USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 583 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 35 SER OG : rot 180:sc= -0.58 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= -0.0836 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A -1 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 33 ASN : amide:sc= -1.5 K(o=-1.5,f=-7.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.638 K(o=-0.64,f=-4.4!) USER MOD Single : A -2 ILE N :NH3+ 178:sc= -1.9 (180deg=-1.9) USER MOD Single : A 17 LYS NZ :NH3+ -154:sc= 0.256 (180deg=-0.295) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.25 F(o=-2,f=-1.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.571! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 74:sc= 0.589 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.494! USER MOD Single : A 46 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.7!) USER MOD Single : A 48 SER OG : rot -93:sc= 0.317 USER MOD Single : A 50 CYS SG : rot 77:sc= -1.32 USER MOD Single : A 51 SER OG : rot 180:sc= -0.816 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 69 SER OG : rot 47:sc= 0.135 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -8.428 -18.669 -9.023 1.00 0.00 N ATOM 2 CA ILE A -2 -9.175 -17.405 -9.267 1.00 0.00 C ATOM 3 C ILE A -2 -10.674 -17.673 -9.371 1.00 0.00 C ATOM 4 O ILE A -2 -11.303 -17.393 -10.393 1.00 0.00 O ATOM 5 CB ILE A -2 -8.693 -16.667 -10.547 1.00 0.00 C ATOM 6 CG1 ILE A -2 -7.708 -17.520 -11.357 1.00 0.00 C ATOM 7 CG2 ILE A -2 -8.054 -15.335 -10.178 1.00 0.00 C ATOM 8 CD1 ILE A -2 -8.378 -18.590 -12.192 1.00 0.00 C ATOM 0 H1 ILE A -2 -7.408 -18.469 -8.989 1.00 0.00 H new ATOM 0 H2 ILE A -2 -8.730 -19.081 -8.117 1.00 0.00 H new ATOM 0 H3 ILE A -2 -8.623 -19.342 -9.792 1.00 0.00 H new ATOM 0 HA ILE A -2 -8.975 -16.759 -8.412 1.00 0.00 H new ATOM 0 HB ILE A -2 -9.567 -16.485 -11.173 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -7.130 -16.869 -12.012 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -7.002 -17.993 -10.674 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -7.721 -14.828 -11.084 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -8.784 -14.712 -9.661 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -7.199 -15.510 -9.525 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -7.621 -19.153 -12.737 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -8.934 -19.265 -11.541 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -9.063 -18.123 -12.900 1.00 0.00 H new ATOM 22 N SER A -1 -11.246 -18.213 -8.300 1.00 0.00 N ATOM 23 CA SER A -1 -12.672 -18.513 -8.263 1.00 0.00 C ATOM 24 C SER A -1 -13.438 -17.389 -7.574 1.00 0.00 C ATOM 25 O SER A -1 -14.597 -17.125 -7.893 1.00 0.00 O ATOM 26 CB SER A -1 -12.920 -19.839 -7.539 1.00 0.00 C ATOM 27 OG SER A -1 -12.320 -19.839 -6.255 1.00 0.00 O ATOM 0 H SER A -1 -10.743 -18.452 -7.445 1.00 0.00 H new ATOM 0 HA SER A -1 -13.030 -18.601 -9.289 1.00 0.00 H new ATOM 0 HB2 SER A -1 -13.992 -20.009 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A -1 -12.519 -20.661 -8.131 1.00 0.00 H new ATOM 0 HG SER A -1 -12.494 -20.696 -5.813 1.00 0.00 H new ATOM 33 N SER A 2 -12.778 -16.728 -6.627 1.00 0.00 N ATOM 34 CA SER A 2 -13.389 -15.629 -5.893 1.00 0.00 C ATOM 35 C SER A 2 -12.541 -14.363 -6.013 1.00 0.00 C ATOM 36 O SER A 2 -11.414 -14.409 -6.505 1.00 0.00 O ATOM 37 CB SER A 2 -13.562 -16.006 -4.420 1.00 0.00 C ATOM 38 OG SER A 2 -12.742 -17.110 -4.074 1.00 0.00 O ATOM 0 H SER A 2 -11.818 -16.936 -6.351 1.00 0.00 H new ATOM 0 HA SER A 2 -14.370 -15.432 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.311 -15.152 -3.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.606 -16.250 -4.224 1.00 0.00 H new ATOM 0 HG SER A 2 -12.871 -17.329 -3.127 1.00 0.00 H new ATOM 44 N PRO A 3 -13.070 -13.213 -5.558 1.00 0.00 N ATOM 45 CA PRO A 3 -12.345 -11.950 -5.617 1.00 0.00 C ATOM 46 C PRO A 3 -11.263 -11.861 -4.548 1.00 0.00 C ATOM 47 O PRO A 3 -11.539 -11.535 -3.394 1.00 0.00 O ATOM 48 CB PRO A 3 -13.415 -10.888 -5.387 1.00 0.00 C ATOM 49 CG PRO A 3 -14.562 -11.581 -4.734 1.00 0.00 C ATOM 50 CD PRO A 3 -14.401 -13.066 -4.950 1.00 0.00 C ATOM 0 HA PRO A 3 -11.825 -11.831 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -13.036 -10.085 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.721 -10.434 -6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.587 -11.352 -3.669 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.505 -11.235 -5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.469 -13.613 -4.009 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.180 -13.458 -5.604 1.00 0.00 H new ATOM 58 N LYS A 4 -10.029 -12.164 -4.939 1.00 0.00 N ATOM 59 CA LYS A 4 -8.904 -12.130 -4.013 1.00 0.00 C ATOM 60 C LYS A 4 -8.077 -10.861 -4.193 1.00 0.00 C ATOM 61 O LYS A 4 -6.861 -10.872 -4.006 1.00 0.00 O ATOM 62 CB LYS A 4 -8.021 -13.367 -4.211 1.00 0.00 C ATOM 63 CG LYS A 4 -8.170 -14.405 -3.109 1.00 0.00 C ATOM 64 CD LYS A 4 -8.804 -15.690 -3.624 1.00 0.00 C ATOM 65 CE LYS A 4 -7.953 -16.905 -3.296 1.00 0.00 C ATOM 66 NZ LYS A 4 -8.344 -17.524 -2.000 1.00 0.00 N ATOM 0 H LYS A 4 -9.784 -12.436 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.302 -12.132 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.265 -13.828 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.978 -13.054 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.191 -14.628 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.781 -13.996 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.794 -15.809 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.941 -15.622 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.049 -17.642 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.904 -16.613 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.740 -18.349 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.228 -16.830 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.338 -17.826 -2.046 1.00 0.00 H new ATOM 80 N GLN A 5 -8.740 -9.763 -4.546 1.00 0.00 N ATOM 81 CA GLN A 5 -8.051 -8.492 -4.736 1.00 0.00 C ATOM 82 C GLN A 5 -8.307 -7.555 -3.549 1.00 0.00 C ATOM 83 O GLN A 5 -7.626 -7.666 -2.531 1.00 0.00 O ATOM 84 CB GLN A 5 -8.449 -7.834 -6.072 1.00 0.00 C ATOM 85 CG GLN A 5 -9.691 -8.425 -6.735 1.00 0.00 C ATOM 86 CD GLN A 5 -10.983 -7.847 -6.192 1.00 0.00 C ATOM 87 OE1 GLN A 5 -11.260 -7.933 -4.996 1.00 0.00 O ATOM 88 NE2 GLN A 5 -11.780 -7.252 -7.072 1.00 0.00 N ATOM 0 H GLN A 5 -9.747 -9.728 -4.705 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.980 -8.690 -4.781 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.618 -6.771 -5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.611 -7.916 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.643 -8.247 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.694 -9.505 -6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.509 -7.204 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.663 -6.843 -6.766 1.00 0.00 H new ATOM 97 N GLU A 6 -9.283 -6.645 -3.683 1.00 0.00 N ATOM 98 CA GLU A 6 -9.640 -5.687 -2.626 1.00 0.00 C ATOM 99 C GLU A 6 -10.083 -4.366 -3.235 1.00 0.00 C ATOM 100 O GLU A 6 -9.325 -3.718 -3.958 1.00 0.00 O ATOM 101 CB GLU A 6 -8.483 -5.421 -1.654 1.00 0.00 C ATOM 102 CG GLU A 6 -7.201 -4.977 -2.334 1.00 0.00 C ATOM 103 CD GLU A 6 -5.962 -5.409 -1.575 1.00 0.00 C ATOM 104 OE1 GLU A 6 -6.041 -6.404 -0.827 1.00 0.00 O ATOM 105 OE2 GLU A 6 -4.912 -4.750 -1.727 1.00 0.00 O ATOM 0 H GLU A 6 -9.847 -6.552 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.457 -6.139 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.789 -4.656 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.285 -6.328 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.167 -5.389 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.203 -3.891 -2.433 1.00 0.00 H new ATOM 112 N GLU A 7 -11.315 -3.973 -2.936 1.00 0.00 N ATOM 113 CA GLU A 7 -11.868 -2.727 -3.440 1.00 0.00 C ATOM 114 C GLU A 7 -10.955 -1.551 -3.098 1.00 0.00 C ATOM 115 O GLU A 7 -9.816 -1.734 -2.671 1.00 0.00 O ATOM 116 CB GLU A 7 -13.278 -2.477 -2.873 1.00 0.00 C ATOM 117 CG GLU A 7 -13.888 -3.648 -2.111 1.00 0.00 C ATOM 118 CD GLU A 7 -15.316 -3.374 -1.678 1.00 0.00 C ATOM 119 OE1 GLU A 7 -16.180 -3.197 -2.562 1.00 0.00 O ATOM 120 OE2 GLU A 7 -15.567 -3.334 -0.455 1.00 0.00 O ATOM 0 H GLU A 7 -11.952 -4.505 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.940 -2.813 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.237 -1.614 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.942 -2.215 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.866 -4.538 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.280 -3.863 -1.233 1.00 0.00 H new ATOM 127 N TYR A 8 -11.473 -0.342 -3.269 1.00 0.00 N ATOM 128 CA TYR A 8 -10.722 0.877 -2.983 1.00 0.00 C ATOM 129 C TYR A 8 -10.216 0.943 -1.532 1.00 0.00 C ATOM 130 O TYR A 8 -9.573 1.919 -1.147 1.00 0.00 O ATOM 131 CB TYR A 8 -11.595 2.097 -3.293 1.00 0.00 C ATOM 132 CG TYR A 8 -12.737 2.323 -2.318 1.00 0.00 C ATOM 133 CD1 TYR A 8 -13.135 1.335 -1.423 1.00 0.00 C ATOM 134 CD2 TYR A 8 -13.418 3.534 -2.297 1.00 0.00 C ATOM 135 CE1 TYR A 8 -14.174 1.547 -0.540 1.00 0.00 C ATOM 136 CE2 TYR A 8 -14.459 3.753 -1.415 1.00 0.00 C ATOM 137 CZ TYR A 8 -14.833 2.756 -0.540 1.00 0.00 C ATOM 138 OH TYR A 8 -15.870 2.971 0.340 1.00 0.00 O ATOM 0 H TYR A 8 -12.421 -0.177 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 8 -9.838 0.872 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -10.964 2.985 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.008 1.986 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.621 0.385 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.129 4.318 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.469 0.768 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.977 4.701 -1.411 1.00 0.00 H new ATOM 0 HH TYR A 8 -16.226 3.875 0.211 1.00 0.00 H new ATOM 148 N GLU A 9 -10.517 -0.078 -0.727 1.00 0.00 N ATOM 149 CA GLU A 9 -10.090 -0.107 0.674 1.00 0.00 C ATOM 150 C GLU A 9 -8.574 0.114 0.792 1.00 0.00 C ATOM 151 O GLU A 9 -8.100 1.242 0.655 1.00 0.00 O ATOM 152 CB GLU A 9 -10.510 -1.428 1.339 1.00 0.00 C ATOM 153 CG GLU A 9 -10.437 -2.646 0.423 1.00 0.00 C ATOM 154 CD GLU A 9 -10.754 -3.938 1.149 1.00 0.00 C ATOM 155 OE1 GLU A 9 -11.564 -3.904 2.097 1.00 0.00 O ATOM 156 OE2 GLU A 9 -10.190 -4.985 0.768 1.00 0.00 O ATOM 0 H GLU A 9 -11.054 -0.894 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.585 0.710 1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.874 -1.602 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.531 -1.327 1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.135 -2.517 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.439 -2.712 -0.010 1.00 0.00 H new ATOM 163 N VAL A 10 -7.809 -0.955 1.029 1.00 0.00 N ATOM 164 CA VAL A 10 -6.358 -0.839 1.150 1.00 0.00 C ATOM 165 C VAL A 10 -5.757 -0.308 -0.153 1.00 0.00 C ATOM 166 O VAL A 10 -6.452 0.329 -0.945 1.00 0.00 O ATOM 167 CB VAL A 10 -5.715 -2.197 1.502 1.00 0.00 C ATOM 168 CG1 VAL A 10 -6.174 -2.678 2.873 1.00 0.00 C ATOM 169 CG2 VAL A 10 -6.037 -3.229 0.432 1.00 0.00 C ATOM 0 H VAL A 10 -8.169 -1.903 1.140 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.148 -0.138 1.958 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.634 -2.064 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.707 -3.637 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.886 -1.948 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.258 -2.794 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.576 -4.181 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.117 -3.355 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.648 -2.891 -0.528 1.00 0.00 H new ATOM 179 N GLU A 11 -4.466 -0.555 -0.376 1.00 0.00 N ATOM 180 CA GLU A 11 -3.803 -0.082 -1.586 1.00 0.00 C ATOM 181 C GLU A 11 -2.348 -0.538 -1.631 1.00 0.00 C ATOM 182 O GLU A 11 -1.468 0.156 -1.127 1.00 0.00 O ATOM 183 CB GLU A 11 -3.865 1.445 -1.652 1.00 0.00 C ATOM 184 CG GLU A 11 -3.581 2.114 -0.317 1.00 0.00 C ATOM 185 CD GLU A 11 -3.913 3.594 -0.323 1.00 0.00 C ATOM 186 OE1 GLU A 11 -5.104 3.936 -0.167 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.980 4.411 -0.481 1.00 0.00 O ATOM 0 H GLU A 11 -3.864 -1.076 0.262 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.323 -0.507 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.145 1.800 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.853 1.747 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.159 1.619 0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.529 1.983 -0.066 1.00 0.00 H new ATOM 194 N ARG A 12 -2.113 -1.707 -2.243 1.00 0.00 N ATOM 195 CA ARG A 12 -0.765 -2.292 -2.378 1.00 0.00 C ATOM 196 C ARG A 12 0.336 -1.273 -2.069 1.00 0.00 C ATOM 197 O ARG A 12 0.898 -0.655 -2.973 1.00 0.00 O ATOM 198 CB ARG A 12 -0.569 -2.848 -3.798 1.00 0.00 C ATOM 199 CG ARG A 12 -1.823 -3.467 -4.405 1.00 0.00 C ATOM 200 CD ARG A 12 -2.350 -4.622 -3.574 1.00 0.00 C ATOM 201 NE ARG A 12 -3.693 -5.018 -3.989 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.949 -5.698 -5.105 1.00 0.00 C ATOM 203 NH1 ARG A 12 -2.962 -6.058 -5.915 1.00 0.00 N ATOM 204 NH2 ARG A 12 -5.199 -6.016 -5.413 1.00 0.00 N ATOM 0 H ARG A 12 -2.850 -2.276 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.687 -3.100 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.224 -2.043 -4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.220 -3.600 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.596 -2.704 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.602 -3.818 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.675 -5.473 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.363 -4.337 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.478 -4.760 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.999 -5.814 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.166 -6.579 -6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.962 -5.740 -4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.397 -6.537 -6.267 1.00 0.00 H new ATOM 218 N ILE A 13 0.619 -1.095 -0.780 1.00 0.00 N ATOM 219 CA ILE A 13 1.631 -0.141 -0.325 1.00 0.00 C ATOM 220 C ILE A 13 1.086 1.290 -0.345 1.00 0.00 C ATOM 221 O ILE A 13 0.915 1.883 -1.409 1.00 0.00 O ATOM 222 CB ILE A 13 2.914 -0.175 -1.177 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.397 -1.602 -1.441 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.009 0.627 -0.486 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.894 -2.321 -0.207 1.00 0.00 C ATOM 0 H ILE A 13 0.158 -1.603 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 13 1.880 -0.443 0.692 1.00 0.00 H new ATOM 0 HB ILE A 13 2.680 0.271 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.580 -2.176 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.198 -1.573 -2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.915 0.601 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.682 1.660 -0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.214 0.195 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.218 -3.326 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.733 -1.772 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.090 -2.384 0.526 1.00 0.00 H new ATOM 237 N VAL A 14 0.791 1.828 0.835 1.00 0.00 N ATOM 238 CA VAL A 14 0.248 3.186 0.949 1.00 0.00 C ATOM 239 C VAL A 14 1.355 4.228 1.101 1.00 0.00 C ATOM 240 O VAL A 14 1.149 5.403 0.796 1.00 0.00 O ATOM 241 CB VAL A 14 -0.765 3.321 2.122 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.531 2.260 3.160 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.700 4.682 2.794 1.00 0.00 C ATOM 0 H VAL A 14 0.917 1.349 1.727 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.285 3.375 0.017 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.754 3.201 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.252 2.377 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.650 1.276 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.479 2.357 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.427 4.722 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.301 4.842 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.927 5.459 2.064 1.00 0.00 H new ATOM 253 N ASP A 15 2.527 3.810 1.567 1.00 0.00 N ATOM 254 CA ASP A 15 3.636 4.732 1.743 1.00 0.00 C ATOM 255 C ASP A 15 4.931 3.942 1.846 1.00 0.00 C ATOM 256 O ASP A 15 4.898 2.717 1.907 1.00 0.00 O ATOM 257 CB ASP A 15 3.424 5.608 2.977 1.00 0.00 C ATOM 258 CG ASP A 15 4.312 6.838 2.975 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.237 7.622 2.006 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.082 7.016 3.942 1.00 0.00 O ATOM 0 H ASP A 15 2.730 2.845 1.827 1.00 0.00 H new ATOM 0 HA ASP A 15 3.694 5.396 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.380 5.918 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.623 5.021 3.874 1.00 0.00 H new ATOM 265 N GLU A 16 6.070 4.617 1.810 1.00 0.00 N ATOM 266 CA GLU A 16 7.341 3.909 1.855 1.00 0.00 C ATOM 267 C GLU A 16 8.436 4.705 2.557 1.00 0.00 C ATOM 268 O GLU A 16 8.483 5.933 2.498 1.00 0.00 O ATOM 269 CB GLU A 16 7.769 3.541 0.429 1.00 0.00 C ATOM 270 CG GLU A 16 6.989 4.298 -0.631 1.00 0.00 C ATOM 271 CD GLU A 16 7.259 5.793 -0.612 1.00 0.00 C ATOM 272 OE1 GLU A 16 7.229 6.392 0.482 1.00 0.00 O ATOM 273 OE2 GLU A 16 7.500 6.364 -1.696 1.00 0.00 O ATOM 0 H GLU A 16 6.142 5.633 1.751 1.00 0.00 H new ATOM 0 HA GLU A 16 7.195 3.004 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.832 3.748 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.633 2.470 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.243 3.901 -1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.923 4.125 -0.483 1.00 0.00 H new ATOM 280 N LYS A 17 9.322 3.965 3.202 1.00 0.00 N ATOM 281 CA LYS A 17 10.455 4.520 3.921 1.00 0.00 C ATOM 282 C LYS A 17 11.752 3.940 3.388 1.00 0.00 C ATOM 283 O LYS A 17 11.979 2.720 3.452 1.00 0.00 O ATOM 284 CB LYS A 17 10.361 4.223 5.397 1.00 0.00 C ATOM 285 CG LYS A 17 9.845 5.399 6.188 1.00 0.00 C ATOM 286 CD LYS A 17 10.717 5.686 7.392 1.00 0.00 C ATOM 287 CE LYS A 17 10.002 5.363 8.693 1.00 0.00 C ATOM 288 NZ LYS A 17 8.783 6.200 8.885 1.00 0.00 N ATOM 0 H LYS A 17 9.273 2.947 3.241 1.00 0.00 H new ATOM 0 HA LYS A 17 10.441 5.600 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.703 3.368 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.345 3.940 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.806 6.280 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.825 5.198 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.634 5.100 7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.009 6.736 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.723 4.309 8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.684 5.519 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.579 6.289 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.943 7.144 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.975 5.751 8.408 1.00 0.00 H new ATOM 302 N LEU A 18 12.598 4.818 2.888 1.00 0.00 N ATOM 303 CA LEU A 18 13.888 4.424 2.351 1.00 0.00 C ATOM 304 C LEU A 18 15.018 4.913 3.239 1.00 0.00 C ATOM 305 O LEU A 18 14.806 5.699 4.163 1.00 0.00 O ATOM 306 CB LEU A 18 14.083 4.967 0.933 1.00 0.00 C ATOM 307 CG LEU A 18 12.825 5.019 0.067 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.156 5.560 -1.319 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.191 3.640 -0.033 1.00 0.00 C ATOM 0 H LEU A 18 12.414 5.820 2.842 1.00 0.00 H new ATOM 0 HA LEU A 18 13.907 3.335 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.497 5.973 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.826 4.351 0.426 1.00 0.00 H new ATOM 0 HG LEU A 18 12.108 5.692 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.250 5.591 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.566 6.566 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.889 4.911 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.296 3.695 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.901 2.945 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.921 3.291 0.964 1.00 0.00 H new ATOM 321 N ASP A 19 16.219 4.439 2.949 1.00 0.00 N ATOM 322 CA ASP A 19 17.397 4.816 3.713 1.00 0.00 C ATOM 323 C ASP A 19 18.199 5.891 2.973 1.00 0.00 C ATOM 324 O ASP A 19 17.699 6.515 2.037 1.00 0.00 O ATOM 325 CB ASP A 19 18.246 3.572 4.001 1.00 0.00 C ATOM 326 CG ASP A 19 18.792 2.925 2.743 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.935 3.630 1.723 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.078 1.710 2.779 1.00 0.00 O ATOM 0 H ASP A 19 16.404 3.789 2.185 1.00 0.00 H new ATOM 0 HA ASP A 19 17.087 5.244 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.076 3.848 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.643 2.845 4.545 1.00 0.00 H new ATOM 333 N ARG A 20 19.440 6.105 3.397 1.00 0.00 N ATOM 334 CA ARG A 20 20.305 7.111 2.777 1.00 0.00 C ATOM 335 C ARG A 20 20.996 6.572 1.525 1.00 0.00 C ATOM 336 O ARG A 20 21.602 7.327 0.765 1.00 0.00 O ATOM 337 CB ARG A 20 21.348 7.591 3.782 1.00 0.00 C ATOM 338 CG ARG A 20 20.763 7.891 5.150 1.00 0.00 C ATOM 339 CD ARG A 20 19.787 9.052 5.088 1.00 0.00 C ATOM 340 NE ARG A 20 18.890 9.082 6.242 1.00 0.00 N ATOM 341 CZ ARG A 20 17.676 9.630 6.225 1.00 0.00 C ATOM 342 NH1 ARG A 20 17.205 10.190 5.118 1.00 0.00 N ATOM 343 NH2 ARG A 20 16.930 9.617 7.321 1.00 0.00 N ATOM 0 H ARG A 20 19.873 5.596 4.168 1.00 0.00 H new ATOM 0 HA ARG A 20 19.676 7.948 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.123 6.831 3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.831 8.488 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.255 7.006 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.566 8.125 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 20 20.342 9.989 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.198 8.981 4.174 1.00 0.00 H new ATOM 0 HE ARG A 20 19.213 8.658 7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.774 10.203 4.271 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.274 10.607 5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.286 9.188 8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.000 10.036 7.310 1.00 0.00 H new ATOM 357 N ASN A 21 20.908 5.264 1.322 1.00 0.00 N ATOM 358 CA ASN A 21 21.523 4.616 0.183 1.00 0.00 C ATOM 359 C ASN A 21 20.509 4.421 -0.937 1.00 0.00 C ATOM 360 O ASN A 21 20.868 4.096 -2.070 1.00 0.00 O ATOM 361 CB ASN A 21 22.098 3.264 0.604 1.00 0.00 C ATOM 362 CG ASN A 21 22.207 3.098 2.109 1.00 0.00 C ATOM 363 OD1 ASN A 21 21.645 2.011 2.620 1.00 0.00 O flip ATOM 364 ND2 ASN A 21 22.787 3.936 2.799 1.00 0.00 N flip ATOM 0 H ASN A 21 20.408 4.628 1.944 1.00 0.00 H new ATOM 0 HA ASN A 21 22.328 5.252 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.469 2.469 0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.086 3.144 0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.204 4.757 2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.850 3.809 3.809 1.00 0.00 H new ATOM 371 N GLY A 22 19.240 4.611 -0.604 1.00 0.00 N ATOM 372 CA GLY A 22 18.180 4.442 -1.567 1.00 0.00 C ATOM 373 C GLY A 22 17.609 3.041 -1.524 1.00 0.00 C ATOM 374 O GLY A 22 16.948 2.592 -2.461 1.00 0.00 O ATOM 0 H GLY A 22 18.927 4.882 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.388 5.165 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.559 4.651 -2.567 1.00 0.00 H new ATOM 378 N ALA A 23 17.874 2.357 -0.418 1.00 0.00 N ATOM 379 CA ALA A 23 17.405 1.005 -0.205 1.00 0.00 C ATOM 380 C ALA A 23 16.152 1.029 0.651 1.00 0.00 C ATOM 381 O ALA A 23 16.134 1.609 1.736 1.00 0.00 O ATOM 382 CB ALA A 23 18.494 0.174 0.453 1.00 0.00 C ATOM 0 H ALA A 23 18.423 2.731 0.356 1.00 0.00 H new ATOM 0 HA ALA A 23 17.162 0.549 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.132 -0.842 0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.373 0.151 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.759 0.616 1.413 1.00 0.00 H new ATOM 388 N VAL A 24 15.105 0.408 0.149 1.00 0.00 N ATOM 389 CA VAL A 24 13.835 0.370 0.853 1.00 0.00 C ATOM 390 C VAL A 24 13.933 -0.449 2.133 1.00 0.00 C ATOM 391 O VAL A 24 14.142 -1.660 2.093 1.00 0.00 O ATOM 392 CB VAL A 24 12.739 -0.200 -0.051 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.386 -0.123 0.639 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.737 0.551 -1.374 1.00 0.00 C ATOM 0 H VAL A 24 15.106 -0.080 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 24 13.577 1.394 1.125 1.00 0.00 H new ATOM 0 HB VAL A 24 12.940 -1.252 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.619 -0.532 -0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.416 -0.698 1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.152 0.917 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.958 0.147 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.546 1.609 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.706 0.436 -1.859 1.00 0.00 H new ATOM 404 N LYS A 25 13.793 0.226 3.269 1.00 0.00 N ATOM 405 CA LYS A 25 13.883 -0.436 4.562 1.00 0.00 C ATOM 406 C LYS A 25 12.515 -0.841 5.101 1.00 0.00 C ATOM 407 O LYS A 25 12.390 -1.869 5.766 1.00 0.00 O ATOM 408 CB LYS A 25 14.585 0.472 5.579 1.00 0.00 C ATOM 409 CG LYS A 25 16.089 0.568 5.377 1.00 0.00 C ATOM 410 CD LYS A 25 16.832 -0.444 6.236 1.00 0.00 C ATOM 411 CE LYS A 25 17.216 -1.679 5.435 1.00 0.00 C ATOM 412 NZ LYS A 25 18.440 -1.453 4.620 1.00 0.00 N ATOM 0 H LYS A 25 13.617 1.229 3.319 1.00 0.00 H new ATOM 0 HA LYS A 25 14.466 -1.345 4.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.155 1.472 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.385 0.100 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.328 0.400 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.427 1.574 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.729 0.017 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.206 -0.736 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.381 -2.515 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.390 -1.958 4.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.668 -2.318 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.274 -0.672 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.234 -1.211 5.246 1.00 0.00 H new ATOM 426 N LEU A 26 11.493 -0.026 4.852 1.00 0.00 N ATOM 427 CA LEU A 26 10.159 -0.332 5.375 1.00 0.00 C ATOM 428 C LEU A 26 9.060 0.257 4.506 1.00 0.00 C ATOM 429 O LEU A 26 9.303 1.198 3.776 1.00 0.00 O ATOM 430 CB LEU A 26 10.045 0.257 6.783 1.00 0.00 C ATOM 431 CG LEU A 26 10.174 -0.742 7.931 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.848 -0.085 9.125 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.808 -1.286 8.318 1.00 0.00 C ATOM 0 H LEU A 26 11.556 0.832 4.305 1.00 0.00 H new ATOM 0 HA LEU A 26 10.034 -1.415 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.815 1.020 6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.082 0.760 6.870 1.00 0.00 H new ATOM 0 HG LEU A 26 10.792 -1.577 7.601 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.934 -0.807 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.842 0.259 8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.252 0.765 9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.918 -1.996 9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.165 -0.464 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.360 -1.788 7.460 1.00 0.00 H new ATOM 445 N TYR A 27 7.846 -0.291 4.585 1.00 0.00 N ATOM 446 CA TYR A 27 6.713 0.215 3.811 1.00 0.00 C ATOM 447 C TYR A 27 5.528 0.417 4.741 1.00 0.00 C ATOM 448 O TYR A 27 5.331 -0.345 5.688 1.00 0.00 O ATOM 449 CB TYR A 27 6.265 -0.760 2.712 1.00 0.00 C ATOM 450 CG TYR A 27 7.241 -0.953 1.581 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.436 0.039 0.641 1.00 0.00 C ATOM 452 CD2 TYR A 27 7.945 -2.134 1.446 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.307 -0.136 -0.411 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.823 -2.330 0.402 1.00 0.00 C ATOM 455 CZ TYR A 27 9.000 -1.326 -0.529 1.00 0.00 C ATOM 456 OH TYR A 27 9.873 -1.509 -1.579 1.00 0.00 O ATOM 0 H TYR A 27 7.623 -1.089 5.180 1.00 0.00 H new ATOM 0 HA TYR A 27 7.038 1.145 3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.068 -1.730 3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.321 -0.405 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.895 0.969 0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.804 -2.920 2.174 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.448 0.650 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.367 -3.259 0.313 1.00 0.00 H new ATOM 0 HH TYR A 27 10.280 -2.398 -1.515 1.00 0.00 H new ATOM 466 N ARG A 28 4.735 1.428 4.457 1.00 0.00 N ATOM 467 CA ARG A 28 3.559 1.721 5.251 1.00 0.00 C ATOM 468 C ARG A 28 2.322 1.172 4.583 1.00 0.00 C ATOM 469 O ARG A 28 2.049 1.508 3.420 1.00 0.00 O ATOM 470 CB ARG A 28 3.388 3.224 5.417 1.00 0.00 C ATOM 471 CG ARG A 28 2.191 3.617 6.255 1.00 0.00 C ATOM 472 CD ARG A 28 2.105 5.124 6.383 1.00 0.00 C ATOM 473 NE ARG A 28 1.124 5.709 5.470 1.00 0.00 N ATOM 474 CZ ARG A 28 1.193 6.958 5.008 1.00 0.00 C ATOM 475 NH1 ARG A 28 2.191 7.757 5.372 1.00 0.00 N ATOM 476 NH2 ARG A 28 0.259 7.414 4.184 1.00 0.00 N ATOM 0 H ARG A 28 4.885 2.066 3.676 1.00 0.00 H new ATOM 0 HA ARG A 28 3.692 1.254 6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.289 3.634 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.294 3.680 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.279 3.232 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.268 3.166 7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.842 5.384 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.085 5.559 6.185 1.00 0.00 H new ATOM 0 HE ARG A 28 0.342 5.128 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.911 7.416 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.237 8.711 5.014 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.513 6.809 3.903 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.313 8.370 3.831 1.00 0.00 H new ATOM 490 N ILE A 29 1.586 0.330 5.324 1.00 0.00 N ATOM 491 CA ILE A 29 0.356 -0.285 4.822 1.00 0.00 C ATOM 492 C ILE A 29 -0.850 0.181 5.635 1.00 0.00 C ATOM 493 O ILE A 29 -0.834 0.132 6.866 1.00 0.00 O ATOM 494 CB ILE A 29 0.416 -1.828 4.886 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.706 -2.335 4.211 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.844 -2.435 4.261 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.495 -3.209 2.993 1.00 0.00 C ATOM 0 H ILE A 29 1.826 0.061 6.278 1.00 0.00 H new ATOM 0 HA ILE A 29 0.255 0.025 3.782 1.00 0.00 H new ATOM 0 HB ILE A 29 0.445 -2.149 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.308 -1.474 3.921 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.285 -2.896 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.788 -3.522 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.723 -2.090 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.919 -2.125 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.462 -3.514 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.924 -4.094 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.947 -2.650 2.234 1.00 0.00 H new ATOM 509 N ARG A 30 -1.902 0.593 4.940 1.00 0.00 N ATOM 510 CA ARG A 30 -3.126 1.046 5.586 1.00 0.00 C ATOM 511 C ARG A 30 -4.306 0.228 5.093 1.00 0.00 C ATOM 512 O ARG A 30 -4.247 -0.366 4.016 1.00 0.00 O ATOM 513 CB ARG A 30 -3.375 2.530 5.305 1.00 0.00 C ATOM 514 CG ARG A 30 -2.735 3.460 6.324 1.00 0.00 C ATOM 515 CD ARG A 30 -2.598 4.873 5.779 1.00 0.00 C ATOM 516 NE ARG A 30 -2.957 5.886 6.769 1.00 0.00 N ATOM 517 CZ ARG A 30 -2.104 6.392 7.658 1.00 0.00 C ATOM 518 NH1 ARG A 30 -0.850 5.958 7.710 1.00 0.00 N ATOM 519 NH2 ARG A 30 -2.507 7.331 8.502 1.00 0.00 N ATOM 0 H ARG A 30 -1.931 0.623 3.921 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.014 0.911 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.992 2.772 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.450 2.712 5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.337 3.476 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.752 3.078 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.571 5.036 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.234 4.985 4.901 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.919 6.226 6.780 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.534 5.232 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.202 6.350 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.470 7.666 8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.854 7.719 9.183 1.00 0.00 H new ATOM 533 N TRP A 31 -5.380 0.202 5.874 1.00 0.00 N ATOM 534 CA TRP A 31 -6.570 -0.542 5.485 1.00 0.00 C ATOM 535 C TRP A 31 -7.827 0.270 5.773 1.00 0.00 C ATOM 536 O TRP A 31 -8.603 0.571 4.865 1.00 0.00 O ATOM 537 CB TRP A 31 -6.638 -1.902 6.180 1.00 0.00 C ATOM 538 CG TRP A 31 -5.292 -2.459 6.517 1.00 0.00 C ATOM 539 CD1 TRP A 31 -4.345 -1.833 7.245 1.00 0.00 C ATOM 540 CD2 TRP A 31 -4.735 -3.721 6.125 1.00 0.00 C ATOM 541 NE1 TRP A 31 -3.234 -2.631 7.383 1.00 0.00 N ATOM 542 CE2 TRP A 31 -3.446 -3.798 6.697 1.00 0.00 C ATOM 543 CE3 TRP A 31 -5.199 -4.796 5.363 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -2.619 -4.907 6.526 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -4.377 -5.894 5.191 1.00 0.00 C ATOM 546 CH2 TRP A 31 -3.100 -5.943 5.771 1.00 0.00 C ATOM 0 H TRP A 31 -5.451 0.682 6.771 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.508 -0.724 4.412 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.224 -1.807 7.094 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.165 -2.606 5.536 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.445 -0.842 7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.392 -2.394 7.908 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -6.182 -4.770 4.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.636 -4.948 6.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.724 -6.729 4.600 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.484 -6.817 5.619 1.00 0.00 H new ATOM 557 N LEU A 32 -8.005 0.649 7.035 1.00 0.00 N ATOM 558 CA LEU A 32 -9.150 1.457 7.442 1.00 0.00 C ATOM 559 C LEU A 32 -10.470 0.708 7.276 1.00 0.00 C ATOM 560 O LEU A 32 -11.087 0.292 8.257 1.00 0.00 O ATOM 561 CB LEU A 32 -9.176 2.761 6.634 1.00 0.00 C ATOM 562 CG LEU A 32 -10.339 3.712 6.932 1.00 0.00 C ATOM 563 CD1 LEU A 32 -11.617 3.237 6.261 1.00 0.00 C ATOM 564 CD2 LEU A 32 -10.543 3.871 8.432 1.00 0.00 C ATOM 0 H LEU A 32 -7.369 0.409 7.795 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.038 1.682 8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.242 3.294 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.202 2.508 5.574 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.085 4.689 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.427 3.930 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.468 3.195 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.874 2.244 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.375 4.551 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.764 2.900 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.636 4.276 8.882 1.00 0.00 H new ATOM 576 N ASN A 33 -10.905 0.553 6.031 1.00 0.00 N ATOM 577 CA ASN A 33 -12.163 -0.131 5.729 1.00 0.00 C ATOM 578 C ASN A 33 -12.237 -1.526 6.351 1.00 0.00 C ATOM 579 O ASN A 33 -13.290 -1.932 6.840 1.00 0.00 O ATOM 580 CB ASN A 33 -12.358 -0.241 4.214 1.00 0.00 C ATOM 581 CG ASN A 33 -13.143 0.912 3.643 1.00 0.00 C ATOM 582 OD1 ASN A 33 -12.935 2.069 4.003 1.00 0.00 O ATOM 583 ND2 ASN A 33 -14.058 0.590 2.744 1.00 0.00 N ATOM 0 H ASN A 33 -10.405 0.892 5.209 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.959 0.471 6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.383 -0.287 3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.872 -1.174 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.630 1.318 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.192 -0.386 2.479 1.00 0.00 H new ATOM 590 N TYR A 34 -11.131 -2.267 6.307 1.00 0.00 N ATOM 591 CA TYR A 34 -11.101 -3.629 6.850 1.00 0.00 C ATOM 592 C TYR A 34 -11.782 -3.715 8.209 1.00 0.00 C ATOM 593 O TYR A 34 -12.526 -4.658 8.481 1.00 0.00 O ATOM 594 CB TYR A 34 -9.665 -4.139 6.983 1.00 0.00 C ATOM 595 CG TYR A 34 -9.136 -4.791 5.722 1.00 0.00 C ATOM 596 CD1 TYR A 34 -9.140 -4.117 4.507 1.00 0.00 C ATOM 597 CD2 TYR A 34 -8.651 -6.094 5.746 1.00 0.00 C ATOM 598 CE1 TYR A 34 -8.675 -4.721 3.354 1.00 0.00 C ATOM 599 CE2 TYR A 34 -8.181 -6.703 4.599 1.00 0.00 C ATOM 600 CZ TYR A 34 -8.197 -6.014 3.405 1.00 0.00 C ATOM 601 OH TYR A 34 -7.733 -6.618 2.259 1.00 0.00 O ATOM 0 H TYR A 34 -10.248 -1.952 5.904 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.647 -4.254 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.015 -3.306 7.252 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.617 -4.857 7.801 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.513 -3.104 4.463 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.642 -6.639 6.678 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.686 -4.183 2.418 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.803 -7.714 4.637 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.431 -7.527 2.467 1.00 0.00 H new ATOM 611 N SER A 35 -11.507 -2.744 9.070 1.00 0.00 N ATOM 612 CA SER A 35 -12.081 -2.742 10.406 1.00 0.00 C ATOM 613 C SER A 35 -12.171 -1.324 10.975 1.00 0.00 C ATOM 614 O SER A 35 -13.195 -0.655 10.834 1.00 0.00 O ATOM 615 CB SER A 35 -11.237 -3.645 11.309 1.00 0.00 C ATOM 616 OG SER A 35 -11.205 -3.170 12.645 1.00 0.00 O ATOM 0 H SER A 35 -10.894 -1.954 8.868 1.00 0.00 H new ATOM 0 HA SER A 35 -13.100 -3.127 10.357 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.642 -4.657 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.221 -3.702 10.919 1.00 0.00 H new ATOM 0 HG SER A 35 -10.659 -3.771 13.193 1.00 0.00 H new ATOM 622 N SER A 36 -11.098 -0.872 11.616 1.00 0.00 N ATOM 623 CA SER A 36 -11.060 0.460 12.208 1.00 0.00 C ATOM 624 C SER A 36 -9.645 1.024 12.152 1.00 0.00 C ATOM 625 O SER A 36 -8.812 0.530 11.396 1.00 0.00 O ATOM 626 CB SER A 36 -11.551 0.405 13.658 1.00 0.00 C ATOM 627 OG SER A 36 -12.518 -0.616 13.830 1.00 0.00 O ATOM 0 H SER A 36 -10.241 -1.411 11.739 1.00 0.00 H new ATOM 0 HA SER A 36 -11.718 1.116 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.707 0.227 14.325 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.980 1.367 13.937 1.00 0.00 H new ATOM 0 HG SER A 36 -12.814 -0.632 14.764 1.00 0.00 H new ATOM 633 N ARG A 37 -9.376 2.051 12.959 1.00 0.00 N ATOM 634 CA ARG A 37 -8.046 2.672 12.998 1.00 0.00 C ATOM 635 C ARG A 37 -6.956 1.603 13.073 1.00 0.00 C ATOM 636 O ARG A 37 -6.528 1.218 14.162 1.00 0.00 O ATOM 637 CB ARG A 37 -7.893 3.639 14.189 1.00 0.00 C ATOM 638 CG ARG A 37 -9.192 4.029 14.882 1.00 0.00 C ATOM 639 CD ARG A 37 -10.022 4.971 14.026 1.00 0.00 C ATOM 640 NE ARG A 37 -10.700 5.983 14.835 1.00 0.00 N ATOM 641 CZ ARG A 37 -11.049 7.187 14.383 1.00 0.00 C ATOM 642 NH1 ARG A 37 -10.804 7.531 13.125 1.00 0.00 N ATOM 643 NH2 ARG A 37 -11.650 8.047 15.193 1.00 0.00 N ATOM 0 H ARG A 37 -10.056 2.471 13.593 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.938 3.245 12.077 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.231 3.181 14.924 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.401 4.546 13.838 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.771 3.132 15.103 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.967 4.506 15.836 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.378 5.461 13.295 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.761 4.398 13.466 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.919 5.753 15.804 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.345 6.872 12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.074 8.455 12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.844 7.787 16.160 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.918 8.969 14.849 1.00 0.00 H new ATOM 657 N SER A 38 -6.523 1.118 11.913 1.00 0.00 N ATOM 658 CA SER A 38 -5.495 0.087 11.854 1.00 0.00 C ATOM 659 C SER A 38 -4.523 0.333 10.704 1.00 0.00 C ATOM 660 O SER A 38 -4.851 0.124 9.539 1.00 0.00 O ATOM 661 CB SER A 38 -6.142 -1.292 11.699 1.00 0.00 C ATOM 662 OG SER A 38 -7.175 -1.481 12.651 1.00 0.00 O ATOM 0 H SER A 38 -6.868 1.423 11.003 1.00 0.00 H new ATOM 0 HA SER A 38 -4.933 0.124 12.787 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.547 -1.396 10.693 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.386 -2.068 11.820 1.00 0.00 H new ATOM 0 HG SER A 38 -7.956 -0.946 12.397 1.00 0.00 H new ATOM 668 N ASP A 39 -3.319 0.768 11.052 1.00 0.00 N ATOM 669 CA ASP A 39 -2.271 1.040 10.072 1.00 0.00 C ATOM 670 C ASP A 39 -0.913 0.871 10.740 1.00 0.00 C ATOM 671 O ASP A 39 -0.729 1.301 11.879 1.00 0.00 O ATOM 672 CB ASP A 39 -2.418 2.461 9.512 1.00 0.00 C ATOM 673 CG ASP A 39 -2.225 3.530 10.573 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.118 3.604 11.146 1.00 0.00 O ATOM 675 OD2 ASP A 39 -3.182 4.291 10.829 1.00 0.00 O ATOM 0 H ASP A 39 -3.040 0.942 12.018 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.358 0.339 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.690 2.610 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.406 2.571 9.066 1.00 0.00 H new ATOM 680 N THR A 40 0.045 0.254 10.052 1.00 0.00 N ATOM 681 CA THR A 40 1.362 0.052 10.632 1.00 0.00 C ATOM 682 C THR A 40 2.435 -0.037 9.549 1.00 0.00 C ATOM 683 O THR A 40 2.160 0.136 8.354 1.00 0.00 O ATOM 684 CB THR A 40 1.375 -1.217 11.486 1.00 0.00 C ATOM 685 OG1 THR A 40 2.698 -1.637 11.765 1.00 0.00 O ATOM 686 CG2 THR A 40 0.655 -2.373 10.834 1.00 0.00 C ATOM 0 H THR A 40 -0.067 -0.109 9.105 1.00 0.00 H new ATOM 0 HA THR A 40 1.586 0.912 11.263 1.00 0.00 H new ATOM 0 HB THR A 40 0.855 -0.947 12.405 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.675 -2.449 12.313 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.699 -3.244 11.488 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.386 -2.102 10.660 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.132 -2.609 9.883 1.00 0.00 H new ATOM 694 N TRP A 41 3.659 -0.313 9.982 1.00 0.00 N ATOM 695 CA TRP A 41 4.785 -0.434 9.087 1.00 0.00 C ATOM 696 C TRP A 41 5.239 -1.888 9.001 1.00 0.00 C ATOM 697 O TRP A 41 5.125 -2.654 9.959 1.00 0.00 O ATOM 698 CB TRP A 41 5.924 0.472 9.557 1.00 0.00 C ATOM 699 CG TRP A 41 5.607 1.929 9.395 1.00 0.00 C ATOM 700 CD1 TRP A 41 4.874 2.714 10.244 1.00 0.00 C ATOM 701 CD2 TRP A 41 5.998 2.771 8.307 1.00 0.00 C ATOM 702 NE1 TRP A 41 4.792 3.995 9.745 1.00 0.00 N ATOM 703 CE2 TRP A 41 5.473 4.052 8.559 1.00 0.00 C ATOM 704 CE3 TRP A 41 6.743 2.566 7.142 1.00 0.00 C ATOM 705 CZ2 TRP A 41 5.671 5.123 7.690 1.00 0.00 C ATOM 706 CZ3 TRP A 41 6.936 3.629 6.280 1.00 0.00 C ATOM 707 CH2 TRP A 41 6.402 4.894 6.558 1.00 0.00 C ATOM 0 H TRP A 41 3.891 -0.458 10.965 1.00 0.00 H new ATOM 0 HA TRP A 41 4.484 -0.117 8.088 1.00 0.00 H new ATOM 0 HB2 TRP A 41 6.139 0.265 10.605 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.827 0.236 8.994 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.427 2.379 11.168 1.00 0.00 H new ATOM 0 HE1 TRP A 41 4.304 4.774 10.187 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.160 1.595 6.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 5.261 6.099 7.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.509 3.482 5.376 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.571 5.704 5.864 1.00 0.00 H new ATOM 718 N GLU A 42 5.737 -2.250 7.838 1.00 0.00 N ATOM 719 CA GLU A 42 6.194 -3.590 7.565 1.00 0.00 C ATOM 720 C GLU A 42 7.371 -3.546 6.604 1.00 0.00 C ATOM 721 O GLU A 42 7.292 -2.889 5.578 1.00 0.00 O ATOM 722 CB GLU A 42 5.066 -4.392 6.923 1.00 0.00 C ATOM 723 CG GLU A 42 3.694 -3.736 7.007 1.00 0.00 C ATOM 724 CD GLU A 42 3.017 -3.942 8.347 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.758 -5.110 8.705 1.00 0.00 O ATOM 726 OE2 GLU A 42 2.736 -2.936 9.034 1.00 0.00 O ATOM 0 H GLU A 42 5.836 -1.612 7.048 1.00 0.00 H new ATOM 0 HA GLU A 42 6.499 -4.059 8.501 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.310 -4.561 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.016 -5.371 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.797 -2.667 6.819 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.057 -4.138 6.219 1.00 0.00 H new ATOM 733 N PRO A 43 8.468 -4.264 6.881 1.00 0.00 N ATOM 734 CA PRO A 43 9.605 -4.271 5.973 1.00 0.00 C ATOM 735 C PRO A 43 9.165 -4.592 4.545 1.00 0.00 C ATOM 736 O PRO A 43 8.021 -4.981 4.315 1.00 0.00 O ATOM 737 CB PRO A 43 10.538 -5.355 6.509 1.00 0.00 C ATOM 738 CG PRO A 43 9.940 -5.874 7.779 1.00 0.00 C ATOM 739 CD PRO A 43 8.661 -5.128 8.049 1.00 0.00 C ATOM 0 HA PRO A 43 10.093 -3.297 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.650 -6.159 5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.533 -4.949 6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.744 -6.943 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.637 -5.742 8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.823 -5.814 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.733 -4.542 8.965 1.00 0.00 H new ATOM 747 N PRO A 44 10.084 -4.511 3.576 1.00 0.00 N ATOM 748 CA PRO A 44 9.797 -4.820 2.173 1.00 0.00 C ATOM 749 C PRO A 44 9.927 -6.297 1.893 1.00 0.00 C ATOM 750 O PRO A 44 9.202 -6.873 1.081 1.00 0.00 O ATOM 751 CB PRO A 44 10.891 -4.036 1.481 1.00 0.00 C ATOM 752 CG PRO A 44 12.049 -4.217 2.345 1.00 0.00 C ATOM 753 CD PRO A 44 11.511 -4.181 3.761 1.00 0.00 C ATOM 0 HA PRO A 44 8.785 -4.568 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.079 -4.414 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.627 -2.983 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.547 -5.164 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.784 -3.429 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.014 -4.904 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.644 -3.201 4.220 1.00 0.00 H new ATOM 761 N GLU A 45 10.870 -6.889 2.587 1.00 0.00 N ATOM 762 CA GLU A 45 11.138 -8.317 2.476 1.00 0.00 C ATOM 763 C GLU A 45 9.908 -9.108 2.917 1.00 0.00 C ATOM 764 O GLU A 45 9.648 -10.203 2.418 1.00 0.00 O ATOM 765 CB GLU A 45 12.351 -8.706 3.325 1.00 0.00 C ATOM 766 CG GLU A 45 13.660 -8.703 2.550 1.00 0.00 C ATOM 767 CD GLU A 45 14.735 -9.543 3.212 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.384 -10.432 4.016 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.928 -9.313 2.926 1.00 0.00 O ATOM 0 H GLU A 45 11.477 -6.401 3.246 1.00 0.00 H new ATOM 0 HA GLU A 45 11.361 -8.552 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.433 -8.016 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.188 -9.699 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.481 -9.078 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.016 -7.678 2.450 1.00 0.00 H new ATOM 776 N ASN A 46 9.138 -8.528 3.840 1.00 0.00 N ATOM 777 CA ASN A 46 7.922 -9.156 4.323 1.00 0.00 C ATOM 778 C ASN A 46 6.943 -9.296 3.169 1.00 0.00 C ATOM 779 O ASN A 46 6.324 -10.344 2.977 1.00 0.00 O ATOM 780 CB ASN A 46 7.299 -8.305 5.425 1.00 0.00 C ATOM 781 CG ASN A 46 7.795 -8.665 6.810 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.633 -9.551 6.975 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.269 -7.972 7.814 1.00 0.00 N ATOM 0 H ASN A 46 9.342 -7.623 4.264 1.00 0.00 H new ATOM 0 HA ASN A 46 8.157 -10.140 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.516 -7.255 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.215 -8.418 5.394 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.557 -8.165 8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.577 -7.247 7.626 1.00 0.00 H new ATOM 790 N LEU A 47 6.804 -8.210 2.412 1.00 0.00 N ATOM 791 CA LEU A 47 5.901 -8.183 1.268 1.00 0.00 C ATOM 792 C LEU A 47 6.162 -9.348 0.318 1.00 0.00 C ATOM 793 O LEU A 47 5.328 -9.634 -0.540 1.00 0.00 O ATOM 794 CB LEU A 47 6.006 -6.869 0.490 1.00 0.00 C ATOM 795 CG LEU A 47 6.442 -5.644 1.288 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.400 -4.412 0.407 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.565 -5.447 2.510 1.00 0.00 C ATOM 0 H LEU A 47 7.307 -7.337 2.572 1.00 0.00 H new ATOM 0 HA LEU A 47 4.893 -8.273 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.710 -7.012 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.035 -6.658 0.042 1.00 0.00 H new ATOM 0 HG LEU A 47 7.464 -5.805 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.713 -3.541 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.073 -4.547 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.384 -4.260 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.899 -4.567 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.530 -5.308 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.635 -6.324 3.153 1.00 0.00 H new ATOM 809 N SER A 48 7.289 -10.057 0.495 1.00 0.00 N ATOM 810 CA SER A 48 7.586 -11.218 -0.345 1.00 0.00 C ATOM 811 C SER A 48 6.286 -11.979 -0.562 1.00 0.00 C ATOM 812 O SER A 48 5.366 -11.851 0.249 1.00 0.00 O ATOM 813 CB SER A 48 8.640 -12.109 0.320 1.00 0.00 C ATOM 814 OG SER A 48 8.198 -12.569 1.586 1.00 0.00 O ATOM 0 H SER A 48 7.995 -9.848 1.201 1.00 0.00 H new ATOM 0 HA SER A 48 7.995 -10.899 -1.304 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.858 -12.961 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.570 -11.552 0.437 1.00 0.00 H new ATOM 0 HG SER A 48 8.518 -11.961 2.285 1.00 0.00 H new ATOM 820 N GLY A 49 6.159 -12.758 -1.626 1.00 0.00 N ATOM 821 CA GLY A 49 4.912 -13.452 -1.835 1.00 0.00 C ATOM 822 C GLY A 49 3.843 -12.552 -2.442 1.00 0.00 C ATOM 823 O GLY A 49 2.949 -13.037 -3.136 1.00 0.00 O ATOM 0 H GLY A 49 6.879 -12.918 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.080 -14.306 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.554 -13.846 -0.884 1.00 0.00 H new ATOM 827 N CYS A 50 3.910 -11.242 -2.161 1.00 0.00 N ATOM 828 CA CYS A 50 2.922 -10.308 -2.673 1.00 0.00 C ATOM 829 C CYS A 50 2.752 -10.436 -4.175 1.00 0.00 C ATOM 830 O CYS A 50 1.713 -10.894 -4.650 1.00 0.00 O ATOM 831 CB CYS A 50 3.330 -8.878 -2.324 1.00 0.00 C ATOM 832 SG CYS A 50 2.771 -8.324 -0.695 1.00 0.00 S ATOM 0 H CYS A 50 4.637 -10.817 -1.585 1.00 0.00 H new ATOM 0 HA CYS A 50 1.967 -10.547 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.416 -8.801 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.931 -8.203 -3.081 1.00 0.00 H new ATOM 0 HG CYS A 50 3.531 -8.842 0.224 1.00 0.00 H new ATOM 838 N SER A 51 3.753 -10.010 -4.930 1.00 0.00 N ATOM 839 CA SER A 51 3.731 -10.046 -6.387 1.00 0.00 C ATOM 840 C SER A 51 2.803 -8.983 -6.966 1.00 0.00 C ATOM 841 O SER A 51 3.263 -8.048 -7.633 1.00 0.00 O ATOM 842 CB SER A 51 3.326 -11.433 -6.894 1.00 0.00 C ATOM 843 OG SER A 51 3.528 -12.422 -5.900 1.00 0.00 O ATOM 0 H SER A 51 4.615 -9.624 -4.545 1.00 0.00 H new ATOM 0 HA SER A 51 4.743 -9.829 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.278 -11.422 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.907 -11.682 -7.782 1.00 0.00 H new ATOM 0 HG SER A 51 3.260 -13.297 -6.250 1.00 0.00 H new ATOM 849 N ALA A 52 1.510 -9.096 -6.702 1.00 0.00 N ATOM 850 CA ALA A 52 0.561 -8.117 -7.209 1.00 0.00 C ATOM 851 C ALA A 52 0.717 -6.802 -6.474 1.00 0.00 C ATOM 852 O ALA A 52 0.802 -5.736 -7.086 1.00 0.00 O ATOM 853 CB ALA A 52 -0.864 -8.634 -7.078 1.00 0.00 C ATOM 0 H ALA A 52 1.098 -9.846 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 52 0.769 -7.951 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.559 -7.887 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.970 -9.557 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.085 -8.829 -6.029 1.00 0.00 H new ATOM 859 N VAL A 53 0.743 -6.888 -5.155 1.00 0.00 N ATOM 860 CA VAL A 53 0.876 -5.714 -4.313 1.00 0.00 C ATOM 861 C VAL A 53 2.117 -4.902 -4.677 1.00 0.00 C ATOM 862 O VAL A 53 2.035 -3.689 -4.945 1.00 0.00 O ATOM 863 CB VAL A 53 0.951 -6.123 -2.823 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.097 -4.914 -1.911 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.265 -6.952 -2.433 1.00 0.00 C ATOM 0 H VAL A 53 0.673 -7.767 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.005 -5.094 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 53 1.844 -6.735 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.146 -5.245 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.010 -4.376 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.239 -4.254 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.194 -7.230 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.171 -6.367 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.302 -7.853 -3.045 1.00 0.00 H new ATOM 875 N LEU A 54 3.267 -5.565 -4.715 1.00 0.00 N ATOM 876 CA LEU A 54 4.496 -4.884 -5.067 1.00 0.00 C ATOM 877 C LEU A 54 4.373 -4.300 -6.451 1.00 0.00 C ATOM 878 O LEU A 54 4.803 -3.186 -6.696 1.00 0.00 O ATOM 879 CB LEU A 54 5.697 -5.837 -5.035 1.00 0.00 C ATOM 880 CG LEU A 54 5.841 -6.698 -3.782 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.096 -7.553 -3.873 1.00 0.00 C ATOM 882 CD2 LEU A 54 5.879 -5.823 -2.530 1.00 0.00 C ATOM 0 H LEU A 54 3.369 -6.559 -4.509 1.00 0.00 H new ATOM 0 HA LEU A 54 4.661 -4.095 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.633 -6.498 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.606 -5.247 -5.152 1.00 0.00 H new ATOM 0 HG LEU A 54 4.975 -7.356 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.187 -8.162 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.031 -8.202 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.970 -6.908 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.982 -6.455 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.727 -5.141 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.955 -5.249 -2.459 1.00 0.00 H new ATOM 894 N ALA A 55 3.801 -5.074 -7.360 1.00 0.00 N ATOM 895 CA ALA A 55 3.648 -4.632 -8.732 1.00 0.00 C ATOM 896 C ALA A 55 2.849 -3.336 -8.863 1.00 0.00 C ATOM 897 O ALA A 55 3.215 -2.473 -9.681 1.00 0.00 O ATOM 898 CB ALA A 55 3.007 -5.730 -9.567 1.00 0.00 C ATOM 0 H ALA A 55 3.437 -6.008 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 55 4.650 -4.419 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.897 -5.387 -10.596 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.638 -6.618 -9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.026 -5.972 -9.158 1.00 0.00 H new ATOM 904 N GLU A 56 1.761 -3.157 -8.089 1.00 0.00 N ATOM 905 CA GLU A 56 1.007 -1.935 -8.248 1.00 0.00 C ATOM 906 C GLU A 56 1.844 -0.806 -7.702 1.00 0.00 C ATOM 907 O GLU A 56 1.892 0.276 -8.274 1.00 0.00 O ATOM 908 CB GLU A 56 -0.349 -1.973 -7.534 1.00 0.00 C ATOM 909 CG GLU A 56 -0.414 -1.073 -6.316 1.00 0.00 C ATOM 910 CD GLU A 56 -1.827 -0.888 -5.795 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.759 -1.487 -6.373 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.003 -0.142 -4.808 1.00 0.00 O ATOM 0 H GLU A 56 1.412 -3.812 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 56 0.790 -1.797 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.129 -1.679 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.563 -2.998 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.207 -1.494 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.006 -0.099 -6.567 1.00 0.00 H new ATOM 919 N TRP A 57 2.504 -1.059 -6.571 1.00 0.00 N ATOM 920 CA TRP A 57 3.318 -0.023 -5.963 1.00 0.00 C ATOM 921 C TRP A 57 4.403 0.453 -6.924 1.00 0.00 C ATOM 922 O TRP A 57 4.423 1.627 -7.291 1.00 0.00 O ATOM 923 CB TRP A 57 3.924 -0.501 -4.649 1.00 0.00 C ATOM 924 CG TRP A 57 4.427 0.634 -3.822 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.666 0.760 -3.286 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.707 1.822 -3.467 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.767 1.947 -2.616 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.575 2.621 -2.715 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.409 2.284 -3.715 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.192 3.862 -2.209 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.033 3.512 -3.211 1.00 0.00 C ATOM 932 CH2 TRP A 57 2.924 4.290 -2.467 1.00 0.00 C ATOM 0 H TRP A 57 2.489 -1.949 -6.073 1.00 0.00 H new ATOM 0 HA TRP A 57 2.669 0.824 -5.742 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.175 -1.057 -4.085 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.743 -1.190 -4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.457 0.030 -3.375 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.595 2.279 -2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.715 1.690 -4.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 4.877 4.465 -1.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.034 3.878 -3.394 1.00 0.00 H new ATOM 0 HH2 TRP A 57 2.602 5.249 -2.089 1.00 0.00 H new ATOM 943 N LYS A 58 5.293 -0.443 -7.358 1.00 0.00 N ATOM 944 CA LYS A 58 6.348 -0.054 -8.296 1.00 0.00 C ATOM 945 C LYS A 58 5.765 0.757 -9.441 1.00 0.00 C ATOM 946 O LYS A 58 6.200 1.878 -9.703 1.00 0.00 O ATOM 947 CB LYS A 58 7.124 -1.259 -8.849 1.00 0.00 C ATOM 948 CG LYS A 58 6.462 -2.586 -8.609 1.00 0.00 C ATOM 949 CD LYS A 58 6.864 -3.612 -9.658 1.00 0.00 C ATOM 950 CE LYS A 58 6.167 -3.359 -10.985 1.00 0.00 C ATOM 951 NZ LYS A 58 6.325 -4.506 -11.922 1.00 0.00 N ATOM 0 H LYS A 58 5.305 -1.425 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 58 7.057 0.557 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.263 -1.125 -9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.116 -1.275 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.731 -2.953 -7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.379 -2.460 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.944 -3.582 -9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.618 -4.612 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.107 -3.177 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.574 -2.457 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.836 -4.295 -12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.336 -4.664 -12.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.914 -5.361 -11.496 1.00 0.00 H new ATOM 965 N ARG A 59 4.772 0.190 -10.122 1.00 0.00 N ATOM 966 CA ARG A 59 4.143 0.890 -11.233 1.00 0.00 C ATOM 967 C ARG A 59 3.657 2.277 -10.802 1.00 0.00 C ATOM 968 O ARG A 59 3.581 3.198 -11.613 1.00 0.00 O ATOM 969 CB ARG A 59 2.982 0.066 -11.783 1.00 0.00 C ATOM 970 CG ARG A 59 3.437 -1.206 -12.476 1.00 0.00 C ATOM 971 CD ARG A 59 2.858 -1.323 -13.877 1.00 0.00 C ATOM 972 NE ARG A 59 3.453 -2.429 -14.625 1.00 0.00 N ATOM 973 CZ ARG A 59 4.707 -2.434 -15.070 1.00 0.00 C ATOM 974 NH1 ARG A 59 5.499 -1.390 -14.859 1.00 0.00 N ATOM 975 NH2 ARG A 59 5.172 -3.486 -15.732 1.00 0.00 N ATOM 0 H ARG A 59 4.392 -0.736 -9.927 1.00 0.00 H new ATOM 0 HA ARG A 59 4.886 1.022 -12.020 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.307 -0.192 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.413 0.674 -12.487 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.526 -1.221 -12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.135 -2.070 -11.884 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.780 -1.468 -13.813 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.023 -0.390 -14.416 1.00 0.00 H new ATOM 0 HE ARG A 59 2.872 -3.245 -14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.147 -0.577 -14.353 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.459 -1.401 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.568 -4.291 -15.900 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.133 -3.490 -16.073 1.00 0.00 H new ATOM 989 N ARG A 60 3.319 2.408 -9.519 1.00 0.00 N ATOM 990 CA ARG A 60 2.819 3.669 -8.969 1.00 0.00 C ATOM 991 C ARG A 60 3.944 4.613 -8.556 1.00 0.00 C ATOM 992 O ARG A 60 3.957 5.780 -8.949 1.00 0.00 O ATOM 993 CB ARG A 60 1.905 3.392 -7.771 1.00 0.00 C ATOM 994 CG ARG A 60 0.443 3.713 -8.039 1.00 0.00 C ATOM 995 CD ARG A 60 -0.470 2.573 -7.617 1.00 0.00 C ATOM 996 NE ARG A 60 -0.586 2.470 -6.165 1.00 0.00 N ATOM 997 CZ ARG A 60 -1.219 3.363 -5.405 1.00 0.00 C ATOM 998 NH1 ARG A 60 -1.786 4.428 -5.955 1.00 0.00 N ATOM 999 NH2 ARG A 60 -1.282 3.187 -4.092 1.00 0.00 N ATOM 0 H ARG A 60 3.383 1.652 -8.837 1.00 0.00 H new ATOM 0 HA ARG A 60 2.255 4.164 -9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.993 2.342 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.248 3.979 -6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.165 4.620 -7.502 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.304 3.917 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.459 2.723 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.086 1.635 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.157 1.667 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.739 4.567 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.269 5.108 -5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.846 2.369 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.766 3.869 -3.509 1.00 0.00 H new ATOM 1013 N LYS A 61 4.865 4.104 -7.747 1.00 0.00 N ATOM 1014 CA LYS A 61 6.003 4.893 -7.248 1.00 0.00 C ATOM 1015 C LYS A 61 6.427 5.944 -8.263 1.00 0.00 C ATOM 1016 O LYS A 61 6.722 7.086 -7.918 1.00 0.00 O ATOM 1017 CB LYS A 61 7.179 3.979 -6.901 1.00 0.00 C ATOM 1018 CG LYS A 61 7.460 3.903 -5.411 1.00 0.00 C ATOM 1019 CD LYS A 61 8.124 2.591 -5.036 1.00 0.00 C ATOM 1020 CE LYS A 61 9.622 2.637 -5.283 1.00 0.00 C ATOM 1021 NZ LYS A 61 10.166 1.300 -5.645 1.00 0.00 N ATOM 0 H LYS A 61 4.852 3.139 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 61 5.684 5.408 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.974 2.977 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.072 4.336 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.102 4.734 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.527 4.011 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.934 2.373 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.683 1.780 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.836 3.345 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.126 3.004 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.191 1.374 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.984 0.630 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.704 0.960 -6.512 1.00 0.00 H new ATOM 1035 N ARG A 62 6.461 5.526 -9.509 1.00 0.00 N ATOM 1036 CA ARG A 62 6.826 6.357 -10.655 1.00 0.00 C ATOM 1037 C ARG A 62 6.199 7.758 -10.655 1.00 0.00 C ATOM 1038 O ARG A 62 6.495 8.552 -11.548 1.00 0.00 O ATOM 1039 CB ARG A 62 6.466 5.631 -11.952 1.00 0.00 C ATOM 1040 CG ARG A 62 7.174 4.294 -12.114 1.00 0.00 C ATOM 1041 CD ARG A 62 7.544 4.031 -13.565 1.00 0.00 C ATOM 1042 NE ARG A 62 8.498 2.932 -13.696 1.00 0.00 N ATOM 1043 CZ ARG A 62 9.803 3.050 -13.463 1.00 0.00 C ATOM 1044 NH1 ARG A 62 10.315 4.217 -13.094 1.00 0.00 N ATOM 1045 NH2 ARG A 62 10.599 1.999 -13.605 1.00 0.00 N ATOM 0 H ARG A 62 6.229 4.568 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 62 7.902 6.514 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.389 5.469 -11.982 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.715 6.271 -12.799 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.074 4.281 -11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.529 3.494 -11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.643 3.798 -14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.970 4.935 -14.000 1.00 0.00 H new ATOM 0 HE ARG A 62 8.143 2.020 -13.983 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.708 5.030 -12.988 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.316 4.302 -12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.211 1.101 -13.893 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.599 2.089 -13.427 1.00 0.00 H new ATOM 1059 N ARG A 63 5.348 8.082 -9.682 1.00 0.00 N ATOM 1060 CA ARG A 63 4.726 9.406 -9.631 1.00 0.00 C ATOM 1061 C ARG A 63 5.106 10.160 -8.351 1.00 0.00 C ATOM 1062 O ARG A 63 5.251 11.382 -8.375 1.00 0.00 O ATOM 1063 CB ARG A 63 3.206 9.276 -9.720 1.00 0.00 C ATOM 1064 CG ARG A 63 2.528 10.497 -10.318 1.00 0.00 C ATOM 1065 CD ARG A 63 1.206 10.131 -10.970 1.00 0.00 C ATOM 1066 NE ARG A 63 1.384 9.185 -12.069 1.00 0.00 N ATOM 1067 CZ ARG A 63 0.413 8.409 -12.546 1.00 0.00 C ATOM 1068 NH1 ARG A 63 -0.807 8.465 -12.027 1.00 0.00 N ATOM 1069 NH2 ARG A 63 0.663 7.575 -13.546 1.00 0.00 N ATOM 0 H ARG A 63 5.075 7.454 -8.926 1.00 0.00 H new ATOM 0 HA ARG A 63 5.096 9.978 -10.482 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.959 8.401 -10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.805 9.100 -8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.358 11.239 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.186 10.955 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.540 9.699 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.723 11.034 -11.343 1.00 0.00 H new ATOM 0 HE ARG A 63 2.307 9.115 -12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.005 9.105 -11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.547 7.868 -12.397 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.599 7.528 -13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.080 6.980 -13.912 1.00 0.00 H new ATOM 1083 N LEU A 64 5.219 9.420 -7.233 1.00 0.00 N ATOM 1084 CA LEU A 64 5.539 9.982 -5.901 1.00 0.00 C ATOM 1085 C LEU A 64 5.461 11.508 -5.826 1.00 0.00 C ATOM 1086 O LEU A 64 6.474 12.187 -5.653 1.00 0.00 O ATOM 1087 CB LEU A 64 6.901 9.491 -5.368 1.00 0.00 C ATOM 1088 CG LEU A 64 8.146 9.668 -6.260 1.00 0.00 C ATOM 1089 CD1 LEU A 64 8.731 8.312 -6.616 1.00 0.00 C ATOM 1090 CD2 LEU A 64 7.852 10.457 -7.525 1.00 0.00 C ATOM 0 H LEU A 64 5.091 8.408 -7.225 1.00 0.00 H new ATOM 0 HA LEU A 64 4.750 9.598 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.093 10.004 -4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.805 8.430 -5.140 1.00 0.00 H new ATOM 0 HG LEU A 64 8.872 10.243 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.610 8.449 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.017 7.788 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.987 7.725 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.764 10.551 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.093 9.937 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.488 11.449 -7.259 1.00 0.00 H new ATOM 1102 N LYS A 65 4.246 12.037 -5.931 1.00 0.00 N ATOM 1103 CA LYS A 65 4.027 13.480 -5.857 1.00 0.00 C ATOM 1104 C LYS A 65 2.888 13.801 -4.890 1.00 0.00 C ATOM 1105 O LYS A 65 1.791 14.172 -5.306 1.00 0.00 O ATOM 1106 CB LYS A 65 3.715 14.039 -7.249 1.00 0.00 C ATOM 1107 CG LYS A 65 4.740 15.050 -7.743 1.00 0.00 C ATOM 1108 CD LYS A 65 6.122 14.428 -7.874 1.00 0.00 C ATOM 1109 CE LYS A 65 6.535 14.283 -9.330 1.00 0.00 C ATOM 1110 NZ LYS A 65 7.948 13.833 -9.467 1.00 0.00 N ATOM 0 H LYS A 65 3.397 11.489 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 65 4.937 13.950 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.660 13.214 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.732 14.510 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.425 15.446 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.783 15.892 -7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.851 15.045 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.128 13.449 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.877 13.568 -9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.408 15.238 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.189 13.747 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.579 14.528 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.065 12.910 -9.003 1.00 0.00 H new ATOM 1124 N GLY A 66 3.158 13.659 -3.593 1.00 0.00 N ATOM 1125 CA GLY A 66 2.145 13.937 -2.589 1.00 0.00 C ATOM 1126 C GLY A 66 2.710 14.627 -1.361 1.00 0.00 C ATOM 1127 O GLY A 66 3.409 15.634 -1.473 1.00 0.00 O ATOM 0 H GLY A 66 4.059 13.357 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.368 14.563 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.670 13.003 -2.289 1.00 0.00 H new ATOM 1131 N SER A 67 2.399 14.087 -0.184 1.00 0.00 N ATOM 1132 CA SER A 67 2.871 14.660 1.076 1.00 0.00 C ATOM 1133 C SER A 67 3.946 13.780 1.715 1.00 0.00 C ATOM 1134 O SER A 67 4.506 12.897 1.065 1.00 0.00 O ATOM 1135 CB SER A 67 1.697 14.836 2.042 1.00 0.00 C ATOM 1136 OG SER A 67 1.522 16.199 2.391 1.00 0.00 O ATOM 0 H SER A 67 1.822 13.253 -0.076 1.00 0.00 H new ATOM 0 HA SER A 67 3.313 15.633 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.785 14.455 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.871 14.247 2.942 1.00 0.00 H new ATOM 0 HG SER A 67 0.765 16.284 3.007 1.00 0.00 H new ATOM 1142 N ASN A 68 4.228 14.030 2.992 1.00 0.00 N ATOM 1143 CA ASN A 68 5.234 13.262 3.721 1.00 0.00 C ATOM 1144 C ASN A 68 4.694 12.806 5.074 1.00 0.00 C ATOM 1145 O ASN A 68 4.837 11.641 5.449 1.00 0.00 O ATOM 1146 CB ASN A 68 6.500 14.096 3.922 1.00 0.00 C ATOM 1147 CG ASN A 68 7.693 13.249 4.322 1.00 0.00 C ATOM 1148 OD1 ASN A 68 8.145 12.396 3.559 1.00 0.00 O ATOM 1149 ND2 ASN A 68 8.209 13.481 5.524 1.00 0.00 N ATOM 0 H ASN A 68 3.774 14.758 3.543 1.00 0.00 H new ATOM 0 HA ASN A 68 5.479 12.380 3.129 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.730 14.630 3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.318 14.848 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.012 12.942 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.802 14.198 6.124 1.00 0.00 H new ATOM 1156 N SER A 69 4.076 13.730 5.803 1.00 0.00 N ATOM 1157 CA SER A 69 3.516 13.421 7.115 1.00 0.00 C ATOM 1158 C SER A 69 2.498 14.477 7.535 1.00 0.00 C ATOM 1159 O SER A 69 2.923 15.573 7.957 1.00 0.00 O ATOM 1160 CB SER A 69 4.629 13.322 8.161 1.00 0.00 C ATOM 1161 OG SER A 69 4.924 11.971 8.467 1.00 0.00 O ATOM 1162 OXT SER A 69 1.285 14.199 7.437 1.00 0.00 O ATOM 0 H SER A 69 3.950 14.698 5.508 1.00 0.00 H new ATOM 0 HA SER A 69 3.008 12.459 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.526 13.818 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.327 13.846 9.068 1.00 0.00 H new ATOM 0 HG SER A 69 5.018 11.460 7.636 1.00 0.00 H new TER 1168 SER A 69