USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 476 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 66 HIS : no HD1:sc=-0.00412 X(o=-0.29,f=-0.31) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= -0.288 USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= -0.017 USER MOD Set 2.2: A 63 ASN : amide:sc= 0 X(o=-0.017,f=-0.017) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -111:sc= 0.211 (180deg=-0.123) USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0.205 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.54) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0353) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 150:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 50 GLN : amide:sc= -0.174 K(o=-0.17,f=-2.1!) USER MOD Single : A 51 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-4!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 170:sc= -0.368 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0.0321 K(o=0.032,f=-3.9!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc=-0.00666 X(o=-0.0067,f=-0.038) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -7:sc= 0.789 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 23:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.819 13.881 2.529 1.00 0.00 N ATOM 2 CA GLY A 1 -27.437 14.018 3.924 1.00 0.00 C ATOM 3 C GLY A 1 -28.092 12.932 4.781 1.00 0.00 C ATOM 4 O GLY A 1 -29.317 12.827 4.825 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.362 14.629 1.969 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.517 12.950 2.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.852 13.966 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.353 13.954 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.731 15.002 4.290 1.00 0.00 H new ATOM 8 N SER A 2 -27.248 12.153 5.441 1.00 0.00 N ATOM 9 CA SER A 2 -27.728 11.081 6.293 1.00 0.00 C ATOM 10 C SER A 2 -27.765 11.546 7.751 1.00 0.00 C ATOM 11 O SER A 2 -27.090 12.508 8.115 1.00 0.00 O ATOM 12 CB SER A 2 -26.853 9.833 6.156 1.00 0.00 C ATOM 13 OG SER A 2 -27.537 8.771 5.498 1.00 0.00 O ATOM 0 H SER A 2 -26.233 12.244 5.402 1.00 0.00 H new ATOM 0 HA SER A 2 -28.738 10.820 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.950 10.083 5.599 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.536 9.502 7.145 1.00 0.00 H new ATOM 0 HG SER A 2 -26.944 7.994 5.429 1.00 0.00 H new ATOM 18 N SER A 3 -28.559 10.842 8.544 1.00 0.00 N ATOM 19 CA SER A 3 -28.691 11.171 9.954 1.00 0.00 C ATOM 20 C SER A 3 -27.651 10.401 10.771 1.00 0.00 C ATOM 21 O SER A 3 -27.498 9.192 10.605 1.00 0.00 O ATOM 22 CB SER A 3 -30.100 10.862 10.460 1.00 0.00 C ATOM 23 OG SER A 3 -30.849 12.048 10.712 1.00 0.00 O ATOM 0 H SER A 3 -29.117 10.045 8.238 1.00 0.00 H new ATOM 0 HA SER A 3 -28.517 12.240 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.624 10.252 9.724 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.036 10.273 11.375 1.00 0.00 H new ATOM 0 HG SER A 3 -31.744 11.808 11.032 1.00 0.00 H new ATOM 28 N GLY A 4 -26.964 11.134 11.635 1.00 0.00 N ATOM 29 CA GLY A 4 -25.943 10.534 12.478 1.00 0.00 C ATOM 30 C GLY A 4 -26.515 9.367 13.284 1.00 0.00 C ATOM 31 O GLY A 4 -27.629 9.449 13.799 1.00 0.00 O ATOM 0 H GLY A 4 -27.094 12.137 11.770 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.116 10.184 11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.538 11.285 13.156 1.00 0.00 H new ATOM 35 N SER A 5 -25.725 8.306 13.370 1.00 0.00 N ATOM 36 CA SER A 5 -26.139 7.122 14.105 1.00 0.00 C ATOM 37 C SER A 5 -24.911 6.391 14.651 1.00 0.00 C ATOM 38 O SER A 5 -23.985 6.081 13.903 1.00 0.00 O ATOM 39 CB SER A 5 -26.966 6.187 13.222 1.00 0.00 C ATOM 40 OG SER A 5 -26.145 5.396 12.367 1.00 0.00 O ATOM 0 H SER A 5 -24.801 8.242 12.943 1.00 0.00 H new ATOM 0 HA SER A 5 -26.766 7.438 14.939 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.570 5.533 13.852 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.657 6.775 12.618 1.00 0.00 H new ATOM 0 HG SER A 5 -26.710 4.811 11.820 1.00 0.00 H new ATOM 45 N SER A 6 -24.944 6.135 15.951 1.00 0.00 N ATOM 46 CA SER A 6 -23.846 5.444 16.605 1.00 0.00 C ATOM 47 C SER A 6 -24.182 3.961 16.767 1.00 0.00 C ATOM 48 O SER A 6 -25.322 3.552 16.553 1.00 0.00 O ATOM 49 CB SER A 6 -23.536 6.070 17.967 1.00 0.00 C ATOM 50 OG SER A 6 -22.325 5.566 18.523 1.00 0.00 O ATOM 0 H SER A 6 -25.714 6.394 16.568 1.00 0.00 H new ATOM 0 HA SER A 6 -22.959 5.542 15.979 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.463 7.152 17.860 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.360 5.872 18.653 1.00 0.00 H new ATOM 0 HG SER A 6 -22.162 5.991 19.391 1.00 0.00 H new ATOM 55 N GLY A 7 -23.169 3.194 17.143 1.00 0.00 N ATOM 56 CA GLY A 7 -23.343 1.765 17.336 1.00 0.00 C ATOM 57 C GLY A 7 -22.361 0.972 16.471 1.00 0.00 C ATOM 58 O GLY A 7 -22.272 1.194 15.265 1.00 0.00 O ATOM 0 H GLY A 7 -22.224 3.536 17.319 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.192 1.515 18.386 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.365 1.482 17.085 1.00 0.00 H new ATOM 62 N MET A 8 -21.650 0.063 17.122 1.00 0.00 N ATOM 63 CA MET A 8 -20.678 -0.764 16.427 1.00 0.00 C ATOM 64 C MET A 8 -21.361 -1.943 15.729 1.00 0.00 C ATOM 65 O MET A 8 -21.214 -2.123 14.521 1.00 0.00 O ATOM 66 CB MET A 8 -19.647 -1.292 17.428 1.00 0.00 C ATOM 67 CG MET A 8 -18.274 -0.665 17.182 1.00 0.00 C ATOM 68 SD MET A 8 -17.018 -1.586 18.053 1.00 0.00 S ATOM 69 CE MET A 8 -15.767 -0.323 18.219 1.00 0.00 C ATOM 0 H MET A 8 -21.728 -0.119 18.123 1.00 0.00 H new ATOM 0 HA MET A 8 -20.184 -0.154 15.671 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.975 -1.071 18.444 1.00 0.00 H new ATOM 0 HB3 MET A 8 -19.576 -2.376 17.344 1.00 0.00 H new ATOM 0 HG2 MET A 8 -18.055 -0.656 16.114 1.00 0.00 H new ATOM 0 HG3 MET A 8 -18.274 0.372 17.516 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.905 -0.732 18.745 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.461 0.018 17.230 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.171 0.517 18.783 1.00 0.00 H new ATOM 77 N ALA A 9 -22.092 -2.714 16.519 1.00 0.00 N ATOM 78 CA ALA A 9 -22.798 -3.870 15.992 1.00 0.00 C ATOM 79 C ALA A 9 -21.783 -4.883 15.460 1.00 0.00 C ATOM 80 O ALA A 9 -21.312 -4.761 14.330 1.00 0.00 O ATOM 81 CB ALA A 9 -23.788 -3.418 14.916 1.00 0.00 C ATOM 0 H ALA A 9 -22.211 -2.561 17.520 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.372 -4.360 16.779 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.317 -4.285 14.521 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -24.505 -2.722 15.351 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -23.247 -2.924 14.109 1.00 0.00 H new ATOM 87 N SER A 10 -21.475 -5.861 16.300 1.00 0.00 N ATOM 88 CA SER A 10 -20.524 -6.895 15.928 1.00 0.00 C ATOM 89 C SER A 10 -19.142 -6.277 15.701 1.00 0.00 C ATOM 90 O SER A 10 -19.006 -5.057 15.644 1.00 0.00 O ATOM 91 CB SER A 10 -20.983 -7.641 14.674 1.00 0.00 C ATOM 92 OG SER A 10 -21.018 -9.051 14.875 1.00 0.00 O ATOM 0 H SER A 10 -21.867 -5.959 17.236 1.00 0.00 H new ATOM 0 HA SER A 10 -20.465 -7.615 16.745 1.00 0.00 H new ATOM 0 HB2 SER A 10 -21.974 -7.291 14.386 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.311 -7.409 13.848 1.00 0.00 H new ATOM 0 HG SER A 10 -21.317 -9.491 14.052 1.00 0.00 H new ATOM 97 N GLU A 11 -18.152 -7.151 15.580 1.00 0.00 N ATOM 98 CA GLU A 11 -16.786 -6.706 15.361 1.00 0.00 C ATOM 99 C GLU A 11 -16.089 -7.616 14.348 1.00 0.00 C ATOM 100 O GLU A 11 -16.073 -8.834 14.509 1.00 0.00 O ATOM 101 CB GLU A 11 -16.009 -6.656 16.678 1.00 0.00 C ATOM 102 CG GLU A 11 -16.352 -5.392 17.469 1.00 0.00 C ATOM 103 CD GLU A 11 -15.327 -5.143 18.577 1.00 0.00 C ATOM 104 OE1 GLU A 11 -15.330 -5.939 19.542 1.00 0.00 O ATOM 105 OE2 GLU A 11 -14.563 -4.164 18.434 1.00 0.00 O ATOM 0 H GLU A 11 -18.269 -8.163 15.629 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.813 -5.695 14.954 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.242 -7.538 17.275 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.939 -6.683 16.474 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.381 -4.535 16.796 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.347 -5.490 17.904 1.00 0.00 H new ATOM 110 N GLU A 12 -15.529 -6.987 13.324 1.00 0.00 N ATOM 111 CA GLU A 12 -14.831 -7.724 12.284 1.00 0.00 C ATOM 112 C GLU A 12 -13.631 -8.467 12.874 1.00 0.00 C ATOM 113 O GLU A 12 -13.152 -8.122 13.953 1.00 0.00 O ATOM 114 CB GLU A 12 -14.397 -6.793 11.150 1.00 0.00 C ATOM 115 CG GLU A 12 -15.567 -6.486 10.214 1.00 0.00 C ATOM 116 CD GLU A 12 -16.180 -5.121 10.532 1.00 0.00 C ATOM 117 OE1 GLU A 12 -16.912 -5.049 11.542 1.00 0.00 O ATOM 118 OE2 GLU A 12 -15.902 -4.180 9.758 1.00 0.00 O ATOM 0 H GLU A 12 -15.545 -5.976 13.193 1.00 0.00 H new ATOM 0 HA GLU A 12 -15.517 -8.459 11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.007 -5.864 11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.587 -7.255 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.224 -6.502 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.327 -7.261 10.310 1.00 0.00 H new ATOM 123 N LEU A 13 -13.179 -9.473 12.139 1.00 0.00 N ATOM 124 CA LEU A 13 -12.043 -10.268 12.576 1.00 0.00 C ATOM 125 C LEU A 13 -10.882 -9.337 12.931 1.00 0.00 C ATOM 126 O LEU A 13 -10.509 -9.222 14.098 1.00 0.00 O ATOM 127 CB LEU A 13 -11.689 -11.320 11.524 1.00 0.00 C ATOM 128 CG LEU A 13 -11.924 -10.916 10.067 1.00 0.00 C ATOM 129 CD1 LEU A 13 -10.721 -11.284 9.195 1.00 0.00 C ATOM 130 CD2 LEU A 13 -13.225 -11.521 9.533 1.00 0.00 C ATOM 0 H LEU A 13 -13.579 -9.756 11.244 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.292 -10.826 13.479 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.638 -11.584 11.642 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.269 -12.220 11.729 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.032 -9.832 10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.914 -10.986 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.834 -10.768 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.557 -12.361 9.237 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.368 -11.218 8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.171 -12.608 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.064 -11.168 10.133 1.00 0.00 H new ATOM 141 N TYR A 14 -10.343 -8.698 11.904 1.00 0.00 N ATOM 142 CA TYR A 14 -9.231 -7.781 12.093 1.00 0.00 C ATOM 143 C TYR A 14 -9.099 -6.827 10.904 1.00 0.00 C ATOM 144 O TYR A 14 -9.168 -7.253 9.751 1.00 0.00 O ATOM 145 CB TYR A 14 -7.976 -8.652 12.175 1.00 0.00 C ATOM 146 CG TYR A 14 -8.164 -9.941 12.979 1.00 0.00 C ATOM 147 CD1 TYR A 14 -8.053 -9.919 14.353 1.00 0.00 C ATOM 148 CD2 TYR A 14 -8.445 -11.125 12.327 1.00 0.00 C ATOM 149 CE1 TYR A 14 -8.230 -11.132 15.110 1.00 0.00 C ATOM 150 CE2 TYR A 14 -8.622 -12.338 13.082 1.00 0.00 C ATOM 151 CZ TYR A 14 -8.505 -12.282 14.437 1.00 0.00 C ATOM 152 OH TYR A 14 -8.673 -13.426 15.150 1.00 0.00 O ATOM 0 H TYR A 14 -10.655 -8.797 10.938 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.380 -7.176 12.988 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.658 -8.909 11.165 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.171 -8.070 12.624 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.833 -8.992 14.862 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.532 -11.141 11.251 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.146 -11.128 16.187 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.843 -13.271 12.585 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.865 -14.167 14.539 1.00 0.00 H new ATOM 161 N GLU A 15 -8.911 -5.555 11.225 1.00 0.00 N ATOM 162 CA GLU A 15 -8.769 -4.538 10.197 1.00 0.00 C ATOM 163 C GLU A 15 -7.392 -3.877 10.292 1.00 0.00 C ATOM 164 O GLU A 15 -6.883 -3.649 11.389 1.00 0.00 O ATOM 165 CB GLU A 15 -9.885 -3.497 10.298 1.00 0.00 C ATOM 166 CG GLU A 15 -9.732 -2.650 11.563 1.00 0.00 C ATOM 167 CD GLU A 15 -10.983 -2.744 12.439 1.00 0.00 C ATOM 168 OE1 GLU A 15 -12.018 -2.188 12.013 1.00 0.00 O ATOM 169 OE2 GLU A 15 -10.875 -3.368 13.517 1.00 0.00 O ATOM 0 H GLU A 15 -8.854 -5.206 12.182 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.853 -5.019 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.866 -2.852 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.854 -3.997 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.862 -2.986 12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.552 -1.610 11.290 1.00 0.00 H new ATOM 174 N VAL A 16 -6.828 -3.587 9.129 1.00 0.00 N ATOM 175 CA VAL A 16 -5.520 -2.956 9.067 1.00 0.00 C ATOM 176 C VAL A 16 -5.574 -1.609 9.790 1.00 0.00 C ATOM 177 O VAL A 16 -6.343 -0.727 9.410 1.00 0.00 O ATOM 178 CB VAL A 16 -5.066 -2.837 7.612 1.00 0.00 C ATOM 179 CG1 VAL A 16 -4.020 -1.731 7.453 1.00 0.00 C ATOM 180 CG2 VAL A 16 -4.532 -4.173 7.092 1.00 0.00 C ATOM 0 H VAL A 16 -7.253 -3.777 8.221 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.775 -3.568 9.576 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.935 -2.567 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.714 -1.667 6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.448 -0.778 7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.152 -1.959 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.216 -4.060 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.682 -4.486 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.317 -4.927 7.152 1.00 0.00 H new ATOM 190 N GLU A 17 -4.747 -1.492 10.818 1.00 0.00 N ATOM 191 CA GLU A 17 -4.690 -0.267 11.598 1.00 0.00 C ATOM 192 C GLU A 17 -3.934 0.817 10.829 1.00 0.00 C ATOM 193 O GLU A 17 -4.423 1.935 10.680 1.00 0.00 O ATOM 194 CB GLU A 17 -4.052 -0.516 12.966 1.00 0.00 C ATOM 195 CG GLU A 17 -3.533 0.788 13.574 1.00 0.00 C ATOM 196 CD GLU A 17 -3.148 0.594 15.043 1.00 0.00 C ATOM 197 OE1 GLU A 17 -3.854 -0.190 15.715 1.00 0.00 O ATOM 198 OE2 GLU A 17 -2.158 1.232 15.460 1.00 0.00 O ATOM 0 H GLU A 17 -4.110 -2.226 11.129 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.709 0.080 11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.784 -0.968 13.636 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.231 -1.226 12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.668 1.137 13.011 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.298 1.560 13.494 1.00 0.00 H new ATOM 203 N ARG A 18 -2.750 0.448 10.360 1.00 0.00 N ATOM 204 CA ARG A 18 -1.920 1.376 9.610 1.00 0.00 C ATOM 205 C ARG A 18 -0.589 0.717 9.239 1.00 0.00 C ATOM 206 O ARG A 18 -0.219 -0.308 9.812 1.00 0.00 O ATOM 207 CB ARG A 18 -1.646 2.645 10.417 1.00 0.00 C ATOM 208 CG ARG A 18 -0.436 2.462 11.336 1.00 0.00 C ATOM 209 CD ARG A 18 -0.174 3.724 12.157 1.00 0.00 C ATOM 210 NE ARG A 18 -1.309 3.979 13.072 1.00 0.00 N ATOM 211 CZ ARG A 18 -1.453 5.094 13.800 1.00 0.00 C ATOM 212 NH1 ARG A 18 -0.533 6.065 13.725 1.00 0.00 N ATOM 213 NH2 ARG A 18 -2.516 5.238 14.603 1.00 0.00 N ATOM 0 H ARG A 18 -2.346 -0.480 10.485 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.461 1.646 8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.469 3.480 9.739 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.524 2.898 11.012 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.607 1.618 12.005 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.445 2.223 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.747 3.610 12.730 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.033 4.577 11.493 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.028 3.260 13.153 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.276 5.955 13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.642 6.915 14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.216 4.498 14.660 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.625 6.087 15.157 1.00 0.00 H new ATOM 224 N ILE A 19 0.093 1.331 8.285 1.00 0.00 N ATOM 225 CA ILE A 19 1.374 0.817 7.832 1.00 0.00 C ATOM 226 C ILE A 19 2.493 1.429 8.678 1.00 0.00 C ATOM 227 O ILE A 19 2.564 2.647 8.831 1.00 0.00 O ATOM 228 CB ILE A 19 1.543 1.049 6.328 1.00 0.00 C ATOM 229 CG1 ILE A 19 0.232 0.796 5.584 1.00 0.00 C ATOM 230 CG2 ILE A 19 2.692 0.207 5.770 1.00 0.00 C ATOM 231 CD1 ILE A 19 -0.056 -0.703 5.473 1.00 0.00 C ATOM 0 H ILE A 19 -0.217 2.180 7.813 1.00 0.00 H new ATOM 0 HA ILE A 19 1.422 -0.263 7.972 1.00 0.00 H new ATOM 0 HB ILE A 19 1.805 2.095 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.588 1.290 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.285 1.234 4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.791 0.390 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.620 0.480 6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.485 -0.850 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.994 -0.855 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.754 -1.190 4.929 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.133 -1.134 6.471 1.00 0.00 H new ATOM 242 N VAL A 20 3.337 0.555 9.206 1.00 0.00 N ATOM 243 CA VAL A 20 4.448 0.994 10.034 1.00 0.00 C ATOM 244 C VAL A 20 5.752 0.848 9.248 1.00 0.00 C ATOM 245 O VAL A 20 6.782 1.395 9.639 1.00 0.00 O ATOM 246 CB VAL A 20 4.455 0.220 11.354 1.00 0.00 C ATOM 247 CG1 VAL A 20 4.362 1.173 12.548 1.00 0.00 C ATOM 248 CG2 VAL A 20 3.329 -0.815 11.388 1.00 0.00 C ATOM 0 H VAL A 20 3.274 -0.455 9.077 1.00 0.00 H new ATOM 0 HA VAL A 20 4.340 2.048 10.292 1.00 0.00 H new ATOM 0 HB VAL A 20 5.402 -0.314 11.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.369 0.598 13.474 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.213 1.854 12.537 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.438 1.747 12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.356 -1.351 12.337 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.368 -0.311 11.284 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.459 -1.521 10.568 1.00 0.00 H new ATOM 258 N ASP A 21 5.666 0.106 8.153 1.00 0.00 N ATOM 259 CA ASP A 21 6.827 -0.119 7.309 1.00 0.00 C ATOM 260 C ASP A 21 6.385 -0.806 6.014 1.00 0.00 C ATOM 261 O ASP A 21 5.247 -1.259 5.905 1.00 0.00 O ATOM 262 CB ASP A 21 7.844 -1.028 8.001 1.00 0.00 C ATOM 263 CG ASP A 21 9.301 -0.795 7.597 1.00 0.00 C ATOM 264 OD1 ASP A 21 9.509 0.015 6.668 1.00 0.00 O ATOM 265 OD2 ASP A 21 10.174 -1.432 8.225 1.00 0.00 O ATOM 0 H ASP A 21 4.810 -0.347 7.831 1.00 0.00 H new ATOM 0 HA ASP A 21 7.287 0.848 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.756 -0.892 9.079 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.585 -2.065 7.788 1.00 0.00 H new ATOM 269 N LYS A 22 7.309 -0.859 5.065 1.00 0.00 N ATOM 270 CA LYS A 22 7.028 -1.482 3.783 1.00 0.00 C ATOM 271 C LYS A 22 8.343 -1.919 3.135 1.00 0.00 C ATOM 272 O LYS A 22 9.337 -1.196 3.189 1.00 0.00 O ATOM 273 CB LYS A 22 6.191 -0.548 2.905 1.00 0.00 C ATOM 274 CG LYS A 22 6.072 -1.096 1.482 1.00 0.00 C ATOM 275 CD LYS A 22 6.256 0.019 0.450 1.00 0.00 C ATOM 276 CE LYS A 22 7.194 -0.425 -0.674 1.00 0.00 C ATOM 277 NZ LYS A 22 7.607 0.737 -1.494 1.00 0.00 N ATOM 0 H LYS A 22 8.252 -0.481 5.159 1.00 0.00 H new ATOM 0 HA LYS A 22 6.425 -2.379 3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.197 -0.430 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.648 0.441 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.821 -1.871 1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.096 -1.563 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.288 0.297 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.660 0.907 0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.074 -0.910 -0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.695 -1.162 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.243 0.418 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.766 1.183 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.102 1.427 -0.894 1.00 0.00 H new ATOM 287 N ARG A 23 8.308 -3.101 2.538 1.00 0.00 N ATOM 288 CA ARG A 23 9.485 -3.643 1.880 1.00 0.00 C ATOM 289 C ARG A 23 9.085 -4.759 0.913 1.00 0.00 C ATOM 290 O ARG A 23 7.902 -5.059 0.760 1.00 0.00 O ATOM 291 CB ARG A 23 10.481 -4.195 2.901 1.00 0.00 C ATOM 292 CG ARG A 23 11.730 -3.315 2.980 1.00 0.00 C ATOM 293 CD ARG A 23 12.817 -3.820 2.028 1.00 0.00 C ATOM 294 NE ARG A 23 14.097 -3.132 2.311 1.00 0.00 N ATOM 295 CZ ARG A 23 14.899 -3.431 3.342 1.00 0.00 C ATOM 296 NH1 ARG A 23 14.558 -4.407 4.194 1.00 0.00 N ATOM 297 NH2 ARG A 23 16.041 -2.753 3.521 1.00 0.00 N ATOM 0 H ARG A 23 7.483 -3.699 2.496 1.00 0.00 H new ATOM 0 HA ARG A 23 9.960 -2.832 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.009 -4.251 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.764 -5.211 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.471 -2.286 2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.110 -3.308 4.001 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.940 -4.897 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.519 -3.641 0.995 1.00 0.00 H new ATOM 0 HE ARG A 23 14.387 -2.383 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.688 -4.922 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.168 -4.635 4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.300 -2.009 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.652 -2.981 4.306 1.00 0.00 H new ATOM 308 N LYS A 24 10.095 -5.344 0.285 1.00 0.00 N ATOM 309 CA LYS A 24 9.864 -6.421 -0.663 1.00 0.00 C ATOM 310 C LYS A 24 10.515 -7.703 -0.141 1.00 0.00 C ATOM 311 O LYS A 24 11.378 -7.653 0.734 1.00 0.00 O ATOM 312 CB LYS A 24 10.339 -6.015 -2.060 1.00 0.00 C ATOM 313 CG LYS A 24 9.193 -6.092 -3.072 1.00 0.00 C ATOM 314 CD LYS A 24 9.692 -5.797 -4.487 1.00 0.00 C ATOM 315 CE LYS A 24 10.094 -4.328 -4.632 1.00 0.00 C ATOM 316 NZ LYS A 24 8.895 -3.461 -4.656 1.00 0.00 N ATOM 0 H LYS A 24 11.075 -5.092 0.414 1.00 0.00 H new ATOM 0 HA LYS A 24 8.797 -6.622 -0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.737 -5.001 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.152 -6.668 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.741 -7.084 -3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.415 -5.379 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.545 -6.435 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.912 -6.037 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.742 -4.039 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.667 -4.191 -5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.780 -3.054 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.054 -4.025 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.007 -2.694 -3.962 1.00 0.00 H new ATOM 326 N ASN A 25 10.076 -8.822 -0.700 1.00 0.00 N ATOM 327 CA ASN A 25 10.606 -10.115 -0.301 1.00 0.00 C ATOM 328 C ASN A 25 11.652 -10.569 -1.321 1.00 0.00 C ATOM 329 O ASN A 25 11.792 -9.965 -2.383 1.00 0.00 O ATOM 330 CB ASN A 25 9.501 -11.172 -0.255 1.00 0.00 C ATOM 331 CG ASN A 25 8.381 -10.753 0.701 1.00 0.00 C ATOM 332 OD1 ASN A 25 8.406 -11.032 1.888 1.00 0.00 O ATOM 333 ND2 ASN A 25 7.401 -10.070 0.118 1.00 0.00 N ATOM 0 H ASN A 25 9.360 -8.860 -1.425 1.00 0.00 H new ATOM 0 HA ASN A 25 11.045 -10.008 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.094 -11.321 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.919 -12.127 0.065 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.607 -9.745 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.443 -9.871 -0.881 1.00 0.00 H new ATOM 339 N LYS A 26 12.361 -11.629 -0.962 1.00 0.00 N ATOM 340 CA LYS A 26 13.390 -12.171 -1.832 1.00 0.00 C ATOM 341 C LYS A 26 12.773 -12.520 -3.188 1.00 0.00 C ATOM 342 O LYS A 26 13.453 -12.476 -4.212 1.00 0.00 O ATOM 343 CB LYS A 26 14.097 -13.348 -1.157 1.00 0.00 C ATOM 344 CG LYS A 26 15.152 -13.957 -2.083 1.00 0.00 C ATOM 345 CD LYS A 26 14.578 -15.139 -2.866 1.00 0.00 C ATOM 346 CE LYS A 26 14.390 -16.358 -1.961 1.00 0.00 C ATOM 347 NZ LYS A 26 15.171 -17.507 -2.470 1.00 0.00 N ATOM 0 H LYS A 26 12.243 -12.127 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 26 14.165 -11.427 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.569 -13.013 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.365 -14.108 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.514 -13.198 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.009 -14.287 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.621 -14.858 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.246 -15.393 -3.689 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.706 -16.117 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.334 -16.622 -1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.032 -18.326 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.850 -17.747 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.180 -17.257 -2.494 1.00 0.00 H new ATOM 357 N LYS A 27 11.493 -12.858 -3.150 1.00 0.00 N ATOM 358 CA LYS A 27 10.778 -13.214 -4.364 1.00 0.00 C ATOM 359 C LYS A 27 10.532 -11.953 -5.195 1.00 0.00 C ATOM 360 O LYS A 27 10.545 -12.002 -6.423 1.00 0.00 O ATOM 361 CB LYS A 27 9.501 -13.986 -4.025 1.00 0.00 C ATOM 362 CG LYS A 27 9.828 -15.391 -3.516 1.00 0.00 C ATOM 363 CD LYS A 27 8.698 -16.370 -3.842 1.00 0.00 C ATOM 364 CE LYS A 27 9.256 -17.730 -4.268 1.00 0.00 C ATOM 365 NZ LYS A 27 9.801 -17.658 -5.642 1.00 0.00 N ATOM 0 H LYS A 27 10.933 -12.893 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 27 11.378 -13.887 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.934 -13.444 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.867 -14.054 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.757 -15.738 -3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.990 -15.363 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.056 -16.493 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.077 -15.962 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.038 -18.042 -3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.470 -18.483 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.972 -18.620 -5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.119 -17.175 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.696 -17.128 -5.633 1.00 0.00 H new ATOM 375 N GLY A 28 10.312 -10.853 -4.490 1.00 0.00 N ATOM 376 CA GLY A 28 10.063 -9.581 -5.147 1.00 0.00 C ATOM 377 C GLY A 28 8.648 -9.079 -4.853 1.00 0.00 C ATOM 378 O GLY A 28 8.200 -8.094 -5.439 1.00 0.00 O ATOM 0 H GLY A 28 10.301 -10.816 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.792 -8.844 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.197 -9.691 -6.223 1.00 0.00 H new ATOM 382 N LYS A 29 7.983 -9.781 -3.946 1.00 0.00 N ATOM 383 CA LYS A 29 6.627 -9.419 -3.568 1.00 0.00 C ATOM 384 C LYS A 29 6.671 -8.234 -2.601 1.00 0.00 C ATOM 385 O LYS A 29 7.467 -8.222 -1.664 1.00 0.00 O ATOM 386 CB LYS A 29 5.882 -10.636 -3.017 1.00 0.00 C ATOM 387 CG LYS A 29 5.868 -11.778 -4.035 1.00 0.00 C ATOM 388 CD LYS A 29 4.595 -11.741 -4.883 1.00 0.00 C ATOM 389 CE LYS A 29 3.557 -12.735 -4.356 1.00 0.00 C ATOM 390 NZ LYS A 29 2.301 -12.630 -5.130 1.00 0.00 N ATOM 0 H LYS A 29 8.358 -10.597 -3.463 1.00 0.00 H new ATOM 0 HA LYS A 29 6.061 -9.097 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.358 -10.971 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.859 -10.357 -2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.742 -11.704 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.936 -12.734 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.177 -10.734 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.837 -11.977 -5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.949 -13.750 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.359 -12.539 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.607 -13.311 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.920 -11.666 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.491 -12.839 -6.131 1.00 0.00 H new ATOM 400 N THR A 30 5.805 -7.266 -2.862 1.00 0.00 N ATOM 401 CA THR A 30 5.734 -6.080 -2.027 1.00 0.00 C ATOM 402 C THR A 30 4.983 -6.385 -0.729 1.00 0.00 C ATOM 403 O THR A 30 3.884 -6.935 -0.758 1.00 0.00 O ATOM 404 CB THR A 30 5.095 -4.959 -2.849 1.00 0.00 C ATOM 405 OG1 THR A 30 6.083 -4.637 -3.824 1.00 0.00 O ATOM 406 CG2 THR A 30 4.927 -3.667 -2.048 1.00 0.00 C ATOM 0 H THR A 30 5.146 -7.279 -3.641 1.00 0.00 H new ATOM 0 HA THR A 30 6.728 -5.752 -1.722 1.00 0.00 H new ATOM 0 HB THR A 30 4.122 -5.287 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.750 -3.919 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.469 -2.905 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.289 -3.855 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.903 -3.319 -1.709 1.00 0.00 H new ATOM 414 N GLU A 31 5.608 -6.015 0.380 1.00 0.00 N ATOM 415 CA GLU A 31 5.013 -6.242 1.685 1.00 0.00 C ATOM 416 C GLU A 31 4.893 -4.923 2.451 1.00 0.00 C ATOM 417 O GLU A 31 5.710 -4.021 2.272 1.00 0.00 O ATOM 418 CB GLU A 31 5.819 -7.268 2.484 1.00 0.00 C ATOM 419 CG GLU A 31 7.286 -6.849 2.592 1.00 0.00 C ATOM 420 CD GLU A 31 7.985 -7.591 3.734 1.00 0.00 C ATOM 421 OE1 GLU A 31 7.664 -8.785 3.915 1.00 0.00 O ATOM 422 OE2 GLU A 31 8.826 -6.947 4.398 1.00 0.00 O ATOM 0 H GLU A 31 6.520 -5.560 0.401 1.00 0.00 H new ATOM 0 HA GLU A 31 4.012 -6.648 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.393 -7.373 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.750 -8.244 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.797 -7.056 1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.350 -5.774 2.759 1.00 0.00 H new ATOM 427 N TYR A 32 3.868 -4.852 3.288 1.00 0.00 N ATOM 428 CA TYR A 32 3.631 -3.659 4.082 1.00 0.00 C ATOM 429 C TYR A 32 3.389 -4.016 5.550 1.00 0.00 C ATOM 430 O TYR A 32 2.445 -4.736 5.870 1.00 0.00 O ATOM 431 CB TYR A 32 2.365 -3.017 3.510 1.00 0.00 C ATOM 432 CG TYR A 32 2.592 -2.242 2.210 1.00 0.00 C ATOM 433 CD1 TYR A 32 3.021 -0.931 2.255 1.00 0.00 C ATOM 434 CD2 TYR A 32 2.369 -2.854 0.994 1.00 0.00 C ATOM 435 CE1 TYR A 32 3.236 -0.202 1.032 1.00 0.00 C ATOM 436 CE2 TYR A 32 2.583 -2.125 -0.229 1.00 0.00 C ATOM 437 CZ TYR A 32 3.007 -0.835 -0.150 1.00 0.00 C ATOM 438 OH TYR A 32 3.209 -0.146 -1.305 1.00 0.00 O ATOM 0 H TYR A 32 3.192 -5.602 3.433 1.00 0.00 H new ATOM 0 HA TYR A 32 4.493 -2.993 4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.624 -3.796 3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.944 -2.341 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.195 -0.452 3.207 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.034 -3.880 0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.572 0.824 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.411 -2.592 -1.188 1.00 0.00 H new ATOM 0 HH TYR A 32 3.007 -0.724 -2.070 1.00 0.00 H new ATOM 447 N LEU A 33 4.257 -3.494 6.403 1.00 0.00 N ATOM 448 CA LEU A 33 4.150 -3.748 7.830 1.00 0.00 C ATOM 449 C LEU A 33 2.936 -3.002 8.386 1.00 0.00 C ATOM 450 O LEU A 33 2.918 -1.772 8.416 1.00 0.00 O ATOM 451 CB LEU A 33 5.462 -3.401 8.537 1.00 0.00 C ATOM 452 CG LEU A 33 5.477 -3.591 10.054 1.00 0.00 C ATOM 453 CD1 LEU A 33 5.926 -5.007 10.425 1.00 0.00 C ATOM 454 CD2 LEU A 33 6.336 -2.522 10.733 1.00 0.00 C ATOM 0 H LEU A 33 5.038 -2.896 6.134 1.00 0.00 H new ATOM 0 HA LEU A 33 3.986 -4.809 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.256 -4.011 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.705 -2.361 8.319 1.00 0.00 H new ATOM 0 HG LEU A 33 4.459 -3.468 10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.928 -5.116 11.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.239 -5.732 9.989 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.931 -5.182 10.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.329 -2.681 11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.359 -2.588 10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.932 -1.535 10.509 1.00 0.00 H new ATOM 465 N VAL A 34 1.949 -3.777 8.813 1.00 0.00 N ATOM 466 CA VAL A 34 0.734 -3.205 9.367 1.00 0.00 C ATOM 467 C VAL A 34 0.593 -3.636 10.829 1.00 0.00 C ATOM 468 O VAL A 34 1.157 -4.650 11.238 1.00 0.00 O ATOM 469 CB VAL A 34 -0.469 -3.601 8.509 1.00 0.00 C ATOM 470 CG1 VAL A 34 -0.197 -4.900 7.749 1.00 0.00 C ATOM 471 CG2 VAL A 34 -1.735 -3.718 9.359 1.00 0.00 C ATOM 0 H VAL A 34 1.967 -4.796 8.786 1.00 0.00 H new ATOM 0 HA VAL A 34 0.783 -2.116 9.352 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.631 -2.811 7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.068 -5.159 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.667 -4.767 7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.004 -5.702 8.459 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.575 -4.001 8.724 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.589 -4.478 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.945 -2.759 9.833 1.00 0.00 H new ATOM 481 N ARG A 35 -0.163 -2.844 11.575 1.00 0.00 N ATOM 482 CA ARG A 35 -0.386 -3.131 12.982 1.00 0.00 C ATOM 483 C ARG A 35 -1.709 -3.877 13.169 1.00 0.00 C ATOM 484 O ARG A 35 -2.450 -4.082 12.210 1.00 0.00 O ATOM 485 CB ARG A 35 -0.413 -1.844 13.809 1.00 0.00 C ATOM 486 CG ARG A 35 0.725 -1.826 14.833 1.00 0.00 C ATOM 487 CD ARG A 35 0.396 -0.894 16.001 1.00 0.00 C ATOM 488 NE ARG A 35 0.627 -1.591 17.285 1.00 0.00 N ATOM 489 CZ ARG A 35 0.147 -1.171 18.464 1.00 0.00 C ATOM 490 NH1 ARG A 35 -0.592 -0.056 18.528 1.00 0.00 N ATOM 491 NH2 ARG A 35 0.407 -1.868 19.579 1.00 0.00 N ATOM 0 H ARG A 35 -0.629 -2.004 11.232 1.00 0.00 H new ATOM 0 HA ARG A 35 0.438 -3.755 13.328 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.326 -0.981 13.149 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.371 -1.757 14.323 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.899 -2.835 15.206 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.647 -1.500 14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.015 0.002 15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.642 -0.569 15.936 1.00 0.00 H new ATOM 0 HE ARG A 35 1.186 -2.444 17.273 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.790 0.474 17.679 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.957 0.263 19.425 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.970 -2.717 19.530 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.042 -1.549 20.477 1.00 0.00 H new ATOM 502 N TRP A 36 -1.963 -4.261 14.411 1.00 0.00 N ATOM 503 CA TRP A 36 -3.184 -4.980 14.736 1.00 0.00 C ATOM 504 C TRP A 36 -3.381 -4.916 16.252 1.00 0.00 C ATOM 505 O TRP A 36 -2.557 -4.343 16.965 1.00 0.00 O ATOM 506 CB TRP A 36 -3.137 -6.412 14.200 1.00 0.00 C ATOM 507 CG TRP A 36 -2.365 -6.559 12.886 1.00 0.00 C ATOM 508 CD1 TRP A 36 -1.048 -6.733 12.718 1.00 0.00 C ATOM 509 CD2 TRP A 36 -2.923 -6.539 11.555 1.00 0.00 C ATOM 510 NE1 TRP A 36 -0.716 -6.825 11.382 1.00 0.00 N ATOM 511 CE2 TRP A 36 -1.893 -6.704 10.652 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.253 -6.385 11.129 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -2.086 -6.732 9.266 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -4.430 -6.416 9.740 1.00 0.00 C ATOM 515 CH2 TRP A 36 -3.403 -6.581 8.818 1.00 0.00 C ATOM 0 H TRP A 36 -1.345 -4.088 15.204 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.044 -4.517 14.253 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.681 -7.056 14.952 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.157 -6.768 14.052 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.335 -6.794 13.527 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.221 -6.957 11.000 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.074 -6.253 11.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.263 -6.863 8.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.434 -6.304 9.359 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.621 -6.593 7.760 1.00 0.00 H new ATOM 525 N LYS A 37 -4.476 -5.511 16.701 1.00 0.00 N ATOM 526 CA LYS A 37 -4.792 -5.529 18.119 1.00 0.00 C ATOM 527 C LYS A 37 -4.966 -6.977 18.580 1.00 0.00 C ATOM 528 O LYS A 37 -5.178 -7.871 17.763 1.00 0.00 O ATOM 529 CB LYS A 37 -6.003 -4.641 18.409 1.00 0.00 C ATOM 530 CG LYS A 37 -5.574 -3.323 19.058 1.00 0.00 C ATOM 531 CD LYS A 37 -6.482 -2.969 20.237 1.00 0.00 C ATOM 532 CE LYS A 37 -6.560 -1.455 20.435 1.00 0.00 C ATOM 533 NZ LYS A 37 -7.807 -1.088 21.142 1.00 0.00 N ATOM 0 H LYS A 37 -5.156 -5.985 16.107 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.971 -5.107 18.698 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.539 -4.437 17.482 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.694 -5.167 19.068 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.542 -3.402 19.400 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.604 -2.523 18.318 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.481 -3.368 20.063 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.104 -3.439 21.145 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.697 -1.112 21.006 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.522 -0.953 19.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.844 -0.056 21.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.627 -1.398 20.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.828 -1.551 22.073 1.00 0.00 H new ATOM 543 N GLY A 38 -4.870 -7.164 19.888 1.00 0.00 N ATOM 544 CA GLY A 38 -5.014 -8.488 20.468 1.00 0.00 C ATOM 545 C GLY A 38 -3.672 -9.221 20.504 1.00 0.00 C ATOM 546 O GLY A 38 -3.233 -9.668 21.562 1.00 0.00 O ATOM 0 H GLY A 38 -4.694 -6.420 20.563 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.414 -8.404 21.479 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.733 -9.067 19.888 1.00 0.00 H new ATOM 550 N TYR A 39 -3.058 -9.321 19.334 1.00 0.00 N ATOM 551 CA TYR A 39 -1.774 -9.992 19.218 1.00 0.00 C ATOM 552 C TYR A 39 -0.653 -9.136 19.812 1.00 0.00 C ATOM 553 O TYR A 39 -0.774 -7.915 19.889 1.00 0.00 O ATOM 554 CB TYR A 39 -1.525 -10.169 17.719 1.00 0.00 C ATOM 555 CG TYR A 39 -0.769 -9.007 17.071 1.00 0.00 C ATOM 556 CD1 TYR A 39 -1.423 -7.821 16.805 1.00 0.00 C ATOM 557 CD2 TYR A 39 0.567 -9.145 16.754 1.00 0.00 C ATOM 558 CE1 TYR A 39 -0.712 -6.728 16.196 1.00 0.00 C ATOM 559 CE2 TYR A 39 1.278 -8.050 16.145 1.00 0.00 C ATOM 560 CZ TYR A 39 0.603 -6.896 15.896 1.00 0.00 C ATOM 561 OH TYR A 39 1.275 -5.862 15.320 1.00 0.00 O ATOM 0 H TYR A 39 -3.426 -8.949 18.458 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.786 -10.941 19.754 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.961 -11.088 17.561 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.483 -10.292 17.214 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.468 -7.713 17.054 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.079 -10.073 16.962 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.212 -5.795 15.982 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.324 -8.144 15.892 1.00 0.00 H new ATOM 0 HH TYR A 39 2.218 -5.898 15.583 1.00 0.00 H new ATOM 570 N ASP A 40 0.413 -9.812 20.215 1.00 0.00 N ATOM 571 CA ASP A 40 1.555 -9.130 20.798 1.00 0.00 C ATOM 572 C ASP A 40 2.120 -8.132 19.785 1.00 0.00 C ATOM 573 O ASP A 40 2.110 -8.391 18.582 1.00 0.00 O ATOM 574 CB ASP A 40 2.664 -10.120 21.157 1.00 0.00 C ATOM 575 CG ASP A 40 2.179 -11.484 21.650 1.00 0.00 C ATOM 576 OD1 ASP A 40 1.997 -12.368 20.784 1.00 0.00 O ATOM 577 OD2 ASP A 40 1.999 -11.613 22.880 1.00 0.00 O ATOM 0 H ASP A 40 0.509 -10.825 20.149 1.00 0.00 H new ATOM 0 HA ASP A 40 1.219 -8.623 21.702 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.294 -10.270 20.280 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.292 -9.674 21.928 1.00 0.00 H new ATOM 581 N SER A 41 2.601 -7.014 20.308 1.00 0.00 N ATOM 582 CA SER A 41 3.170 -5.977 19.464 1.00 0.00 C ATOM 583 C SER A 41 4.465 -6.478 18.820 1.00 0.00 C ATOM 584 O SER A 41 4.830 -6.042 17.730 1.00 0.00 O ATOM 585 CB SER A 41 3.434 -4.700 20.263 1.00 0.00 C ATOM 586 OG SER A 41 3.933 -3.649 19.439 1.00 0.00 O ATOM 0 H SER A 41 2.608 -6.803 21.306 1.00 0.00 H new ATOM 0 HA SER A 41 2.450 -5.741 18.680 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.511 -4.376 20.745 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.151 -4.910 21.057 1.00 0.00 H new ATOM 0 HG SER A 41 4.088 -2.850 19.985 1.00 0.00 H new ATOM 591 N GLU A 42 5.124 -7.387 19.523 1.00 0.00 N ATOM 592 CA GLU A 42 6.371 -7.953 19.034 1.00 0.00 C ATOM 593 C GLU A 42 6.089 -9.158 18.136 1.00 0.00 C ATOM 594 O GLU A 42 6.912 -10.068 18.036 1.00 0.00 O ATOM 595 CB GLU A 42 7.291 -8.335 20.194 1.00 0.00 C ATOM 596 CG GLU A 42 8.357 -7.262 20.425 1.00 0.00 C ATOM 597 CD GLU A 42 9.691 -7.893 20.830 1.00 0.00 C ATOM 598 OE1 GLU A 42 9.722 -8.504 21.920 1.00 0.00 O ATOM 599 OE2 GLU A 42 10.649 -7.750 20.040 1.00 0.00 O ATOM 0 H GLU A 42 4.818 -7.746 20.427 1.00 0.00 H new ATOM 0 HA GLU A 42 6.885 -7.196 18.442 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.702 -8.469 21.101 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.771 -9.290 19.982 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.489 -6.674 19.517 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.024 -6.575 21.203 1.00 0.00 H new ATOM 604 N ASP A 43 4.925 -9.127 17.504 1.00 0.00 N ATOM 605 CA ASP A 43 4.526 -10.206 16.616 1.00 0.00 C ATOM 606 C ASP A 43 4.096 -9.622 15.270 1.00 0.00 C ATOM 607 O ASP A 43 3.497 -10.316 14.451 1.00 0.00 O ATOM 608 CB ASP A 43 3.342 -10.985 17.194 1.00 0.00 C ATOM 609 CG ASP A 43 3.706 -12.306 17.874 1.00 0.00 C ATOM 610 OD1 ASP A 43 4.454 -12.243 18.873 1.00 0.00 O ATOM 611 OD2 ASP A 43 3.228 -13.350 17.379 1.00 0.00 O ATOM 0 H ASP A 43 4.245 -8.371 17.589 1.00 0.00 H new ATOM 0 HA ASP A 43 5.377 -10.877 16.498 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.828 -10.351 17.917 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.635 -11.190 16.390 1.00 0.00 H new ATOM 615 N ASP A 44 4.418 -8.350 15.083 1.00 0.00 N ATOM 616 CA ASP A 44 4.074 -7.664 13.850 1.00 0.00 C ATOM 617 C ASP A 44 4.233 -8.628 12.674 1.00 0.00 C ATOM 618 O ASP A 44 5.004 -9.584 12.749 1.00 0.00 O ATOM 619 CB ASP A 44 4.995 -6.467 13.609 1.00 0.00 C ATOM 620 CG ASP A 44 6.264 -6.445 14.465 1.00 0.00 C ATOM 621 OD1 ASP A 44 7.013 -7.443 14.394 1.00 0.00 O ATOM 622 OD2 ASP A 44 6.455 -5.431 15.170 1.00 0.00 O ATOM 0 H ASP A 44 4.914 -7.777 15.766 1.00 0.00 H new ATOM 0 HA ASP A 44 3.045 -7.315 13.935 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.283 -6.455 12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.433 -5.552 13.795 1.00 0.00 H new ATOM 626 N THR A 45 3.493 -8.343 11.611 1.00 0.00 N ATOM 627 CA THR A 45 3.543 -9.174 10.420 1.00 0.00 C ATOM 628 C THR A 45 3.681 -8.304 9.169 1.00 0.00 C ATOM 629 O THR A 45 3.375 -7.113 9.200 1.00 0.00 O ATOM 630 CB THR A 45 2.296 -10.060 10.408 1.00 0.00 C ATOM 631 OG1 THR A 45 2.090 -10.353 9.029 1.00 0.00 O ATOM 632 CG2 THR A 45 1.033 -9.300 10.820 1.00 0.00 C ATOM 0 H THR A 45 2.856 -7.549 11.550 1.00 0.00 H new ATOM 0 HA THR A 45 4.420 -9.822 10.427 1.00 0.00 H new ATOM 0 HB THR A 45 2.446 -10.905 11.079 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.301 -10.926 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.178 -9.975 10.795 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.157 -8.909 11.830 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.864 -8.474 10.129 1.00 0.00 H new ATOM 640 N TRP A 46 4.143 -8.933 8.098 1.00 0.00 N ATOM 641 CA TRP A 46 4.325 -8.231 6.839 1.00 0.00 C ATOM 642 C TRP A 46 3.317 -8.791 5.835 1.00 0.00 C ATOM 643 O TRP A 46 3.453 -9.926 5.382 1.00 0.00 O ATOM 644 CB TRP A 46 5.774 -8.338 6.357 1.00 0.00 C ATOM 645 CG TRP A 46 6.764 -7.499 7.166 1.00 0.00 C ATOM 646 CD1 TRP A 46 7.284 -7.770 8.371 1.00 0.00 C ATOM 647 CD2 TRP A 46 7.336 -6.232 6.778 1.00 0.00 C ATOM 648 NE1 TRP A 46 8.145 -6.775 8.787 1.00 0.00 N ATOM 649 CE2 TRP A 46 8.177 -5.810 7.787 1.00 0.00 C ATOM 650 CE3 TRP A 46 7.148 -5.467 5.613 1.00 0.00 C ATOM 651 CZ2 TRP A 46 8.899 -4.611 7.733 1.00 0.00 C ATOM 652 CZ3 TRP A 46 7.874 -4.271 5.574 1.00 0.00 C ATOM 653 CH2 TRP A 46 8.726 -3.833 6.581 1.00 0.00 C ATOM 0 H TRP A 46 4.397 -9.921 8.076 1.00 0.00 H new ATOM 0 HA TRP A 46 4.137 -7.164 6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 46 6.083 -9.383 6.396 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.822 -8.030 5.312 1.00 0.00 H new ATOM 0 HD1 TRP A 46 7.058 -8.656 8.945 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.662 -6.752 9.666 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.495 -5.778 4.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 9.553 -4.303 8.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.765 -3.645 4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 46 9.253 -2.896 6.476 1.00 0.00 H new ATOM 663 N GLU A 47 2.329 -7.969 5.515 1.00 0.00 N ATOM 664 CA GLU A 47 1.298 -8.368 4.572 1.00 0.00 C ATOM 665 C GLU A 47 1.554 -7.733 3.205 1.00 0.00 C ATOM 666 O GLU A 47 1.908 -6.557 3.119 1.00 0.00 O ATOM 667 CB GLU A 47 -0.094 -8.004 5.094 1.00 0.00 C ATOM 668 CG GLU A 47 -0.436 -8.805 6.352 1.00 0.00 C ATOM 669 CD GLU A 47 -0.873 -10.227 5.992 1.00 0.00 C ATOM 670 OE1 GLU A 47 -0.315 -10.760 5.009 1.00 0.00 O ATOM 671 OE2 GLU A 47 -1.754 -10.749 6.710 1.00 0.00 O ATOM 0 H GLU A 47 2.220 -7.028 5.892 1.00 0.00 H new ATOM 0 HA GLU A 47 1.336 -9.452 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.136 -6.938 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.838 -8.198 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.431 -8.843 7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.233 -8.304 6.902 1.00 0.00 H new ATOM 676 N PRO A 48 1.360 -8.559 2.142 1.00 0.00 N ATOM 677 CA PRO A 48 1.567 -8.090 0.782 1.00 0.00 C ATOM 678 C PRO A 48 0.418 -7.186 0.333 1.00 0.00 C ATOM 679 O PRO A 48 -0.737 -7.422 0.686 1.00 0.00 O ATOM 680 CB PRO A 48 1.692 -9.353 -0.055 1.00 0.00 C ATOM 681 CG PRO A 48 1.091 -10.469 0.783 1.00 0.00 C ATOM 682 CD PRO A 48 0.942 -9.956 2.206 1.00 0.00 C ATOM 0 HA PRO A 48 2.459 -7.472 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.163 -9.248 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.735 -9.562 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.123 -10.768 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.732 -11.351 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.087 -10.046 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.563 -10.524 2.899 1.00 0.00 H new ATOM 687 N GLU A 49 0.773 -6.170 -0.439 1.00 0.00 N ATOM 688 CA GLU A 49 -0.215 -5.230 -0.940 1.00 0.00 C ATOM 689 C GLU A 49 -1.427 -5.979 -1.496 1.00 0.00 C ATOM 690 O GLU A 49 -2.561 -5.524 -1.355 1.00 0.00 O ATOM 691 CB GLU A 49 0.393 -4.308 -1.999 1.00 0.00 C ATOM 692 CG GLU A 49 -0.240 -2.916 -1.944 1.00 0.00 C ATOM 693 CD GLU A 49 -0.836 -2.531 -3.299 1.00 0.00 C ATOM 694 OE1 GLU A 49 -1.967 -2.990 -3.572 1.00 0.00 O ATOM 695 OE2 GLU A 49 -0.150 -1.786 -4.030 1.00 0.00 O ATOM 0 H GLU A 49 1.731 -5.977 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.548 -4.606 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.469 -4.228 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.246 -4.739 -2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.019 -2.897 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.511 -2.182 -1.651 1.00 0.00 H new ATOM 700 N GLN A 50 -1.147 -7.116 -2.116 1.00 0.00 N ATOM 701 CA GLN A 50 -2.200 -7.933 -2.695 1.00 0.00 C ATOM 702 C GLN A 50 -3.185 -8.374 -1.610 1.00 0.00 C ATOM 703 O GLN A 50 -4.377 -8.524 -1.872 1.00 0.00 O ATOM 704 CB GLN A 50 -1.616 -9.141 -3.430 1.00 0.00 C ATOM 705 CG GLN A 50 -2.723 -9.978 -4.073 1.00 0.00 C ATOM 706 CD GLN A 50 -2.309 -10.456 -5.467 1.00 0.00 C ATOM 707 OE1 GLN A 50 -1.178 -10.295 -5.895 1.00 0.00 O ATOM 708 NE2 GLN A 50 -3.285 -11.051 -6.147 1.00 0.00 N ATOM 0 H GLN A 50 -0.205 -7.491 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.740 -7.332 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.919 -8.803 -4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.048 -9.756 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.947 -10.838 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.636 -9.387 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.210 -11.153 -5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.109 -11.406 -7.087 1.00 0.00 H new ATOM 715 N HIS A 51 -2.649 -8.572 -0.414 1.00 0.00 N ATOM 716 CA HIS A 51 -3.465 -8.993 0.711 1.00 0.00 C ATOM 717 C HIS A 51 -4.210 -7.786 1.286 1.00 0.00 C ATOM 718 O HIS A 51 -5.341 -7.914 1.753 1.00 0.00 O ATOM 719 CB HIS A 51 -2.616 -9.718 1.758 1.00 0.00 C ATOM 720 CG HIS A 51 -2.117 -11.072 1.312 1.00 0.00 C ATOM 721 ND1 HIS A 51 -1.605 -12.008 2.193 1.00 0.00 N ATOM 722 CD2 HIS A 51 -2.059 -11.636 0.072 1.00 0.00 C ATOM 723 CE1 HIS A 51 -1.256 -13.085 1.503 1.00 0.00 C ATOM 724 NE2 HIS A 51 -1.537 -12.851 0.189 1.00 0.00 N ATOM 0 H HIS A 51 -1.659 -8.448 -0.200 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.212 -9.711 0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.761 -9.093 2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.205 -9.840 2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.383 -11.173 -0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -0.825 -13.988 1.910 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -1.373 -13.503 -0.578 1.00 0.00 H new ATOM 731 N LEU A 52 -3.546 -6.641 1.232 1.00 0.00 N ATOM 732 CA LEU A 52 -4.131 -5.412 1.741 1.00 0.00 C ATOM 733 C LEU A 52 -5.087 -4.835 0.694 1.00 0.00 C ATOM 734 O LEU A 52 -4.816 -3.786 0.112 1.00 0.00 O ATOM 735 CB LEU A 52 -3.036 -4.437 2.176 1.00 0.00 C ATOM 736 CG LEU A 52 -2.032 -4.971 3.200 1.00 0.00 C ATOM 737 CD1 LEU A 52 -0.774 -4.100 3.238 1.00 0.00 C ATOM 738 CD2 LEU A 52 -2.676 -5.107 4.580 1.00 0.00 C ATOM 0 H LEU A 52 -2.608 -6.538 0.844 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.720 -5.613 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.487 -4.119 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.512 -3.549 2.592 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.724 -5.969 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.076 -4.500 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.303 -4.098 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.045 -3.081 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.941 -5.488 5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.030 -4.132 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.517 -5.798 4.523 1.00 0.00 H new ATOM 749 N VAL A 53 -6.185 -5.547 0.485 1.00 0.00 N ATOM 750 CA VAL A 53 -7.182 -5.119 -0.480 1.00 0.00 C ATOM 751 C VAL A 53 -8.128 -4.115 0.180 1.00 0.00 C ATOM 752 O VAL A 53 -8.562 -4.318 1.313 1.00 0.00 O ATOM 753 CB VAL A 53 -7.909 -6.336 -1.056 1.00 0.00 C ATOM 754 CG1 VAL A 53 -9.071 -5.907 -1.954 1.00 0.00 C ATOM 755 CG2 VAL A 53 -6.939 -7.247 -1.812 1.00 0.00 C ATOM 0 H VAL A 53 -6.406 -6.418 0.968 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.707 -4.613 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.322 -6.904 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.570 -6.791 -2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.781 -5.319 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.690 -5.305 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.481 -8.104 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.483 -6.692 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.161 -7.594 -1.132 1.00 0.00 H new ATOM 765 N ASN A 54 -8.422 -3.054 -0.557 1.00 0.00 N ATOM 766 CA ASN A 54 -9.309 -2.018 -0.056 1.00 0.00 C ATOM 767 C ASN A 54 -8.613 -1.258 1.075 1.00 0.00 C ATOM 768 O ASN A 54 -9.234 -0.441 1.753 1.00 0.00 O ATOM 769 CB ASN A 54 -10.599 -2.620 0.502 1.00 0.00 C ATOM 770 CG ASN A 54 -11.825 -2.065 -0.226 1.00 0.00 C ATOM 771 OD1 ASN A 54 -12.337 -1.001 0.087 1.00 0.00 O ATOM 772 ND2 ASN A 54 -12.265 -2.840 -1.212 1.00 0.00 N ATOM 0 H ASN A 54 -8.062 -2.889 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.551 -1.352 -0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.572 -3.705 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.675 -2.402 1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.078 -2.557 -1.759 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.790 -3.718 -1.421 1.00 0.00 H new ATOM 778 N CYS A 55 -7.333 -1.556 1.243 1.00 0.00 N ATOM 779 CA CYS A 55 -6.545 -0.910 2.280 1.00 0.00 C ATOM 780 C CYS A 55 -5.550 0.038 1.608 1.00 0.00 C ATOM 781 O CYS A 55 -4.559 0.438 2.219 1.00 0.00 O ATOM 782 CB CYS A 55 -5.844 -1.934 3.176 1.00 0.00 C ATOM 783 SG CYS A 55 -7.006 -2.554 4.447 1.00 0.00 S ATOM 0 H CYS A 55 -6.822 -2.235 0.679 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.201 -0.338 2.937 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.475 -2.764 2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.978 -1.478 3.655 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.475 -3.569 5.062 1.00 0.00 H new ATOM 788 N GLU A 56 -5.847 0.369 0.361 1.00 0.00 N ATOM 789 CA GLU A 56 -4.991 1.263 -0.400 1.00 0.00 C ATOM 790 C GLU A 56 -4.735 2.551 0.386 1.00 0.00 C ATOM 791 O GLU A 56 -3.598 3.009 0.481 1.00 0.00 O ATOM 792 CB GLU A 56 -5.597 1.568 -1.771 1.00 0.00 C ATOM 793 CG GLU A 56 -5.176 0.518 -2.802 1.00 0.00 C ATOM 794 CD GLU A 56 -5.341 1.053 -4.227 1.00 0.00 C ATOM 795 OE1 GLU A 56 -4.695 2.081 -4.525 1.00 0.00 O ATOM 796 OE2 GLU A 56 -6.110 0.422 -4.984 1.00 0.00 O ATOM 0 H GLU A 56 -6.669 0.034 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.035 0.766 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.684 1.593 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.278 2.556 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.137 0.234 -2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.777 -0.383 -2.676 1.00 0.00 H new ATOM 801 N GLU A 57 -5.812 3.098 0.929 1.00 0.00 N ATOM 802 CA GLU A 57 -5.719 4.324 1.704 1.00 0.00 C ATOM 803 C GLU A 57 -4.481 4.292 2.601 1.00 0.00 C ATOM 804 O GLU A 57 -3.528 5.037 2.377 1.00 0.00 O ATOM 805 CB GLU A 57 -6.988 4.549 2.528 1.00 0.00 C ATOM 806 CG GLU A 57 -7.136 6.021 2.918 1.00 0.00 C ATOM 807 CD GLU A 57 -8.026 6.765 1.920 1.00 0.00 C ATOM 808 OE1 GLU A 57 -9.102 6.216 1.601 1.00 0.00 O ATOM 809 OE2 GLU A 57 -7.611 7.867 1.500 1.00 0.00 O ATOM 0 H GLU A 57 -6.754 2.715 0.848 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.621 5.161 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.859 4.232 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.956 3.933 3.426 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.564 6.095 3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.154 6.492 2.956 1.00 0.00 H new ATOM 814 N TYR A 58 -4.534 3.421 3.599 1.00 0.00 N ATOM 815 CA TYR A 58 -3.428 3.282 4.531 1.00 0.00 C ATOM 816 C TYR A 58 -2.085 3.318 3.798 1.00 0.00 C ATOM 817 O TYR A 58 -1.249 4.179 4.069 1.00 0.00 O ATOM 818 CB TYR A 58 -3.601 1.913 5.190 1.00 0.00 C ATOM 819 CG TYR A 58 -4.921 1.747 5.946 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.398 2.774 6.732 1.00 0.00 C ATOM 821 CD2 TYR A 58 -5.633 0.569 5.841 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.641 2.618 7.444 1.00 0.00 C ATOM 823 CE2 TYR A 58 -6.874 0.414 6.552 1.00 0.00 C ATOM 824 CZ TYR A 58 -7.318 1.446 7.319 1.00 0.00 C ATOM 825 OH TYR A 58 -8.490 1.299 7.992 1.00 0.00 O ATOM 0 H TYR A 58 -5.326 2.805 3.782 1.00 0.00 H new ATOM 0 HA TYR A 58 -3.431 4.097 5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.534 1.141 4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.775 1.747 5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.840 3.695 6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.259 -0.236 5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.026 3.415 8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.441 -0.502 6.478 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.864 0.412 7.808 1.00 0.00 H new ATOM 834 N ILE A 59 -1.921 2.372 2.886 1.00 0.00 N ATOM 835 CA ILE A 59 -0.694 2.284 2.112 1.00 0.00 C ATOM 836 C ILE A 59 -0.400 3.644 1.474 1.00 0.00 C ATOM 837 O ILE A 59 0.704 4.169 1.606 1.00 0.00 O ATOM 838 CB ILE A 59 -0.778 1.137 1.103 1.00 0.00 C ATOM 839 CG1 ILE A 59 -1.024 -0.197 1.809 1.00 0.00 C ATOM 840 CG2 ILE A 59 0.468 1.094 0.216 1.00 0.00 C ATOM 841 CD1 ILE A 59 -1.701 -1.198 0.871 1.00 0.00 C ATOM 0 H ILE A 59 -2.617 1.660 2.665 1.00 0.00 H new ATOM 0 HA ILE A 59 0.149 2.046 2.760 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.632 1.319 0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.077 -0.606 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.648 -0.037 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.382 0.270 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.559 2.033 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.352 0.949 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.864 -2.138 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.659 -0.796 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.063 -1.374 0.005 1.00 0.00 H new ATOM 852 N HIS A 60 -1.407 4.174 0.796 1.00 0.00 N ATOM 853 CA HIS A 60 -1.271 5.462 0.138 1.00 0.00 C ATOM 854 C HIS A 60 -0.734 6.492 1.133 1.00 0.00 C ATOM 855 O HIS A 60 0.354 7.037 0.942 1.00 0.00 O ATOM 856 CB HIS A 60 -2.593 5.888 -0.502 1.00 0.00 C ATOM 857 CG HIS A 60 -2.797 5.361 -1.902 1.00 0.00 C ATOM 858 ND1 HIS A 60 -2.575 6.129 -3.032 1.00 0.00 N ATOM 859 CD2 HIS A 60 -3.203 4.135 -2.342 1.00 0.00 C ATOM 860 CE1 HIS A 60 -2.840 5.388 -4.098 1.00 0.00 C ATOM 861 NE2 HIS A 60 -3.229 4.154 -3.669 1.00 0.00 N ATOM 0 H HIS A 60 -2.321 3.735 0.688 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.550 5.384 -0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.415 5.547 0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.639 6.977 -0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.460 3.292 -1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.762 5.706 -5.127 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.496 3.374 -4.269 1.00 0.00 H new ATOM 868 N ASP A 61 -1.520 6.729 2.173 1.00 0.00 N ATOM 869 CA ASP A 61 -1.136 7.684 3.198 1.00 0.00 C ATOM 870 C ASP A 61 0.280 7.368 3.681 1.00 0.00 C ATOM 871 O ASP A 61 1.135 8.251 3.730 1.00 0.00 O ATOM 872 CB ASP A 61 -2.075 7.605 4.404 1.00 0.00 C ATOM 873 CG ASP A 61 -2.195 8.896 5.216 1.00 0.00 C ATOM 874 OD1 ASP A 61 -1.162 9.301 5.793 1.00 0.00 O ATOM 875 OD2 ASP A 61 -3.316 9.448 5.243 1.00 0.00 O ATOM 0 H ASP A 61 -2.421 6.276 2.328 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.188 8.682 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.067 7.320 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.728 6.810 5.064 1.00 0.00 H new ATOM 879 N PHE A 62 0.485 6.105 4.025 1.00 0.00 N ATOM 880 CA PHE A 62 1.784 5.660 4.502 1.00 0.00 C ATOM 881 C PHE A 62 2.886 6.015 3.502 1.00 0.00 C ATOM 882 O PHE A 62 3.980 6.418 3.894 1.00 0.00 O ATOM 883 CB PHE A 62 1.711 4.140 4.646 1.00 0.00 C ATOM 884 CG PHE A 62 3.075 3.446 4.625 1.00 0.00 C ATOM 885 CD1 PHE A 62 3.779 3.295 5.779 1.00 0.00 C ATOM 886 CD2 PHE A 62 3.583 2.981 3.452 1.00 0.00 C ATOM 887 CE1 PHE A 62 5.044 2.652 5.760 1.00 0.00 C ATOM 888 CE2 PHE A 62 4.849 2.337 3.433 1.00 0.00 C ATOM 889 CZ PHE A 62 5.553 2.186 4.587 1.00 0.00 C ATOM 0 H PHE A 62 -0.227 5.375 3.983 1.00 0.00 H new ATOM 0 HA PHE A 62 2.020 6.146 5.448 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.206 3.898 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.098 3.738 3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.375 3.665 6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.024 3.101 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.603 2.532 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.253 1.967 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.516 1.696 4.572 1.00 0.00 H new ATOM 898 N ASN A 63 2.560 5.850 2.229 1.00 0.00 N ATOM 899 CA ASN A 63 3.508 6.147 1.168 1.00 0.00 C ATOM 900 C ASN A 63 3.852 7.637 1.200 1.00 0.00 C ATOM 901 O ASN A 63 5.024 8.009 1.153 1.00 0.00 O ATOM 902 CB ASN A 63 2.916 5.828 -0.207 1.00 0.00 C ATOM 903 CG ASN A 63 3.681 4.687 -0.881 1.00 0.00 C ATOM 904 OD1 ASN A 63 4.695 4.883 -1.531 1.00 0.00 O ATOM 905 ND2 ASN A 63 3.140 3.487 -0.691 1.00 0.00 N ATOM 0 H ASN A 63 1.652 5.514 1.908 1.00 0.00 H new ATOM 0 HA ASN A 63 4.396 5.535 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.866 5.554 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.951 6.717 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.576 2.661 -1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.290 3.393 -0.136 1.00 0.00 H new ATOM 911 N ARG A 64 2.809 8.452 1.281 1.00 0.00 N ATOM 912 CA ARG A 64 2.987 9.893 1.320 1.00 0.00 C ATOM 913 C ARG A 64 3.883 10.286 2.496 1.00 0.00 C ATOM 914 O ARG A 64 4.921 10.919 2.307 1.00 0.00 O ATOM 915 CB ARG A 64 1.642 10.610 1.452 1.00 0.00 C ATOM 916 CG ARG A 64 0.714 10.253 0.288 1.00 0.00 C ATOM 917 CD ARG A 64 0.957 11.175 -0.908 1.00 0.00 C ATOM 918 NE ARG A 64 0.883 10.401 -2.168 1.00 0.00 N ATOM 919 CZ ARG A 64 -0.262 10.068 -2.779 1.00 0.00 C ATOM 920 NH1 ARG A 64 -1.436 10.439 -2.250 1.00 0.00 N ATOM 921 NH2 ARG A 64 -0.233 9.363 -3.918 1.00 0.00 N ATOM 0 H ARG A 64 1.838 8.141 1.321 1.00 0.00 H new ATOM 0 HA ARG A 64 3.457 10.194 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.170 10.335 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.801 11.688 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.878 9.217 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.325 10.333 0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.215 11.974 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.935 11.649 -0.820 1.00 0.00 H new ATOM 0 HE ARG A 64 1.759 10.103 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.458 10.975 -1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.308 10.186 -2.715 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.661 9.080 -4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.105 9.109 -4.383 1.00 0.00 H new ATOM 932 N ARG A 65 3.451 9.894 3.686 1.00 0.00 N ATOM 933 CA ARG A 65 4.201 10.198 4.893 1.00 0.00 C ATOM 934 C ARG A 65 5.660 9.764 4.734 1.00 0.00 C ATOM 935 O ARG A 65 6.574 10.510 5.080 1.00 0.00 O ATOM 936 CB ARG A 65 3.596 9.493 6.109 1.00 0.00 C ATOM 937 CG ARG A 65 2.725 10.453 6.921 1.00 0.00 C ATOM 938 CD ARG A 65 3.582 11.501 7.635 1.00 0.00 C ATOM 939 NE ARG A 65 4.100 10.950 8.908 1.00 0.00 N ATOM 940 CZ ARG A 65 4.511 11.702 9.938 1.00 0.00 C ATOM 941 NH1 ARG A 65 4.469 13.038 9.853 1.00 0.00 N ATOM 942 NH2 ARG A 65 4.966 11.116 11.055 1.00 0.00 N ATOM 0 H ARG A 65 2.591 9.368 3.840 1.00 0.00 H new ATOM 0 HA ARG A 65 4.154 11.275 5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.998 8.643 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.393 9.098 6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.012 10.949 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.145 9.892 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.412 11.802 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.990 12.395 7.830 1.00 0.00 H new ATOM 0 HE ARG A 65 4.147 9.936 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.124 13.484 9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.782 13.609 10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.999 10.099 11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.279 11.688 11.840 1.00 0.00 H new ATOM 953 N HIS A 66 5.832 8.560 4.210 1.00 0.00 N ATOM 954 CA HIS A 66 7.164 8.018 4.001 1.00 0.00 C ATOM 955 C HIS A 66 7.893 8.844 2.940 1.00 0.00 C ATOM 956 O HIS A 66 8.881 9.514 3.239 1.00 0.00 O ATOM 957 CB HIS A 66 7.097 6.530 3.650 1.00 0.00 C ATOM 958 CG HIS A 66 8.331 6.006 2.956 1.00 0.00 C ATOM 959 ND1 HIS A 66 8.298 5.436 1.695 1.00 0.00 N ATOM 960 CD2 HIS A 66 9.634 5.974 3.359 1.00 0.00 C ATOM 961 CE1 HIS A 66 9.530 5.078 1.365 1.00 0.00 C ATOM 962 NE2 HIS A 66 10.356 5.412 2.397 1.00 0.00 N ATOM 0 H HIS A 66 5.071 7.944 3.924 1.00 0.00 H new ATOM 0 HA HIS A 66 7.738 8.088 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 66 6.937 5.959 4.564 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.232 6.357 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 66 10.014 6.343 4.300 1.00 0.00 H new ATOM 0 HE1 HIS A 66 9.828 4.605 0.441 1.00 0.00 H new ATOM 0 HE2 HIS A 66 11.364 5.256 2.425 1.00 0.00 H new ATOM 969 N THR A 67 7.379 8.770 1.721 1.00 0.00 N ATOM 970 CA THR A 67 7.969 9.503 0.613 1.00 0.00 C ATOM 971 C THR A 67 6.880 9.995 -0.341 1.00 0.00 C ATOM 972 O THR A 67 5.977 9.242 -0.699 1.00 0.00 O ATOM 973 CB THR A 67 9.001 8.595 -0.059 1.00 0.00 C ATOM 974 OG1 THR A 67 9.951 8.329 0.969 1.00 0.00 O ATOM 975 CG2 THR A 67 9.809 9.323 -1.135 1.00 0.00 C ATOM 0 H THR A 67 6.560 8.213 1.476 1.00 0.00 H new ATOM 0 HA THR A 67 8.482 10.400 0.961 1.00 0.00 H new ATOM 0 HB THR A 67 8.495 7.738 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.656 7.745 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.527 8.634 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.135 9.694 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.342 10.161 -0.685 1.00 0.00 H new ATOM 983 N GLU A 68 7.001 11.258 -0.725 1.00 0.00 N ATOM 984 CA GLU A 68 6.038 11.860 -1.631 1.00 0.00 C ATOM 985 C GLU A 68 6.553 11.800 -3.071 1.00 0.00 C ATOM 986 O GLU A 68 5.883 11.264 -3.951 1.00 0.00 O ATOM 987 CB GLU A 68 5.724 13.300 -1.221 1.00 0.00 C ATOM 988 CG GLU A 68 5.569 13.416 0.297 1.00 0.00 C ATOM 989 CD GLU A 68 5.535 14.882 0.734 1.00 0.00 C ATOM 990 OE1 GLU A 68 4.433 15.468 0.670 1.00 0.00 O ATOM 991 OE2 GLU A 68 6.612 15.383 1.124 1.00 0.00 O ATOM 0 H GLU A 68 7.751 11.880 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 68 5.110 11.290 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.522 13.961 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.807 13.630 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.652 12.918 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.395 12.905 0.791 1.00 0.00 H new ATOM 996 N LYS A 69 7.739 12.358 -3.264 1.00 0.00 N ATOM 997 CA LYS A 69 8.352 12.375 -4.581 1.00 0.00 C ATOM 998 C LYS A 69 9.200 11.114 -4.762 1.00 0.00 C ATOM 999 O LYS A 69 9.798 10.623 -3.806 1.00 0.00 O ATOM 1000 CB LYS A 69 9.131 13.675 -4.794 1.00 0.00 C ATOM 1001 CG LYS A 69 9.225 14.022 -6.281 1.00 0.00 C ATOM 1002 CD LYS A 69 8.091 14.961 -6.697 1.00 0.00 C ATOM 1003 CE LYS A 69 6.734 14.260 -6.599 1.00 0.00 C ATOM 1004 NZ LYS A 69 5.713 14.997 -7.373 1.00 0.00 N ATOM 0 H LYS A 69 8.292 12.802 -2.530 1.00 0.00 H new ATOM 0 HA LYS A 69 7.586 12.359 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.642 14.488 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.133 13.575 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.186 14.492 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.182 13.109 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.094 15.845 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.254 15.304 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.817 13.240 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.428 14.192 -5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.799 14.508 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.622 15.962 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.999 15.040 -8.372 1.00 0.00 H new ATOM 1014 N GLN A 70 9.222 10.626 -5.993 1.00 0.00 N ATOM 1015 CA GLN A 70 9.986 9.431 -6.310 1.00 0.00 C ATOM 1016 C GLN A 70 9.857 9.098 -7.798 1.00 0.00 C ATOM 1017 O GLN A 70 9.194 8.128 -8.165 1.00 0.00 O ATOM 1018 CB GLN A 70 9.543 8.251 -5.443 1.00 0.00 C ATOM 1019 CG GLN A 70 10.672 7.798 -4.515 1.00 0.00 C ATOM 1020 CD GLN A 70 11.636 6.856 -5.243 1.00 0.00 C ATOM 1021 OE1 GLN A 70 11.252 5.833 -5.785 1.00 0.00 O ATOM 1022 NE2 GLN A 70 12.902 7.259 -5.222 1.00 0.00 N ATOM 0 H GLN A 70 8.723 11.036 -6.783 1.00 0.00 H new ATOM 0 HA GLN A 70 11.036 9.626 -6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.673 8.536 -4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.237 7.422 -6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.216 8.668 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.252 7.293 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.153 8.127 -4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.623 6.700 -5.679 1.00 0.00 H new ATOM 1029 N LYS A 71 10.501 9.919 -8.614 1.00 0.00 N ATOM 1030 CA LYS A 71 10.466 9.724 -10.053 1.00 0.00 C ATOM 1031 C LYS A 71 11.428 10.709 -10.721 1.00 0.00 C ATOM 1032 O LYS A 71 11.479 11.880 -10.349 1.00 0.00 O ATOM 1033 CB LYS A 71 9.030 9.820 -10.572 1.00 0.00 C ATOM 1034 CG LYS A 71 8.824 8.912 -11.786 1.00 0.00 C ATOM 1035 CD LYS A 71 8.166 9.676 -12.937 1.00 0.00 C ATOM 1036 CE LYS A 71 9.146 9.874 -14.095 1.00 0.00 C ATOM 1037 NZ LYS A 71 8.694 10.976 -14.974 1.00 0.00 N ATOM 0 H LYS A 71 11.050 10.721 -8.306 1.00 0.00 H new ATOM 0 HA LYS A 71 10.807 8.721 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.334 9.539 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.806 10.852 -10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.784 8.512 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.202 8.061 -11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.290 9.130 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.817 10.645 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.139 10.096 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.229 8.952 -14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.370 11.097 -15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.756 10.749 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.638 11.857 -14.425 1.00 0.00 H new ATOM 1047 N GLU A 72 12.167 10.198 -11.694 1.00 0.00 N ATOM 1048 CA GLU A 72 13.125 11.018 -12.416 1.00 0.00 C ATOM 1049 C GLU A 72 13.301 10.495 -13.843 1.00 0.00 C ATOM 1050 O GLU A 72 13.953 9.474 -14.059 1.00 0.00 O ATOM 1051 CB GLU A 72 14.466 11.070 -11.683 1.00 0.00 C ATOM 1052 CG GLU A 72 15.086 12.466 -11.771 1.00 0.00 C ATOM 1053 CD GLU A 72 14.739 13.300 -10.537 1.00 0.00 C ATOM 1054 OE1 GLU A 72 15.424 13.106 -9.510 1.00 0.00 O ATOM 1055 OE2 GLU A 72 13.796 14.114 -10.647 1.00 0.00 O ATOM 0 H GLU A 72 12.122 9.226 -12.000 1.00 0.00 H new ATOM 0 HA GLU A 72 12.737 12.035 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.324 10.797 -10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.148 10.337 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.169 12.381 -11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.727 12.971 -12.668 1.00 0.00 H new ATOM 1060 N SER A 73 12.708 11.218 -14.782 1.00 0.00 N ATOM 1061 CA SER A 73 12.791 10.839 -16.183 1.00 0.00 C ATOM 1062 C SER A 73 12.226 11.958 -17.061 1.00 0.00 C ATOM 1063 O SER A 73 11.316 12.675 -16.649 1.00 0.00 O ATOM 1064 CB SER A 73 12.045 9.530 -16.445 1.00 0.00 C ATOM 1065 OG SER A 73 12.659 8.425 -15.788 1.00 0.00 O ATOM 0 H SER A 73 12.168 12.064 -14.600 1.00 0.00 H new ATOM 0 HA SER A 73 13.840 10.683 -16.434 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.014 9.626 -16.105 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.011 9.341 -17.518 1.00 0.00 H new ATOM 0 HG SER A 73 13.509 8.711 -15.392 1.00 0.00 H new ATOM 1070 N GLY A 74 12.790 12.070 -18.255 1.00 0.00 N ATOM 1071 CA GLY A 74 12.353 13.089 -19.195 1.00 0.00 C ATOM 1072 C GLY A 74 12.983 12.870 -20.572 1.00 0.00 C ATOM 1073 O GLY A 74 14.132 12.443 -20.672 1.00 0.00 O ATOM 0 H GLY A 74 13.545 11.473 -18.593 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.267 13.068 -19.281 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.624 14.076 -18.820 1.00 0.00 H new ATOM 1077 N PRO A 75 12.182 13.180 -21.626 1.00 0.00 N ATOM 1078 CA PRO A 75 12.649 13.023 -22.993 1.00 0.00 C ATOM 1079 C PRO A 75 13.633 14.133 -23.368 1.00 0.00 C ATOM 1080 O PRO A 75 13.402 14.874 -24.323 1.00 0.00 O ATOM 1081 CB PRO A 75 11.390 13.032 -23.843 1.00 0.00 C ATOM 1082 CG PRO A 75 10.308 13.658 -22.978 1.00 0.00 C ATOM 1083 CD PRO A 75 10.816 13.688 -21.546 1.00 0.00 C ATOM 0 HA PRO A 75 13.207 12.099 -23.143 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.540 13.606 -24.757 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.114 12.021 -24.143 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.079 14.666 -23.323 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.385 13.081 -23.044 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.793 14.699 -21.139 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.200 13.068 -20.895 1.00 0.00 H new ATOM 1088 N SER A 76 14.707 14.214 -22.598 1.00 0.00 N ATOM 1089 CA SER A 76 15.726 15.221 -22.837 1.00 0.00 C ATOM 1090 C SER A 76 16.829 15.112 -21.782 1.00 0.00 C ATOM 1091 O SER A 76 16.544 14.956 -20.596 1.00 0.00 O ATOM 1092 CB SER A 76 15.123 16.627 -22.831 1.00 0.00 C ATOM 1093 OG SER A 76 15.585 17.412 -23.928 1.00 0.00 O ATOM 0 H SER A 76 14.894 13.598 -21.807 1.00 0.00 H new ATOM 0 HA SER A 76 16.157 15.044 -23.822 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.036 16.555 -22.869 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.377 17.126 -21.896 1.00 0.00 H new ATOM 0 HG SER A 76 15.176 18.302 -23.889 1.00 0.00 H new ATOM 1098 N SER A 77 18.065 15.198 -22.253 1.00 0.00 N ATOM 1099 CA SER A 77 19.210 15.111 -21.364 1.00 0.00 C ATOM 1100 C SER A 77 20.281 16.119 -21.789 1.00 0.00 C ATOM 1101 O SER A 77 20.762 16.078 -22.921 1.00 0.00 O ATOM 1102 CB SER A 77 19.791 13.695 -21.351 1.00 0.00 C ATOM 1103 OG SER A 77 20.271 13.302 -22.634 1.00 0.00 O ATOM 0 H SER A 77 18.298 15.327 -23.238 1.00 0.00 H new ATOM 0 HA SER A 77 18.877 15.348 -20.354 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.605 13.644 -20.628 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.026 12.993 -21.019 1.00 0.00 H new ATOM 0 HG SER A 77 20.474 14.100 -23.166 1.00 0.00 H new ATOM 1108 N GLY A 78 20.620 17.000 -20.861 1.00 0.00 N ATOM 1109 CA GLY A 78 21.623 18.017 -21.125 1.00 0.00 C ATOM 1110 C GLY A 78 20.997 19.248 -21.783 1.00 0.00 C ATOM 1111 O GLY A 78 20.347 19.139 -22.821 1.00 0.00 O ATOM 0 H GLY A 78 20.218 17.031 -19.924 1.00 0.00 H new ATOM 0 HA2 GLY A 78 22.107 18.306 -20.192 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.398 17.608 -21.773 1.00 0.00 H new TER 1115 GLY A 78