USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 59 GLN : amide:sc= -0.52 K(o=0.7,f=-3.5!) USER MOD Set 1.2: A 63 SER OG : rot 92:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.00282 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 140:sc= 0 USER MOD Single : A 29 THR OG1 : rot 162:sc= 0.479 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -15:sc= 1.14 USER MOD Single : A 34 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 41 THR OG1 : rot 85:sc= 0.214 USER MOD Single : A 43 ASN : amide:sc= 0.197 K(o=0.2,f=-0.92) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -2.25! K(o=-2.2!,f=0) USER MOD Single : A 53 SER OG : rot -138:sc= 0.105 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 61 SER OG : rot 180:sc= -0.101 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc=-0.00195 (180deg=-0.159) USER MOD Single : A 86 MET CE :methyl 180:sc= -0.0915 (180deg=-0.0915) USER MOD Single : A 87 GLN : amide:sc= -0.428 K(o=-0.43,f=-0.97) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 94 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.9!) USER MOD Single : A 95 ASN : amide:sc= 0.0919 K(o=0.092,f=-6.7!) USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= 0.969 (180deg=0.801) USER MOD Single : A 102 MET CE :methyl 150:sc= 0 (180deg=-0.63) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 149:sc= 1.27 (180deg=0.849) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 110 SER OG : rot -122:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.040 8.789 -30.825 1.00 0.00 N ATOM 2 CA GLY A 1 6.122 9.426 -29.880 1.00 0.00 C ATOM 3 C GLY A 1 4.721 9.433 -30.448 1.00 0.00 C ATOM 4 O GLY A 1 4.513 9.832 -31.595 1.00 0.00 O ATOM 0 H1 GLY A 1 7.992 9.191 -30.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.071 7.766 -30.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.710 8.957 -31.797 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.136 8.892 -28.930 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.446 10.447 -29.676 1.00 0.00 H new ATOM 8 N SER A 2 3.761 8.976 -29.652 1.00 0.00 N ATOM 9 CA SER A 2 2.337 9.135 -29.868 1.00 0.00 C ATOM 10 C SER A 2 1.677 9.062 -28.489 1.00 0.00 C ATOM 11 O SER A 2 2.265 8.509 -27.551 1.00 0.00 O ATOM 12 CB SER A 2 1.830 8.027 -30.802 1.00 0.00 C ATOM 13 OG SER A 2 0.580 8.395 -31.338 1.00 0.00 O ATOM 0 H SER A 2 3.971 8.460 -28.798 1.00 0.00 H new ATOM 0 HA SER A 2 2.098 10.085 -30.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.547 7.859 -31.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.740 7.089 -30.254 1.00 0.00 H new ATOM 0 HG SER A 2 0.259 7.687 -31.935 1.00 0.00 H new ATOM 19 N SER A 3 0.477 9.614 -28.340 1.00 0.00 N ATOM 20 CA SER A 3 -0.282 9.520 -27.104 1.00 0.00 C ATOM 21 C SER A 3 -1.765 9.745 -27.404 1.00 0.00 C ATOM 22 O SER A 3 -2.163 9.949 -28.556 1.00 0.00 O ATOM 23 CB SER A 3 0.285 10.522 -26.085 1.00 0.00 C ATOM 24 OG SER A 3 -0.062 10.185 -24.750 1.00 0.00 O ATOM 0 H SER A 3 0.005 10.139 -29.076 1.00 0.00 H new ATOM 0 HA SER A 3 -0.192 8.527 -26.663 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.370 10.557 -26.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.087 11.520 -26.314 1.00 0.00 H new ATOM 0 HG SER A 3 0.320 10.846 -24.136 1.00 0.00 H new ATOM 30 N GLY A 4 -2.579 9.684 -26.361 1.00 0.00 N ATOM 31 CA GLY A 4 -4.023 9.583 -26.405 1.00 0.00 C ATOM 32 C GLY A 4 -4.431 8.588 -25.331 1.00 0.00 C ATOM 33 O GLY A 4 -3.684 7.643 -25.048 1.00 0.00 O ATOM 0 H GLY A 4 -2.224 9.705 -25.405 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.483 10.555 -26.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.357 9.249 -27.387 1.00 0.00 H new ATOM 37 N SER A 5 -5.589 8.797 -24.712 1.00 0.00 N ATOM 38 CA SER A 5 -5.987 8.080 -23.517 1.00 0.00 C ATOM 39 C SER A 5 -7.491 7.824 -23.545 1.00 0.00 C ATOM 40 O SER A 5 -8.246 8.389 -22.748 1.00 0.00 O ATOM 41 CB SER A 5 -5.497 8.860 -22.292 1.00 0.00 C ATOM 42 OG SER A 5 -5.462 8.024 -21.162 1.00 0.00 O ATOM 0 H SER A 5 -6.280 9.476 -25.033 1.00 0.00 H new ATOM 0 HA SER A 5 -5.525 7.094 -23.466 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.503 9.265 -22.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.156 9.708 -22.105 1.00 0.00 H new ATOM 0 HG SER A 5 -5.146 8.534 -20.387 1.00 0.00 H new ATOM 48 N SER A 6 -7.930 6.931 -24.428 1.00 0.00 N ATOM 49 CA SER A 6 -9.163 6.186 -24.217 1.00 0.00 C ATOM 50 C SER A 6 -8.808 4.835 -23.594 1.00 0.00 C ATOM 51 O SER A 6 -7.667 4.367 -23.685 1.00 0.00 O ATOM 52 CB SER A 6 -9.866 5.967 -25.558 1.00 0.00 C ATOM 53 OG SER A 6 -10.470 7.161 -26.027 1.00 0.00 O ATOM 0 H SER A 6 -7.447 6.707 -25.298 1.00 0.00 H new ATOM 0 HA SER A 6 -9.830 6.740 -23.556 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.146 5.609 -26.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.625 5.192 -25.450 1.00 0.00 H new ATOM 0 HG SER A 6 -10.910 6.990 -26.886 1.00 0.00 H new ATOM 59 N GLY A 7 -9.799 4.178 -23.010 1.00 0.00 N ATOM 60 CA GLY A 7 -9.870 2.733 -22.952 1.00 0.00 C ATOM 61 C GLY A 7 -11.312 2.359 -23.243 1.00 0.00 C ATOM 62 O GLY A 7 -12.241 3.135 -22.984 1.00 0.00 O ATOM 0 H GLY A 7 -10.586 4.644 -22.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.198 2.282 -23.682 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.565 2.369 -21.971 1.00 0.00 H new ATOM 66 N TYR A 8 -11.513 1.163 -23.769 1.00 0.00 N ATOM 67 CA TYR A 8 -12.816 0.614 -24.082 1.00 0.00 C ATOM 68 C TYR A 8 -12.791 -0.849 -23.668 1.00 0.00 C ATOM 69 O TYR A 8 -11.718 -1.412 -23.431 1.00 0.00 O ATOM 70 CB TYR A 8 -13.135 0.790 -25.576 1.00 0.00 C ATOM 71 CG TYR A 8 -12.216 -0.013 -26.474 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.909 0.445 -26.719 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.628 -1.263 -26.975 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.994 -0.361 -27.409 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.727 -2.067 -27.695 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.400 -1.623 -27.902 1.00 0.00 C ATOM 77 OH TYR A 8 -9.516 -2.413 -28.570 1.00 0.00 O ATOM 0 H TYR A 8 -10.747 0.529 -23.996 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.606 1.137 -23.543 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.167 0.491 -25.760 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.058 1.846 -25.837 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.609 1.423 -26.373 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.638 -1.605 -26.806 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.981 -0.020 -27.564 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.047 -3.020 -28.089 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.959 -3.245 -28.838 1.00 0.00 H new ATOM 87 N SER A 9 -13.970 -1.464 -23.596 1.00 0.00 N ATOM 88 CA SER A 9 -14.142 -2.822 -23.114 1.00 0.00 C ATOM 89 C SER A 9 -13.452 -3.026 -21.754 1.00 0.00 C ATOM 90 O SER A 9 -13.234 -2.070 -20.997 1.00 0.00 O ATOM 91 CB SER A 9 -13.728 -3.776 -24.245 1.00 0.00 C ATOM 92 OG SER A 9 -14.730 -3.756 -25.260 1.00 0.00 O ATOM 0 H SER A 9 -14.844 -1.020 -23.877 1.00 0.00 H new ATOM 0 HA SER A 9 -15.183 -3.049 -22.885 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.766 -3.474 -24.659 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.604 -4.787 -23.858 1.00 0.00 H new ATOM 0 HG SER A 9 -14.472 -4.361 -25.986 1.00 0.00 H new ATOM 98 N GLY A 10 -13.224 -4.281 -21.385 1.00 0.00 N ATOM 99 CA GLY A 10 -12.679 -4.698 -20.112 1.00 0.00 C ATOM 100 C GLY A 10 -13.117 -6.133 -19.856 1.00 0.00 C ATOM 101 O GLY A 10 -13.974 -6.669 -20.571 1.00 0.00 O ATOM 0 H GLY A 10 -13.426 -5.069 -22.000 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.591 -4.628 -20.123 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.032 -4.044 -19.314 1.00 0.00 H new ATOM 105 N SER A 11 -12.553 -6.750 -18.825 1.00 0.00 N ATOM 106 CA SER A 11 -12.828 -8.115 -18.411 1.00 0.00 C ATOM 107 C SER A 11 -12.993 -8.158 -16.890 1.00 0.00 C ATOM 108 O SER A 11 -12.457 -7.308 -16.168 1.00 0.00 O ATOM 109 CB SER A 11 -11.697 -9.024 -18.914 1.00 0.00 C ATOM 110 OG SER A 11 -11.629 -8.969 -20.332 1.00 0.00 O ATOM 0 H SER A 11 -11.862 -6.291 -18.231 1.00 0.00 H new ATOM 0 HA SER A 11 -13.759 -8.479 -18.845 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.747 -8.710 -18.483 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.871 -10.050 -18.589 1.00 0.00 H new ATOM 0 HG SER A 11 -10.905 -9.549 -20.648 1.00 0.00 H new ATOM 116 N GLN A 12 -13.779 -9.117 -16.410 1.00 0.00 N ATOM 117 CA GLN A 12 -14.140 -9.300 -15.013 1.00 0.00 C ATOM 118 C GLN A 12 -13.199 -10.345 -14.429 1.00 0.00 C ATOM 119 O GLN A 12 -13.092 -11.444 -14.973 1.00 0.00 O ATOM 120 CB GLN A 12 -15.616 -9.708 -14.914 1.00 0.00 C ATOM 121 CG GLN A 12 -16.517 -8.510 -15.253 1.00 0.00 C ATOM 122 CD GLN A 12 -17.988 -8.882 -15.396 1.00 0.00 C ATOM 123 OE1 GLN A 12 -18.586 -8.645 -16.440 1.00 0.00 O ATOM 124 NE2 GLN A 12 -18.611 -9.405 -14.357 1.00 0.00 N ATOM 0 H GLN A 12 -14.201 -9.820 -17.016 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.033 -8.378 -14.441 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.821 -10.532 -15.597 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.836 -10.066 -13.908 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.415 -7.755 -14.473 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.172 -8.057 -16.182 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.097 -9.595 -13.497 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.607 -9.619 -14.414 1.00 0.00 H new ATOM 133 N ALA A 13 -12.473 -9.974 -13.375 1.00 0.00 N ATOM 134 CA ALA A 13 -11.471 -10.835 -12.760 1.00 0.00 C ATOM 135 C ALA A 13 -12.151 -11.999 -12.011 1.00 0.00 C ATOM 136 O ALA A 13 -13.326 -11.887 -11.656 1.00 0.00 O ATOM 137 CB ALA A 13 -10.619 -9.972 -11.822 1.00 0.00 C ATOM 0 H ALA A 13 -12.566 -9.064 -12.924 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.828 -11.283 -13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.859 -10.592 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.136 -9.181 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.256 -9.529 -11.057 1.00 0.00 H new ATOM 143 N PRO A 14 -11.440 -13.104 -11.715 1.00 0.00 N ATOM 144 CA PRO A 14 -12.017 -14.264 -11.034 1.00 0.00 C ATOM 145 C PRO A 14 -12.122 -14.084 -9.507 1.00 0.00 C ATOM 146 O PRO A 14 -12.483 -15.030 -8.806 1.00 0.00 O ATOM 147 CB PRO A 14 -11.085 -15.423 -11.408 1.00 0.00 C ATOM 148 CG PRO A 14 -9.717 -14.751 -11.516 1.00 0.00 C ATOM 149 CD PRO A 14 -10.047 -13.362 -12.065 1.00 0.00 C ATOM 0 HA PRO A 14 -13.048 -14.434 -11.345 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.090 -16.205 -10.649 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.380 -15.889 -12.348 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.220 -14.693 -10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.052 -15.299 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.391 -12.607 -11.632 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.904 -13.327 -13.145 1.00 0.00 H new ATOM 157 N GLY A 15 -11.755 -12.922 -8.961 1.00 0.00 N ATOM 158 CA GLY A 15 -11.608 -12.738 -7.525 1.00 0.00 C ATOM 159 C GLY A 15 -10.430 -13.546 -6.969 1.00 0.00 C ATOM 160 O GLY A 15 -9.806 -14.347 -7.675 1.00 0.00 O ATOM 0 H GLY A 15 -11.552 -12.085 -9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.460 -11.680 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -12.527 -13.041 -7.023 1.00 0.00 H new ATOM 164 N GLY A 16 -10.089 -13.300 -5.707 1.00 0.00 N ATOM 165 CA GLY A 16 -8.919 -13.870 -5.048 1.00 0.00 C ATOM 166 C GLY A 16 -7.585 -13.321 -5.563 1.00 0.00 C ATOM 167 O GLY A 16 -7.530 -12.566 -6.540 1.00 0.00 O ATOM 0 H GLY A 16 -10.631 -12.685 -5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.989 -13.680 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.931 -14.952 -5.181 1.00 0.00 H new ATOM 171 N ILE A 17 -6.504 -13.679 -4.868 1.00 0.00 N ATOM 172 CA ILE A 17 -5.138 -13.225 -5.148 1.00 0.00 C ATOM 173 C ILE A 17 -4.297 -14.402 -5.658 1.00 0.00 C ATOM 174 O ILE A 17 -3.466 -14.212 -6.543 1.00 0.00 O ATOM 175 CB ILE A 17 -4.547 -12.507 -3.901 1.00 0.00 C ATOM 176 CG1 ILE A 17 -3.091 -11.999 -4.059 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.599 -13.403 -2.642 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.850 -10.876 -5.074 1.00 0.00 C ATOM 0 H ILE A 17 -6.555 -14.312 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.134 -12.482 -5.945 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.190 -11.634 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.745 -11.654 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.465 -12.847 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.177 -12.864 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.634 -13.666 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.023 -14.311 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.791 -10.616 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.151 -11.212 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.436 -10.000 -4.794 1.00 0.00 H new ATOM 190 N GLN A 18 -4.517 -15.628 -5.161 1.00 0.00 N ATOM 191 CA GLN A 18 -3.654 -16.757 -5.506 1.00 0.00 C ATOM 192 C GLN A 18 -3.670 -17.062 -7.005 1.00 0.00 C ATOM 193 O GLN A 18 -2.623 -17.392 -7.550 1.00 0.00 O ATOM 194 CB GLN A 18 -4.010 -18.019 -4.702 1.00 0.00 C ATOM 195 CG GLN A 18 -3.281 -18.048 -3.352 1.00 0.00 C ATOM 196 CD GLN A 18 -3.216 -19.460 -2.773 1.00 0.00 C ATOM 197 OE1 GLN A 18 -2.509 -20.326 -3.292 1.00 0.00 O ATOM 198 NE2 GLN A 18 -3.995 -19.781 -1.757 1.00 0.00 N ATOM 0 H GLN A 18 -5.280 -15.858 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.642 -16.456 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.087 -18.055 -4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.746 -18.906 -5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.270 -17.659 -3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.792 -17.390 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.583 -19.071 -1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.009 -20.739 -1.408 1.00 0.00 H new ATOM 207 N GLU A 19 -4.813 -16.943 -7.681 1.00 0.00 N ATOM 208 CA GLU A 19 -4.892 -17.141 -9.123 1.00 0.00 C ATOM 209 C GLU A 19 -4.068 -16.089 -9.855 1.00 0.00 C ATOM 210 O GLU A 19 -3.251 -16.425 -10.703 1.00 0.00 O ATOM 211 CB GLU A 19 -6.352 -17.110 -9.578 1.00 0.00 C ATOM 212 CG GLU A 19 -6.503 -17.643 -11.013 1.00 0.00 C ATOM 213 CD GLU A 19 -7.807 -18.424 -11.173 1.00 0.00 C ATOM 214 OE1 GLU A 19 -7.951 -19.487 -10.520 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.720 -17.972 -11.900 1.00 0.00 O ATOM 0 H GLU A 19 -5.704 -16.708 -7.244 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.477 -18.119 -9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.959 -17.709 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.730 -16.089 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.484 -16.811 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.657 -18.286 -11.257 1.00 0.00 H new ATOM 222 N ILE A 20 -4.229 -14.819 -9.492 1.00 0.00 N ATOM 223 CA ILE A 20 -3.495 -13.711 -10.099 1.00 0.00 C ATOM 224 C ILE A 20 -1.986 -13.934 -9.976 1.00 0.00 C ATOM 225 O ILE A 20 -1.241 -13.672 -10.926 1.00 0.00 O ATOM 226 CB ILE A 20 -3.935 -12.391 -9.429 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.451 -12.145 -9.564 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.132 -11.199 -9.959 1.00 0.00 C ATOM 229 CD1 ILE A 20 -5.989 -12.212 -10.999 1.00 0.00 C ATOM 0 H ILE A 20 -4.878 -14.527 -8.762 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.723 -13.655 -11.163 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.721 -12.493 -8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.980 -12.881 -8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.684 -11.164 -9.149 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.467 -10.286 -9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.073 -11.354 -9.754 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.284 -11.107 -11.035 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.063 -12.027 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.493 -11.457 -11.609 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.793 -13.200 -11.415 1.00 0.00 H new ATOM 241 N VAL A 21 -1.552 -14.412 -8.811 1.00 0.00 N ATOM 242 CA VAL A 21 -0.175 -14.758 -8.502 1.00 0.00 C ATOM 243 C VAL A 21 0.259 -15.985 -9.306 1.00 0.00 C ATOM 244 O VAL A 21 1.412 -16.062 -9.728 1.00 0.00 O ATOM 245 CB VAL A 21 -0.082 -15.009 -6.986 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.294 -15.505 -6.537 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.402 -13.744 -6.178 1.00 0.00 C ATOM 0 H VAL A 21 -2.182 -14.574 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 21 0.499 -13.947 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.821 -15.786 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.290 -15.662 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.524 -16.445 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.050 -14.762 -6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.325 -13.963 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.306 -12.957 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.414 -13.412 -6.408 1.00 0.00 H new ATOM 257 N ALA A 22 -0.642 -16.940 -9.529 1.00 0.00 N ATOM 258 CA ALA A 22 -0.365 -18.164 -10.279 1.00 0.00 C ATOM 259 C ALA A 22 -0.031 -17.804 -11.714 1.00 0.00 C ATOM 260 O ALA A 22 0.967 -18.249 -12.275 1.00 0.00 O ATOM 261 CB ALA A 22 -1.581 -19.102 -10.248 1.00 0.00 C ATOM 0 H ALA A 22 -1.602 -16.884 -9.188 1.00 0.00 H new ATOM 0 HA ALA A 22 0.479 -18.679 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.356 -20.008 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.812 -19.365 -9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.439 -18.600 -10.695 1.00 0.00 H new ATOM 267 N MET A 23 -0.881 -16.945 -12.261 1.00 0.00 N ATOM 268 CA MET A 23 -0.815 -16.408 -13.595 1.00 0.00 C ATOM 269 C MET A 23 0.353 -15.418 -13.756 1.00 0.00 C ATOM 270 O MET A 23 0.646 -15.040 -14.890 1.00 0.00 O ATOM 271 CB MET A 23 -2.157 -15.716 -13.870 1.00 0.00 C ATOM 272 CG MET A 23 -3.436 -16.544 -13.645 1.00 0.00 C ATOM 273 SD MET A 23 -4.431 -16.921 -15.107 1.00 0.00 S ATOM 274 CE MET A 23 -3.511 -18.307 -15.802 1.00 0.00 C ATOM 0 H MET A 23 -1.684 -16.588 -11.743 1.00 0.00 H new ATOM 0 HA MET A 23 -0.635 -17.210 -14.311 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.214 -14.828 -13.240 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.154 -15.373 -14.905 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.153 -17.486 -13.175 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.066 -16.010 -12.934 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.003 -18.651 -16.711 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.496 -17.988 -16.038 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.477 -19.121 -15.078 1.00 0.00 H new ATOM 284 N SER A 24 0.991 -14.967 -12.668 1.00 0.00 N ATOM 285 CA SER A 24 2.070 -13.983 -12.703 1.00 0.00 C ATOM 286 C SER A 24 3.345 -14.619 -13.288 1.00 0.00 C ATOM 287 O SER A 24 3.619 -15.788 -12.983 1.00 0.00 O ATOM 288 CB SER A 24 2.344 -13.478 -11.277 1.00 0.00 C ATOM 289 OG SER A 24 2.616 -12.094 -11.228 1.00 0.00 O ATOM 0 H SER A 24 0.765 -15.284 -11.725 1.00 0.00 H new ATOM 0 HA SER A 24 1.775 -13.145 -13.335 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.481 -13.696 -10.648 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.190 -14.025 -10.859 1.00 0.00 H new ATOM 0 HG SER A 24 2.178 -11.702 -10.444 1.00 0.00 H new ATOM 295 N PRO A 25 4.139 -13.867 -14.073 1.00 0.00 N ATOM 296 CA PRO A 25 5.466 -14.264 -14.525 1.00 0.00 C ATOM 297 C PRO A 25 6.482 -14.205 -13.369 1.00 0.00 C ATOM 298 O PRO A 25 6.141 -13.885 -12.233 1.00 0.00 O ATOM 299 CB PRO A 25 5.790 -13.302 -15.674 1.00 0.00 C ATOM 300 CG PRO A 25 5.100 -12.011 -15.249 1.00 0.00 C ATOM 301 CD PRO A 25 3.851 -12.509 -14.522 1.00 0.00 C ATOM 0 HA PRO A 25 5.510 -15.298 -14.868 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.865 -13.164 -15.793 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.408 -13.669 -16.627 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.734 -11.411 -14.596 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.846 -11.388 -16.107 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.613 -11.864 -13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.986 -12.496 -15.186 1.00 0.00 H new ATOM 309 N GLU A 26 7.734 -14.582 -13.639 1.00 0.00 N ATOM 310 CA GLU A 26 8.846 -14.520 -12.707 1.00 0.00 C ATOM 311 C GLU A 26 9.151 -13.064 -12.306 1.00 0.00 C ATOM 312 O GLU A 26 9.857 -12.345 -13.016 1.00 0.00 O ATOM 313 CB GLU A 26 10.056 -15.243 -13.331 1.00 0.00 C ATOM 314 CG GLU A 26 10.729 -16.166 -12.313 1.00 0.00 C ATOM 315 CD GLU A 26 11.946 -16.932 -12.849 1.00 0.00 C ATOM 316 OE1 GLU A 26 11.775 -18.056 -13.372 1.00 0.00 O ATOM 317 OE2 GLU A 26 13.104 -16.492 -12.650 1.00 0.00 O ATOM 0 H GLU A 26 8.004 -14.952 -14.550 1.00 0.00 H new ATOM 0 HA GLU A 26 8.590 -15.031 -11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.731 -15.824 -14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.776 -14.509 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.040 -15.572 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.993 -16.885 -11.953 1.00 0.00 H new ATOM 324 N LEU A 27 8.571 -12.615 -11.196 1.00 0.00 N ATOM 325 CA LEU A 27 8.697 -11.263 -10.657 1.00 0.00 C ATOM 326 C LEU A 27 9.975 -11.121 -9.853 1.00 0.00 C ATOM 327 O LEU A 27 10.268 -11.951 -8.990 1.00 0.00 O ATOM 328 CB LEU A 27 7.465 -10.951 -9.811 1.00 0.00 C ATOM 329 CG LEU A 27 6.535 -9.967 -10.525 1.00 0.00 C ATOM 330 CD1 LEU A 27 6.119 -10.441 -11.916 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.300 -9.788 -9.662 1.00 0.00 C ATOM 0 H LEU A 27 7.974 -13.210 -10.622 1.00 0.00 H new ATOM 0 HA LEU A 27 8.755 -10.545 -11.475 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.926 -11.874 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.775 -10.532 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 27 7.073 -9.029 -10.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.460 -9.701 -12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.006 -10.568 -12.537 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.594 -11.393 -11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.616 -9.090 -10.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.805 -10.750 -9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.591 -9.395 -8.688 1.00 0.00 H new ATOM 343 N ASP A 28 10.732 -10.053 -10.101 1.00 0.00 N ATOM 344 CA ASP A 28 11.988 -9.790 -9.405 1.00 0.00 C ATOM 345 C ASP A 28 11.694 -9.271 -8.005 1.00 0.00 C ATOM 346 O ASP A 28 11.567 -8.066 -7.779 1.00 0.00 O ATOM 347 CB ASP A 28 12.896 -8.827 -10.187 1.00 0.00 C ATOM 348 CG ASP A 28 14.113 -9.488 -10.827 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.517 -10.607 -10.449 1.00 0.00 O ATOM 350 OD2 ASP A 28 14.725 -8.812 -11.684 1.00 0.00 O ATOM 0 H ASP A 28 10.489 -9.344 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 28 12.539 -10.727 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.307 -8.345 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.237 -8.041 -9.513 1.00 0.00 H new ATOM 355 N THR A 29 11.590 -10.195 -7.053 1.00 0.00 N ATOM 356 CA THR A 29 11.299 -9.931 -5.654 1.00 0.00 C ATOM 357 C THR A 29 12.214 -8.821 -5.138 1.00 0.00 C ATOM 358 O THR A 29 11.722 -7.810 -4.645 1.00 0.00 O ATOM 359 CB THR A 29 11.417 -11.250 -4.867 1.00 0.00 C ATOM 360 OG1 THR A 29 12.573 -11.971 -5.251 1.00 0.00 O ATOM 361 CG2 THR A 29 10.227 -12.160 -5.161 1.00 0.00 C ATOM 0 H THR A 29 11.712 -11.189 -7.248 1.00 0.00 H new ATOM 0 HA THR A 29 10.280 -9.568 -5.521 1.00 0.00 H new ATOM 0 HB THR A 29 11.460 -10.980 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.789 -12.634 -4.563 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.329 -13.086 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.304 -11.658 -4.871 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.197 -12.387 -6.227 1.00 0.00 H new ATOM 369 N TYR A 30 13.530 -8.965 -5.320 1.00 0.00 N ATOM 370 CA TYR A 30 14.539 -7.986 -4.946 1.00 0.00 C ATOM 371 C TYR A 30 14.216 -6.584 -5.472 1.00 0.00 C ATOM 372 O TYR A 30 14.042 -5.658 -4.681 1.00 0.00 O ATOM 373 CB TYR A 30 15.906 -8.487 -5.424 1.00 0.00 C ATOM 374 CG TYR A 30 17.076 -7.920 -4.654 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.231 -8.279 -3.305 1.00 0.00 C ATOM 376 CD2 TYR A 30 18.045 -7.119 -5.287 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.381 -7.896 -2.598 1.00 0.00 C ATOM 378 CE2 TYR A 30 19.204 -6.739 -4.588 1.00 0.00 C ATOM 379 CZ TYR A 30 19.390 -7.151 -3.250 1.00 0.00 C ATOM 380 OH TYR A 30 20.528 -6.822 -2.585 1.00 0.00 O ATOM 0 H TYR A 30 13.930 -9.800 -5.748 1.00 0.00 H new ATOM 0 HA TYR A 30 14.554 -7.885 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 30 15.929 -9.574 -5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 30 16.024 -8.237 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.462 -8.852 -2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.898 -6.797 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.495 -8.169 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.953 -6.132 -5.075 1.00 0.00 H new ATOM 0 HH TYR A 30 21.117 -6.311 -3.178 1.00 0.00 H new ATOM 390 N SER A 31 14.098 -6.436 -6.791 1.00 0.00 N ATOM 391 CA SER A 31 13.817 -5.180 -7.479 1.00 0.00 C ATOM 392 C SER A 31 12.551 -4.542 -6.904 1.00 0.00 C ATOM 393 O SER A 31 12.588 -3.385 -6.499 1.00 0.00 O ATOM 394 CB SER A 31 13.698 -5.514 -8.972 1.00 0.00 C ATOM 395 OG SER A 31 13.904 -4.443 -9.860 1.00 0.00 O ATOM 0 H SER A 31 14.200 -7.221 -7.434 1.00 0.00 H new ATOM 0 HA SER A 31 14.609 -4.445 -7.339 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.417 -6.299 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.705 -5.926 -9.154 1.00 0.00 H new ATOM 0 HG SER A 31 13.808 -4.760 -10.782 1.00 0.00 H new ATOM 401 N ILE A 32 11.460 -5.299 -6.772 1.00 0.00 N ATOM 402 CA ILE A 32 10.205 -4.836 -6.184 1.00 0.00 C ATOM 403 C ILE A 32 10.479 -4.354 -4.744 1.00 0.00 C ATOM 404 O ILE A 32 10.076 -3.239 -4.425 1.00 0.00 O ATOM 405 CB ILE A 32 9.157 -5.982 -6.310 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.860 -6.343 -7.788 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.817 -5.648 -5.636 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.253 -7.746 -7.959 1.00 0.00 C ATOM 0 H ILE A 32 11.425 -6.271 -7.078 1.00 0.00 H new ATOM 0 HA ILE A 32 9.783 -3.977 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 32 9.617 -6.828 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.175 -5.605 -8.205 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.784 -6.281 -8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.130 -6.485 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.980 -5.464 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.390 -4.757 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.069 -7.936 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.946 -8.492 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.313 -7.805 -7.411 1.00 0.00 H new ATOM 420 N THR A 33 11.193 -5.092 -3.878 1.00 0.00 N ATOM 421 CA THR A 33 11.490 -4.620 -2.511 1.00 0.00 C ATOM 422 C THR A 33 12.219 -3.292 -2.481 1.00 0.00 C ATOM 423 O THR A 33 11.883 -2.426 -1.676 1.00 0.00 O ATOM 424 CB THR A 33 12.201 -5.668 -1.652 1.00 0.00 C ATOM 425 OG1 THR A 33 13.498 -6.002 -2.099 1.00 0.00 O ATOM 426 CG2 THR A 33 11.368 -6.940 -1.536 1.00 0.00 C ATOM 0 H THR A 33 11.574 -6.013 -4.096 1.00 0.00 H new ATOM 0 HA THR A 33 10.513 -4.452 -2.058 1.00 0.00 H new ATOM 0 HB THR A 33 12.313 -5.198 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.619 -5.685 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.898 -7.667 -0.920 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.408 -6.706 -1.076 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.202 -7.358 -2.529 1.00 0.00 H new ATOM 434 N LYS A 34 13.189 -3.137 -3.372 1.00 0.00 N ATOM 435 CA LYS A 34 13.945 -1.910 -3.551 1.00 0.00 C ATOM 436 C LYS A 34 12.956 -0.818 -3.927 1.00 0.00 C ATOM 437 O LYS A 34 12.761 0.111 -3.152 1.00 0.00 O ATOM 438 CB LYS A 34 15.044 -2.098 -4.621 1.00 0.00 C ATOM 439 CG LYS A 34 16.443 -2.362 -4.045 1.00 0.00 C ATOM 440 CD LYS A 34 16.560 -3.758 -3.424 1.00 0.00 C ATOM 441 CE LYS A 34 18.005 -4.160 -3.115 1.00 0.00 C ATOM 442 NZ LYS A 34 18.663 -3.308 -2.107 1.00 0.00 N ATOM 0 H LYS A 34 13.478 -3.882 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 34 14.462 -1.631 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.767 -2.930 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.083 -1.206 -5.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.186 -2.255 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.671 -1.610 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.976 -3.790 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.123 -4.489 -4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.017 -5.193 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.585 -4.128 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.636 -3.642 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.684 -2.324 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.134 -3.356 -1.213 1.00 0.00 H new ATOM 456 N ARG A 35 12.271 -0.970 -5.058 1.00 0.00 N ATOM 457 CA ARG A 35 11.389 0.025 -5.650 1.00 0.00 C ATOM 458 C ARG A 35 10.330 0.466 -4.638 1.00 0.00 C ATOM 459 O ARG A 35 10.098 1.656 -4.467 1.00 0.00 O ATOM 460 CB ARG A 35 10.810 -0.597 -6.939 1.00 0.00 C ATOM 461 CG ARG A 35 10.428 0.398 -8.043 1.00 0.00 C ATOM 462 CD ARG A 35 9.232 1.241 -7.617 1.00 0.00 C ATOM 463 NE ARG A 35 8.541 1.932 -8.727 1.00 0.00 N ATOM 464 CZ ARG A 35 9.068 2.788 -9.609 1.00 0.00 C ATOM 465 NH1 ARG A 35 10.326 3.197 -9.499 1.00 0.00 N ATOM 466 NH2 ARG A 35 8.344 3.226 -10.628 1.00 0.00 N ATOM 0 H ARG A 35 12.320 -1.828 -5.608 1.00 0.00 H new ATOM 0 HA ARG A 35 11.918 0.940 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.541 -1.297 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.925 -1.177 -6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.276 1.046 -8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.191 -0.142 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.516 0.599 -7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.567 1.986 -6.895 1.00 0.00 H new ATOM 0 HE ARG A 35 7.546 1.732 -8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.907 2.858 -8.732 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.711 3.850 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.381 2.910 -10.742 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.750 3.879 -11.299 1.00 0.00 H new ATOM 480 N VAL A 36 9.710 -0.481 -3.937 1.00 0.00 N ATOM 481 CA VAL A 36 8.708 -0.233 -2.910 1.00 0.00 C ATOM 482 C VAL A 36 9.300 0.641 -1.813 1.00 0.00 C ATOM 483 O VAL A 36 8.731 1.672 -1.467 1.00 0.00 O ATOM 484 CB VAL A 36 8.203 -1.591 -2.387 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.440 -1.481 -1.060 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.215 -2.205 -3.397 1.00 0.00 C ATOM 0 H VAL A 36 9.900 -1.474 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 36 7.855 0.311 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 36 9.095 -2.201 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.111 -2.472 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.094 -1.057 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.572 -0.836 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.861 -3.165 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.367 -1.533 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.717 -2.352 -4.354 1.00 0.00 H new ATOM 496 N LYS A 37 10.428 0.220 -1.246 1.00 0.00 N ATOM 497 CA LYS A 37 11.076 0.946 -0.169 1.00 0.00 C ATOM 498 C LYS A 37 11.427 2.355 -0.590 1.00 0.00 C ATOM 499 O LYS A 37 11.174 3.269 0.180 1.00 0.00 O ATOM 500 CB LYS A 37 12.337 0.204 0.237 1.00 0.00 C ATOM 501 CG LYS A 37 11.975 -0.927 1.199 1.00 0.00 C ATOM 502 CD LYS A 37 13.266 -1.549 1.712 1.00 0.00 C ATOM 503 CE LYS A 37 13.902 -2.483 0.687 1.00 0.00 C ATOM 504 NZ LYS A 37 15.339 -2.632 0.971 1.00 0.00 N ATOM 0 H LYS A 37 10.914 -0.633 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 37 10.387 1.010 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.834 -0.200 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.038 0.890 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.382 -0.544 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.367 -1.677 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.972 -0.759 1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.062 -2.103 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.413 -3.457 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.760 -2.086 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.767 -3.269 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.801 -1.702 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.465 -3.030 1.923 1.00 0.00 H new ATOM 518 N GLU A 38 11.989 2.514 -1.784 1.00 0.00 N ATOM 519 CA GLU A 38 12.331 3.819 -2.336 1.00 0.00 C ATOM 520 C GLU A 38 11.098 4.723 -2.293 1.00 0.00 C ATOM 521 O GLU A 38 11.168 5.801 -1.718 1.00 0.00 O ATOM 522 CB GLU A 38 12.883 3.680 -3.763 1.00 0.00 C ATOM 523 CG GLU A 38 14.210 2.917 -3.848 1.00 0.00 C ATOM 524 CD GLU A 38 15.420 3.748 -3.434 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.758 3.732 -2.228 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.090 4.279 -4.352 1.00 0.00 O ATOM 0 H GLU A 38 12.221 1.735 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 38 13.117 4.274 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.143 3.170 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.020 4.675 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.152 2.033 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.353 2.566 -4.870 1.00 0.00 H new ATOM 533 N VAL A 39 9.954 4.274 -2.824 1.00 0.00 N ATOM 534 CA VAL A 39 8.711 5.045 -2.817 1.00 0.00 C ATOM 535 C VAL A 39 8.277 5.389 -1.384 1.00 0.00 C ATOM 536 O VAL A 39 7.886 6.533 -1.130 1.00 0.00 O ATOM 537 CB VAL A 39 7.618 4.289 -3.610 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.246 4.973 -3.540 1.00 0.00 C ATOM 539 CG2 VAL A 39 8.001 4.189 -5.093 1.00 0.00 C ATOM 0 H VAL A 39 9.867 3.362 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 39 8.878 5.999 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 39 7.548 3.304 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.522 4.396 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.921 5.031 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.319 5.979 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.221 3.654 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.111 5.191 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.944 3.651 -5.190 1.00 0.00 H new ATOM 549 N LEU A 40 8.322 4.431 -0.449 1.00 0.00 N ATOM 550 CA LEU A 40 7.910 4.669 0.934 1.00 0.00 C ATOM 551 C LEU A 40 8.821 5.702 1.593 1.00 0.00 C ATOM 552 O LEU A 40 8.316 6.634 2.215 1.00 0.00 O ATOM 553 CB LEU A 40 7.863 3.369 1.767 1.00 0.00 C ATOM 554 CG LEU A 40 6.803 2.357 1.296 1.00 0.00 C ATOM 555 CD1 LEU A 40 6.972 1.036 2.055 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.381 2.887 1.502 1.00 0.00 C ATOM 0 H LEU A 40 8.642 3.480 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 40 6.894 5.062 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.843 2.894 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.668 3.625 2.808 1.00 0.00 H new ATOM 0 HG LEU A 40 6.951 2.195 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.219 0.324 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.966 0.631 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.851 1.212 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.662 2.144 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.217 3.087 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.250 3.808 0.935 1.00 0.00 H new ATOM 568 N THR A 41 10.132 5.550 1.451 1.00 0.00 N ATOM 569 CA THR A 41 11.140 6.469 1.929 1.00 0.00 C ATOM 570 C THR A 41 10.901 7.864 1.329 1.00 0.00 C ATOM 571 O THR A 41 10.808 8.836 2.080 1.00 0.00 O ATOM 572 CB THR A 41 12.510 5.859 1.574 1.00 0.00 C ATOM 573 OG1 THR A 41 12.741 4.677 2.327 1.00 0.00 O ATOM 574 CG2 THR A 41 13.663 6.819 1.832 1.00 0.00 C ATOM 0 H THR A 41 10.533 4.742 0.976 1.00 0.00 H new ATOM 0 HA THR A 41 11.099 6.610 3.009 1.00 0.00 H new ATOM 0 HB THR A 41 12.474 5.636 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.321 3.915 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.604 6.338 1.565 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.531 7.717 1.229 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.681 7.090 2.888 1.00 0.00 H new ATOM 582 N ASP A 42 10.781 7.977 0.004 1.00 0.00 N ATOM 583 CA ASP A 42 10.678 9.247 -0.719 1.00 0.00 C ATOM 584 C ASP A 42 9.413 10.012 -0.311 1.00 0.00 C ATOM 585 O ASP A 42 9.420 11.243 -0.284 1.00 0.00 O ATOM 586 CB ASP A 42 10.701 9.005 -2.245 1.00 0.00 C ATOM 587 CG ASP A 42 12.111 8.861 -2.837 1.00 0.00 C ATOM 588 OD1 ASP A 42 13.023 9.623 -2.439 1.00 0.00 O ATOM 589 OD2 ASP A 42 12.337 8.010 -3.733 1.00 0.00 O ATOM 0 H ASP A 42 10.752 7.165 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 42 11.540 9.859 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.132 8.103 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.193 9.832 -2.741 1.00 0.00 H new ATOM 594 N ASN A 43 8.335 9.308 0.059 1.00 0.00 N ATOM 595 CA ASN A 43 7.076 9.895 0.529 1.00 0.00 C ATOM 596 C ASN A 43 7.004 9.955 2.060 1.00 0.00 C ATOM 597 O ASN A 43 5.951 10.253 2.629 1.00 0.00 O ATOM 598 CB ASN A 43 5.890 9.136 -0.079 1.00 0.00 C ATOM 599 CG ASN A 43 5.785 9.466 -1.559 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.141 10.439 -1.930 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.436 8.687 -2.407 1.00 0.00 N ATOM 0 H ASN A 43 8.315 8.288 0.039 1.00 0.00 H new ATOM 0 HA ASN A 43 7.030 10.930 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.023 8.063 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.967 9.411 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.412 8.889 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.962 7.885 -2.061 1.00 0.00 H new ATOM 608 N ASN A 44 8.116 9.689 2.753 1.00 0.00 N ATOM 609 CA ASN A 44 8.252 9.746 4.208 1.00 0.00 C ATOM 610 C ASN A 44 7.214 8.873 4.928 1.00 0.00 C ATOM 611 O ASN A 44 6.739 9.224 6.011 1.00 0.00 O ATOM 612 CB ASN A 44 8.267 11.215 4.684 1.00 0.00 C ATOM 613 CG ASN A 44 9.651 11.816 4.540 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.500 11.559 5.390 1.00 0.00 O ATOM 615 ND2 ASN A 44 9.912 12.592 3.501 1.00 0.00 N ATOM 0 H ASN A 44 8.984 9.416 2.292 1.00 0.00 H new ATOM 0 HA ASN A 44 9.213 9.311 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.551 11.797 4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.950 11.267 5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.841 12.997 3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.184 12.785 2.813 1.00 0.00 H new ATOM 622 N LEU A 45 6.842 7.726 4.362 1.00 0.00 N ATOM 623 CA LEU A 45 5.813 6.833 4.890 1.00 0.00 C ATOM 624 C LEU A 45 6.380 5.830 5.899 1.00 0.00 C ATOM 625 O LEU A 45 7.594 5.753 6.129 1.00 0.00 O ATOM 626 CB LEU A 45 5.148 6.109 3.709 1.00 0.00 C ATOM 627 CG LEU A 45 4.244 7.034 2.876 1.00 0.00 C ATOM 628 CD1 LEU A 45 3.948 6.336 1.555 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.921 7.340 3.593 1.00 0.00 C ATOM 0 H LEU A 45 7.261 7.383 3.498 1.00 0.00 H new ATOM 0 HA LEU A 45 5.075 7.425 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.920 5.688 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.557 5.274 4.086 1.00 0.00 H new ATOM 0 HG LEU A 45 4.760 7.982 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.307 6.971 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.882 6.147 1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.442 5.390 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.313 7.996 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.382 6.410 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.128 7.831 4.544 1.00 0.00 H new ATOM 641 N GLY A 46 5.480 5.042 6.491 1.00 0.00 N ATOM 642 CA GLY A 46 5.752 3.998 7.462 1.00 0.00 C ATOM 643 C GLY A 46 5.595 2.631 6.805 1.00 0.00 C ATOM 644 O GLY A 46 4.505 2.329 6.312 1.00 0.00 O ATOM 0 H GLY A 46 4.484 5.127 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.762 4.109 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.069 4.087 8.307 1.00 0.00 H new ATOM 648 N GLN A 47 6.642 1.794 6.824 1.00 0.00 N ATOM 649 CA GLN A 47 6.603 0.415 6.323 1.00 0.00 C ATOM 650 C GLN A 47 5.401 -0.347 6.900 1.00 0.00 C ATOM 651 O GLN A 47 4.747 -1.094 6.177 1.00 0.00 O ATOM 652 CB GLN A 47 7.899 -0.343 6.684 1.00 0.00 C ATOM 653 CG GLN A 47 9.010 -0.215 5.633 1.00 0.00 C ATOM 654 CD GLN A 47 10.320 -0.831 6.127 1.00 0.00 C ATOM 655 OE1 GLN A 47 10.928 -0.340 7.072 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.780 -1.917 5.525 1.00 0.00 N ATOM 0 H GLN A 47 7.554 2.062 7.194 1.00 0.00 H new ATOM 0 HA GLN A 47 6.508 0.469 5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.271 0.029 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.664 -1.398 6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.699 -0.707 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.168 0.837 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.269 -2.320 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.645 -2.351 5.847 1.00 0.00 H new ATOM 665 N ARG A 48 5.096 -0.163 8.194 1.00 0.00 N ATOM 666 CA ARG A 48 3.995 -0.864 8.861 1.00 0.00 C ATOM 667 C ARG A 48 2.661 -0.578 8.178 1.00 0.00 C ATOM 668 O ARG A 48 1.860 -1.490 8.054 1.00 0.00 O ATOM 669 CB ARG A 48 3.946 -0.503 10.360 1.00 0.00 C ATOM 670 CG ARG A 48 2.989 -1.391 11.184 1.00 0.00 C ATOM 671 CD ARG A 48 3.091 -1.038 12.679 1.00 0.00 C ATOM 672 NE ARG A 48 2.293 -1.942 13.521 1.00 0.00 N ATOM 673 CZ ARG A 48 2.271 -1.979 14.863 1.00 0.00 C ATOM 674 NH1 ARG A 48 3.146 -1.290 15.597 1.00 0.00 N ATOM 675 NH2 ARG A 48 1.352 -2.719 15.467 1.00 0.00 N ATOM 0 H ARG A 48 5.607 0.476 8.804 1.00 0.00 H new ATOM 0 HA ARG A 48 4.179 -1.935 8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.950 -0.583 10.776 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.640 0.538 10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.964 -1.252 10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.236 -2.442 11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.135 -1.082 12.990 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.756 -0.012 12.832 1.00 0.00 H new ATOM 0 HE ARG A 48 1.694 -2.610 13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.855 -0.716 15.140 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.106 -1.337 16.615 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.678 -3.247 14.913 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.319 -2.760 16.486 1.00 0.00 H new ATOM 689 N LEU A 49 2.409 0.661 7.741 1.00 0.00 N ATOM 690 CA LEU A 49 1.137 1.019 7.119 1.00 0.00 C ATOM 691 C LEU A 49 0.985 0.266 5.798 1.00 0.00 C ATOM 692 O LEU A 49 -0.055 -0.334 5.536 1.00 0.00 O ATOM 693 CB LEU A 49 1.088 2.539 6.868 1.00 0.00 C ATOM 694 CG LEU A 49 -0.318 3.166 6.937 1.00 0.00 C ATOM 695 CD1 LEU A 49 -0.241 4.558 6.297 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.446 2.336 6.316 1.00 0.00 C ATOM 0 H LEU A 49 3.074 1.432 7.809 1.00 0.00 H new ATOM 0 HA LEU A 49 0.319 0.744 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.726 3.034 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.513 2.744 5.885 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.593 3.216 7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.224 5.029 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.474 5.171 6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.081 4.464 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.390 2.870 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.237 2.171 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.515 1.375 6.827 1.00 0.00 H new ATOM 708 N PHE A 50 2.029 0.299 4.963 1.00 0.00 N ATOM 709 CA PHE A 50 2.060 -0.422 3.696 1.00 0.00 C ATOM 710 C PHE A 50 1.838 -1.918 3.929 1.00 0.00 C ATOM 711 O PHE A 50 1.031 -2.546 3.238 1.00 0.00 O ATOM 712 CB PHE A 50 3.402 -0.141 3.006 1.00 0.00 C ATOM 713 CG PHE A 50 3.714 -1.036 1.823 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.161 -0.748 0.562 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.539 -2.169 1.990 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.444 -1.584 -0.528 1.00 0.00 C ATOM 717 CE2 PHE A 50 4.835 -2.997 0.892 1.00 0.00 C ATOM 718 CZ PHE A 50 4.292 -2.690 -0.367 1.00 0.00 C ATOM 0 H PHE A 50 2.878 0.831 5.153 1.00 0.00 H new ATOM 0 HA PHE A 50 1.255 -0.081 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.411 0.896 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.200 -0.245 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.522 0.113 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.944 -2.401 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.008 -1.376 -1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.473 -3.860 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.529 -3.311 -1.218 1.00 0.00 H new ATOM 728 N GLY A 51 2.545 -2.487 4.909 1.00 0.00 N ATOM 729 CA GLY A 51 2.392 -3.892 5.231 1.00 0.00 C ATOM 730 C GLY A 51 1.013 -4.196 5.787 1.00 0.00 C ATOM 731 O GLY A 51 0.539 -5.292 5.566 1.00 0.00 O ATOM 0 H GLY A 51 3.224 -1.991 5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.563 -4.491 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.150 -4.183 5.959 1.00 0.00 H new ATOM 735 N GLU A 52 0.337 -3.268 6.455 1.00 0.00 N ATOM 736 CA GLU A 52 -0.993 -3.494 7.000 1.00 0.00 C ATOM 737 C GLU A 52 -2.038 -3.383 5.889 1.00 0.00 C ATOM 738 O GLU A 52 -2.675 -4.380 5.542 1.00 0.00 O ATOM 739 CB GLU A 52 -1.234 -2.490 8.139 1.00 0.00 C ATOM 740 CG GLU A 52 -0.600 -2.976 9.454 1.00 0.00 C ATOM 741 CD GLU A 52 -1.471 -3.973 10.221 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.711 -5.108 9.744 1.00 0.00 O ATOM 743 OE2 GLU A 52 -1.892 -3.627 11.348 1.00 0.00 O ATOM 0 H GLU A 52 0.701 -2.332 6.634 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.077 -4.500 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.816 -1.521 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.305 -2.347 8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.362 -3.440 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.400 -2.115 10.092 1.00 0.00 H new ATOM 750 N SER A 53 -2.207 -2.193 5.306 1.00 0.00 N ATOM 751 CA SER A 53 -3.273 -1.914 4.362 1.00 0.00 C ATOM 752 C SER A 53 -3.135 -2.675 3.044 1.00 0.00 C ATOM 753 O SER A 53 -4.162 -2.997 2.444 1.00 0.00 O ATOM 754 CB SER A 53 -3.318 -0.410 4.111 1.00 0.00 C ATOM 755 OG SER A 53 -3.981 0.252 5.182 1.00 0.00 O ATOM 0 H SER A 53 -1.598 -1.394 5.483 1.00 0.00 H new ATOM 0 HA SER A 53 -4.207 -2.261 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.305 -0.022 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.835 -0.207 3.173 1.00 0.00 H new ATOM 0 HG SER A 53 -4.570 0.947 4.822 1.00 0.00 H new ATOM 761 N ILE A 54 -1.917 -2.971 2.577 1.00 0.00 N ATOM 762 CA ILE A 54 -1.755 -3.790 1.380 1.00 0.00 C ATOM 763 C ILE A 54 -1.573 -5.250 1.788 1.00 0.00 C ATOM 764 O ILE A 54 -2.330 -6.113 1.342 1.00 0.00 O ATOM 765 CB ILE A 54 -0.625 -3.284 0.445 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.481 -1.750 0.369 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.875 -3.850 -0.970 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.714 -1.034 -0.166 1.00 0.00 C ATOM 0 H ILE A 54 -1.045 -2.660 3.004 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.663 -3.705 0.783 1.00 0.00 H new ATOM 0 HB ILE A 54 0.313 -3.639 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.256 -1.368 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.371 -1.507 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.090 -3.505 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.869 -4.939 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.843 -3.505 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.530 0.040 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.930 -1.385 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.566 -1.244 0.481 1.00 0.00 H new ATOM 780 N LEU A 55 -0.544 -5.562 2.582 1.00 0.00 N ATOM 781 CA LEU A 55 -0.060 -6.941 2.679 1.00 0.00 C ATOM 782 C LEU A 55 -0.784 -7.760 3.747 1.00 0.00 C ATOM 783 O LEU A 55 -0.973 -8.964 3.564 1.00 0.00 O ATOM 784 CB LEU A 55 1.463 -6.965 2.873 1.00 0.00 C ATOM 785 CG LEU A 55 2.238 -6.277 1.731 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.733 -6.530 1.915 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.794 -6.768 0.348 1.00 0.00 C ATOM 0 H LEU A 55 -0.037 -4.890 3.158 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.294 -7.428 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.709 -6.476 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.795 -8.000 2.955 1.00 0.00 H new ATOM 0 HG LEU A 55 2.024 -5.209 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.286 -6.046 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.056 -6.123 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.926 -7.603 1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.369 -6.254 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.964 -7.842 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.733 -6.558 0.210 1.00 0.00 H new ATOM 799 N GLY A 56 -1.225 -7.135 4.829 1.00 0.00 N ATOM 800 CA GLY A 56 -1.545 -7.815 6.062 1.00 0.00 C ATOM 801 C GLY A 56 -0.314 -8.524 6.627 1.00 0.00 C ATOM 802 O GLY A 56 -0.340 -9.744 6.816 1.00 0.00 O ATOM 0 H GLY A 56 -1.371 -6.126 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.923 -7.098 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.339 -8.540 5.887 1.00 0.00 H new ATOM 806 N LEU A 57 0.770 -7.796 6.902 1.00 0.00 N ATOM 807 CA LEU A 57 1.924 -8.242 7.677 1.00 0.00 C ATOM 808 C LEU A 57 2.232 -7.158 8.708 1.00 0.00 C ATOM 809 O LEU A 57 2.015 -5.976 8.430 1.00 0.00 O ATOM 810 CB LEU A 57 3.127 -8.389 6.739 1.00 0.00 C ATOM 811 CG LEU A 57 3.040 -9.601 5.799 1.00 0.00 C ATOM 812 CD1 LEU A 57 4.011 -9.365 4.647 1.00 0.00 C ATOM 813 CD2 LEU A 57 3.379 -10.916 6.513 1.00 0.00 C ATOM 0 H LEU A 57 0.869 -6.835 6.574 1.00 0.00 H new ATOM 0 HA LEU A 57 1.720 -9.196 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.221 -7.483 6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.034 -8.471 7.338 1.00 0.00 H new ATOM 0 HG LEU A 57 2.016 -9.698 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.973 -10.210 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.733 -8.454 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.023 -9.262 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.304 -11.743 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.395 -10.866 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.680 -11.075 7.334 1.00 0.00 H new ATOM 825 N THR A 58 2.792 -7.540 9.862 1.00 0.00 N ATOM 826 CA THR A 58 3.222 -6.539 10.832 1.00 0.00 C ATOM 827 C THR A 58 4.596 -5.989 10.452 1.00 0.00 C ATOM 828 O THR A 58 5.268 -6.507 9.558 1.00 0.00 O ATOM 829 CB THR A 58 3.057 -6.993 12.291 1.00 0.00 C ATOM 830 OG1 THR A 58 3.054 -5.855 13.137 1.00 0.00 O ATOM 831 CG2 THR A 58 4.166 -7.916 12.754 1.00 0.00 C ATOM 0 H THR A 58 2.953 -8.509 10.138 1.00 0.00 H new ATOM 0 HA THR A 58 2.542 -5.689 10.783 1.00 0.00 H new ATOM 0 HB THR A 58 2.117 -7.542 12.344 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.947 -6.140 14.068 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.993 -8.201 13.792 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.180 -8.809 12.130 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.124 -7.402 12.674 1.00 0.00 H new ATOM 839 N GLN A 59 5.017 -4.927 11.145 1.00 0.00 N ATOM 840 CA GLN A 59 6.225 -4.177 10.840 1.00 0.00 C ATOM 841 C GLN A 59 7.443 -5.099 10.797 1.00 0.00 C ATOM 842 O GLN A 59 8.227 -4.979 9.863 1.00 0.00 O ATOM 843 CB GLN A 59 6.382 -3.022 11.843 1.00 0.00 C ATOM 844 CG GLN A 59 7.377 -1.928 11.405 1.00 0.00 C ATOM 845 CD GLN A 59 8.812 -2.181 11.866 1.00 0.00 C ATOM 846 OE1 GLN A 59 9.190 -3.294 12.211 1.00 0.00 O ATOM 847 NE2 GLN A 59 9.642 -1.158 11.907 1.00 0.00 N ATOM 0 H GLN A 59 4.511 -4.561 11.952 1.00 0.00 H new ATOM 0 HA GLN A 59 6.143 -3.738 9.846 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.406 -2.564 12.007 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.707 -3.430 12.800 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.363 -1.851 10.318 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.043 -0.968 11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.325 -0.232 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.601 -1.292 12.226 1.00 0.00 H new ATOM 856 N GLY A 60 7.599 -6.012 11.760 1.00 0.00 N ATOM 857 CA GLY A 60 8.737 -6.923 11.806 1.00 0.00 C ATOM 858 C GLY A 60 8.744 -7.830 10.580 1.00 0.00 C ATOM 859 O GLY A 60 9.746 -7.903 9.864 1.00 0.00 O ATOM 0 H GLY A 60 6.938 -6.137 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.665 -6.353 11.850 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.691 -7.527 12.712 1.00 0.00 H new ATOM 863 N SER A 61 7.615 -8.485 10.313 1.00 0.00 N ATOM 864 CA SER A 61 7.414 -9.416 9.215 1.00 0.00 C ATOM 865 C SER A 61 7.709 -8.755 7.866 1.00 0.00 C ATOM 866 O SER A 61 8.385 -9.340 7.015 1.00 0.00 O ATOM 867 CB SER A 61 5.955 -9.882 9.260 1.00 0.00 C ATOM 868 OG SER A 61 5.521 -10.146 10.580 1.00 0.00 O ATOM 0 H SER A 61 6.779 -8.372 10.886 1.00 0.00 H new ATOM 0 HA SER A 61 8.096 -10.260 9.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.317 -9.118 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.844 -10.782 8.655 1.00 0.00 H new ATOM 0 HG SER A 61 4.586 -10.439 10.565 1.00 0.00 H new ATOM 874 N VAL A 62 7.200 -7.536 7.667 1.00 0.00 N ATOM 875 CA VAL A 62 7.377 -6.784 6.438 1.00 0.00 C ATOM 876 C VAL A 62 8.804 -6.228 6.358 1.00 0.00 C ATOM 877 O VAL A 62 9.358 -6.137 5.262 1.00 0.00 O ATOM 878 CB VAL A 62 6.262 -5.713 6.334 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.703 -4.272 6.633 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.626 -5.765 4.947 1.00 0.00 C ATOM 0 H VAL A 62 6.647 -7.044 8.369 1.00 0.00 H new ATOM 0 HA VAL A 62 7.270 -7.427 5.565 1.00 0.00 H new ATOM 0 HB VAL A 62 5.548 -5.970 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.849 -3.602 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.092 -4.214 7.650 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.481 -3.976 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.842 -5.011 4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.386 -5.569 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.195 -6.752 4.781 1.00 0.00 H new ATOM 890 N SER A 63 9.421 -5.874 7.492 1.00 0.00 N ATOM 891 CA SER A 63 10.796 -5.410 7.519 1.00 0.00 C ATOM 892 C SER A 63 11.703 -6.527 7.023 1.00 0.00 C ATOM 893 O SER A 63 12.533 -6.251 6.159 1.00 0.00 O ATOM 894 CB SER A 63 11.219 -4.904 8.905 1.00 0.00 C ATOM 895 OG SER A 63 10.495 -3.738 9.242 1.00 0.00 O ATOM 0 H SER A 63 8.975 -5.904 8.409 1.00 0.00 H new ATOM 0 HA SER A 63 10.886 -4.550 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.043 -5.678 9.652 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.288 -4.691 8.912 1.00 0.00 H new ATOM 0 HG SER A 63 9.684 -3.987 9.732 1.00 0.00 H new ATOM 901 N ASP A 64 11.513 -7.768 7.489 1.00 0.00 N ATOM 902 CA ASP A 64 12.211 -8.938 6.952 1.00 0.00 C ATOM 903 C ASP A 64 11.978 -9.040 5.453 1.00 0.00 C ATOM 904 O ASP A 64 12.951 -9.125 4.704 1.00 0.00 O ATOM 905 CB ASP A 64 11.769 -10.240 7.635 1.00 0.00 C ATOM 906 CG ASP A 64 12.136 -11.478 6.803 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.349 -11.789 6.710 1.00 0.00 O ATOM 908 OD2 ASP A 64 11.211 -12.130 6.269 1.00 0.00 O ATOM 0 H ASP A 64 10.870 -7.987 8.250 1.00 0.00 H new ATOM 0 HA ASP A 64 13.274 -8.803 7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.236 -10.311 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.691 -10.217 7.796 1.00 0.00 H new ATOM 913 N LEU A 65 10.710 -8.979 5.025 1.00 0.00 N ATOM 914 CA LEU A 65 10.342 -9.208 3.635 1.00 0.00 C ATOM 915 C LEU A 65 11.085 -8.253 2.705 1.00 0.00 C ATOM 916 O LEU A 65 11.565 -8.661 1.653 1.00 0.00 O ATOM 917 CB LEU A 65 8.819 -9.057 3.458 1.00 0.00 C ATOM 918 CG LEU A 65 8.328 -9.926 2.289 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.185 -11.382 2.755 1.00 0.00 C ATOM 920 CD2 LEU A 65 6.981 -9.436 1.753 1.00 0.00 C ATOM 0 H LEU A 65 9.919 -8.770 5.635 1.00 0.00 H new ATOM 0 HA LEU A 65 10.629 -10.225 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.309 -9.349 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.570 -8.012 3.273 1.00 0.00 H new ATOM 0 HG LEU A 65 9.063 -9.856 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.837 -11.997 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.151 -11.750 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.465 -11.434 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.664 -10.073 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.237 -9.476 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.081 -8.409 1.401 1.00 0.00 H new ATOM 932 N LEU A 66 11.160 -6.981 3.094 1.00 0.00 N ATOM 933 CA LEU A 66 11.755 -5.903 2.314 1.00 0.00 C ATOM 934 C LEU A 66 13.278 -5.843 2.452 1.00 0.00 C ATOM 935 O LEU A 66 13.977 -5.406 1.540 1.00 0.00 O ATOM 936 CB LEU A 66 11.107 -4.580 2.759 1.00 0.00 C ATOM 937 CG LEU A 66 9.612 -4.482 2.393 1.00 0.00 C ATOM 938 CD1 LEU A 66 8.974 -3.220 2.980 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.452 -4.490 0.876 1.00 0.00 C ATOM 0 H LEU A 66 10.795 -6.664 3.992 1.00 0.00 H new ATOM 0 HA LEU A 66 11.563 -6.087 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.218 -4.474 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.642 -3.749 2.300 1.00 0.00 H new ATOM 0 HG LEU A 66 9.101 -5.345 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.920 -3.182 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.063 -3.239 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.484 -2.339 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.394 -4.421 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.984 -3.640 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.863 -5.415 0.472 1.00 0.00 H new ATOM 951 N SER A 67 13.788 -6.263 3.600 1.00 0.00 N ATOM 952 CA SER A 67 15.213 -6.314 3.916 1.00 0.00 C ATOM 953 C SER A 67 15.886 -7.439 3.131 1.00 0.00 C ATOM 954 O SER A 67 16.883 -7.218 2.434 1.00 0.00 O ATOM 955 CB SER A 67 15.369 -6.511 5.429 1.00 0.00 C ATOM 956 OG SER A 67 16.706 -6.596 5.859 1.00 0.00 O ATOM 0 H SER A 67 13.201 -6.590 4.368 1.00 0.00 H new ATOM 0 HA SER A 67 15.700 -5.382 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.884 -5.683 5.945 1.00 0.00 H new ATOM 0 HB3 SER A 67 14.845 -7.420 5.723 1.00 0.00 H new ATOM 0 HG SER A 67 16.730 -6.719 6.831 1.00 0.00 H new ATOM 962 N ARG A 68 15.350 -8.655 3.256 1.00 0.00 N ATOM 963 CA ARG A 68 15.918 -9.884 2.720 1.00 0.00 C ATOM 964 C ARG A 68 14.779 -10.672 2.073 1.00 0.00 C ATOM 965 O ARG A 68 14.317 -11.660 2.648 1.00 0.00 O ATOM 966 CB ARG A 68 16.636 -10.667 3.840 1.00 0.00 C ATOM 967 CG ARG A 68 17.880 -9.925 4.354 1.00 0.00 C ATOM 968 CD ARG A 68 18.664 -10.771 5.364 1.00 0.00 C ATOM 969 NE ARG A 68 20.010 -10.214 5.588 1.00 0.00 N ATOM 970 CZ ARG A 68 21.064 -10.412 4.782 1.00 0.00 C ATOM 971 NH1 ARG A 68 21.008 -11.277 3.774 1.00 0.00 N ATOM 972 NH2 ARG A 68 22.192 -9.737 4.961 1.00 0.00 N ATOM 0 H ARG A 68 14.474 -8.812 3.754 1.00 0.00 H new ATOM 0 HA ARG A 68 16.675 -9.682 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.945 -10.833 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.928 -11.649 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.525 -9.670 3.514 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.578 -8.987 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.122 -10.811 6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.746 -11.795 5.000 1.00 0.00 H new ATOM 0 HE ARG A 68 20.150 -9.636 6.416 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.152 -11.805 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.821 -11.413 3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 68 22.265 -9.058 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.986 -9.897 4.341 1.00 0.00 H new ATOM 986 N PRO A 69 14.299 -10.262 0.889 1.00 0.00 N ATOM 987 CA PRO A 69 13.300 -11.034 0.169 1.00 0.00 C ATOM 988 C PRO A 69 13.912 -12.364 -0.263 1.00 0.00 C ATOM 989 O PRO A 69 15.069 -12.421 -0.687 1.00 0.00 O ATOM 990 CB PRO A 69 12.921 -10.186 -1.039 1.00 0.00 C ATOM 991 CG PRO A 69 14.172 -9.349 -1.291 1.00 0.00 C ATOM 992 CD PRO A 69 14.714 -9.101 0.115 1.00 0.00 C ATOM 0 HA PRO A 69 12.423 -11.260 0.775 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.671 -10.804 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.053 -9.559 -0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.893 -9.880 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.936 -8.416 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.799 -8.999 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.310 -8.181 0.537 1.00 0.00 H new ATOM 1000 N LYS A 70 13.125 -13.438 -0.210 1.00 0.00 N ATOM 1001 CA LYS A 70 13.510 -14.681 -0.871 1.00 0.00 C ATOM 1002 C LYS A 70 13.353 -14.520 -2.389 1.00 0.00 C ATOM 1003 O LYS A 70 12.580 -13.667 -2.835 1.00 0.00 O ATOM 1004 CB LYS A 70 12.668 -15.851 -0.344 1.00 0.00 C ATOM 1005 CG LYS A 70 13.353 -16.596 0.821 1.00 0.00 C ATOM 1006 CD LYS A 70 12.474 -16.749 2.066 1.00 0.00 C ATOM 1007 CE LYS A 70 11.139 -17.435 1.759 1.00 0.00 C ATOM 1008 NZ LYS A 70 10.224 -17.392 2.915 1.00 0.00 N ATOM 0 H LYS A 70 12.229 -13.472 0.277 1.00 0.00 H new ATOM 0 HA LYS A 70 14.554 -14.903 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.700 -15.477 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.477 -16.552 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.655 -17.586 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.263 -16.062 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.012 -17.327 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.283 -15.766 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.668 -16.949 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.320 -18.472 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.331 -17.866 2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.663 -17.878 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.032 -16.402 3.169 1.00 0.00 H new ATOM 1022 N PRO A 71 14.042 -15.359 -3.179 1.00 0.00 N ATOM 1023 CA PRO A 71 13.827 -15.442 -4.614 1.00 0.00 C ATOM 1024 C PRO A 71 12.382 -15.795 -4.951 1.00 0.00 C ATOM 1025 O PRO A 71 11.744 -16.573 -4.233 1.00 0.00 O ATOM 1026 CB PRO A 71 14.750 -16.553 -5.113 1.00 0.00 C ATOM 1027 CG PRO A 71 15.766 -16.790 -4.000 1.00 0.00 C ATOM 1028 CD PRO A 71 15.128 -16.219 -2.741 1.00 0.00 C ATOM 0 HA PRO A 71 14.036 -14.481 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.187 -17.461 -5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.247 -16.261 -6.038 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.981 -17.852 -3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.712 -16.295 -4.220 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.755 -17.017 -2.099 1.00 0.00 H new ATOM 0 HD3 PRO A 71 15.857 -15.656 -2.158 1.00 0.00 H new ATOM 1036 N TRP A 72 11.912 -15.363 -6.120 1.00 0.00 N ATOM 1037 CA TRP A 72 10.639 -15.822 -6.663 1.00 0.00 C ATOM 1038 C TRP A 72 10.635 -17.333 -6.880 1.00 0.00 C ATOM 1039 O TRP A 72 9.599 -17.964 -6.672 1.00 0.00 O ATOM 1040 CB TRP A 72 10.373 -15.104 -7.978 1.00 0.00 C ATOM 1041 CG TRP A 72 9.052 -15.383 -8.609 1.00 0.00 C ATOM 1042 CD1 TRP A 72 8.809 -16.350 -9.519 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.786 -14.691 -8.401 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.488 -16.298 -9.906 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.811 -15.304 -9.237 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.361 -13.604 -7.605 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.483 -14.879 -9.260 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 6.031 -13.141 -7.658 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.096 -13.780 -8.489 1.00 0.00 C ATOM 0 H TRP A 72 12.400 -14.690 -6.712 1.00 0.00 H new ATOM 0 HA TRP A 72 9.852 -15.592 -5.945 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.455 -14.030 -7.808 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.157 -15.375 -8.684 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.538 -17.056 -9.887 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.066 -16.916 -10.599 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.066 -13.120 -6.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.758 -15.397 -9.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.730 -12.294 -7.059 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.078 -13.422 -8.532 1.00 0.00 H new ATOM 1060 N HIS A 73 11.773 -17.941 -7.246 1.00 0.00 N ATOM 1061 CA HIS A 73 11.844 -19.395 -7.357 1.00 0.00 C ATOM 1062 C HIS A 73 11.497 -20.046 -6.007 1.00 0.00 C ATOM 1063 O HIS A 73 10.696 -20.979 -5.947 1.00 0.00 O ATOM 1064 CB HIS A 73 13.197 -19.865 -7.929 1.00 0.00 C ATOM 1065 CG HIS A 73 14.340 -20.045 -6.950 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.513 -19.323 -6.901 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.464 -21.070 -6.051 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.319 -19.892 -5.993 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.722 -20.968 -5.449 1.00 0.00 N ATOM 0 H HIS A 73 12.641 -17.453 -7.466 1.00 0.00 H new ATOM 0 HA HIS A 73 11.097 -19.727 -8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.036 -20.815 -8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 73 13.511 -19.147 -8.686 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.720 -21.825 -5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.306 -19.537 -5.735 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.110 -21.587 -4.738 1.00 0.00 H new ATOM 1077 N LYS A 74 12.091 -19.529 -4.925 1.00 0.00 N ATOM 1078 CA LYS A 74 11.984 -20.037 -3.561 1.00 0.00 C ATOM 1079 C LYS A 74 10.556 -19.916 -3.052 1.00 0.00 C ATOM 1080 O LYS A 74 10.088 -20.797 -2.325 1.00 0.00 O ATOM 1081 CB LYS A 74 12.956 -19.242 -2.659 1.00 0.00 C ATOM 1082 CG LYS A 74 14.238 -20.020 -2.361 1.00 0.00 C ATOM 1083 CD LYS A 74 14.135 -20.855 -1.077 1.00 0.00 C ATOM 1084 CE LYS A 74 15.295 -21.854 -1.068 1.00 0.00 C ATOM 1085 NZ LYS A 74 15.252 -22.788 0.073 1.00 0.00 N ATOM 0 H LYS A 74 12.688 -18.704 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 74 12.250 -21.094 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.210 -18.300 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.458 -18.994 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.464 -20.677 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.070 -19.322 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.180 -20.211 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.180 -21.379 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.281 -22.425 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.237 -21.306 -1.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.063 -23.437 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.294 -22.251 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.368 -23.335 0.041 1.00 0.00 H new ATOM 1099 N LEU A 75 9.897 -18.805 -3.363 1.00 0.00 N ATOM 1100 CA LEU A 75 8.546 -18.514 -2.922 1.00 0.00 C ATOM 1101 C LEU A 75 7.576 -19.315 -3.786 1.00 0.00 C ATOM 1102 O LEU A 75 7.673 -19.316 -5.010 1.00 0.00 O ATOM 1103 CB LEU A 75 8.283 -17.008 -3.062 1.00 0.00 C ATOM 1104 CG LEU A 75 9.138 -16.111 -2.142 1.00 0.00 C ATOM 1105 CD1 LEU A 75 8.998 -14.667 -2.617 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.740 -16.202 -0.664 1.00 0.00 C ATOM 0 H LEU A 75 10.300 -18.068 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 75 8.411 -18.792 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.462 -16.717 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.230 -16.817 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 75 10.169 -16.459 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.595 -14.015 -1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.347 -14.587 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.952 -14.367 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.381 -15.547 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.701 -15.895 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.855 -17.229 -0.319 1.00 0.00 H new ATOM 1118 N SER A 76 6.602 -19.969 -3.166 1.00 0.00 N ATOM 1119 CA SER A 76 5.407 -20.490 -3.838 1.00 0.00 C ATOM 1120 C SER A 76 4.308 -19.424 -3.835 1.00 0.00 C ATOM 1121 O SER A 76 4.570 -18.339 -3.332 1.00 0.00 O ATOM 1122 CB SER A 76 5.017 -21.779 -3.120 1.00 0.00 C ATOM 1123 OG SER A 76 6.120 -22.676 -3.158 1.00 0.00 O ATOM 0 H SER A 76 6.616 -20.158 -2.164 1.00 0.00 H new ATOM 0 HA SER A 76 5.586 -20.723 -4.888 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.738 -21.567 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.147 -22.229 -3.599 1.00 0.00 H new ATOM 0 HG SER A 76 5.881 -23.508 -2.698 1.00 0.00 H new ATOM 1129 N LEU A 77 3.097 -19.686 -4.347 1.00 0.00 N ATOM 1130 CA LEU A 77 2.016 -18.686 -4.470 1.00 0.00 C ATOM 1131 C LEU A 77 1.845 -17.839 -3.202 1.00 0.00 C ATOM 1132 O LEU A 77 2.038 -16.635 -3.240 1.00 0.00 O ATOM 1133 CB LEU A 77 0.673 -19.336 -4.834 1.00 0.00 C ATOM 1134 CG LEU A 77 0.676 -20.147 -6.136 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.719 -20.727 -6.364 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.082 -19.331 -7.356 1.00 0.00 C ATOM 0 H LEU A 77 2.833 -20.609 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 77 2.323 -18.025 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.370 -19.991 -4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.082 -18.554 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 77 1.421 -20.934 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.726 -21.305 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.985 -21.375 -5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.443 -19.915 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.063 -19.966 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.386 -18.503 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.089 -18.939 -7.213 1.00 0.00 H new ATOM 1148 N LYS A 78 1.592 -18.473 -2.056 1.00 0.00 N ATOM 1149 CA LYS A 78 1.524 -17.849 -0.728 1.00 0.00 C ATOM 1150 C LYS A 78 2.749 -17.014 -0.333 1.00 0.00 C ATOM 1151 O LYS A 78 2.662 -16.088 0.474 1.00 0.00 O ATOM 1152 CB LYS A 78 1.209 -18.889 0.350 1.00 0.00 C ATOM 1153 CG LYS A 78 2.060 -20.168 0.321 1.00 0.00 C ATOM 1154 CD LYS A 78 1.558 -21.184 -0.722 1.00 0.00 C ATOM 1155 CE LYS A 78 2.022 -22.609 -0.429 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.346 -23.168 0.753 1.00 0.00 N ATOM 0 H LYS A 78 1.421 -19.478 -2.023 1.00 0.00 H new ATOM 0 HA LYS A 78 0.706 -17.132 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.328 -18.419 1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.160 -19.172 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.095 -19.907 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.050 -20.630 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.469 -21.160 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.910 -20.888 -1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.825 -23.241 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.100 -22.615 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.484 -24.199 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.747 -22.745 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.329 -22.956 0.704 1.00 0.00 H new ATOM 1170 N GLY A 79 3.905 -17.349 -0.887 1.00 0.00 N ATOM 1171 CA GLY A 79 5.141 -16.591 -0.808 1.00 0.00 C ATOM 1172 C GLY A 79 5.112 -15.341 -1.670 1.00 0.00 C ATOM 1173 O GLY A 79 5.591 -14.290 -1.262 1.00 0.00 O ATOM 0 H GLY A 79 4.009 -18.204 -1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.325 -16.309 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.972 -17.224 -1.119 1.00 0.00 H new ATOM 1177 N ARG A 80 4.602 -15.467 -2.887 1.00 0.00 N ATOM 1178 CA ARG A 80 4.608 -14.454 -3.929 1.00 0.00 C ATOM 1179 C ARG A 80 3.460 -13.469 -3.773 1.00 0.00 C ATOM 1180 O ARG A 80 3.601 -12.335 -4.210 1.00 0.00 O ATOM 1181 CB ARG A 80 4.453 -15.196 -5.252 1.00 0.00 C ATOM 1182 CG ARG A 80 5.629 -16.134 -5.538 1.00 0.00 C ATOM 1183 CD ARG A 80 5.214 -17.103 -6.648 1.00 0.00 C ATOM 1184 NE ARG A 80 6.345 -17.947 -7.039 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.500 -18.655 -8.159 1.00 0.00 C ATOM 1186 NH1 ARG A 80 5.562 -18.709 -9.101 1.00 0.00 N ATOM 1187 NH2 ARG A 80 7.642 -19.304 -8.317 1.00 0.00 N ATOM 0 H ARG A 80 4.147 -16.329 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 80 5.532 -13.878 -3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.528 -15.772 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.364 -14.473 -6.063 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.505 -15.562 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.904 -16.684 -4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.388 -17.727 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.854 -16.544 -7.512 1.00 0.00 H new ATOM 0 HE ARG A 80 7.113 -18.000 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.688 -18.198 -8.980 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.717 -19.262 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.363 -19.251 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.802 -19.857 -9.159 1.00 0.00 H new ATOM 1201 N GLU A 81 2.366 -13.889 -3.135 1.00 0.00 N ATOM 1202 CA GLU A 81 1.151 -13.142 -2.825 1.00 0.00 C ATOM 1203 C GLU A 81 1.436 -11.674 -2.512 1.00 0.00 C ATOM 1204 O GLU A 81 0.940 -10.810 -3.242 1.00 0.00 O ATOM 1205 CB GLU A 81 0.386 -13.860 -1.688 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.981 -14.348 -2.154 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.594 -15.363 -1.189 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -2.222 -14.963 -0.184 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -1.452 -16.583 -1.413 1.00 0.00 O ATOM 0 H GLU A 81 2.305 -14.848 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 81 0.514 -13.124 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.973 -14.706 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.263 -13.180 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.653 -13.496 -2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.886 -14.800 -3.141 1.00 0.00 H new ATOM 1216 N PRO A 82 2.271 -11.366 -1.500 1.00 0.00 N ATOM 1217 CA PRO A 82 2.562 -9.991 -1.181 1.00 0.00 C ATOM 1218 C PRO A 82 3.300 -9.322 -2.339 1.00 0.00 C ATOM 1219 O PRO A 82 2.839 -8.289 -2.807 1.00 0.00 O ATOM 1220 CB PRO A 82 3.346 -10.010 0.136 1.00 0.00 C ATOM 1221 CG PRO A 82 3.916 -11.421 0.226 1.00 0.00 C ATOM 1222 CD PRO A 82 2.916 -12.268 -0.556 1.00 0.00 C ATOM 0 HA PRO A 82 1.662 -9.391 -1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.139 -9.262 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.699 -9.789 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.914 -11.478 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.999 -11.754 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.419 -13.082 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.184 -12.721 0.112 1.00 0.00 H new ATOM 1230 N PHE A 83 4.393 -9.902 -2.851 1.00 0.00 N ATOM 1231 CA PHE A 83 5.215 -9.309 -3.911 1.00 0.00 C ATOM 1232 C PHE A 83 4.433 -8.984 -5.183 1.00 0.00 C ATOM 1233 O PHE A 83 4.774 -8.010 -5.850 1.00 0.00 O ATOM 1234 CB PHE A 83 6.408 -10.202 -4.269 1.00 0.00 C ATOM 1235 CG PHE A 83 7.346 -10.483 -3.121 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.087 -11.544 -2.237 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.483 -9.677 -2.936 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.961 -11.804 -1.168 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.357 -9.948 -1.874 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.108 -11.013 -0.994 1.00 0.00 C ATOM 0 H PHE A 83 4.735 -10.810 -2.535 1.00 0.00 H new ATOM 0 HA PHE A 83 5.572 -8.368 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.033 -11.150 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.971 -9.729 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.213 -12.162 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.682 -8.855 -3.607 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.751 -12.611 -0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.232 -9.331 -1.731 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.795 -11.223 -0.187 1.00 0.00 H new ATOM 1250 N VAL A 84 3.399 -9.754 -5.520 1.00 0.00 N ATOM 1251 CA VAL A 84 2.501 -9.418 -6.617 1.00 0.00 C ATOM 1252 C VAL A 84 1.727 -8.157 -6.253 1.00 0.00 C ATOM 1253 O VAL A 84 1.735 -7.206 -7.035 1.00 0.00 O ATOM 1254 CB VAL A 84 1.595 -10.616 -6.943 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.493 -10.308 -7.965 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.479 -11.730 -7.513 1.00 0.00 C ATOM 0 H VAL A 84 3.164 -10.623 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 84 3.062 -9.205 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 84 1.093 -10.899 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.102 -11.205 -8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.149 -9.516 -7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.946 -9.984 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.863 -12.596 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.975 -11.375 -8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.229 -12.013 -6.774 1.00 0.00 H new ATOM 1266 N ARG A 85 1.096 -8.095 -5.069 1.00 0.00 N ATOM 1267 CA ARG A 85 0.407 -6.879 -4.670 1.00 0.00 C ATOM 1268 C ARG A 85 1.387 -5.703 -4.688 1.00 0.00 C ATOM 1269 O ARG A 85 0.983 -4.639 -5.135 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.237 -7.009 -3.285 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.530 -7.837 -3.274 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.999 -7.966 -1.821 1.00 0.00 C ATOM 1273 NE ARG A 85 -3.421 -8.333 -1.680 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.385 -7.470 -1.324 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.277 -6.170 -1.552 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.471 -7.901 -0.708 1.00 0.00 N ATOM 0 H ARG A 85 1.054 -8.858 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.397 -6.702 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.481 -7.465 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.453 -6.012 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.297 -7.354 -3.880 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.355 -8.822 -3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.389 -8.717 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.826 -7.020 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.687 -9.300 -1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.444 -5.800 -2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.027 -5.539 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.580 -8.894 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.201 -7.241 -0.439 1.00 0.00 H new ATOM 1290 N MET A 86 2.647 -5.868 -4.266 1.00 0.00 N ATOM 1291 CA MET A 86 3.688 -4.855 -4.284 1.00 0.00 C ATOM 1292 C MET A 86 3.966 -4.381 -5.702 1.00 0.00 C ATOM 1293 O MET A 86 3.932 -3.178 -5.946 1.00 0.00 O ATOM 1294 CB MET A 86 4.953 -5.394 -3.600 1.00 0.00 C ATOM 1295 CG MET A 86 4.698 -5.844 -2.155 1.00 0.00 C ATOM 1296 SD MET A 86 6.011 -5.650 -0.946 1.00 0.00 S ATOM 1297 CE MET A 86 6.930 -7.131 -1.352 1.00 0.00 C ATOM 0 H MET A 86 2.975 -6.756 -3.887 1.00 0.00 H new ATOM 0 HA MET A 86 3.346 -3.985 -3.723 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.342 -6.234 -4.175 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.722 -4.621 -3.605 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.828 -5.299 -1.788 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.426 -6.899 -2.181 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.804 -7.206 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.295 -8.005 -1.206 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.252 -7.086 -2.392 1.00 0.00 H new ATOM 1307 N GLN A 87 4.227 -5.296 -6.638 1.00 0.00 N ATOM 1308 CA GLN A 87 4.448 -4.950 -8.037 1.00 0.00 C ATOM 1309 C GLN A 87 3.272 -4.127 -8.588 1.00 0.00 C ATOM 1310 O GLN A 87 3.487 -3.094 -9.226 1.00 0.00 O ATOM 1311 CB GLN A 87 4.682 -6.231 -8.855 1.00 0.00 C ATOM 1312 CG GLN A 87 5.107 -5.966 -10.309 1.00 0.00 C ATOM 1313 CD GLN A 87 6.501 -5.345 -10.439 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.728 -4.181 -10.128 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.486 -6.112 -10.872 1.00 0.00 N ATOM 0 H GLN A 87 4.290 -6.295 -6.444 1.00 0.00 H new ATOM 0 HA GLN A 87 5.338 -4.327 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.450 -6.830 -8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.767 -6.824 -8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.084 -6.905 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.379 -5.303 -10.776 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.301 -7.081 -11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.431 -5.735 -10.946 1.00 0.00 H new ATOM 1324 N LEU A 88 2.030 -4.562 -8.342 1.00 0.00 N ATOM 1325 CA LEU A 88 0.852 -3.847 -8.824 1.00 0.00 C ATOM 1326 C LEU A 88 0.590 -2.565 -8.023 1.00 0.00 C ATOM 1327 O LEU A 88 0.045 -1.620 -8.586 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.408 -4.735 -8.821 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.599 -5.736 -9.980 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.445 -5.086 -11.361 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.296 -6.968 -9.864 1.00 0.00 C ATOM 0 H LEU A 88 1.819 -5.407 -7.811 1.00 0.00 H new ATOM 0 HA LEU A 88 1.071 -3.569 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.415 -5.300 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.278 -4.078 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.631 -6.074 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.590 -5.839 -12.136 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.189 -4.298 -11.477 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.554 -4.659 -11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.113 -7.632 -10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.341 -6.660 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.073 -7.493 -8.935 1.00 0.00 H new ATOM 1343 N TRP A 89 0.978 -2.477 -6.747 1.00 0.00 N ATOM 1344 CA TRP A 89 0.857 -1.260 -5.951 1.00 0.00 C ATOM 1345 C TRP A 89 1.799 -0.218 -6.535 1.00 0.00 C ATOM 1346 O TRP A 89 1.492 0.961 -6.551 1.00 0.00 O ATOM 1347 CB TRP A 89 1.194 -1.536 -4.477 1.00 0.00 C ATOM 1348 CG TRP A 89 1.047 -0.364 -3.557 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.093 0.010 -2.937 1.00 0.00 C ATOM 1350 CD2 TRP A 89 2.052 0.607 -3.138 1.00 0.00 C ATOM 1351 NE1 TRP A 89 0.129 1.144 -2.189 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.438 1.554 -2.265 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.427 0.768 -3.401 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.143 2.619 -1.689 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.157 1.825 -2.818 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.516 2.749 -1.969 1.00 0.00 C ATOM 0 H TRP A 89 1.389 -3.259 -6.236 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.169 -0.894 -5.984 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.552 -2.341 -4.119 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.221 -1.897 -4.418 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.039 -0.505 -3.016 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.590 1.621 -1.645 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.929 0.073 -4.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.643 3.326 -1.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.212 1.927 -3.023 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.080 3.560 -1.532 1.00 0.00 H new ATOM 1367 N LEU A 90 2.947 -0.637 -7.057 1.00 0.00 N ATOM 1368 CA LEU A 90 3.849 0.258 -7.757 1.00 0.00 C ATOM 1369 C LEU A 90 3.328 0.629 -9.150 1.00 0.00 C ATOM 1370 O LEU A 90 3.760 1.644 -9.690 1.00 0.00 O ATOM 1371 CB LEU A 90 5.213 -0.421 -7.860 1.00 0.00 C ATOM 1372 CG LEU A 90 5.938 -0.541 -6.512 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.123 -1.489 -6.732 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.310 0.847 -5.969 1.00 0.00 C ATOM 0 H LEU A 90 3.273 -1.602 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 90 3.927 1.189 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.084 -1.417 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.839 0.142 -8.552 1.00 0.00 H new ATOM 0 HG LEU A 90 5.305 -0.965 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.673 -1.607 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.755 -2.461 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.785 -1.074 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.823 0.738 -5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.967 1.351 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.405 1.438 -5.830 1.00 0.00 H new ATOM 1386 N ASN A 91 2.444 -0.178 -9.744 1.00 0.00 N ATOM 1387 CA ASN A 91 1.830 0.127 -11.037 1.00 0.00 C ATOM 1388 C ASN A 91 0.690 1.135 -10.872 1.00 0.00 C ATOM 1389 O ASN A 91 0.551 2.060 -11.671 1.00 0.00 O ATOM 1390 CB ASN A 91 1.310 -1.156 -11.709 1.00 0.00 C ATOM 1391 CG ASN A 91 0.803 -0.878 -13.120 1.00 0.00 C ATOM 1392 OD1 ASN A 91 1.356 -0.047 -13.830 1.00 0.00 O ATOM 1393 ND2 ASN A 91 -0.211 -1.589 -13.586 1.00 0.00 N ATOM 0 H ASN A 91 2.134 -1.062 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 91 2.594 0.569 -11.676 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.108 -1.898 -11.747 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.506 -1.583 -11.109 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.537 -1.447 -14.542 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.667 -2.279 -12.989 1.00 0.00 H new ATOM 1400 N ASP A 92 -0.132 0.955 -9.839 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.233 1.844 -9.464 1.00 0.00 C ATOM 1402 C ASP A 92 -0.682 3.272 -9.297 1.00 0.00 C ATOM 1403 O ASP A 92 0.342 3.436 -8.641 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.878 1.347 -8.155 1.00 0.00 C ATOM 1405 CG ASP A 92 -2.799 0.134 -8.307 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.208 -0.216 -9.442 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -3.140 -0.489 -7.273 1.00 0.00 O ATOM 0 H ASP A 92 -0.046 0.153 -9.214 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.998 1.846 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.086 1.096 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.449 2.165 -7.716 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.282 4.319 -9.892 1.00 0.00 N ATOM 1413 CA PRO A 93 -0.760 5.681 -9.793 1.00 0.00 C ATOM 1414 C PRO A 93 -1.247 6.386 -8.517 1.00 0.00 C ATOM 1415 O PRO A 93 -0.483 7.057 -7.829 1.00 0.00 O ATOM 1416 CB PRO A 93 -1.251 6.362 -11.071 1.00 0.00 C ATOM 1417 CG PRO A 93 -2.587 5.679 -11.366 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.429 4.275 -10.787 1.00 0.00 C ATOM 0 HA PRO A 93 0.327 5.711 -9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.375 7.436 -10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.545 6.228 -11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.417 6.210 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.790 5.647 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.328 3.975 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.273 3.544 -11.581 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.508 6.184 -8.132 1.00 0.00 N ATOM 1427 CA HIS A 94 -3.068 6.644 -6.860 1.00 0.00 C ATOM 1428 C HIS A 94 -2.695 5.688 -5.718 1.00 0.00 C ATOM 1429 O HIS A 94 -3.458 5.497 -4.769 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.582 6.775 -7.014 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.958 7.828 -8.021 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.023 9.182 -7.789 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.202 7.622 -9.351 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.298 9.783 -8.955 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.419 8.872 -9.938 1.00 0.00 N ATOM 0 H HIS A 94 -3.184 5.684 -8.709 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.650 7.617 -6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.999 5.816 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.024 7.022 -6.049 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.886 9.646 -6.891 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.223 6.667 -9.856 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.407 10.849 -9.087 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.561 5.010 -5.845 1.00 0.00 N ATOM 1444 CA ASN A 95 -1.012 4.074 -4.879 1.00 0.00 C ATOM 1445 C ASN A 95 -0.663 4.783 -3.578 1.00 0.00 C ATOM 1446 O ASN A 95 -1.304 4.525 -2.556 1.00 0.00 O ATOM 1447 CB ASN A 95 0.183 3.327 -5.490 1.00 0.00 C ATOM 1448 CG ASN A 95 1.375 4.165 -5.983 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.279 5.371 -6.189 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.532 3.562 -6.159 1.00 0.00 N ATOM 0 H ASN A 95 -0.970 5.106 -6.671 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.766 3.327 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.554 2.622 -4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.184 2.739 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.345 4.097 -6.465 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.616 2.560 -5.989 1.00 0.00 H new ATOM 1457 N VAL A 96 0.313 5.687 -3.618 1.00 0.00 N ATOM 1458 CA VAL A 96 0.776 6.464 -2.499 1.00 0.00 C ATOM 1459 C VAL A 96 -0.386 7.292 -1.969 1.00 0.00 C ATOM 1460 O VAL A 96 -0.572 7.328 -0.761 1.00 0.00 O ATOM 1461 CB VAL A 96 1.967 7.328 -2.950 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.495 8.096 -1.752 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.136 6.492 -3.491 1.00 0.00 C ATOM 0 H VAL A 96 0.819 5.899 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 96 1.126 5.828 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 96 1.603 7.980 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.340 8.713 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.707 8.734 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.818 7.394 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.947 7.154 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.491 5.816 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.801 5.912 -4.351 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.199 7.887 -2.845 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.357 8.678 -2.439 1.00 0.00 C ATOM 1475 C GLU A 97 -3.281 7.874 -1.528 1.00 0.00 C ATOM 1476 O GLU A 97 -3.521 8.303 -0.400 1.00 0.00 O ATOM 1477 CB GLU A 97 -3.123 9.196 -3.657 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.390 10.376 -4.303 1.00 0.00 C ATOM 1479 CD GLU A 97 -3.174 11.033 -5.441 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -4.381 10.743 -5.618 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -2.559 11.843 -6.168 1.00 0.00 O ATOM 0 H GLU A 97 -1.071 7.832 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.989 9.536 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.241 8.394 -4.385 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.124 9.505 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.178 11.124 -3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.430 10.031 -4.686 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.771 6.707 -1.974 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.628 5.865 -1.138 1.00 0.00 C ATOM 1490 C LYS A 98 -3.910 5.485 0.156 1.00 0.00 C ATOM 1491 O LYS A 98 -4.524 5.528 1.217 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.132 4.620 -1.898 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.551 4.805 -2.471 1.00 0.00 C ATOM 1494 CD LYS A 98 -6.653 5.686 -3.726 1.00 0.00 C ATOM 1495 CE LYS A 98 -6.870 4.890 -5.019 1.00 0.00 C ATOM 1496 NZ LYS A 98 -5.802 3.911 -5.300 1.00 0.00 N ATOM 0 H LYS A 98 -3.588 6.330 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.511 6.447 -0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.443 4.393 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.125 3.762 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.959 3.822 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.183 5.236 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.476 6.390 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.741 6.276 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.824 4.366 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.942 5.585 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.860 3.609 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.875 4.349 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.917 3.084 -4.680 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.609 5.177 0.106 1.00 0.00 N ATOM 1511 CA LEU A 99 -1.845 4.827 1.302 1.00 0.00 C ATOM 1512 C LEU A 99 -1.811 5.994 2.294 1.00 0.00 C ATOM 1513 O LEU A 99 -1.991 5.807 3.496 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.424 4.368 0.918 1.00 0.00 C ATOM 1515 CG LEU A 99 0.429 3.914 2.117 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.205 2.757 2.877 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.788 3.401 1.641 1.00 0.00 C ATOM 0 H LEU A 99 -2.064 5.164 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.343 3.995 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.498 3.547 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.087 5.186 0.410 1.00 0.00 H new ATOM 0 HG LEU A 99 0.518 4.788 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.436 2.475 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.181 3.061 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.325 1.905 2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.379 3.084 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.643 2.555 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.313 4.197 1.114 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.585 7.216 1.818 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.557 8.410 2.628 1.00 0.00 C ATOM 1531 C ARG A 100 -2.951 8.764 3.144 1.00 0.00 C ATOM 1532 O ARG A 100 -3.065 9.415 4.184 1.00 0.00 O ATOM 1533 CB ARG A 100 -0.985 9.544 1.756 1.00 0.00 C ATOM 1534 CG ARG A 100 -0.050 10.392 2.600 1.00 0.00 C ATOM 1535 CD ARG A 100 0.342 11.682 1.878 1.00 0.00 C ATOM 1536 NE ARG A 100 1.257 12.459 2.716 1.00 0.00 N ATOM 1537 CZ ARG A 100 1.641 13.720 2.516 1.00 0.00 C ATOM 1538 NH1 ARG A 100 1.235 14.403 1.453 1.00 0.00 N ATOM 1539 NH2 ARG A 100 2.410 14.288 3.432 1.00 0.00 N ATOM 0 H ARG A 100 -1.413 7.398 0.829 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.933 8.254 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.449 9.129 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.793 10.157 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.533 10.636 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.847 9.820 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.817 11.447 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.548 12.269 1.654 1.00 0.00 H new ATOM 0 HE ARG A 100 1.639 11.988 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.617 13.964 0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.541 15.367 1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.691 13.762 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.722 15.252 3.310 1.00 0.00 H new ATOM 1553 N ASP A 101 -3.996 8.354 2.421 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.400 8.540 2.774 1.00 0.00 C ATOM 1555 C ASP A 101 -5.821 7.628 3.920 1.00 0.00 C ATOM 1556 O ASP A 101 -6.797 7.934 4.606 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.292 8.275 1.538 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.537 9.147 1.495 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -7.443 10.307 1.944 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.538 8.779 0.838 1.00 0.00 O ATOM 0 H ASP A 101 -3.878 7.862 1.535 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.525 9.571 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.707 8.444 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.591 7.227 1.533 1.00 0.00 H new ATOM 1565 N MET A 102 -5.076 6.542 4.166 1.00 0.00 N ATOM 1566 CA MET A 102 -5.200 5.722 5.365 1.00 0.00 C ATOM 1567 C MET A 102 -4.842 6.580 6.583 1.00 0.00 C ATOM 1568 O MET A 102 -5.684 6.849 7.437 1.00 0.00 O ATOM 1569 CB MET A 102 -4.285 4.493 5.309 1.00 0.00 C ATOM 1570 CG MET A 102 -4.493 3.611 4.078 1.00 0.00 C ATOM 1571 SD MET A 102 -6.142 2.874 3.956 1.00 0.00 S ATOM 1572 CE MET A 102 -5.935 1.985 2.406 1.00 0.00 C ATOM 0 H MET A 102 -4.359 6.208 3.522 1.00 0.00 H new ATOM 0 HA MET A 102 -6.226 5.362 5.437 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.247 4.826 5.332 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.447 3.892 6.204 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.307 4.206 3.184 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.751 2.812 4.089 1.00 0.00 H new ATOM 0 HE1 MET A 102 -6.564 1.095 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.223 2.630 1.576 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.892 1.691 2.292 1.00 0.00 H new ATOM 1582 N LYS A 103 -3.576 7.023 6.659 1.00 0.00 N ATOM 1583 CA LYS A 103 -3.050 7.730 7.828 1.00 0.00 C ATOM 1584 C LYS A 103 -3.756 9.067 8.007 1.00 0.00 C ATOM 1585 O LYS A 103 -4.423 9.262 9.023 1.00 0.00 O ATOM 1586 CB LYS A 103 -1.526 7.908 7.683 1.00 0.00 C ATOM 1587 CG LYS A 103 -0.941 8.974 8.635 1.00 0.00 C ATOM 1588 CD LYS A 103 0.567 8.817 8.849 1.00 0.00 C ATOM 1589 CE LYS A 103 0.777 7.599 9.749 1.00 0.00 C ATOM 1590 NZ LYS A 103 2.180 7.383 10.124 1.00 0.00 N ATOM 0 H LYS A 103 -2.894 6.899 5.911 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.242 7.140 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.036 6.953 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.296 8.185 6.654 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -1.144 9.966 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.448 8.912 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.078 8.682 7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.984 9.712 9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.182 7.719 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 103 0.405 6.711 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.251 6.543 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.750 7.238 9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.534 8.215 10.639 1.00 0.00 H new ATOM 1604 N LYS A 104 -3.633 9.919 6.983 1.00 0.00 N ATOM 1605 CA LYS A 104 -4.093 11.296 6.890 1.00 0.00 C ATOM 1606 C LYS A 104 -3.666 12.195 8.067 1.00 0.00 C ATOM 1607 O LYS A 104 -3.175 11.725 9.091 1.00 0.00 O ATOM 1608 CB LYS A 104 -5.596 11.227 6.581 1.00 0.00 C ATOM 1609 CG LYS A 104 -6.153 12.481 5.896 1.00 0.00 C ATOM 1610 CD LYS A 104 -7.062 12.110 4.721 1.00 0.00 C ATOM 1611 CE LYS A 104 -8.242 11.240 5.178 1.00 0.00 C ATOM 1612 NZ LYS A 104 -9.102 10.873 4.041 1.00 0.00 N ATOM 0 H LYS A 104 -3.166 9.629 6.124 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.594 11.825 6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.786 10.363 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.140 11.062 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.712 13.076 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.330 13.101 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.439 13.018 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.484 11.575 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -7.867 10.337 5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.828 11.779 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.530 9.942 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.853 11.584 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.531 10.834 3.173 1.00 0.00 H new ATOM 1626 N LEU A 105 -3.832 13.512 7.896 1.00 0.00 N ATOM 1627 CA LEU A 105 -3.445 14.583 8.821 1.00 0.00 C ATOM 1628 C LEU A 105 -2.037 14.384 9.399 1.00 0.00 C ATOM 1629 O LEU A 105 -1.876 13.844 10.499 1.00 0.00 O ATOM 1630 CB LEU A 105 -4.508 14.753 9.915 1.00 0.00 C ATOM 1631 CG LEU A 105 -5.774 15.499 9.447 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -6.977 14.556 9.389 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -6.093 16.650 10.399 1.00 0.00 C ATOM 0 H LEU A 105 -4.269 13.882 7.052 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.397 15.511 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.794 13.769 10.285 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.069 15.294 10.753 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.578 15.889 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.856 15.108 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.771 13.746 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.163 14.142 10.380 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.989 17.168 10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.262 16.257 11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.256 17.348 10.419 1.00 0.00 H new ATOM 1645 N SER A 106 -1.004 14.828 8.669 1.00 0.00 N ATOM 1646 CA SER A 106 0.362 14.789 9.184 1.00 0.00 C ATOM 1647 C SER A 106 1.320 15.845 8.602 1.00 0.00 C ATOM 1648 O SER A 106 2.330 16.147 9.245 1.00 0.00 O ATOM 1649 CB SER A 106 0.907 13.365 8.995 1.00 0.00 C ATOM 1650 OG SER A 106 2.029 13.128 9.823 1.00 0.00 O ATOM 0 H SER A 106 -1.092 15.214 7.729 1.00 0.00 H new ATOM 0 HA SER A 106 0.311 15.054 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.125 12.641 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.185 13.216 7.952 1.00 0.00 H new ATOM 0 HG SER A 106 2.352 12.214 9.682 1.00 0.00 H new ATOM 1656 N GLY A 107 1.060 16.463 7.446 1.00 0.00 N ATOM 1657 CA GLY A 107 1.951 17.483 6.886 1.00 0.00 C ATOM 1658 C GLY A 107 1.839 17.538 5.362 1.00 0.00 C ATOM 1659 O GLY A 107 2.501 16.734 4.700 1.00 0.00 O ATOM 0 H GLY A 107 0.235 16.273 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.703 18.457 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.981 17.266 7.170 1.00 0.00 H new ATOM 1663 N PRO A 108 1.010 18.423 4.783 1.00 0.00 N ATOM 1664 CA PRO A 108 0.810 18.556 3.347 1.00 0.00 C ATOM 1665 C PRO A 108 1.986 19.333 2.728 1.00 0.00 C ATOM 1666 O PRO A 108 1.876 20.510 2.373 1.00 0.00 O ATOM 1667 CB PRO A 108 -0.544 19.266 3.212 1.00 0.00 C ATOM 1668 CG PRO A 108 -0.567 20.191 4.427 1.00 0.00 C ATOM 1669 CD PRO A 108 0.222 19.420 5.482 1.00 0.00 C ATOM 0 HA PRO A 108 0.789 17.608 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.616 19.824 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -1.374 18.559 3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.106 21.154 4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -1.586 20.393 4.757 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.867 20.092 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.451 18.947 6.197 1.00 0.00 H new ATOM 1677 N SER A 109 3.132 18.670 2.613 1.00 0.00 N ATOM 1678 CA SER A 109 4.281 19.112 1.841 1.00 0.00 C ATOM 1679 C SER A 109 4.206 18.530 0.424 1.00 0.00 C ATOM 1680 O SER A 109 3.512 17.531 0.195 1.00 0.00 O ATOM 1681 CB SER A 109 5.541 18.648 2.586 1.00 0.00 C ATOM 1682 OG SER A 109 5.411 17.307 3.034 1.00 0.00 O ATOM 0 H SER A 109 3.289 17.774 3.075 1.00 0.00 H new ATOM 0 HA SER A 109 4.302 20.197 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.406 18.732 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 109 5.724 19.302 3.438 1.00 0.00 H new ATOM 0 HG SER A 109 6.228 17.038 3.503 1.00 0.00 H new ATOM 1688 N SER A 110 4.972 19.112 -0.500 1.00 0.00 N ATOM 1689 CA SER A 110 5.221 18.591 -1.834 1.00 0.00 C ATOM 1690 C SER A 110 3.953 18.376 -2.681 1.00 0.00 C ATOM 1691 O SER A 110 2.864 18.878 -2.375 1.00 0.00 O ATOM 1692 CB SER A 110 6.158 17.375 -1.714 1.00 0.00 C ATOM 1693 OG SER A 110 6.775 17.093 -2.956 1.00 0.00 O ATOM 0 H SER A 110 5.453 19.995 -0.327 1.00 0.00 H new ATOM 0 HA SER A 110 5.734 19.349 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.920 17.570 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.592 16.506 -1.378 1.00 0.00 H new ATOM 0 HG SER A 110 6.563 16.175 -3.226 1.00 0.00 H new ATOM 1699 N GLY A 111 4.163 17.719 -3.817 1.00 0.00 N ATOM 1700 CA GLY A 111 3.482 17.860 -5.082 1.00 0.00 C ATOM 1701 C GLY A 111 4.637 18.092 -6.030 1.00 0.00 C ATOM 1702 O GLY A 111 4.815 19.246 -6.469 1.00 0.00 O ATOM 0 H GLY A 111 4.889 17.005 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.913 16.968 -5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.782 18.695 -5.079 1.00 0.00 H new TER 1706 GLY A 111