USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 58 ASN : amide:sc= -5.79! C(o=-9!,f=-12!) USER MOD Set 1.2: A 60 TYR OH : rot 120:sc= -3.23! USER MOD Set 2.1: A 50 SER OG : rot 140:sc= 0.234 USER MOD Set 2.2: A 54 ASN : amide:sc= -7.72! K(o=-7.5!,f=-1.6) USER MOD Set 3.1: A 8 TYR OH : rot 24:sc= 0.472! USER MOD Set 3.2: A 40 TYR OH : rot -170:sc= 1.69 USER MOD Set 4.1: A 18 SER OG : rot -76:sc= 1.26 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -6.07! C(o=-5.4!,f=-3.9!) USER MOD Set 4.3: A 36 HIS : no HD1:sc= -0.601 K(o=-5.4,f=-3.9) USER MOD Set 5.1: A 10 GLN : amide:sc= -3.98! C(o=-5.9!,f=-14!) USER MOD Set 5.2: A 14 GLN : amide:sc= -1.93! C(o=-5.9!,f=-5.6!) USER MOD Single : A 1 GLU N :NH3+ 165:sc= -0.0487 (180deg=-0.263) USER MOD Single : A 2 SER OG : rot 180:sc= -0.115 USER MOD Single : A 3 LYS NZ :NH3+ 159:sc= -3.22! (180deg=-4.68!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -150:sc= 0 USER MOD Single : A 17 SER OG : rot 100:sc= 1.29 USER MOD Single : A 20 GLN : amide:sc= -0.0828 K(o=-0.083,f=-2.2!) USER MOD Single : A 23 GLN : amide:sc= -1.15 K(o=-1.2,f=-1.7) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -77:sc= 0.0511 USER MOD Single : A 34 THR OG1 : rot -84:sc= -0.957! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 30:sc= -3.47! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.96! K(o=-3!,f=-1.6) USER MOD Single : A 49 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.034) USER MOD Single : A 53 HIS : no HE2:sc= -3.04! C(o=-3!,f=-7.5!) USER MOD Single : A 56 SER OG : rot 80:sc= 0.831 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.116 (180deg=-0.184) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 122:sc= 0.26! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.229 9.658 -9.542 1.00 0.00 N ATOM 2 CA GLU A 1 18.029 9.952 -8.095 1.00 0.00 C ATOM 3 C GLU A 1 16.532 10.034 -7.790 1.00 0.00 C ATOM 4 O GLU A 1 16.117 10.664 -6.837 1.00 0.00 O ATOM 5 CB GLU A 1 18.690 11.289 -7.751 1.00 0.00 C ATOM 6 CG GLU A 1 18.002 12.411 -8.531 1.00 0.00 C ATOM 7 CD GLU A 1 18.051 13.705 -7.718 1.00 0.00 C ATOM 8 OE1 GLU A 1 19.136 14.084 -7.308 1.00 0.00 O ATOM 9 OE2 GLU A 1 17.003 14.298 -7.519 1.00 0.00 O ATOM 0 H1 GLU A 1 19.217 9.851 -9.802 1.00 0.00 H new ATOM 0 H2 GLU A 1 18.011 8.658 -9.726 1.00 0.00 H new ATOM 0 H3 GLU A 1 17.598 10.260 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 1 18.478 9.157 -7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 1 18.618 11.478 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 1 19.751 11.257 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 1 18.495 12.555 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 1 16.967 12.140 -8.741 1.00 0.00 H new ATOM 18 N SER A 2 15.715 9.404 -8.589 1.00 0.00 N ATOM 19 CA SER A 2 14.246 9.453 -8.339 1.00 0.00 C ATOM 20 C SER A 2 13.588 8.189 -8.895 1.00 0.00 C ATOM 21 O SER A 2 14.235 7.184 -9.111 1.00 0.00 O ATOM 22 CB SER A 2 13.654 10.682 -9.029 1.00 0.00 C ATOM 23 OG SER A 2 13.453 10.395 -10.406 1.00 0.00 O ATOM 0 H SER A 2 16.000 8.859 -9.402 1.00 0.00 H new ATOM 0 HA SER A 2 14.063 9.513 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.709 10.956 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.324 11.534 -8.917 1.00 0.00 H new ATOM 0 HG SER A 2 13.072 11.180 -10.852 1.00 0.00 H new ATOM 29 N LYS A 3 12.304 8.231 -9.128 1.00 0.00 N ATOM 30 CA LYS A 3 11.605 7.031 -9.669 1.00 0.00 C ATOM 31 C LYS A 3 11.013 7.359 -11.042 1.00 0.00 C ATOM 32 O LYS A 3 9.826 7.590 -11.164 1.00 0.00 O ATOM 33 CB LYS A 3 10.481 6.623 -8.713 1.00 0.00 C ATOM 34 CG LYS A 3 10.866 5.327 -7.998 1.00 0.00 C ATOM 35 CD LYS A 3 9.770 4.281 -8.209 1.00 0.00 C ATOM 36 CE LYS A 3 10.352 2.885 -7.978 1.00 0.00 C ATOM 37 NZ LYS A 3 9.658 1.904 -8.860 1.00 0.00 N ATOM 0 H LYS A 3 11.709 9.044 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 3 12.316 6.210 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.304 7.414 -7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.552 6.484 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.816 4.956 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.004 5.514 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.943 4.461 -7.522 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.368 4.357 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.421 2.886 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.233 2.598 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.255 1.061 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.752 1.629 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 9.482 2.337 -9.789 1.00 0.00 H new ATOM 51 N PRO A 4 11.863 7.372 -12.037 1.00 0.00 N ATOM 52 CA PRO A 4 11.460 7.671 -13.423 1.00 0.00 C ATOM 53 C PRO A 4 10.655 6.532 -14.101 1.00 0.00 C ATOM 54 O PRO A 4 9.818 6.821 -14.932 1.00 0.00 O ATOM 55 CB PRO A 4 12.789 7.936 -14.139 1.00 0.00 C ATOM 56 CG PRO A 4 13.891 7.261 -13.290 1.00 0.00 C ATOM 57 CD PRO A 4 13.308 7.093 -11.872 1.00 0.00 C ATOM 0 HA PRO A 4 10.773 8.516 -13.463 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.773 7.527 -15.149 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.972 9.006 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.169 6.295 -13.712 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.794 7.872 -13.269 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.478 6.087 -11.488 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.769 7.785 -11.167 1.00 0.00 H new ATOM 65 N PRO A 5 10.904 5.280 -13.760 1.00 0.00 N ATOM 66 CA PRO A 5 10.169 4.158 -14.379 1.00 0.00 C ATOM 67 C PRO A 5 8.752 4.046 -13.804 1.00 0.00 C ATOM 68 O PRO A 5 7.784 4.396 -14.449 1.00 0.00 O ATOM 69 CB PRO A 5 11.006 2.928 -14.019 1.00 0.00 C ATOM 70 CG PRO A 5 11.827 3.316 -12.770 1.00 0.00 C ATOM 71 CD PRO A 5 11.906 4.854 -12.758 1.00 0.00 C ATOM 0 HA PRO A 5 10.043 4.280 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.367 2.069 -13.814 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.661 2.648 -14.844 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.351 2.945 -11.862 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.824 2.877 -12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.677 5.256 -11.771 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.905 5.203 -13.021 1.00 0.00 H new ATOM 79 N TYR A 6 8.618 3.550 -12.603 1.00 0.00 N ATOM 80 CA TYR A 6 7.262 3.408 -12.005 1.00 0.00 C ATOM 81 C TYR A 6 6.819 4.728 -11.382 1.00 0.00 C ATOM 82 O TYR A 6 7.614 5.609 -11.119 1.00 0.00 O ATOM 83 CB TYR A 6 7.295 2.318 -10.934 1.00 0.00 C ATOM 84 CG TYR A 6 7.800 1.026 -11.539 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.882 0.883 -12.933 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.186 -0.028 -10.706 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.351 -0.313 -13.489 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.654 -1.227 -11.262 1.00 0.00 C ATOM 89 CZ TYR A 6 8.737 -1.369 -12.653 1.00 0.00 C ATOM 90 OH TYR A 6 9.197 -2.549 -13.202 1.00 0.00 O ATOM 0 H TYR A 6 9.389 3.238 -12.012 1.00 0.00 H new ATOM 0 HA TYR A 6 6.553 3.135 -12.786 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.941 2.623 -10.111 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.298 2.172 -10.519 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.583 1.697 -13.577 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.124 0.081 -9.633 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.415 -0.422 -14.562 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.951 -2.041 -10.618 1.00 0.00 H new ATOM 0 HH TYR A 6 9.424 -3.177 -12.485 1.00 0.00 H new ATOM 100 N SER A 7 5.547 4.863 -11.149 1.00 0.00 N ATOM 101 CA SER A 7 5.020 6.114 -10.547 1.00 0.00 C ATOM 102 C SER A 7 4.066 5.743 -9.414 1.00 0.00 C ATOM 103 O SER A 7 4.061 4.626 -8.946 1.00 0.00 O ATOM 104 CB SER A 7 4.275 6.903 -11.619 1.00 0.00 C ATOM 105 OG SER A 7 4.782 8.230 -11.667 1.00 0.00 O ATOM 0 H SER A 7 4.843 4.153 -11.352 1.00 0.00 H new ATOM 0 HA SER A 7 5.834 6.724 -10.154 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.394 6.421 -12.589 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.207 6.918 -11.399 1.00 0.00 H new ATOM 0 HG SER A 7 4.071 8.842 -11.953 1.00 0.00 H new ATOM 111 N TYR A 8 3.259 6.658 -8.961 1.00 0.00 N ATOM 112 CA TYR A 8 2.320 6.318 -7.858 1.00 0.00 C ATOM 113 C TYR A 8 0.924 6.063 -8.429 1.00 0.00 C ATOM 114 O TYR A 8 -0.012 6.797 -8.182 1.00 0.00 O ATOM 115 CB TYR A 8 2.293 7.460 -6.841 1.00 0.00 C ATOM 116 CG TYR A 8 3.607 7.486 -6.079 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.618 6.548 -6.360 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.816 8.454 -5.091 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.824 6.583 -5.654 1.00 0.00 C ATOM 120 CE2 TYR A 8 5.026 8.489 -4.386 1.00 0.00 C ATOM 121 CZ TYR A 8 6.029 7.553 -4.668 1.00 0.00 C ATOM 122 OH TYR A 8 7.221 7.587 -3.974 1.00 0.00 O ATOM 0 H TYR A 8 3.208 7.618 -9.302 1.00 0.00 H new ATOM 0 HA TYR A 8 2.655 5.412 -7.354 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.136 8.411 -7.349 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.461 7.327 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.462 5.800 -7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.043 9.176 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.597 5.861 -5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.186 9.238 -3.625 1.00 0.00 H new ATOM 0 HH TYR A 8 7.924 7.163 -4.510 1.00 0.00 H new ATOM 132 N ALA A 9 0.795 5.015 -9.193 1.00 0.00 N ATOM 133 CA ALA A 9 -0.520 4.665 -9.803 1.00 0.00 C ATOM 134 C ALA A 9 -0.339 3.394 -10.638 1.00 0.00 C ATOM 135 O ALA A 9 -1.056 2.426 -10.480 1.00 0.00 O ATOM 136 CB ALA A 9 -0.994 5.808 -10.699 1.00 0.00 C ATOM 0 H ALA A 9 1.556 4.376 -9.425 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.264 4.500 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.955 5.548 -11.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.102 6.715 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.263 5.977 -11.490 1.00 0.00 H new ATOM 142 N GLN A 10 0.645 3.383 -11.496 1.00 0.00 N ATOM 143 CA GLN A 10 0.917 2.170 -12.317 1.00 0.00 C ATOM 144 C GLN A 10 1.820 1.272 -11.487 1.00 0.00 C ATOM 145 O GLN A 10 1.757 0.060 -11.548 1.00 0.00 O ATOM 146 CB GLN A 10 1.625 2.565 -13.616 1.00 0.00 C ATOM 147 CG GLN A 10 2.936 3.281 -13.285 1.00 0.00 C ATOM 148 CD GLN A 10 4.095 2.286 -13.362 1.00 0.00 C ATOM 149 OE1 GLN A 10 4.494 1.722 -12.363 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.656 2.044 -14.515 1.00 0.00 N ATOM 0 H GLN A 10 1.275 4.167 -11.664 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.009 1.660 -12.581 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.824 1.679 -14.218 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.983 3.216 -14.209 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.101 4.102 -13.983 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.883 3.717 -12.287 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.321 2.517 -15.354 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.429 1.382 -14.577 1.00 0.00 H new ATOM 159 N LEU A 11 2.639 1.879 -10.675 1.00 0.00 N ATOM 160 CA LEU A 11 3.533 1.103 -9.784 1.00 0.00 C ATOM 161 C LEU A 11 2.651 0.148 -8.989 1.00 0.00 C ATOM 162 O LEU A 11 3.031 -0.952 -8.640 1.00 0.00 O ATOM 163 CB LEU A 11 4.216 2.079 -8.832 1.00 0.00 C ATOM 164 CG LEU A 11 4.941 1.318 -7.734 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.438 1.410 -7.983 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.614 1.954 -6.384 1.00 0.00 C ATOM 0 H LEU A 11 2.725 2.892 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 11 4.288 0.551 -10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.923 2.701 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.476 2.749 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 11 4.627 0.274 -7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.971 0.868 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.673 0.972 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.745 2.456 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.131 1.413 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.939 2.995 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.539 1.909 -6.212 1.00 0.00 H new ATOM 178 N ILE A 12 1.457 0.585 -8.722 1.00 0.00 N ATOM 179 CA ILE A 12 0.481 -0.250 -7.972 1.00 0.00 C ATOM 180 C ILE A 12 -0.047 -1.346 -8.896 1.00 0.00 C ATOM 181 O ILE A 12 -0.074 -2.509 -8.549 1.00 0.00 O ATOM 182 CB ILE A 12 -0.695 0.616 -7.539 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.200 1.996 -7.082 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.442 -0.064 -6.400 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.928 1.833 -6.058 1.00 0.00 C ATOM 0 H ILE A 12 1.108 1.503 -8.997 1.00 0.00 H new ATOM 0 HA ILE A 12 0.969 -0.686 -7.100 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.367 0.746 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.156 2.567 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.023 2.560 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.282 0.559 -6.093 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.812 -1.033 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.767 -0.205 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.274 2.816 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.558 1.280 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.755 1.287 -6.512 1.00 0.00 H new ATOM 197 N VAL A 13 -0.479 -0.976 -10.072 1.00 0.00 N ATOM 198 CA VAL A 13 -1.016 -1.991 -11.020 1.00 0.00 C ATOM 199 C VAL A 13 -0.024 -3.146 -11.146 1.00 0.00 C ATOM 200 O VAL A 13 -0.404 -4.295 -11.238 1.00 0.00 O ATOM 201 CB VAL A 13 -1.221 -1.365 -12.394 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.911 -2.386 -13.293 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.095 -0.114 -12.269 1.00 0.00 C ATOM 0 H VAL A 13 -0.483 -0.016 -10.416 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.970 -2.358 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.259 -1.080 -12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.066 -1.954 -14.282 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.287 -3.276 -13.379 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.874 -2.659 -12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.238 0.330 -13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.063 -0.387 -11.850 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.606 0.607 -11.614 1.00 0.00 H new ATOM 213 N GLN A 14 1.245 -2.868 -11.137 1.00 0.00 N ATOM 214 CA GLN A 14 2.229 -3.976 -11.227 1.00 0.00 C ATOM 215 C GLN A 14 2.276 -4.660 -9.861 1.00 0.00 C ATOM 216 O GLN A 14 2.684 -5.796 -9.727 1.00 0.00 O ATOM 217 CB GLN A 14 3.607 -3.423 -11.582 1.00 0.00 C ATOM 218 CG GLN A 14 4.012 -2.362 -10.561 1.00 0.00 C ATOM 219 CD GLN A 14 5.401 -1.843 -10.907 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.322 -1.950 -10.120 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.593 -1.284 -12.066 1.00 0.00 N ATOM 0 H GLN A 14 1.642 -1.931 -11.072 1.00 0.00 H new ATOM 0 HA GLN A 14 1.939 -4.686 -12.002 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.341 -4.229 -11.595 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.590 -2.991 -12.583 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.293 -1.543 -10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.008 -2.786 -9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.819 -1.196 -12.724 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.518 -0.934 -12.317 1.00 0.00 H new ATOM 230 N ALA A 15 1.844 -3.958 -8.845 1.00 0.00 N ATOM 231 CA ALA A 15 1.834 -4.531 -7.474 1.00 0.00 C ATOM 232 C ALA A 15 0.771 -5.628 -7.387 1.00 0.00 C ATOM 233 O ALA A 15 1.088 -6.792 -7.241 1.00 0.00 O ATOM 234 CB ALA A 15 1.510 -3.430 -6.465 1.00 0.00 C ATOM 0 H ALA A 15 1.495 -3.002 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 15 2.813 -4.954 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.502 -3.849 -5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.266 -2.647 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.531 -3.008 -6.689 1.00 0.00 H new ATOM 240 N ILE A 16 -0.491 -5.279 -7.466 1.00 0.00 N ATOM 241 CA ILE A 16 -1.536 -6.344 -7.373 1.00 0.00 C ATOM 242 C ILE A 16 -1.399 -7.324 -8.538 1.00 0.00 C ATOM 243 O ILE A 16 -1.891 -8.434 -8.488 1.00 0.00 O ATOM 244 CB ILE A 16 -2.952 -5.766 -7.385 1.00 0.00 C ATOM 245 CG1 ILE A 16 -3.086 -4.549 -8.307 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.345 -5.353 -5.969 1.00 0.00 C ATOM 247 CD1 ILE A 16 -2.267 -4.721 -9.573 1.00 0.00 C ATOM 0 H ILE A 16 -0.836 -4.327 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.380 -6.856 -6.424 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.612 -6.546 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.134 -4.401 -8.567 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.759 -3.653 -7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.354 -4.941 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.314 -6.224 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.648 -4.599 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.384 -3.840 -10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.216 -4.843 -9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.612 -5.603 -10.112 1.00 0.00 H new ATOM 259 N SER A 17 -0.735 -6.929 -9.584 1.00 0.00 N ATOM 260 CA SER A 17 -0.569 -7.844 -10.746 1.00 0.00 C ATOM 261 C SER A 17 0.089 -9.126 -10.253 1.00 0.00 C ATOM 262 O SER A 17 0.040 -10.155 -10.898 1.00 0.00 O ATOM 263 CB SER A 17 0.314 -7.187 -11.811 1.00 0.00 C ATOM 264 OG SER A 17 -0.507 -6.459 -12.716 1.00 0.00 O ATOM 0 H SER A 17 -0.299 -6.012 -9.686 1.00 0.00 H new ATOM 0 HA SER A 17 -1.541 -8.063 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.037 -6.520 -11.340 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.883 -7.946 -12.348 1.00 0.00 H new ATOM 0 HG SER A 17 -0.484 -5.507 -12.485 1.00 0.00 H new ATOM 270 N SER A 18 0.696 -9.070 -9.101 1.00 0.00 N ATOM 271 CA SER A 18 1.352 -10.281 -8.545 1.00 0.00 C ATOM 272 C SER A 18 0.374 -10.988 -7.606 1.00 0.00 C ATOM 273 O SER A 18 0.544 -12.143 -7.272 1.00 0.00 O ATOM 274 CB SER A 18 2.604 -9.874 -7.769 1.00 0.00 C ATOM 275 OG SER A 18 2.240 -8.977 -6.728 1.00 0.00 O ATOM 0 H SER A 18 0.765 -8.234 -8.520 1.00 0.00 H new ATOM 0 HA SER A 18 1.636 -10.952 -9.355 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.090 -10.756 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.323 -9.401 -8.438 1.00 0.00 H new ATOM 0 HG SER A 18 2.063 -8.091 -7.107 1.00 0.00 H new ATOM 281 N ALA A 19 -0.656 -10.303 -7.179 1.00 0.00 N ATOM 282 CA ALA A 19 -1.642 -10.944 -6.264 1.00 0.00 C ATOM 283 C ALA A 19 -2.265 -12.159 -6.960 1.00 0.00 C ATOM 284 O ALA A 19 -2.502 -12.149 -8.150 1.00 0.00 O ATOM 285 CB ALA A 19 -2.740 -9.939 -5.910 1.00 0.00 C ATOM 0 H ALA A 19 -0.855 -9.333 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.138 -11.265 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.461 -10.408 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.296 -9.074 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.246 -9.617 -6.820 1.00 0.00 H new ATOM 291 N GLN A 20 -2.528 -13.208 -6.228 1.00 0.00 N ATOM 292 CA GLN A 20 -3.131 -14.417 -6.853 1.00 0.00 C ATOM 293 C GLN A 20 -4.357 -14.013 -7.675 1.00 0.00 C ATOM 294 O GLN A 20 -4.454 -14.314 -8.848 1.00 0.00 O ATOM 295 CB GLN A 20 -3.546 -15.405 -5.761 1.00 0.00 C ATOM 296 CG GLN A 20 -3.964 -16.730 -6.401 1.00 0.00 C ATOM 297 CD GLN A 20 -3.825 -17.858 -5.379 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.454 -17.624 -4.245 1.00 0.00 O ATOM 299 NE2 GLN A 20 -4.107 -19.081 -5.734 1.00 0.00 N ATOM 0 H GLN A 20 -2.351 -13.279 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.399 -14.889 -7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.719 -15.568 -5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.371 -14.994 -5.179 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.994 -16.668 -6.751 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.343 -16.937 -7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.418 -19.277 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.016 -19.841 -5.060 1.00 0.00 H new ATOM 308 N ASP A 21 -5.295 -13.333 -7.074 1.00 0.00 N ATOM 309 CA ASP A 21 -6.507 -12.916 -7.831 1.00 0.00 C ATOM 310 C ASP A 21 -6.279 -11.533 -8.450 1.00 0.00 C ATOM 311 O ASP A 21 -6.020 -11.410 -9.631 1.00 0.00 O ATOM 312 CB ASP A 21 -7.711 -12.873 -6.887 1.00 0.00 C ATOM 313 CG ASP A 21 -8.121 -14.301 -6.523 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.252 -15.064 -6.131 1.00 0.00 O ATOM 315 OD2 ASP A 21 -9.295 -14.608 -6.644 1.00 0.00 O ATOM 0 H ASP A 21 -5.274 -13.049 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.702 -13.634 -8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.461 -12.314 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.543 -12.354 -7.364 1.00 0.00 H new ATOM 320 N ARG A 22 -6.373 -10.491 -7.669 1.00 0.00 N ATOM 321 CA ARG A 22 -6.159 -9.124 -8.226 1.00 0.00 C ATOM 322 C ARG A 22 -6.353 -8.078 -7.122 1.00 0.00 C ATOM 323 O ARG A 22 -6.813 -6.978 -7.367 1.00 0.00 O ATOM 324 CB ARG A 22 -7.159 -8.869 -9.356 1.00 0.00 C ATOM 325 CG ARG A 22 -6.425 -8.891 -10.699 1.00 0.00 C ATOM 326 CD ARG A 22 -7.398 -9.285 -11.812 1.00 0.00 C ATOM 327 NE ARG A 22 -7.959 -10.635 -11.528 1.00 0.00 N ATOM 328 CZ ARG A 22 -9.252 -10.805 -11.466 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.006 -9.878 -10.943 1.00 0.00 N ATOM 330 NH2 ARG A 22 -9.791 -11.900 -11.931 1.00 0.00 N ATOM 0 H ARG A 22 -6.588 -10.526 -6.673 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.144 -9.050 -8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.940 -9.629 -9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.649 -7.906 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.998 -7.910 -10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.596 -9.598 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.202 -8.553 -11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.885 -9.288 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.333 -11.427 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.585 -9.021 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.016 -10.010 -10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.202 -12.623 -12.343 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.801 -12.032 -11.882 1.00 0.00 H new ATOM 344 N GLN A 23 -6.004 -8.411 -5.908 1.00 0.00 N ATOM 345 CA GLN A 23 -6.166 -7.438 -4.789 1.00 0.00 C ATOM 346 C GLN A 23 -4.891 -7.422 -3.942 1.00 0.00 C ATOM 347 O GLN A 23 -4.088 -8.332 -3.998 1.00 0.00 O ATOM 348 CB GLN A 23 -7.352 -7.857 -3.917 1.00 0.00 C ATOM 349 CG GLN A 23 -7.200 -9.326 -3.518 1.00 0.00 C ATOM 350 CD GLN A 23 -8.502 -10.074 -3.815 1.00 0.00 C ATOM 351 OE1 GLN A 23 -8.482 -11.233 -4.176 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.642 -9.453 -3.676 1.00 0.00 N ATOM 0 H GLN A 23 -5.614 -9.315 -5.643 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.347 -6.443 -5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.401 -7.231 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.286 -7.712 -4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.375 -9.779 -4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.958 -9.403 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.659 -8.479 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.516 -9.942 -3.871 1.00 0.00 H new ATOM 361 N LEU A 24 -4.696 -6.397 -3.155 1.00 0.00 N ATOM 362 CA LEU A 24 -3.470 -6.336 -2.313 1.00 0.00 C ATOM 363 C LEU A 24 -3.786 -5.645 -0.990 1.00 0.00 C ATOM 364 O LEU A 24 -4.564 -4.714 -0.935 1.00 0.00 O ATOM 365 CB LEU A 24 -2.387 -5.527 -3.028 1.00 0.00 C ATOM 366 CG LEU A 24 -1.417 -6.477 -3.734 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.285 -5.670 -4.373 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.830 -7.453 -2.712 1.00 0.00 C ATOM 0 H LEU A 24 -5.330 -5.604 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.121 -7.353 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.842 -4.852 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.848 -4.908 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.949 -7.032 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.406 -6.347 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.701 -4.971 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.248 -5.116 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.139 -8.131 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.298 -6.896 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.635 -8.028 -2.254 1.00 0.00 H new ATOM 380 N THR A 25 -3.160 -6.067 0.070 1.00 0.00 N ATOM 381 CA THR A 25 -3.398 -5.399 1.374 1.00 0.00 C ATOM 382 C THR A 25 -2.573 -4.117 1.377 1.00 0.00 C ATOM 383 O THR A 25 -1.650 -3.972 0.602 1.00 0.00 O ATOM 384 CB THR A 25 -2.945 -6.310 2.517 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.525 -6.355 2.549 1.00 0.00 O ATOM 386 CG2 THR A 25 -3.499 -7.720 2.299 1.00 0.00 C ATOM 0 H THR A 25 -2.497 -6.842 0.089 1.00 0.00 H new ATOM 0 HA THR A 25 -4.457 -5.182 1.512 1.00 0.00 H new ATOM 0 HB THR A 25 -3.318 -5.919 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.233 -6.937 3.282 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.176 -8.368 3.114 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.588 -7.683 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.128 -8.114 1.353 1.00 0.00 H new ATOM 394 N LEU A 26 -2.887 -3.175 2.216 1.00 0.00 N ATOM 395 CA LEU A 26 -2.094 -1.916 2.208 1.00 0.00 C ATOM 396 C LEU A 26 -0.605 -2.260 2.261 1.00 0.00 C ATOM 397 O LEU A 26 0.224 -1.539 1.748 1.00 0.00 O ATOM 398 CB LEU A 26 -2.463 -1.037 3.407 1.00 0.00 C ATOM 399 CG LEU A 26 -3.306 0.142 2.920 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.608 0.203 3.719 1.00 0.00 C ATOM 401 CD2 LEU A 26 -2.524 1.443 3.118 1.00 0.00 C ATOM 0 H LEU A 26 -3.645 -3.218 2.897 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.316 -1.364 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.018 -1.618 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.561 -0.676 3.901 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.535 0.013 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.209 1.044 3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.165 -0.724 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.380 0.333 4.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.124 2.284 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.295 1.572 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.596 1.400 2.548 1.00 0.00 H new ATOM 413 N SER A 27 -0.254 -3.361 2.866 1.00 0.00 N ATOM 414 CA SER A 27 1.185 -3.742 2.938 1.00 0.00 C ATOM 415 C SER A 27 1.518 -4.724 1.810 1.00 0.00 C ATOM 416 O SER A 27 2.471 -5.474 1.890 1.00 0.00 O ATOM 417 CB SER A 27 1.467 -4.407 4.285 1.00 0.00 C ATOM 418 OG SER A 27 1.250 -3.468 5.332 1.00 0.00 O ATOM 0 H SER A 27 -0.900 -4.012 3.313 1.00 0.00 H new ATOM 0 HA SER A 27 1.799 -2.848 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.818 -5.273 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.494 -4.771 4.315 1.00 0.00 H new ATOM 0 HG SER A 27 1.429 -3.894 6.196 1.00 0.00 H new ATOM 424 N GLY A 28 0.758 -4.710 0.748 1.00 0.00 N ATOM 425 CA GLY A 28 1.049 -5.623 -0.391 1.00 0.00 C ATOM 426 C GLY A 28 1.744 -4.801 -1.460 1.00 0.00 C ATOM 427 O GLY A 28 2.829 -5.108 -1.910 1.00 0.00 O ATOM 0 H GLY A 28 -0.053 -4.104 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.682 -6.450 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.129 -6.059 -0.779 1.00 0.00 H new ATOM 431 N ILE A 29 1.115 -3.731 -1.838 1.00 0.00 N ATOM 432 CA ILE A 29 1.693 -2.824 -2.846 1.00 0.00 C ATOM 433 C ILE A 29 3.074 -2.398 -2.360 1.00 0.00 C ATOM 434 O ILE A 29 3.972 -2.130 -3.132 1.00 0.00 O ATOM 435 CB ILE A 29 0.763 -1.620 -2.979 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.101 -0.848 -4.248 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.913 -0.706 -1.766 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.496 -0.262 -4.107 1.00 0.00 C ATOM 0 H ILE A 29 0.204 -3.444 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 29 1.794 -3.305 -3.819 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.267 -1.972 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.054 -1.507 -5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.373 -0.054 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.246 0.150 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.657 -1.257 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.943 -0.357 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.750 0.294 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.524 0.409 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.216 -1.067 -3.962 1.00 0.00 H new ATOM 450 N TYR A 30 3.241 -2.355 -1.072 1.00 0.00 N ATOM 451 CA TYR A 30 4.560 -1.966 -0.493 1.00 0.00 C ATOM 452 C TYR A 30 5.507 -3.164 -0.537 1.00 0.00 C ATOM 453 O TYR A 30 6.592 -3.088 -1.080 1.00 0.00 O ATOM 454 CB TYR A 30 4.361 -1.512 0.954 1.00 0.00 C ATOM 455 CG TYR A 30 3.275 -0.465 0.982 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.079 0.352 -0.132 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.462 -0.317 2.109 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.074 1.315 -0.126 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.452 0.652 2.114 1.00 0.00 C ATOM 460 CZ TYR A 30 1.257 1.468 0.996 1.00 0.00 C ATOM 461 OH TYR A 30 0.261 2.422 1.000 1.00 0.00 O ATOM 0 H TYR A 30 2.517 -2.574 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 30 4.991 -1.149 -1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.087 -2.359 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.290 -1.105 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.709 0.237 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.612 -0.948 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.926 1.945 -0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.822 0.769 2.983 1.00 0.00 H new ATOM 0 HH TYR A 30 0.657 3.308 1.140 1.00 0.00 H new ATOM 471 N ALA A 31 5.105 -4.276 0.013 1.00 0.00 N ATOM 472 CA ALA A 31 5.986 -5.476 -0.021 1.00 0.00 C ATOM 473 C ALA A 31 6.314 -5.795 -1.481 1.00 0.00 C ATOM 474 O ALA A 31 7.250 -6.511 -1.779 1.00 0.00 O ATOM 475 CB ALA A 31 5.262 -6.663 0.617 1.00 0.00 C ATOM 0 H ALA A 31 4.209 -4.405 0.482 1.00 0.00 H new ATOM 0 HA ALA A 31 6.904 -5.283 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.909 -7.540 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.015 -6.425 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.346 -6.871 0.064 1.00 0.00 H new ATOM 481 N HIS A 32 5.545 -5.261 -2.391 1.00 0.00 N ATOM 482 CA HIS A 32 5.794 -5.515 -3.835 1.00 0.00 C ATOM 483 C HIS A 32 7.004 -4.694 -4.300 1.00 0.00 C ATOM 484 O HIS A 32 8.030 -5.234 -4.663 1.00 0.00 O ATOM 485 CB HIS A 32 4.552 -5.099 -4.628 1.00 0.00 C ATOM 486 CG HIS A 32 4.817 -5.251 -6.100 1.00 0.00 C ATOM 487 ND1 HIS A 32 4.458 -6.391 -6.803 1.00 0.00 N ATOM 488 CD2 HIS A 32 5.399 -4.412 -7.019 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.825 -6.209 -8.084 1.00 0.00 C ATOM 490 NE2 HIS A 32 5.403 -5.019 -8.270 1.00 0.00 N ATOM 0 H HIS A 32 4.749 -4.655 -2.192 1.00 0.00 H new ATOM 0 HA HIS A 32 6.000 -6.573 -3.997 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.700 -5.713 -4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.292 -4.065 -4.400 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.793 -3.430 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.671 -6.937 -8.867 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.769 -4.638 -9.142 1.00 0.00 H new ATOM 498 N ILE A 33 6.889 -3.393 -4.291 1.00 0.00 N ATOM 499 CA ILE A 33 8.028 -2.531 -4.732 1.00 0.00 C ATOM 500 C ILE A 33 9.253 -2.799 -3.857 1.00 0.00 C ATOM 501 O ILE A 33 10.373 -2.815 -4.320 1.00 0.00 O ATOM 502 CB ILE A 33 7.625 -1.057 -4.599 1.00 0.00 C ATOM 503 CG1 ILE A 33 8.556 -0.195 -5.457 1.00 0.00 C ATOM 504 CG2 ILE A 33 7.720 -0.614 -3.133 1.00 0.00 C ATOM 505 CD1 ILE A 33 8.401 1.279 -5.069 1.00 0.00 C ATOM 0 H ILE A 33 6.054 -2.887 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 33 8.271 -2.758 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 33 6.597 -0.936 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.590 -0.511 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.321 -0.329 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.432 0.434 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.052 -1.223 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.744 -0.737 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.065 1.888 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.369 1.591 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.658 1.407 -4.018 1.00 0.00 H new ATOM 517 N THR A 34 9.045 -2.987 -2.587 1.00 0.00 N ATOM 518 CA THR A 34 10.194 -3.233 -1.670 1.00 0.00 C ATOM 519 C THR A 34 10.877 -4.559 -2.019 1.00 0.00 C ATOM 520 O THR A 34 12.084 -4.679 -1.952 1.00 0.00 O ATOM 521 CB THR A 34 9.689 -3.287 -0.227 1.00 0.00 C ATOM 522 OG1 THR A 34 8.619 -4.216 -0.134 1.00 0.00 O ATOM 523 CG2 THR A 34 9.202 -1.900 0.200 1.00 0.00 C ATOM 0 H THR A 34 8.128 -2.981 -2.141 1.00 0.00 H new ATOM 0 HA THR A 34 10.915 -2.423 -1.780 1.00 0.00 H new ATOM 0 HB THR A 34 10.501 -3.601 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.781 -3.777 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.843 -1.941 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.025 -1.188 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.391 -1.581 -0.455 1.00 0.00 H new ATOM 531 N LYS A 35 10.119 -5.561 -2.373 1.00 0.00 N ATOM 532 CA LYS A 35 10.734 -6.880 -2.704 1.00 0.00 C ATOM 533 C LYS A 35 11.156 -6.924 -4.177 1.00 0.00 C ATOM 534 O LYS A 35 12.045 -7.663 -4.552 1.00 0.00 O ATOM 535 CB LYS A 35 9.715 -7.991 -2.439 1.00 0.00 C ATOM 536 CG LYS A 35 10.393 -9.355 -2.580 1.00 0.00 C ATOM 537 CD LYS A 35 9.518 -10.429 -1.930 1.00 0.00 C ATOM 538 CE LYS A 35 10.252 -11.770 -1.951 1.00 0.00 C ATOM 539 NZ LYS A 35 9.437 -12.794 -1.235 1.00 0.00 N ATOM 0 H LYS A 35 9.102 -5.524 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 35 11.617 -7.022 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.297 -7.883 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.885 -7.912 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.551 -9.588 -3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.375 -9.336 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.282 -10.148 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.571 -10.513 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.428 -12.084 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.228 -11.670 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.936 -13.706 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.291 -12.494 -0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.516 -12.896 -1.706 1.00 0.00 H new ATOM 553 N HIS A 36 10.521 -6.156 -5.021 1.00 0.00 N ATOM 554 CA HIS A 36 10.890 -6.185 -6.467 1.00 0.00 C ATOM 555 C HIS A 36 11.718 -4.951 -6.831 1.00 0.00 C ATOM 556 O HIS A 36 12.466 -4.957 -7.788 1.00 0.00 O ATOM 557 CB HIS A 36 9.616 -6.199 -7.313 1.00 0.00 C ATOM 558 CG HIS A 36 8.854 -7.469 -7.052 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.466 -8.712 -7.064 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.532 -7.705 -6.770 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.521 -9.632 -6.795 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.323 -9.071 -6.607 1.00 0.00 N ATOM 0 H HIS A 36 9.768 -5.514 -4.775 1.00 0.00 H new ATOM 0 HA HIS A 36 11.481 -7.080 -6.662 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.997 -5.335 -7.072 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.868 -6.125 -8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.769 -6.945 -6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.708 -10.694 -6.738 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.445 -9.542 -6.391 1.00 0.00 H new ATOM 570 N TYR A 37 11.582 -3.890 -6.088 1.00 0.00 N ATOM 571 CA TYR A 37 12.353 -2.658 -6.409 1.00 0.00 C ATOM 572 C TYR A 37 13.368 -2.368 -5.293 1.00 0.00 C ATOM 573 O TYR A 37 12.991 -2.199 -4.150 1.00 0.00 O ATOM 574 CB TYR A 37 11.383 -1.482 -6.538 1.00 0.00 C ATOM 575 CG TYR A 37 11.585 -0.819 -7.874 1.00 0.00 C ATOM 576 CD1 TYR A 37 11.139 -1.453 -9.037 1.00 0.00 C ATOM 577 CD2 TYR A 37 12.222 0.423 -7.951 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.328 -0.844 -10.281 1.00 0.00 C ATOM 579 CE2 TYR A 37 12.412 1.033 -9.196 1.00 0.00 C ATOM 580 CZ TYR A 37 11.966 0.399 -10.361 1.00 0.00 C ATOM 581 OH TYR A 37 12.153 1.001 -11.589 1.00 0.00 O ATOM 0 H TYR A 37 10.972 -3.822 -5.274 1.00 0.00 H new ATOM 0 HA TYR A 37 12.890 -2.800 -7.347 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.355 -1.831 -6.443 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.552 -0.766 -5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.648 -2.413 -8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.567 0.911 -7.051 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.982 -1.332 -11.180 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.903 1.993 -9.258 1.00 0.00 H new ATOM 0 HH TYR A 37 11.431 0.736 -12.197 1.00 0.00 H new ATOM 591 N PRO A 38 14.629 -2.317 -5.657 1.00 0.00 N ATOM 592 CA PRO A 38 15.722 -2.048 -4.703 1.00 0.00 C ATOM 593 C PRO A 38 15.815 -0.549 -4.405 1.00 0.00 C ATOM 594 O PRO A 38 16.328 -0.142 -3.380 1.00 0.00 O ATOM 595 CB PRO A 38 16.972 -2.527 -5.441 1.00 0.00 C ATOM 596 CG PRO A 38 16.623 -2.503 -6.948 1.00 0.00 C ATOM 597 CD PRO A 38 15.086 -2.525 -7.046 1.00 0.00 C ATOM 0 HA PRO A 38 15.581 -2.544 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.822 -1.878 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.251 -3.531 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.029 -1.611 -7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.056 -3.363 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.718 -1.741 -7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.726 -3.473 -7.445 1.00 0.00 H new ATOM 605 N TYR A 39 15.327 0.278 -5.289 1.00 0.00 N ATOM 606 CA TYR A 39 15.393 1.745 -5.047 1.00 0.00 C ATOM 607 C TYR A 39 14.646 2.069 -3.755 1.00 0.00 C ATOM 608 O TYR A 39 14.990 2.988 -3.039 1.00 0.00 O ATOM 609 CB TYR A 39 14.741 2.490 -6.215 1.00 0.00 C ATOM 610 CG TYR A 39 14.787 3.976 -5.954 1.00 0.00 C ATOM 611 CD1 TYR A 39 15.999 4.668 -6.058 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.616 4.663 -5.610 1.00 0.00 C ATOM 613 CE1 TYR A 39 16.042 6.046 -5.818 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.658 6.043 -5.372 1.00 0.00 C ATOM 615 CZ TYR A 39 14.871 6.734 -5.476 1.00 0.00 C ATOM 616 OH TYR A 39 14.913 8.094 -5.241 1.00 0.00 O ATOM 0 H TYR A 39 14.887 0.001 -6.166 1.00 0.00 H new ATOM 0 HA TYR A 39 16.434 2.056 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 39 15.261 2.257 -7.144 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.708 2.163 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 39 16.902 4.138 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 39 12.681 4.129 -5.528 1.00 0.00 H new ATOM 0 HE1 TYR A 39 16.978 6.579 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.755 6.573 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 39 14.015 8.415 -5.017 1.00 0.00 H new ATOM 626 N TYR A 40 13.629 1.312 -3.451 1.00 0.00 N ATOM 627 CA TYR A 40 12.858 1.561 -2.204 1.00 0.00 C ATOM 628 C TYR A 40 13.484 0.758 -1.058 1.00 0.00 C ATOM 629 O TYR A 40 13.707 -0.430 -1.177 1.00 0.00 O ATOM 630 CB TYR A 40 11.409 1.114 -2.409 1.00 0.00 C ATOM 631 CG TYR A 40 10.597 2.276 -2.926 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.801 2.752 -4.229 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.646 2.883 -2.100 1.00 0.00 C ATOM 634 CE1 TYR A 40 10.049 3.833 -4.703 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.897 3.967 -2.573 1.00 0.00 C ATOM 636 CZ TYR A 40 9.098 4.442 -3.874 1.00 0.00 C ATOM 637 OH TYR A 40 8.360 5.510 -4.340 1.00 0.00 O ATOM 0 H TYR A 40 13.298 0.529 -4.015 1.00 0.00 H new ATOM 0 HA TYR A 40 12.880 2.623 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.369 0.285 -3.115 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.991 0.753 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.538 2.285 -4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.489 2.515 -1.097 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.202 4.198 -5.708 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.164 4.437 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 40 7.866 5.915 -3.597 1.00 0.00 H new ATOM 647 N ARG A 41 13.777 1.388 0.049 1.00 0.00 N ATOM 648 CA ARG A 41 14.391 0.637 1.180 1.00 0.00 C ATOM 649 C ARG A 41 14.604 1.573 2.373 1.00 0.00 C ATOM 650 O ARG A 41 14.001 1.410 3.416 1.00 0.00 O ATOM 651 CB ARG A 41 15.740 0.067 0.735 1.00 0.00 C ATOM 652 CG ARG A 41 16.475 -0.514 1.944 1.00 0.00 C ATOM 653 CD ARG A 41 17.594 -1.441 1.464 1.00 0.00 C ATOM 654 NE ARG A 41 18.674 -1.487 2.490 1.00 0.00 N ATOM 655 CZ ARG A 41 19.926 -1.465 2.120 1.00 0.00 C ATOM 656 NH1 ARG A 41 20.416 -0.405 1.538 1.00 0.00 N ATOM 657 NH2 ARG A 41 20.687 -2.503 2.334 1.00 0.00 N ATOM 0 H ARG A 41 13.619 2.382 0.217 1.00 0.00 H new ATOM 0 HA ARG A 41 13.726 -0.175 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.589 -0.707 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.342 0.849 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.890 0.290 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.778 -1.064 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.201 -2.443 1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.994 -1.085 0.515 1.00 0.00 H new ATOM 0 HE ARG A 41 18.435 -1.536 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.821 0.407 1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.394 -0.388 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.304 -3.331 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.665 -2.486 2.045 1.00 0.00 H new ATOM 671 N THR A 42 15.462 2.546 2.233 1.00 0.00 N ATOM 672 CA THR A 42 15.717 3.481 3.365 1.00 0.00 C ATOM 673 C THR A 42 14.947 4.788 3.147 1.00 0.00 C ATOM 674 O THR A 42 15.506 5.865 3.211 1.00 0.00 O ATOM 675 CB THR A 42 17.215 3.777 3.448 1.00 0.00 C ATOM 676 OG1 THR A 42 17.815 3.532 2.182 1.00 0.00 O ATOM 677 CG2 THR A 42 17.857 2.872 4.501 1.00 0.00 C ATOM 0 H THR A 42 15.997 2.734 1.385 1.00 0.00 H new ATOM 0 HA THR A 42 15.381 3.021 4.295 1.00 0.00 H new ATOM 0 HB THR A 42 17.365 4.820 3.727 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.775 3.723 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.925 3.083 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.396 3.059 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.708 1.828 4.223 1.00 0.00 H new ATOM 685 N ALA A 43 13.668 4.702 2.898 1.00 0.00 N ATOM 686 CA ALA A 43 12.866 5.941 2.684 1.00 0.00 C ATOM 687 C ALA A 43 11.409 5.558 2.399 1.00 0.00 C ATOM 688 O ALA A 43 11.123 4.843 1.461 1.00 0.00 O ATOM 689 CB ALA A 43 13.428 6.717 1.492 1.00 0.00 C ATOM 0 H ALA A 43 13.145 3.829 2.834 1.00 0.00 H new ATOM 0 HA ALA A 43 12.915 6.564 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.840 7.622 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.465 6.987 1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.379 6.096 0.598 1.00 0.00 H new ATOM 695 N ASP A 44 10.482 6.026 3.196 1.00 0.00 N ATOM 696 CA ASP A 44 9.054 5.678 2.949 1.00 0.00 C ATOM 697 C ASP A 44 8.158 6.829 3.405 1.00 0.00 C ATOM 698 O ASP A 44 6.966 6.672 3.572 1.00 0.00 O ATOM 699 CB ASP A 44 8.694 4.413 3.732 1.00 0.00 C ATOM 700 CG ASP A 44 9.055 4.605 5.206 1.00 0.00 C ATOM 701 OD1 ASP A 44 8.839 5.695 5.710 1.00 0.00 O ATOM 702 OD2 ASP A 44 9.541 3.660 5.804 1.00 0.00 O ATOM 0 H ASP A 44 10.652 6.629 4.001 1.00 0.00 H new ATOM 0 HA ASP A 44 8.905 5.503 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.629 4.201 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.229 3.555 3.324 1.00 0.00 H new ATOM 707 N LYS A 45 8.722 7.987 3.606 1.00 0.00 N ATOM 708 CA LYS A 45 7.901 9.148 4.050 1.00 0.00 C ATOM 709 C LYS A 45 7.292 9.838 2.828 1.00 0.00 C ATOM 710 O LYS A 45 7.581 10.983 2.544 1.00 0.00 O ATOM 711 CB LYS A 45 8.788 10.141 4.803 1.00 0.00 C ATOM 712 CG LYS A 45 9.485 9.429 5.964 1.00 0.00 C ATOM 713 CD LYS A 45 8.731 9.714 7.264 1.00 0.00 C ATOM 714 CE LYS A 45 9.656 9.457 8.455 1.00 0.00 C ATOM 715 NZ LYS A 45 8.838 9.255 9.685 1.00 0.00 N ATOM 0 H LYS A 45 9.716 8.180 3.482 1.00 0.00 H new ATOM 0 HA LYS A 45 7.104 8.799 4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.529 10.567 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.187 10.969 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.519 8.355 5.779 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.517 9.771 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.383 10.747 7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.848 9.079 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.273 8.578 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.334 10.299 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.466 9.080 10.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.268 10.106 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.208 8.438 9.553 1.00 0.00 H new ATOM 729 N GLY A 46 6.448 9.156 2.101 1.00 0.00 N ATOM 730 CA GLY A 46 5.830 9.789 0.902 1.00 0.00 C ATOM 731 C GLY A 46 4.864 8.809 0.229 1.00 0.00 C ATOM 732 O GLY A 46 3.662 8.914 0.370 1.00 0.00 O ATOM 0 H GLY A 46 6.162 8.194 2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.298 10.695 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.607 10.088 0.198 1.00 0.00 H new ATOM 736 N TRP A 47 5.380 7.869 -0.515 1.00 0.00 N ATOM 737 CA TRP A 47 4.493 6.894 -1.213 1.00 0.00 C ATOM 738 C TRP A 47 3.659 6.109 -0.196 1.00 0.00 C ATOM 739 O TRP A 47 2.554 5.693 -0.480 1.00 0.00 O ATOM 740 CB TRP A 47 5.350 5.924 -2.032 1.00 0.00 C ATOM 741 CG TRP A 47 6.034 4.957 -1.120 1.00 0.00 C ATOM 742 CD1 TRP A 47 6.785 5.296 -0.047 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.048 3.502 -1.184 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.253 4.142 0.555 1.00 0.00 N ATOM 745 CE2 TRP A 47 6.827 3.011 -0.109 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.464 2.569 -2.059 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.023 1.644 0.088 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.659 1.191 -1.863 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.436 0.731 -0.791 1.00 0.00 C ATOM 0 H TRP A 47 6.379 7.734 -0.670 1.00 0.00 H new ATOM 0 HA TRP A 47 3.818 7.438 -1.874 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.725 5.386 -2.745 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.090 6.478 -2.611 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.986 6.304 0.285 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.841 4.129 1.388 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.862 2.913 -2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.624 1.294 0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.208 0.483 -2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.581 -0.329 -0.645 1.00 0.00 H new ATOM 760 N GLN A 48 4.175 5.895 0.984 1.00 0.00 N ATOM 761 CA GLN A 48 3.402 5.129 2.003 1.00 0.00 C ATOM 762 C GLN A 48 1.958 5.631 2.022 1.00 0.00 C ATOM 763 O GLN A 48 1.051 4.954 1.579 1.00 0.00 O ATOM 764 CB GLN A 48 4.032 5.328 3.382 1.00 0.00 C ATOM 765 CG GLN A 48 3.683 4.138 4.280 1.00 0.00 C ATOM 766 CD GLN A 48 4.143 2.839 3.613 1.00 0.00 C ATOM 767 OE1 GLN A 48 3.664 1.771 3.941 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.062 2.884 2.686 1.00 0.00 N ATOM 0 H GLN A 48 5.095 6.216 1.286 1.00 0.00 H new ATOM 0 HA GLN A 48 3.417 4.069 1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.114 5.422 3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.669 6.253 3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.164 4.250 5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.608 4.107 4.458 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.465 3.780 2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.377 2.024 2.238 1.00 0.00 H new ATOM 777 N ASN A 49 1.737 6.811 2.526 1.00 0.00 N ATOM 778 CA ASN A 49 0.352 7.354 2.567 1.00 0.00 C ATOM 779 C ASN A 49 -0.113 7.661 1.142 1.00 0.00 C ATOM 780 O ASN A 49 -1.288 7.813 0.881 1.00 0.00 O ATOM 781 CB ASN A 49 0.333 8.638 3.399 1.00 0.00 C ATOM 782 CG ASN A 49 0.866 8.348 4.805 1.00 0.00 C ATOM 783 OD1 ASN A 49 1.271 9.252 5.511 1.00 0.00 O ATOM 784 ND2 ASN A 49 0.884 7.119 5.246 1.00 0.00 N ATOM 0 H ASN A 49 2.456 7.424 2.912 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.316 6.620 3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.943 9.403 2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.682 9.030 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.237 6.918 6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.545 6.360 4.655 1.00 0.00 H new ATOM 791 N SER A 50 0.804 7.755 0.218 1.00 0.00 N ATOM 792 CA SER A 50 0.418 8.054 -1.189 1.00 0.00 C ATOM 793 C SER A 50 -0.330 6.859 -1.784 1.00 0.00 C ATOM 794 O SER A 50 -1.480 6.964 -2.158 1.00 0.00 O ATOM 795 CB SER A 50 1.674 8.333 -2.016 1.00 0.00 C ATOM 796 OG SER A 50 1.357 9.242 -3.062 1.00 0.00 O ATOM 0 H SER A 50 1.805 7.637 0.378 1.00 0.00 H new ATOM 0 HA SER A 50 -0.230 8.930 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.456 8.750 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.063 7.404 -2.432 1.00 0.00 H new ATOM 0 HG SER A 50 2.088 9.886 -3.168 1.00 0.00 H new ATOM 802 N ILE A 51 0.311 5.724 -1.878 1.00 0.00 N ATOM 803 CA ILE A 51 -0.375 4.531 -2.454 1.00 0.00 C ATOM 804 C ILE A 51 -1.785 4.425 -1.876 1.00 0.00 C ATOM 805 O ILE A 51 -2.758 4.437 -2.600 1.00 0.00 O ATOM 806 CB ILE A 51 0.417 3.261 -2.126 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.818 3.352 -2.742 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.304 2.035 -2.696 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.737 3.949 -4.143 1.00 0.00 C ATOM 0 H ILE A 51 1.275 5.572 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.434 4.640 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 51 0.498 3.164 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.461 3.967 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.269 2.361 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.265 1.136 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.299 1.961 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.391 2.135 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.738 4.009 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.110 3.317 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.305 4.948 -4.088 1.00 0.00 H new ATOM 821 N ARG A 52 -1.907 4.331 -0.579 1.00 0.00 N ATOM 822 CA ARG A 52 -3.264 4.223 0.027 1.00 0.00 C ATOM 823 C ARG A 52 -4.168 5.285 -0.591 1.00 0.00 C ATOM 824 O ARG A 52 -5.286 5.013 -0.980 1.00 0.00 O ATOM 825 CB ARG A 52 -3.167 4.448 1.539 1.00 0.00 C ATOM 826 CG ARG A 52 -4.520 4.147 2.189 1.00 0.00 C ATOM 827 CD ARG A 52 -5.197 5.460 2.590 1.00 0.00 C ATOM 828 NE ARG A 52 -6.494 5.164 3.263 1.00 0.00 N ATOM 829 CZ ARG A 52 -6.508 4.767 4.505 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.815 5.410 5.405 1.00 0.00 N ATOM 831 NH2 ARG A 52 -7.217 3.725 4.848 1.00 0.00 N ATOM 0 H ARG A 52 -1.131 4.324 0.083 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.677 3.232 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.396 3.805 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.873 5.477 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.154 3.596 1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.382 3.514 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.549 6.027 3.259 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.365 6.079 1.709 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.370 5.272 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.262 6.224 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.827 5.099 6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.759 3.223 4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.229 3.413 5.819 1.00 0.00 H new ATOM 845 N HIS A 53 -3.689 6.491 -0.702 1.00 0.00 N ATOM 846 CA HIS A 53 -4.519 7.562 -1.315 1.00 0.00 C ATOM 847 C HIS A 53 -4.565 7.347 -2.830 1.00 0.00 C ATOM 848 O HIS A 53 -5.496 7.752 -3.498 1.00 0.00 O ATOM 849 CB HIS A 53 -3.892 8.924 -1.009 1.00 0.00 C ATOM 850 CG HIS A 53 -4.856 10.021 -1.368 1.00 0.00 C ATOM 851 ND1 HIS A 53 -6.071 9.768 -1.987 1.00 0.00 N ATOM 852 CD2 HIS A 53 -4.795 11.382 -1.204 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.685 10.951 -2.171 1.00 0.00 C ATOM 854 NE2 HIS A 53 -5.950 11.968 -1.713 1.00 0.00 N ATOM 0 H HIS A 53 -2.760 6.781 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.530 7.530 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.633 8.986 0.048 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.966 9.043 -1.571 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -6.433 8.853 -2.254 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.975 11.917 -0.749 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.655 11.065 -2.633 1.00 0.00 H new ATOM 862 N ASN A 54 -3.557 6.719 -3.378 1.00 0.00 N ATOM 863 CA ASN A 54 -3.528 6.482 -4.847 1.00 0.00 C ATOM 864 C ASN A 54 -4.559 5.424 -5.244 1.00 0.00 C ATOM 865 O ASN A 54 -5.277 5.590 -6.211 1.00 0.00 O ATOM 866 CB ASN A 54 -2.133 6.013 -5.260 1.00 0.00 C ATOM 867 CG ASN A 54 -1.170 7.202 -5.238 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.431 8.219 -5.850 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.061 7.121 -4.555 1.00 0.00 N ATOM 0 H ASN A 54 -2.751 6.360 -2.867 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.772 7.415 -5.355 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.783 5.235 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.165 5.575 -6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.585 7.910 -4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.160 6.268 -4.041 1.00 0.00 H new ATOM 876 N LEU A 55 -4.646 4.328 -4.530 1.00 0.00 N ATOM 877 CA LEU A 55 -5.643 3.294 -4.930 1.00 0.00 C ATOM 878 C LEU A 55 -7.042 3.800 -4.575 1.00 0.00 C ATOM 879 O LEU A 55 -8.039 3.233 -4.973 1.00 0.00 O ATOM 880 CB LEU A 55 -5.405 1.932 -4.238 1.00 0.00 C ATOM 881 CG LEU A 55 -3.919 1.661 -3.928 1.00 0.00 C ATOM 882 CD1 LEU A 55 -2.994 2.406 -4.892 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.631 2.078 -2.486 1.00 0.00 C ATOM 0 H LEU A 55 -4.084 4.110 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.539 3.132 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.975 1.899 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.788 1.135 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.725 0.596 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.956 2.189 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.195 2.082 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.171 3.478 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.582 1.891 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.845 3.140 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.260 1.501 -1.808 1.00 0.00 H new ATOM 895 N SER A 56 -7.122 4.869 -3.828 1.00 0.00 N ATOM 896 CA SER A 56 -8.455 5.416 -3.450 1.00 0.00 C ATOM 897 C SER A 56 -8.900 6.436 -4.500 1.00 0.00 C ATOM 898 O SER A 56 -10.020 6.409 -4.972 1.00 0.00 O ATOM 899 CB SER A 56 -8.357 6.099 -2.085 1.00 0.00 C ATOM 900 OG SER A 56 -7.614 5.273 -1.198 1.00 0.00 O ATOM 0 H SER A 56 -6.322 5.386 -3.464 1.00 0.00 H new ATOM 0 HA SER A 56 -9.181 4.605 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.874 7.071 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.354 6.279 -1.683 1.00 0.00 H new ATOM 0 HG SER A 56 -6.656 5.383 -1.374 1.00 0.00 H new ATOM 906 N LEU A 57 -8.031 7.339 -4.872 1.00 0.00 N ATOM 907 CA LEU A 57 -8.406 8.358 -5.889 1.00 0.00 C ATOM 908 C LEU A 57 -8.259 7.760 -7.291 1.00 0.00 C ATOM 909 O LEU A 57 -8.956 8.140 -8.209 1.00 0.00 O ATOM 910 CB LEU A 57 -7.492 9.578 -5.749 1.00 0.00 C ATOM 911 CG LEU A 57 -6.038 9.167 -5.983 1.00 0.00 C ATOM 912 CD1 LEU A 57 -5.684 9.356 -7.459 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.117 10.038 -5.124 1.00 0.00 C ATOM 0 H LEU A 57 -7.079 7.413 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.441 8.663 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.782 10.345 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.601 10.013 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.909 8.120 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.647 9.063 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.339 8.737 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.813 10.403 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.080 9.745 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.247 11.085 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.367 9.904 -4.072 1.00 0.00 H new ATOM 925 N ASN A 58 -7.363 6.825 -7.462 1.00 0.00 N ATOM 926 CA ASN A 58 -7.185 6.205 -8.807 1.00 0.00 C ATOM 927 C ASN A 58 -8.562 5.906 -9.405 1.00 0.00 C ATOM 928 O ASN A 58 -9.507 5.626 -8.695 1.00 0.00 O ATOM 929 CB ASN A 58 -6.393 4.900 -8.675 1.00 0.00 C ATOM 930 CG ASN A 58 -4.910 5.170 -8.940 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.268 4.437 -9.666 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.335 6.197 -8.376 1.00 0.00 N ATOM 0 H ASN A 58 -6.749 6.465 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.640 6.891 -9.456 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.524 4.483 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.770 4.161 -9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.347 6.384 -8.545 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.874 6.812 -7.767 1.00 0.00 H new ATOM 939 N ARG A 59 -8.689 5.971 -10.703 1.00 0.00 N ATOM 940 CA ARG A 59 -10.012 5.698 -11.331 1.00 0.00 C ATOM 941 C ARG A 59 -10.144 4.207 -11.651 1.00 0.00 C ATOM 942 O ARG A 59 -11.216 3.722 -11.954 1.00 0.00 O ATOM 943 CB ARG A 59 -10.144 6.508 -12.621 1.00 0.00 C ATOM 944 CG ARG A 59 -9.085 6.055 -13.626 1.00 0.00 C ATOM 945 CD ARG A 59 -9.149 6.946 -14.867 1.00 0.00 C ATOM 946 NE ARG A 59 -7.790 7.476 -15.168 1.00 0.00 N ATOM 947 CZ ARG A 59 -7.392 7.580 -16.407 1.00 0.00 C ATOM 948 NH1 ARG A 59 -7.805 8.575 -17.145 1.00 0.00 N ATOM 949 NH2 ARG A 59 -6.581 6.688 -16.908 1.00 0.00 N ATOM 0 H ARG A 59 -7.937 6.200 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.800 5.986 -10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.140 6.376 -13.044 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.026 7.570 -12.408 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.094 6.110 -13.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.252 5.014 -13.903 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.526 6.377 -15.717 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.844 7.769 -14.701 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.171 7.757 -14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.439 9.272 -16.753 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.494 8.656 -18.113 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.259 5.911 -16.331 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.270 6.768 -17.876 1.00 0.00 H new ATOM 963 N TYR A 60 -9.068 3.470 -11.586 1.00 0.00 N ATOM 964 CA TYR A 60 -9.155 2.013 -11.889 1.00 0.00 C ATOM 965 C TYR A 60 -8.952 1.206 -10.607 1.00 0.00 C ATOM 966 O TYR A 60 -9.164 0.011 -10.576 1.00 0.00 O ATOM 967 CB TYR A 60 -8.079 1.622 -12.903 1.00 0.00 C ATOM 968 CG TYR A 60 -6.809 2.395 -12.642 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.691 3.713 -13.095 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.742 1.793 -11.959 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.515 4.431 -12.869 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.566 2.514 -11.732 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.452 3.833 -12.187 1.00 0.00 C ATOM 974 OH TYR A 60 -3.290 4.543 -11.964 1.00 0.00 O ATOM 0 H TYR A 60 -8.139 3.811 -11.338 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.139 1.800 -12.306 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.881 0.552 -12.840 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.433 1.821 -13.914 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.512 4.177 -13.621 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.829 0.775 -11.609 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.427 5.448 -13.221 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.744 2.053 -11.205 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.133 4.619 -11.000 1.00 0.00 H new ATOM 984 N PHE A 61 -8.542 1.847 -9.552 1.00 0.00 N ATOM 985 CA PHE A 61 -8.326 1.112 -8.278 1.00 0.00 C ATOM 986 C PHE A 61 -9.548 1.289 -7.374 1.00 0.00 C ATOM 987 O PHE A 61 -10.361 2.168 -7.578 1.00 0.00 O ATOM 988 CB PHE A 61 -7.082 1.663 -7.580 1.00 0.00 C ATOM 989 CG PHE A 61 -5.826 1.216 -8.304 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.832 0.074 -9.123 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.639 1.944 -8.148 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.665 -0.330 -9.772 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.477 1.537 -8.795 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.487 0.402 -9.605 1.00 0.00 C ATOM 0 H PHE A 61 -8.347 2.848 -9.516 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.184 0.052 -8.486 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.125 2.752 -7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.055 1.319 -6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.743 -0.492 -9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.626 2.825 -7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.672 -1.207 -10.402 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.565 2.101 -8.670 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.582 0.088 -10.104 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.689 0.452 -6.382 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.865 0.566 -5.472 1.00 0.00 C ATOM 1006 C ILE A 62 -10.483 0.088 -4.068 1.00 0.00 C ATOM 1007 O ILE A 62 -9.393 -0.398 -3.841 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.002 -0.304 -6.008 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.618 -1.780 -5.873 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.244 0.025 -7.483 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.607 -2.487 -4.943 1.00 0.00 C ATOM 0 H ILE A 62 -9.042 -0.305 -6.162 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.185 1.607 -5.424 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.910 -0.109 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.620 -2.257 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.606 -1.868 -5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.055 -0.595 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.514 1.076 -7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.336 -0.172 -8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.331 -3.537 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.583 -2.016 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.613 -2.412 -5.357 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.378 0.218 -3.127 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.076 -0.234 -1.738 1.00 0.00 C ATOM 1025 C LYS A 63 -12.051 -1.346 -1.346 1.00 0.00 C ATOM 1026 O LYS A 63 -13.127 -1.463 -1.898 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.230 0.943 -0.769 1.00 0.00 C ATOM 1028 CG LYS A 63 -9.925 1.741 -0.722 1.00 0.00 C ATOM 1029 CD LYS A 63 -9.006 1.150 0.348 1.00 0.00 C ATOM 1030 CE LYS A 63 -9.364 1.742 1.713 1.00 0.00 C ATOM 1031 NZ LYS A 63 -8.817 3.123 1.815 1.00 0.00 N ATOM 0 H LYS A 63 -12.307 0.618 -3.260 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.053 -0.609 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.050 1.586 -1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.481 0.577 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.434 1.713 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.134 2.788 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.109 0.065 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.965 1.366 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.446 1.758 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.957 1.119 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.418 3.688 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.850 3.086 2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.801 3.560 0.872 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.687 -2.166 -0.398 1.00 0.00 N ATOM 1046 CA VAL A 64 -12.598 -3.269 0.020 1.00 0.00 C ATOM 1047 C VAL A 64 -12.844 -3.190 1.531 1.00 0.00 C ATOM 1048 O VAL A 64 -12.209 -3.889 2.296 1.00 0.00 O ATOM 1049 CB VAL A 64 -11.961 -4.616 -0.320 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.036 -5.704 -0.323 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -11.313 -4.538 -1.706 1.00 0.00 C ATOM 0 H VAL A 64 -10.800 -2.120 0.104 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.547 -3.171 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.203 -4.857 0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.581 -6.664 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.499 -5.760 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.795 -5.464 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.858 -5.498 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -12.073 -4.297 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.546 -3.763 -1.706 1.00 0.00 H new ATOM 1061 N PRO A 65 -13.764 -2.341 1.911 1.00 0.00 N ATOM 1062 CA PRO A 65 -14.127 -2.143 3.325 1.00 0.00 C ATOM 1063 C PRO A 65 -15.048 -3.271 3.803 1.00 0.00 C ATOM 1064 O PRO A 65 -14.614 -4.210 4.441 1.00 0.00 O ATOM 1065 CB PRO A 65 -14.865 -0.801 3.320 1.00 0.00 C ATOM 1066 CG PRO A 65 -15.374 -0.586 1.875 1.00 0.00 C ATOM 1067 CD PRO A 65 -14.526 -1.497 0.967 1.00 0.00 C ATOM 0 HA PRO A 65 -13.267 -2.149 3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.695 -0.812 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.200 0.009 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.432 -0.837 1.796 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.271 0.458 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.153 -2.100 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.862 -0.915 0.328 1.00 0.00 H new ATOM 1075 N ARG A 66 -16.314 -3.188 3.495 1.00 0.00 N ATOM 1076 CA ARG A 66 -17.259 -4.259 3.928 1.00 0.00 C ATOM 1077 C ARG A 66 -18.666 -3.942 3.412 1.00 0.00 C ATOM 1078 O ARG A 66 -19.324 -4.777 2.826 1.00 0.00 O ATOM 1079 CB ARG A 66 -17.280 -4.342 5.457 1.00 0.00 C ATOM 1080 CG ARG A 66 -17.651 -2.979 6.045 1.00 0.00 C ATOM 1081 CD ARG A 66 -17.422 -2.994 7.558 1.00 0.00 C ATOM 1082 NE ARG A 66 -18.708 -3.284 8.253 1.00 0.00 N ATOM 1083 CZ ARG A 66 -18.956 -2.749 9.417 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -18.015 -2.687 10.319 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -20.146 -2.278 9.679 1.00 0.00 N ATOM 0 H ARG A 66 -16.735 -2.426 2.963 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.931 -5.215 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.999 -5.095 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.303 -4.654 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.049 -2.196 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.694 -2.749 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.679 -3.748 7.816 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.028 -2.032 7.886 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.394 -3.901 7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.087 -3.057 10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.208 -2.269 11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.881 -2.329 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.340 -1.860 10.589 1.00 0.00 H new ATOM 1099 N SER A 67 -19.134 -2.742 3.626 1.00 0.00 N ATOM 1100 CA SER A 67 -20.498 -2.379 3.148 1.00 0.00 C ATOM 1101 C SER A 67 -20.387 -1.532 1.878 1.00 0.00 C ATOM 1102 O SER A 67 -19.306 -1.243 1.406 1.00 0.00 O ATOM 1103 CB SER A 67 -21.222 -1.579 4.231 1.00 0.00 C ATOM 1104 OG SER A 67 -22.522 -2.122 4.425 1.00 0.00 O ATOM 0 H SER A 67 -18.631 -1.999 4.111 1.00 0.00 H new ATOM 0 HA SER A 67 -21.059 -3.288 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 67 -20.658 -1.613 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 67 -21.293 -0.531 3.940 1.00 0.00 H new ATOM 0 HG SER A 67 -22.989 -1.613 5.120 1.00 0.00 H new ATOM 1110 N GLN A 68 -21.498 -1.133 1.321 1.00 0.00 N ATOM 1111 CA GLN A 68 -21.455 -0.305 0.082 1.00 0.00 C ATOM 1112 C GLN A 68 -21.487 1.179 0.455 1.00 0.00 C ATOM 1113 O GLN A 68 -22.374 1.909 0.060 1.00 0.00 O ATOM 1114 CB GLN A 68 -22.666 -0.634 -0.796 1.00 0.00 C ATOM 1115 CG GLN A 68 -22.249 -0.612 -2.268 1.00 0.00 C ATOM 1116 CD GLN A 68 -23.475 -0.350 -3.144 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -23.532 0.637 -3.849 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -24.466 -1.199 -3.129 1.00 0.00 N ATOM 0 H GLN A 68 -22.433 -1.344 1.670 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.538 -0.523 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -23.063 -1.615 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -23.463 0.089 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.500 0.162 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.791 -1.563 -2.541 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -24.418 -2.028 -2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -25.288 -1.033 -3.709 1.00 0.00 H new ATOM 1127 N GLU A 69 -20.525 1.631 1.213 1.00 0.00 N ATOM 1128 CA GLU A 69 -20.502 3.069 1.606 1.00 0.00 C ATOM 1129 C GLU A 69 -19.124 3.657 1.298 1.00 0.00 C ATOM 1130 O GLU A 69 -18.115 2.991 1.418 1.00 0.00 O ATOM 1131 CB GLU A 69 -20.785 3.195 3.104 1.00 0.00 C ATOM 1132 CG GLU A 69 -21.967 2.300 3.475 1.00 0.00 C ATOM 1133 CD GLU A 69 -22.834 3.008 4.518 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -22.286 3.443 5.517 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -24.031 3.104 4.299 1.00 0.00 O ATOM 0 H GLU A 69 -19.756 1.068 1.576 1.00 0.00 H new ATOM 0 HA GLU A 69 -21.264 3.611 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -19.903 2.908 3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -21.006 4.232 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.558 2.074 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -21.608 1.350 3.870 1.00 0.00 H new ATOM 1142 N GLU A 70 -19.070 4.899 0.904 1.00 0.00 N ATOM 1143 CA GLU A 70 -17.755 5.522 0.592 1.00 0.00 C ATOM 1144 C GLU A 70 -16.878 5.524 1.849 1.00 0.00 C ATOM 1145 O GLU A 70 -15.756 5.057 1.818 1.00 0.00 O ATOM 1146 CB GLU A 70 -17.970 6.957 0.108 1.00 0.00 C ATOM 1147 CG GLU A 70 -17.746 7.026 -1.404 1.00 0.00 C ATOM 1148 CD GLU A 70 -19.080 6.842 -2.129 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -20.051 7.444 -1.703 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -19.108 6.103 -3.100 1.00 0.00 O ATOM 0 H GLU A 70 -19.879 5.508 0.785 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.258 4.950 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -18.980 7.287 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.283 7.631 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.304 7.985 -1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.043 6.253 -1.713 1.00 0.00 H new ATOM 1157 N PRO A 71 -17.417 6.048 2.923 1.00 0.00 N ATOM 1158 CA PRO A 71 -16.704 6.124 4.211 1.00 0.00 C ATOM 1159 C PRO A 71 -16.745 4.770 4.926 1.00 0.00 C ATOM 1160 O PRO A 71 -17.777 4.135 5.014 1.00 0.00 O ATOM 1161 CB PRO A 71 -17.490 7.176 4.995 1.00 0.00 C ATOM 1162 CG PRO A 71 -18.903 7.224 4.367 1.00 0.00 C ATOM 1163 CD PRO A 71 -18.780 6.617 2.955 1.00 0.00 C ATOM 0 HA PRO A 71 -15.650 6.379 4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.543 6.913 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -17.004 8.150 4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.614 6.660 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -19.270 8.249 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -19.536 5.850 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -18.914 7.375 2.183 1.00 0.00 H new ATOM 1171 N GLY A 72 -15.632 4.324 5.439 1.00 0.00 N ATOM 1172 CA GLY A 72 -15.609 3.014 6.149 1.00 0.00 C ATOM 1173 C GLY A 72 -14.278 2.860 6.886 1.00 0.00 C ATOM 1174 O GLY A 72 -14.020 3.525 7.869 1.00 0.00 O ATOM 0 H GLY A 72 -14.736 4.810 5.397 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.437 2.956 6.855 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.739 2.199 5.437 1.00 0.00 H new ATOM 1178 N LYS A 73 -13.429 1.985 6.418 1.00 0.00 N ATOM 1179 CA LYS A 73 -12.114 1.791 7.092 1.00 0.00 C ATOM 1180 C LYS A 73 -11.095 1.260 6.083 1.00 0.00 C ATOM 1181 O LYS A 73 -11.449 0.687 5.072 1.00 0.00 O ATOM 1182 CB LYS A 73 -12.270 0.788 8.236 1.00 0.00 C ATOM 1183 CG LYS A 73 -11.937 1.474 9.562 1.00 0.00 C ATOM 1184 CD LYS A 73 -11.834 0.426 10.670 1.00 0.00 C ATOM 1185 CE LYS A 73 -13.189 0.283 11.363 1.00 0.00 C ATOM 1186 NZ LYS A 73 -13.401 -1.139 11.753 1.00 0.00 N ATOM 0 H LYS A 73 -13.589 1.397 5.600 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.767 2.745 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.289 0.402 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.610 -0.065 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.997 2.019 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.708 2.204 9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.524 -0.532 10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.073 0.719 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.227 0.922 12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.987 0.611 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.323 -1.236 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.382 -1.739 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.646 -1.437 12.404 1.00 0.00 H new ATOM 1200 N GLY A 74 -9.832 1.446 6.348 1.00 0.00 N ATOM 1201 CA GLY A 74 -8.791 0.951 5.404 1.00 0.00 C ATOM 1202 C GLY A 74 -8.324 -0.436 5.845 1.00 0.00 C ATOM 1203 O GLY A 74 -8.235 -0.726 7.021 1.00 0.00 O ATOM 0 H GLY A 74 -9.475 1.920 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.194 0.907 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.947 1.641 5.381 1.00 0.00 H new ATOM 1207 N SER A 75 -8.026 -1.297 4.911 1.00 0.00 N ATOM 1208 CA SER A 75 -7.566 -2.665 5.278 1.00 0.00 C ATOM 1209 C SER A 75 -7.151 -3.415 4.013 1.00 0.00 C ATOM 1210 O SER A 75 -5.982 -3.528 3.701 1.00 0.00 O ATOM 1211 CB SER A 75 -8.703 -3.417 5.969 1.00 0.00 C ATOM 1212 OG SER A 75 -9.811 -3.508 5.083 1.00 0.00 O ATOM 0 H SER A 75 -8.081 -1.112 3.909 1.00 0.00 H new ATOM 0 HA SER A 75 -6.715 -2.595 5.956 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.372 -4.414 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.995 -2.899 6.883 1.00 0.00 H new ATOM 0 HG SER A 75 -10.039 -4.450 4.940 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.099 -3.925 3.277 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.757 -4.662 2.030 1.00 0.00 C ATOM 1220 C PHE A 76 -8.326 -3.909 0.830 1.00 0.00 C ATOM 1221 O PHE A 76 -9.487 -3.550 0.803 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.358 -6.067 2.077 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.397 -7.047 1.448 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.806 -6.754 0.212 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -7.095 -8.249 2.100 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.915 -7.663 -0.371 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -6.203 -9.158 1.518 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.613 -8.865 0.283 1.00 0.00 C ATOM 0 H PHE A 76 -9.096 -3.863 3.486 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.673 -4.738 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.562 -6.353 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.311 -6.085 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.038 -5.827 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.551 -8.475 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.461 -7.438 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.970 -10.085 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.925 -9.566 -0.166 1.00 0.00 H new ATOM 1238 N TRP A 77 -7.519 -3.663 -0.162 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.015 -2.931 -1.358 1.00 0.00 C ATOM 1240 C TRP A 77 -7.698 -3.744 -2.620 1.00 0.00 C ATOM 1241 O TRP A 77 -7.034 -4.759 -2.562 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.337 -1.553 -1.426 1.00 0.00 C ATOM 1243 CG TRP A 77 -5.981 -1.682 -2.041 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -4.852 -2.030 -1.382 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -5.600 -1.469 -3.425 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -3.800 -2.045 -2.281 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -4.213 -1.704 -3.554 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.323 -1.098 -4.570 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -3.564 -1.573 -4.780 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.675 -0.963 -5.804 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.299 -1.201 -5.910 1.00 0.00 C ATOM 0 H TRP A 77 -6.537 -3.937 -0.196 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.094 -2.793 -1.289 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.948 -0.866 -2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.253 -1.130 -0.425 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.783 -2.258 -0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.838 -2.279 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.385 -0.916 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -2.503 -1.757 -4.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.239 -0.674 -6.678 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.805 -1.097 -6.865 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.161 -3.303 -3.757 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.877 -4.051 -5.015 1.00 0.00 C ATOM 1264 C ARG A 78 -8.075 -3.125 -6.213 1.00 0.00 C ATOM 1265 O ARG A 78 -8.363 -1.954 -6.065 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.831 -5.241 -5.137 1.00 0.00 C ATOM 1267 CG ARG A 78 -10.259 -4.730 -5.340 1.00 0.00 C ATOM 1268 CD ARG A 78 -11.218 -5.919 -5.446 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.026 -6.596 -6.761 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.984 -7.326 -7.265 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.048 -6.756 -7.762 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.878 -8.626 -7.272 1.00 0.00 N ATOM 0 H ARG A 78 -8.723 -2.459 -3.870 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.848 -4.411 -4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.537 -5.873 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.778 -5.857 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.549 -4.089 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.314 -4.123 -6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.035 -6.621 -4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.249 -5.579 -5.347 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.147 -6.489 -7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.132 -5.739 -7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.796 -7.327 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.047 -9.072 -6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.626 -9.197 -7.666 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.929 -3.644 -7.400 1.00 0.00 N ATOM 1287 CA ILE A 79 -8.114 -2.794 -8.610 1.00 0.00 C ATOM 1288 C ILE A 79 -9.335 -3.282 -9.389 1.00 0.00 C ATOM 1289 O ILE A 79 -9.753 -4.415 -9.260 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.867 -2.882 -9.491 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.837 -4.237 -10.213 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.633 -2.747 -8.609 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.425 -4.518 -10.736 1.00 0.00 C ATOM 0 H ILE A 79 -7.690 -4.618 -7.585 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.268 -1.757 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.883 -2.084 -10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.146 -5.029 -9.531 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.547 -4.234 -11.040 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.736 -2.808 -9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.656 -1.785 -8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.622 -3.551 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.411 -5.481 -11.247 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.132 -3.733 -11.433 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.725 -4.541 -9.901 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.912 -2.437 -10.197 1.00 0.00 N ATOM 1306 CA ASP A 80 -11.103 -2.863 -10.978 1.00 0.00 C ATOM 1307 C ASP A 80 -10.717 -4.052 -11.862 1.00 0.00 C ATOM 1308 O ASP A 80 -9.638 -4.078 -12.422 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.582 -1.703 -11.852 1.00 0.00 C ATOM 1310 CG ASP A 80 -13.111 -1.665 -11.859 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.678 -1.307 -10.839 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.688 -1.992 -12.882 1.00 0.00 O ATOM 0 H ASP A 80 -9.611 -1.474 -10.349 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.906 -3.154 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.186 -0.761 -11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.206 -1.821 -12.868 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.607 -5.007 -11.957 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.381 -6.219 -12.761 1.00 0.00 C ATOM 1319 C PRO A 81 -11.587 -5.917 -14.247 1.00 0.00 C ATOM 1320 O PRO A 81 -11.050 -6.586 -15.108 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.441 -7.196 -12.244 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.552 -6.333 -11.600 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.918 -4.967 -11.277 1.00 0.00 C ATOM 0 HA PRO A 81 -10.369 -6.614 -12.671 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.841 -7.801 -13.057 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.013 -7.885 -11.516 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.396 -6.217 -12.280 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.934 -6.806 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.533 -4.145 -11.645 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.805 -4.824 -10.202 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.358 -4.911 -14.555 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.594 -4.565 -15.984 1.00 0.00 C ATOM 1333 C ALA A 82 -11.539 -3.561 -16.447 1.00 0.00 C ATOM 1334 O ALA A 82 -11.407 -3.285 -17.622 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.989 -3.957 -16.140 1.00 0.00 C ATOM 0 H ALA A 82 -12.834 -4.314 -13.879 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.525 -5.467 -16.592 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.161 -3.704 -17.186 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.739 -4.678 -15.813 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.063 -3.055 -15.532 1.00 0.00 H new ATOM 1341 N SER A 83 -10.777 -3.020 -15.536 1.00 0.00 N ATOM 1342 CA SER A 83 -9.724 -2.048 -15.933 1.00 0.00 C ATOM 1343 C SER A 83 -8.357 -2.686 -15.704 1.00 0.00 C ATOM 1344 O SER A 83 -7.341 -2.143 -16.087 1.00 0.00 O ATOM 1345 CB SER A 83 -9.842 -0.779 -15.085 1.00 0.00 C ATOM 1346 OG SER A 83 -10.960 -0.021 -15.528 1.00 0.00 O ATOM 0 H SER A 83 -10.839 -3.210 -14.536 1.00 0.00 H new ATOM 0 HA SER A 83 -9.844 -1.785 -16.984 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.959 -1.040 -14.033 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.931 -0.187 -15.167 1.00 0.00 H new ATOM 0 HG SER A 83 -11.040 0.792 -14.986 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.323 -3.838 -15.084 1.00 0.00 N ATOM 1353 CA GLU A 84 -7.020 -4.503 -14.827 1.00 0.00 C ATOM 1354 C GLU A 84 -6.307 -4.712 -16.155 1.00 0.00 C ATOM 1355 O GLU A 84 -5.096 -4.703 -16.224 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.253 -5.851 -14.143 1.00 0.00 C ATOM 1357 CG GLU A 84 -7.845 -6.844 -15.146 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.718 -7.644 -15.802 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -5.568 -7.360 -15.509 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -7.024 -8.526 -16.587 1.00 0.00 O ATOM 0 H GLU A 84 -9.143 -4.343 -14.747 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.408 -3.880 -14.174 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.313 -6.236 -13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.929 -5.728 -13.297 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.537 -7.518 -14.641 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.417 -6.312 -15.906 1.00 0.00 H new ATOM 1367 N ALA A 85 -7.046 -4.866 -17.216 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.395 -5.032 -18.541 1.00 0.00 C ATOM 1369 C ALA A 85 -6.057 -3.638 -19.071 1.00 0.00 C ATOM 1370 O ALA A 85 -5.232 -3.474 -19.949 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.351 -5.737 -19.506 1.00 0.00 C ATOM 0 H ALA A 85 -8.066 -4.884 -17.223 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.492 -5.636 -18.450 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.867 -5.855 -20.476 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.612 -6.718 -19.108 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.256 -5.141 -19.622 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.688 -2.631 -18.525 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.412 -1.238 -18.968 1.00 0.00 C ATOM 1379 C LYS A 86 -5.317 -0.637 -18.085 1.00 0.00 C ATOM 1380 O LYS A 86 -4.358 -0.073 -18.573 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.686 -0.399 -18.848 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.446 0.992 -19.439 1.00 0.00 C ATOM 1383 CD LYS A 86 -8.037 2.053 -18.507 1.00 0.00 C ATOM 1384 CE LYS A 86 -7.152 3.302 -18.529 1.00 0.00 C ATOM 1385 NZ LYS A 86 -7.960 4.476 -18.964 1.00 0.00 N ATOM 0 H LYS A 86 -7.387 -2.718 -17.787 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.083 -1.243 -20.007 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.507 -0.890 -19.371 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.980 -0.314 -17.802 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.378 1.163 -19.571 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.904 1.063 -20.425 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.049 2.306 -18.822 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.108 1.662 -17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.734 3.482 -17.539 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.312 3.154 -19.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.359 5.325 -18.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.339 4.303 -19.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.747 4.621 -18.300 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.441 -0.752 -16.785 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.384 -0.176 -15.902 1.00 0.00 C ATOM 1401 C LEU A 87 -3.051 -0.819 -16.240 1.00 0.00 C ATOM 1402 O LEU A 87 -2.091 -0.155 -16.575 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.696 -0.428 -14.419 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.443 -1.751 -14.217 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.712 -2.595 -13.182 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.849 -1.470 -13.687 1.00 0.00 C ATOM 0 H LEU A 87 -6.215 -1.212 -16.305 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.347 0.900 -16.069 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.767 -0.443 -13.849 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.297 0.393 -14.028 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.494 -2.276 -15.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.243 -3.536 -13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.699 -2.800 -13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.669 -2.055 -12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.379 -2.412 -13.544 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.781 -0.944 -12.735 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.392 -0.854 -14.404 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.995 -2.107 -16.153 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.739 -2.826 -16.464 1.00 0.00 C ATOM 1420 C VAL A 88 -1.069 -2.225 -17.698 1.00 0.00 C ATOM 1421 O VAL A 88 0.138 -2.248 -17.831 1.00 0.00 O ATOM 1422 CB VAL A 88 -2.080 -4.263 -16.765 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.570 -4.965 -15.497 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.173 -4.293 -17.835 1.00 0.00 C ATOM 0 H VAL A 88 -3.775 -2.703 -15.876 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.061 -2.747 -15.614 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.193 -4.784 -17.126 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.813 -6.002 -15.726 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.787 -4.935 -14.739 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.459 -4.458 -15.121 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.430 -5.327 -18.063 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.057 -3.772 -17.467 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.812 -3.801 -18.738 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.837 -1.699 -18.607 1.00 0.00 N ATOM 1435 CA GLU A 89 -1.228 -1.113 -19.833 1.00 0.00 C ATOM 1436 C GLU A 89 -0.173 -0.091 -19.414 1.00 0.00 C ATOM 1437 O GLU A 89 0.882 0.007 -20.009 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.311 -0.422 -20.664 1.00 0.00 C ATOM 1439 CG GLU A 89 -2.055 -0.674 -22.153 1.00 0.00 C ATOM 1440 CD GLU A 89 -0.614 -0.290 -22.496 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -0.151 0.715 -21.983 1.00 0.00 O ATOM 1442 OE2 GLU A 89 0.000 -1.008 -23.269 1.00 0.00 O ATOM 0 H GLU A 89 -2.855 -1.649 -18.557 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.768 -1.899 -20.432 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.294 -0.800 -20.385 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.312 0.649 -20.461 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.229 -1.724 -22.390 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.751 -0.091 -22.756 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.441 0.658 -18.383 1.00 0.00 N ATOM 1450 CA GLN A 90 0.556 1.660 -17.913 1.00 0.00 C ATOM 1451 C GLN A 90 1.465 1.010 -16.861 1.00 0.00 C ATOM 1452 O GLN A 90 2.426 1.600 -16.409 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.171 2.858 -17.299 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.013 4.073 -18.216 1.00 0.00 C ATOM 1455 CD GLN A 90 -1.311 4.298 -18.993 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -1.520 3.707 -20.035 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -2.199 5.134 -18.529 1.00 0.00 N ATOM 0 H GLN A 90 -1.307 0.621 -17.845 1.00 0.00 H new ATOM 0 HA GLN A 90 1.159 2.002 -18.755 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.227 2.626 -17.163 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.236 3.078 -16.312 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.229 4.958 -17.627 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.815 3.915 -18.908 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.025 5.630 -17.655 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.068 5.291 -19.040 1.00 0.00 H new ATOM 1466 N ALA A 91 1.166 -0.202 -16.468 1.00 0.00 N ATOM 1467 CA ALA A 91 2.008 -0.890 -15.447 1.00 0.00 C ATOM 1468 C ALA A 91 3.348 -1.294 -16.065 1.00 0.00 C ATOM 1469 O ALA A 91 4.382 -0.739 -15.749 1.00 0.00 O ATOM 1470 CB ALA A 91 1.295 -2.141 -14.940 1.00 0.00 C ATOM 0 H ALA A 91 0.373 -0.744 -16.812 1.00 0.00 H new ATOM 0 HA ALA A 91 2.179 -0.206 -14.616 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.917 -2.637 -14.195 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.343 -1.860 -14.489 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.115 -2.820 -15.773 1.00 0.00 H new ATOM 1476 N PHE A 92 3.338 -2.261 -16.941 1.00 0.00 N ATOM 1477 CA PHE A 92 4.615 -2.706 -17.575 1.00 0.00 C ATOM 1478 C PHE A 92 5.061 -1.680 -18.619 1.00 0.00 C ATOM 1479 O PHE A 92 5.212 -1.989 -19.785 1.00 0.00 O ATOM 1480 CB PHE A 92 4.425 -4.070 -18.251 1.00 0.00 C ATOM 1481 CG PHE A 92 3.034 -4.175 -18.833 1.00 0.00 C ATOM 1482 CD1 PHE A 92 2.707 -3.479 -20.003 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.071 -4.970 -18.200 1.00 0.00 C ATOM 1484 CE1 PHE A 92 1.418 -3.579 -20.539 1.00 0.00 C ATOM 1485 CE2 PHE A 92 0.781 -5.070 -18.737 1.00 0.00 C ATOM 1486 CZ PHE A 92 0.455 -4.374 -19.906 1.00 0.00 C ATOM 0 H PHE A 92 2.504 -2.762 -17.246 1.00 0.00 H new ATOM 0 HA PHE A 92 5.377 -2.794 -16.801 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.167 -4.200 -19.038 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.585 -4.869 -17.527 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.449 -2.865 -20.492 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.323 -5.507 -17.297 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.166 -3.042 -21.442 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.039 -5.684 -18.249 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.540 -4.450 -20.320 1.00 0.00 H new ATOM 1496 N ARG A 93 5.280 -0.462 -18.208 1.00 0.00 N ATOM 1497 CA ARG A 93 5.723 0.583 -19.173 1.00 0.00 C ATOM 1498 C ARG A 93 6.361 1.741 -18.404 1.00 0.00 C ATOM 1499 O ARG A 93 5.680 2.552 -17.806 1.00 0.00 O ATOM 1500 CB ARG A 93 4.517 1.095 -19.965 1.00 0.00 C ATOM 1501 CG ARG A 93 4.688 0.737 -21.443 1.00 0.00 C ATOM 1502 CD ARG A 93 4.555 2.003 -22.295 1.00 0.00 C ATOM 1503 NE ARG A 93 3.511 1.793 -23.337 1.00 0.00 N ATOM 1504 CZ ARG A 93 3.234 2.745 -24.185 1.00 0.00 C ATOM 1505 NH1 ARG A 93 2.482 3.746 -23.819 1.00 0.00 N ATOM 1506 NH2 ARG A 93 3.711 2.697 -25.399 1.00 0.00 N ATOM 0 H ARG A 93 5.171 -0.145 -17.245 1.00 0.00 H new ATOM 0 HA ARG A 93 6.451 0.158 -19.863 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.599 0.653 -19.577 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.425 2.175 -19.850 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.663 0.277 -21.606 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.937 0.005 -21.740 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.290 2.852 -21.665 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.510 2.240 -22.764 1.00 0.00 H new ATOM 0 HE ARG A 93 3.013 0.904 -23.387 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.111 3.784 -22.870 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.265 4.490 -24.482 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.300 1.915 -25.685 1.00 0.00 H new ATOM 0 HH22 ARG A 93 3.494 3.441 -26.062 1.00 0.00 H new ATOM 1520 N LYS A 94 7.663 1.825 -18.414 1.00 0.00 N ATOM 1521 CA LYS A 94 8.346 2.929 -17.682 1.00 0.00 C ATOM 1522 C LYS A 94 7.909 4.275 -18.262 1.00 0.00 C ATOM 1523 O LYS A 94 7.685 4.408 -19.450 1.00 0.00 O ATOM 1524 CB LYS A 94 9.861 2.776 -17.831 1.00 0.00 C ATOM 1525 CG LYS A 94 10.251 1.314 -17.606 1.00 0.00 C ATOM 1526 CD LYS A 94 11.608 1.248 -16.901 1.00 0.00 C ATOM 1527 CE LYS A 94 12.466 0.157 -17.544 1.00 0.00 C ATOM 1528 NZ LYS A 94 13.892 0.591 -17.561 1.00 0.00 N ATOM 0 H LYS A 94 8.284 1.176 -18.898 1.00 0.00 H new ATOM 0 HA LYS A 94 8.077 2.886 -16.626 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.174 3.098 -18.824 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.374 3.415 -17.112 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.492 0.813 -17.005 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.299 0.789 -18.560 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.113 2.211 -16.971 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.469 1.038 -15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.365 -0.775 -16.988 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.122 -0.039 -18.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.475 -0.151 -17.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.981 1.470 -18.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.216 0.757 -16.587 1.00 0.00 H new ATOM 1542 N ARG A 95 7.784 5.276 -17.435 1.00 0.00 N ATOM 1543 CA ARG A 95 7.359 6.611 -17.941 1.00 0.00 C ATOM 1544 C ARG A 95 8.524 7.267 -18.685 1.00 0.00 C ATOM 1545 O ARG A 95 8.967 8.344 -18.340 1.00 0.00 O ATOM 1546 CB ARG A 95 6.943 7.496 -16.763 1.00 0.00 C ATOM 1547 CG ARG A 95 5.883 6.773 -15.930 1.00 0.00 C ATOM 1548 CD ARG A 95 4.495 7.299 -16.300 1.00 0.00 C ATOM 1549 NE ARG A 95 3.664 7.420 -15.068 1.00 0.00 N ATOM 1550 CZ ARG A 95 3.268 8.595 -14.661 1.00 0.00 C ATOM 1551 NH1 ARG A 95 4.133 9.562 -14.519 1.00 0.00 N ATOM 1552 NH2 ARG A 95 2.007 8.803 -14.397 1.00 0.00 N ATOM 0 H ARG A 95 7.958 5.227 -16.431 1.00 0.00 H new ATOM 0 HA ARG A 95 6.515 6.491 -18.620 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.810 7.728 -16.145 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.549 8.444 -17.128 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.936 5.699 -16.108 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.071 6.929 -14.868 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.581 8.269 -16.790 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.016 6.624 -17.010 1.00 0.00 H new ATOM 0 HE ARG A 95 3.405 6.584 -14.543 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.118 9.399 -14.726 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.824 10.480 -14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.331 8.047 -14.509 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.697 9.721 -14.079 1.00 0.00 H new ATOM 1566 N ARG A 96 9.022 6.627 -19.708 1.00 0.00 N ATOM 1567 CA ARG A 96 10.156 7.215 -20.474 1.00 0.00 C ATOM 1568 C ARG A 96 9.844 7.157 -21.971 1.00 0.00 C ATOM 1569 O ARG A 96 10.069 6.159 -22.624 1.00 0.00 O ATOM 1570 CB ARG A 96 11.432 6.420 -20.189 1.00 0.00 C ATOM 1571 CG ARG A 96 12.514 7.365 -19.660 1.00 0.00 C ATOM 1572 CD ARG A 96 13.593 6.555 -18.940 1.00 0.00 C ATOM 1573 NE ARG A 96 14.261 7.411 -17.920 1.00 0.00 N ATOM 1574 CZ ARG A 96 14.529 8.660 -18.191 1.00 0.00 C ATOM 1575 NH1 ARG A 96 15.465 8.955 -19.050 1.00 0.00 N ATOM 1576 NH2 ARG A 96 13.859 9.613 -17.602 1.00 0.00 N ATOM 0 H ARG A 96 8.692 5.723 -20.046 1.00 0.00 H new ATOM 0 HA ARG A 96 10.299 8.252 -20.171 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.230 5.636 -19.459 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.777 5.927 -21.098 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.955 7.927 -20.483 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.074 8.092 -18.977 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.149 5.682 -18.462 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.326 6.187 -19.658 1.00 0.00 H new ATOM 0 HE ARG A 96 14.509 7.022 -17.010 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.988 8.210 -19.510 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.674 9.931 -19.261 1.00 0.00 H new ATOM 0 HH21 ARG A 96 13.127 9.382 -16.931 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.068 10.589 -17.813 1.00 0.00 H new ATOM 1590 N GLN A 97 9.328 8.223 -22.518 1.00 0.00 N ATOM 1591 CA GLN A 97 9.004 8.230 -23.972 1.00 0.00 C ATOM 1592 C GLN A 97 9.956 9.182 -24.701 1.00 0.00 C ATOM 1593 O GLN A 97 9.589 9.824 -25.664 1.00 0.00 O ATOM 1594 CB GLN A 97 7.561 8.697 -24.173 1.00 0.00 C ATOM 1595 CG GLN A 97 7.198 9.719 -23.094 1.00 0.00 C ATOM 1596 CD GLN A 97 5.771 10.219 -23.324 1.00 0.00 C ATOM 1597 OE1 GLN A 97 5.315 10.296 -24.449 1.00 0.00 O ATOM 1598 NE2 GLN A 97 5.040 10.564 -22.299 1.00 0.00 N ATOM 0 H GLN A 97 9.117 9.089 -22.021 1.00 0.00 H new ATOM 0 HA GLN A 97 9.117 7.223 -24.374 1.00 0.00 H new ATOM 0 HB2 GLN A 97 7.446 9.141 -25.162 1.00 0.00 H new ATOM 0 HB3 GLN A 97 6.882 7.845 -24.125 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.281 9.266 -22.106 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.896 10.555 -23.121 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.422 10.500 -21.355 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.087 10.898 -22.442 1.00 0.00 H new ATOM 1607 N ARG A 98 11.176 9.277 -24.247 1.00 0.00 N ATOM 1608 CA ARG A 98 12.148 10.187 -24.915 1.00 0.00 C ATOM 1609 C ARG A 98 13.175 9.359 -25.692 1.00 0.00 C ATOM 1610 O ARG A 98 14.363 9.447 -25.456 1.00 0.00 O ATOM 1611 CB ARG A 98 12.869 11.028 -23.858 1.00 0.00 C ATOM 1612 CG ARG A 98 13.411 12.302 -24.507 1.00 0.00 C ATOM 1613 CD ARG A 98 14.424 12.961 -23.570 1.00 0.00 C ATOM 1614 NE ARG A 98 13.702 13.643 -22.459 1.00 0.00 N ATOM 1615 CZ ARG A 98 14.199 14.724 -21.924 1.00 0.00 C ATOM 1616 NH1 ARG A 98 15.454 14.760 -21.573 1.00 0.00 N ATOM 1617 NH2 ARG A 98 13.440 15.770 -21.740 1.00 0.00 N ATOM 0 H ARG A 98 11.541 8.765 -23.444 1.00 0.00 H new ATOM 0 HA ARG A 98 11.615 10.843 -25.603 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.184 11.282 -23.049 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.685 10.456 -23.416 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.883 12.065 -25.461 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.593 12.991 -24.719 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.106 12.211 -23.169 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.030 13.681 -24.120 1.00 0.00 H new ATOM 0 HE ARG A 98 12.819 13.264 -22.117 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.047 13.943 -21.717 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.843 15.605 -21.155 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.458 15.742 -22.015 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.829 16.615 -21.322 1.00 0.00 H new ATOM 1631 N GLY A 99 12.727 8.555 -26.616 1.00 0.00 N ATOM 1632 CA GLY A 99 13.680 7.724 -27.405 1.00 0.00 C ATOM 1633 C GLY A 99 12.931 7.027 -28.541 1.00 0.00 C ATOM 1634 O GLY A 99 12.168 6.107 -28.321 1.00 0.00 O ATOM 0 H GLY A 99 11.743 8.437 -26.859 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.475 8.350 -27.810 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.154 6.984 -26.760 1.00 0.00 H new ATOM 1638 N VAL A 100 13.141 7.459 -29.754 1.00 0.00 N ATOM 1639 CA VAL A 100 12.439 6.823 -30.905 1.00 0.00 C ATOM 1640 C VAL A 100 13.424 6.633 -32.060 1.00 0.00 C ATOM 1641 O VAL A 100 13.864 7.584 -32.676 1.00 0.00 O ATOM 1642 CB VAL A 100 11.291 7.725 -31.360 1.00 0.00 C ATOM 1643 CG1 VAL A 100 10.238 6.886 -32.088 1.00 0.00 C ATOM 1644 CG2 VAL A 100 10.654 8.393 -30.139 1.00 0.00 C ATOM 0 H VAL A 100 13.769 8.225 -29.998 1.00 0.00 H new ATOM 0 HA VAL A 100 12.044 5.854 -30.600 1.00 0.00 H new ATOM 0 HB VAL A 100 11.676 8.489 -32.035 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.420 7.530 -32.412 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.690 6.409 -32.957 1.00 0.00 H new ATOM 0 HG13 VAL A 100 9.853 6.121 -31.414 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.835 9.036 -30.462 1.00 0.00 H new ATOM 0 HG22 VAL A 100 10.270 7.628 -29.465 1.00 0.00 H new ATOM 0 HG23 VAL A 100 11.403 8.991 -29.620 1.00 0.00 H new ATOM 1654 N SER A 101 13.775 5.413 -32.359 1.00 0.00 N ATOM 1655 CA SER A 101 14.732 5.166 -33.475 1.00 0.00 C ATOM 1656 C SER A 101 13.996 4.505 -34.641 1.00 0.00 C ATOM 1657 O SER A 101 12.807 4.742 -34.776 1.00 0.00 O ATOM 1658 CB SER A 101 15.853 4.247 -32.992 1.00 0.00 C ATOM 1659 OG SER A 101 17.048 4.551 -33.699 1.00 0.00 O ATOM 1660 OXT SER A 101 14.635 3.775 -35.381 1.00 0.00 O ATOM 0 H SER A 101 13.441 4.577 -31.880 1.00 0.00 H new ATOM 0 HA SER A 101 15.157 6.114 -33.805 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.008 4.376 -31.921 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.578 3.204 -33.151 1.00 0.00 H new ATOM 0 HG SER A 101 17.769 3.964 -33.390 1.00 0.00 H new TER 1666 SER A 101