USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 18 SER OG : rot 136:sc= -2.32! USER MOD Set 1.2: A 19 HIS :FLIP no HE2:sc= -4.74! C(o=-8.7!,f=-7.1!) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0159 K(o=-2.2,f=-3.7!) USER MOD Set 2.2: A 7 ASN : amide:sc= -2.18 K(o=-2.2,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -5.22! C(o=-5.8!,f=-5.2!) USER MOD Single : A 14 SER OG : rot 29:sc= 1.18 USER MOD Single : A 15 TYR OH : rot 165:sc= 1.15 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.114) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0501 K(o=-0.05,f=-3.8!) USER MOD Single : A 45 SER OG : rot -132:sc= -2.12! USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= -4.94! C(o=-4.9!,f=-6.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.115 12.234 17.285 1.00 0.00 N ATOM 2 CA GLY A 1 -11.706 11.968 17.690 1.00 0.00 C ATOM 3 C GLY A 1 -11.088 10.941 16.739 1.00 0.00 C ATOM 4 O GLY A 1 -11.669 10.584 15.733 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.238 13.251 17.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.335 11.699 16.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.757 11.939 18.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.129 12.893 17.669 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.675 11.596 18.714 1.00 0.00 H new ATOM 10 N SER A 2 -9.914 10.463 17.049 1.00 0.00 N ATOM 11 CA SER A 2 -9.260 9.459 16.162 1.00 0.00 C ATOM 12 C SER A 2 -8.900 8.203 16.960 1.00 0.00 C ATOM 13 O SER A 2 -7.772 8.035 17.380 1.00 0.00 O ATOM 14 CB SER A 2 -7.996 10.148 15.648 1.00 0.00 C ATOM 15 OG SER A 2 -8.319 10.953 14.524 1.00 0.00 O ATOM 0 H SER A 2 -9.379 10.724 17.878 1.00 0.00 H new ATOM 0 HA SER A 2 -9.911 9.142 15.347 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.558 10.762 16.435 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.249 9.403 15.373 1.00 0.00 H new ATOM 0 HG SER A 2 -7.509 11.396 14.195 1.00 0.00 H new ATOM 21 N PRO A 3 -9.879 7.359 17.140 1.00 0.00 N ATOM 22 CA PRO A 3 -9.625 6.108 17.904 1.00 0.00 C ATOM 23 C PRO A 3 -8.486 5.312 17.259 1.00 0.00 C ATOM 24 O PRO A 3 -8.337 5.290 16.053 1.00 0.00 O ATOM 25 CB PRO A 3 -10.940 5.343 17.810 1.00 0.00 C ATOM 26 CG PRO A 3 -11.589 5.853 16.567 1.00 0.00 C ATOM 27 CD PRO A 3 -11.147 7.281 16.399 1.00 0.00 C ATOM 0 HA PRO A 3 -9.325 6.295 18.935 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.769 4.268 17.755 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.565 5.522 18.685 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.296 5.254 15.705 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.674 5.791 16.645 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.009 7.534 15.348 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.885 7.976 16.800 1.00 0.00 H new ATOM 35 N LEU A 4 -7.683 4.659 18.053 1.00 0.00 N ATOM 36 CA LEU A 4 -6.556 3.865 17.484 1.00 0.00 C ATOM 37 C LEU A 4 -6.915 2.378 17.462 1.00 0.00 C ATOM 38 O LEU A 4 -7.549 1.868 18.365 1.00 0.00 O ATOM 39 CB LEU A 4 -5.378 4.118 18.426 1.00 0.00 C ATOM 40 CG LEU A 4 -5.136 5.625 18.546 1.00 0.00 C ATOM 41 CD1 LEU A 4 -3.917 5.876 19.436 1.00 0.00 C ATOM 42 CD2 LEU A 4 -4.882 6.211 17.156 1.00 0.00 C ATOM 0 H LEU A 4 -7.758 4.640 19.070 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.326 4.151 16.458 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.586 3.693 19.408 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.483 3.624 18.048 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.012 6.101 18.987 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.744 6.949 19.522 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.097 5.457 20.426 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.041 5.401 18.995 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.709 7.284 17.239 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.006 5.736 16.715 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.750 6.031 16.521 1.00 0.00 H new ATOM 54 N GLN A 5 -6.514 1.676 16.436 1.00 0.00 N ATOM 55 CA GLN A 5 -6.834 0.222 16.356 1.00 0.00 C ATOM 56 C GLN A 5 -6.084 -0.546 17.448 1.00 0.00 C ATOM 57 O GLN A 5 -6.409 -1.673 17.762 1.00 0.00 O ATOM 58 CB GLN A 5 -6.356 -0.212 14.970 1.00 0.00 C ATOM 59 CG GLN A 5 -7.102 0.587 13.899 1.00 0.00 C ATOM 60 CD GLN A 5 -6.547 0.230 12.519 1.00 0.00 C ATOM 61 OE1 GLN A 5 -5.448 -0.276 12.405 1.00 0.00 O ATOM 62 NE2 GLN A 5 -7.267 0.472 11.458 1.00 0.00 N ATOM 0 H GLN A 5 -5.979 2.047 15.651 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.896 0.024 16.502 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.282 -0.051 14.877 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.531 -1.279 14.831 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.169 0.366 13.942 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.990 1.656 14.083 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.189 0.897 11.554 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.907 0.236 10.533 1.00 0.00 H new ATOM 71 N ASP A 6 -5.082 0.055 18.027 1.00 0.00 N ATOM 72 CA ASP A 6 -4.312 -0.642 19.098 1.00 0.00 C ATOM 73 C ASP A 6 -3.955 -2.063 18.652 1.00 0.00 C ATOM 74 O ASP A 6 -4.093 -3.011 19.400 1.00 0.00 O ATOM 75 CB ASP A 6 -5.252 -0.677 20.303 1.00 0.00 C ATOM 76 CG ASP A 6 -5.596 0.753 20.724 1.00 0.00 C ATOM 77 OD1 ASP A 6 -4.908 1.660 20.285 1.00 0.00 O ATOM 78 OD2 ASP A 6 -6.542 0.917 21.477 1.00 0.00 O ATOM 0 H ASP A 6 -4.762 0.998 17.806 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.374 -0.137 19.329 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.162 -1.222 20.052 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.780 -1.207 21.130 1.00 0.00 H new ATOM 83 N ASN A 7 -3.497 -2.217 17.441 1.00 0.00 N ATOM 84 CA ASN A 7 -3.132 -3.577 16.949 1.00 0.00 C ATOM 85 C ASN A 7 -1.736 -3.961 17.447 1.00 0.00 C ATOM 86 O ASN A 7 -1.233 -5.027 17.153 1.00 0.00 O ATOM 87 CB ASN A 7 -3.145 -3.464 15.424 1.00 0.00 C ATOM 88 CG ASN A 7 -4.572 -3.194 14.944 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.787 -2.384 14.066 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.565 -3.845 15.488 1.00 0.00 N ATOM 0 H ASN A 7 -3.359 -1.461 16.770 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.819 -4.344 17.306 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.484 -2.659 15.103 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.768 -4.384 14.977 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.520 -3.673 15.175 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.385 -4.526 16.226 1.00 0.00 H new ATOM 97 N LEU A 8 -1.106 -3.100 18.199 1.00 0.00 N ATOM 98 CA LEU A 8 0.256 -3.416 18.714 1.00 0.00 C ATOM 99 C LEU A 8 0.161 -4.344 19.929 1.00 0.00 C ATOM 100 O LEU A 8 -0.726 -4.218 20.750 1.00 0.00 O ATOM 101 CB LEU A 8 0.851 -2.066 19.115 1.00 0.00 C ATOM 102 CG LEU A 8 1.132 -1.241 17.859 1.00 0.00 C ATOM 103 CD1 LEU A 8 -0.181 -0.668 17.321 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.085 -0.094 18.205 1.00 0.00 C ATOM 0 H LEU A 8 -1.476 -2.192 18.479 1.00 0.00 H new ATOM 0 HA LEU A 8 0.869 -3.927 17.972 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.161 -1.531 19.768 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.772 -2.215 19.679 1.00 0.00 H new ATOM 0 HG LEU A 8 1.589 -1.877 17.101 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.019 -0.080 16.425 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.860 -1.484 17.075 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.638 -0.032 18.079 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.286 0.495 17.310 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.628 0.542 18.963 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.020 -0.501 18.589 1.00 0.00 H new ATOM 116 N VAL A 9 1.068 -5.274 20.048 1.00 0.00 N ATOM 117 CA VAL A 9 1.029 -6.208 21.210 1.00 0.00 C ATOM 118 C VAL A 9 2.429 -6.759 21.491 1.00 0.00 C ATOM 119 O VAL A 9 3.356 -6.544 20.735 1.00 0.00 O ATOM 120 CB VAL A 9 0.090 -7.336 20.781 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.301 -6.766 20.502 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.634 -7.999 19.513 1.00 0.00 C ATOM 0 H VAL A 9 1.834 -5.428 19.392 1.00 0.00 H new ATOM 0 HA VAL A 9 0.689 -5.717 22.122 1.00 0.00 H new ATOM 0 HB VAL A 9 0.025 -8.076 21.579 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.969 -7.571 20.196 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.689 -6.295 21.405 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.237 -6.025 19.705 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.035 -8.803 19.207 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.701 -7.259 18.715 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.625 -8.408 19.712 1.00 0.00 H new ATOM 132 N ILE A 10 2.588 -7.475 22.570 1.00 0.00 N ATOM 133 CA ILE A 10 3.926 -8.046 22.895 1.00 0.00 C ATOM 134 C ILE A 10 3.868 -9.573 22.825 1.00 0.00 C ATOM 135 O ILE A 10 2.823 -10.170 22.991 1.00 0.00 O ATOM 136 CB ILE A 10 4.222 -7.584 24.323 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.894 -6.096 24.456 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.702 -7.810 24.634 1.00 0.00 C ATOM 139 CD1 ILE A 10 4.639 -5.309 23.375 1.00 0.00 C ATOM 0 H ILE A 10 1.850 -7.689 23.240 1.00 0.00 H new ATOM 0 HA ILE A 10 4.698 -7.720 22.198 1.00 0.00 H new ATOM 0 HB ILE A 10 3.612 -8.154 25.024 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.820 -5.940 24.359 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.180 -5.737 25.444 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.914 -7.481 25.651 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.936 -8.870 24.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.312 -7.240 23.934 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.405 -4.249 23.470 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.713 -5.456 23.493 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.331 -5.662 22.391 1.00 0.00 H new ATOM 151 N ALA A 11 4.978 -10.213 22.578 1.00 0.00 N ATOM 152 CA ALA A 11 4.971 -11.700 22.497 1.00 0.00 C ATOM 153 C ALA A 11 4.981 -12.306 23.901 1.00 0.00 C ATOM 154 O ALA A 11 5.966 -12.242 24.607 1.00 0.00 O ATOM 155 CB ALA A 11 6.253 -12.061 21.748 1.00 0.00 C ATOM 0 H ALA A 11 5.886 -9.772 22.429 1.00 0.00 H new ATOM 0 HA ALA A 11 4.083 -12.082 21.993 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.322 -13.144 21.647 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.237 -11.604 20.758 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.115 -11.693 22.304 1.00 0.00 H new ATOM 161 N LEU A 12 3.897 -12.902 24.313 1.00 0.00 N ATOM 162 CA LEU A 12 3.863 -13.517 25.669 1.00 0.00 C ATOM 163 C LEU A 12 4.751 -14.761 25.683 1.00 0.00 C ATOM 164 O LEU A 12 5.189 -15.217 26.720 1.00 0.00 O ATOM 165 CB LEU A 12 2.400 -13.895 25.902 1.00 0.00 C ATOM 166 CG LEU A 12 2.186 -14.210 27.385 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.391 -12.940 28.211 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.765 -14.734 27.594 1.00 0.00 C ATOM 0 H LEU A 12 3.037 -12.990 23.772 1.00 0.00 H new ATOM 0 HA LEU A 12 4.229 -12.845 26.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.748 -13.077 25.595 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.135 -14.759 25.293 1.00 0.00 H new ATOM 0 HG LEU A 12 2.902 -14.968 27.703 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.239 -13.164 29.267 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.405 -12.568 28.062 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.676 -12.181 27.894 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.612 -14.959 28.650 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.048 -13.977 27.276 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.621 -15.640 27.006 1.00 0.00 H new ATOM 180 N HIS A 13 5.019 -15.309 24.530 1.00 0.00 N ATOM 181 CA HIS A 13 5.880 -16.523 24.457 1.00 0.00 C ATOM 182 C HIS A 13 6.623 -16.554 23.119 1.00 0.00 C ATOM 183 O HIS A 13 6.704 -15.563 22.420 1.00 0.00 O ATOM 184 CB HIS A 13 4.908 -17.696 24.559 1.00 0.00 C ATOM 185 CG HIS A 13 4.262 -17.694 25.917 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.688 -18.159 27.137 1.00 0.00 N flip ATOM 187 CD2 HIS A 13 3.004 -17.156 26.136 1.00 0.00 C flip ATOM 188 CE1 HIS A 13 3.712 -17.913 28.098 1.00 0.00 C flip ATOM 189 NE2 HIS A 13 2.719 -17.309 27.442 1.00 0.00 N flip ATOM 0 H HIS A 13 4.677 -14.967 23.632 1.00 0.00 H new ATOM 0 HA HIS A 13 6.635 -16.550 25.242 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.147 -17.620 23.782 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.437 -18.635 24.397 1.00 0.00 H new ATOM 0 HD1 HIS A 13 5.583 -18.615 27.312 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.368 -16.697 25.393 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.750 -18.158 29.149 1.00 0.00 H new ATOM 197 N SER A 14 7.165 -17.684 22.754 1.00 0.00 N ATOM 198 CA SER A 14 7.898 -17.773 21.459 1.00 0.00 C ATOM 199 C SER A 14 7.126 -18.659 20.478 1.00 0.00 C ATOM 200 O SER A 14 6.594 -19.689 20.844 1.00 0.00 O ATOM 201 CB SER A 14 9.245 -18.406 21.808 1.00 0.00 C ATOM 202 OG SER A 14 10.098 -18.357 20.674 1.00 0.00 O ATOM 0 H SER A 14 7.132 -18.548 23.295 1.00 0.00 H new ATOM 0 HA SER A 14 8.018 -16.800 20.983 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.702 -17.876 22.644 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.102 -19.439 22.125 1.00 0.00 H new ATOM 0 HG SER A 14 9.859 -17.586 20.118 1.00 0.00 H new ATOM 208 N TYR A 15 7.061 -18.273 19.233 1.00 0.00 N ATOM 209 CA TYR A 15 6.325 -19.100 18.236 1.00 0.00 C ATOM 210 C TYR A 15 7.314 -19.883 17.368 1.00 0.00 C ATOM 211 O TYR A 15 8.492 -19.588 17.332 1.00 0.00 O ATOM 212 CB TYR A 15 5.535 -18.100 17.390 1.00 0.00 C ATOM 213 CG TYR A 15 4.778 -18.841 16.314 1.00 0.00 C ATOM 214 CD1 TYR A 15 5.397 -19.130 15.091 1.00 0.00 C ATOM 215 CD2 TYR A 15 3.458 -19.243 16.541 1.00 0.00 C ATOM 216 CE1 TYR A 15 4.694 -19.819 14.096 1.00 0.00 C ATOM 217 CE2 TYR A 15 2.755 -19.933 15.546 1.00 0.00 C ATOM 218 CZ TYR A 15 3.373 -20.222 14.324 1.00 0.00 C ATOM 219 OH TYR A 15 2.681 -20.902 13.342 1.00 0.00 O ATOM 0 H TYR A 15 7.485 -17.422 18.864 1.00 0.00 H new ATOM 0 HA TYR A 15 5.671 -19.832 18.709 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.842 -17.542 18.019 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.211 -17.374 16.940 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.417 -18.821 14.916 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.981 -19.021 17.484 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.171 -20.040 13.152 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.735 -20.242 15.722 1.00 0.00 H new ATOM 0 HH TYR A 15 1.881 -21.314 13.731 1.00 0.00 H new ATOM 229 N GLU A 16 6.845 -20.880 16.670 1.00 0.00 N ATOM 230 CA GLU A 16 7.760 -21.683 15.807 1.00 0.00 C ATOM 231 C GLU A 16 7.300 -21.622 14.348 1.00 0.00 C ATOM 232 O GLU A 16 6.166 -21.929 14.040 1.00 0.00 O ATOM 233 CB GLU A 16 7.656 -23.112 16.343 1.00 0.00 C ATOM 234 CG GLU A 16 8.298 -23.183 17.729 1.00 0.00 C ATOM 235 CD GLU A 16 9.811 -22.995 17.601 1.00 0.00 C ATOM 236 OE1 GLU A 16 10.385 -23.572 16.692 1.00 0.00 O ATOM 237 OE2 GLU A 16 10.370 -22.277 18.414 1.00 0.00 O ATOM 0 H GLU A 16 5.868 -21.174 16.659 1.00 0.00 H new ATOM 0 HA GLU A 16 8.784 -21.311 15.832 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.611 -23.416 16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.154 -23.804 15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.879 -22.412 18.376 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.078 -24.144 18.194 1.00 0.00 H new ATOM 244 N PRO A 17 8.205 -21.224 13.496 1.00 0.00 N ATOM 245 CA PRO A 17 7.850 -21.133 12.056 1.00 0.00 C ATOM 246 C PRO A 17 7.782 -22.530 11.436 1.00 0.00 C ATOM 247 O PRO A 17 8.717 -22.988 10.809 1.00 0.00 O ATOM 248 CB PRO A 17 8.991 -20.328 11.444 1.00 0.00 C ATOM 249 CG PRO A 17 10.150 -20.550 12.358 1.00 0.00 C ATOM 250 CD PRO A 17 9.586 -20.775 13.736 1.00 0.00 C ATOM 0 HA PRO A 17 6.877 -20.672 11.888 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.215 -20.666 10.432 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.737 -19.270 11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.736 -21.411 12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.818 -19.689 12.350 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.158 -21.525 14.282 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.609 -19.861 14.329 1.00 0.00 H new ATOM 258 N SER A 18 6.683 -23.213 11.604 1.00 0.00 N ATOM 259 CA SER A 18 6.560 -24.580 11.023 1.00 0.00 C ATOM 260 C SER A 18 6.230 -24.492 9.530 1.00 0.00 C ATOM 261 O SER A 18 6.118 -25.491 8.849 1.00 0.00 O ATOM 262 CB SER A 18 5.410 -25.234 11.789 1.00 0.00 C ATOM 263 OG SER A 18 4.188 -24.602 11.437 1.00 0.00 O ATOM 0 H SER A 18 5.866 -22.884 12.118 1.00 0.00 H new ATOM 0 HA SER A 18 7.484 -25.151 11.111 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.362 -26.298 11.556 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.579 -25.150 12.862 1.00 0.00 H new ATOM 0 HG SER A 18 3.499 -25.283 11.285 1.00 0.00 H new ATOM 269 N HIS A 19 6.075 -23.301 9.018 1.00 0.00 N ATOM 270 CA HIS A 19 5.754 -23.147 7.570 1.00 0.00 C ATOM 271 C HIS A 19 6.376 -21.860 7.026 1.00 0.00 C ATOM 272 O HIS A 19 6.446 -20.855 7.707 1.00 0.00 O ATOM 273 CB HIS A 19 4.227 -23.074 7.508 1.00 0.00 C ATOM 274 CG HIS A 19 3.639 -24.287 8.175 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.683 -25.623 7.855 1.00 0.00 N flip ATOM 276 CD2 HIS A 19 2.888 -24.201 9.336 1.00 0.00 C flip ATOM 277 CE1 HIS A 19 2.971 -26.353 8.801 1.00 0.00 C flip ATOM 278 NE2 HIS A 19 2.513 -25.449 9.670 1.00 0.00 N flip ATOM 0 H HIS A 19 6.157 -22.428 9.540 1.00 0.00 H new ATOM 0 HA HIS A 19 6.147 -23.968 6.970 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.875 -22.168 8.002 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.897 -23.020 6.471 1.00 0.00 H new ATOM 0 HD1 HIS A 19 4.164 -26.019 7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.647 -23.297 9.875 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.821 -27.422 8.827 1.00 0.00 H new ATOM 286 N ASP A 20 6.833 -21.881 5.803 1.00 0.00 N ATOM 287 CA ASP A 20 7.453 -20.658 5.218 1.00 0.00 C ATOM 288 C ASP A 20 6.489 -19.473 5.318 1.00 0.00 C ATOM 289 O ASP A 20 5.344 -19.555 4.917 1.00 0.00 O ATOM 290 CB ASP A 20 7.715 -21.011 3.753 1.00 0.00 C ATOM 291 CG ASP A 20 8.440 -19.849 3.070 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.970 -19.009 3.779 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.451 -19.818 1.851 1.00 0.00 O ATOM 0 H ASP A 20 6.804 -22.691 5.184 1.00 0.00 H new ATOM 0 HA ASP A 20 8.365 -20.369 5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.317 -21.918 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.774 -21.216 3.243 1.00 0.00 H new ATOM 298 N GLY A 21 6.943 -18.370 5.849 1.00 0.00 N ATOM 299 CA GLY A 21 6.053 -17.180 5.973 1.00 0.00 C ATOM 300 C GLY A 21 5.616 -17.018 7.431 1.00 0.00 C ATOM 301 O GLY A 21 5.089 -15.995 7.820 1.00 0.00 O ATOM 0 H GLY A 21 7.891 -18.241 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.577 -16.285 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.180 -17.298 5.332 1.00 0.00 H new ATOM 305 N ASP A 22 5.831 -18.019 8.240 1.00 0.00 N ATOM 306 CA ASP A 22 5.427 -17.919 9.672 1.00 0.00 C ATOM 307 C ASP A 22 6.502 -17.184 10.478 1.00 0.00 C ATOM 308 O ASP A 22 7.648 -17.113 10.082 1.00 0.00 O ATOM 309 CB ASP A 22 5.297 -19.367 10.148 1.00 0.00 C ATOM 310 CG ASP A 22 3.996 -19.966 9.611 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.619 -19.615 8.505 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.400 -20.765 10.314 1.00 0.00 O ATOM 0 H ASP A 22 6.268 -18.901 7.972 1.00 0.00 H new ATOM 0 HA ASP A 22 4.499 -17.361 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.149 -19.952 9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.305 -19.405 11.237 1.00 0.00 H new ATOM 317 N LEU A 23 6.138 -16.636 11.604 1.00 0.00 N ATOM 318 CA LEU A 23 7.137 -15.904 12.435 1.00 0.00 C ATOM 319 C LEU A 23 7.255 -16.560 13.815 1.00 0.00 C ATOM 320 O LEU A 23 6.276 -16.746 14.510 1.00 0.00 O ATOM 321 CB LEU A 23 6.581 -14.485 12.559 1.00 0.00 C ATOM 322 CG LEU A 23 7.699 -13.534 12.991 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.769 -13.477 11.899 1.00 0.00 C ATOM 324 CD2 LEU A 23 7.121 -12.135 13.213 1.00 0.00 C ATOM 0 H LEU A 23 5.192 -16.663 11.985 1.00 0.00 H new ATOM 0 HA LEU A 23 8.133 -15.914 11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.163 -14.162 11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.770 -14.463 13.286 1.00 0.00 H new ATOM 0 HG LEU A 23 8.145 -13.894 13.918 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.566 -12.800 12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.181 -14.474 11.741 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.324 -13.117 10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.917 -11.457 13.521 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.675 -11.774 12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.358 -12.176 13.991 1.00 0.00 H new ATOM 336 N GLY A 24 8.446 -16.915 14.214 1.00 0.00 N ATOM 337 CA GLY A 24 8.622 -17.564 15.545 1.00 0.00 C ATOM 338 C GLY A 24 9.231 -16.567 16.533 1.00 0.00 C ATOM 339 O GLY A 24 10.262 -16.821 17.124 1.00 0.00 O ATOM 0 H GLY A 24 9.303 -16.784 13.677 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.660 -17.917 15.917 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.268 -18.437 15.451 1.00 0.00 H new ATOM 343 N PHE A 25 8.610 -15.435 16.718 1.00 0.00 N ATOM 344 CA PHE A 25 9.157 -14.422 17.667 1.00 0.00 C ATOM 345 C PHE A 25 9.480 -15.059 19.021 1.00 0.00 C ATOM 346 O PHE A 25 9.180 -16.209 19.269 1.00 0.00 O ATOM 347 CB PHE A 25 8.033 -13.396 17.823 1.00 0.00 C ATOM 348 CG PHE A 25 6.761 -14.099 18.243 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.512 -14.345 19.599 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.831 -14.505 17.277 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.334 -14.997 19.988 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.654 -15.157 17.667 1.00 0.00 C ATOM 353 CZ PHE A 25 4.406 -15.402 19.023 1.00 0.00 C ATOM 0 H PHE A 25 7.744 -15.166 16.251 1.00 0.00 H new ATOM 0 HA PHE A 25 10.084 -13.980 17.302 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.310 -12.648 18.566 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.875 -12.868 16.883 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.228 -14.032 20.345 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.022 -14.315 16.231 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.143 -15.187 21.034 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.938 -15.471 16.922 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.498 -15.904 19.324 1.00 0.00 H new ATOM 363 N GLU A 26 10.087 -14.308 19.900 1.00 0.00 N ATOM 364 CA GLU A 26 10.429 -14.852 21.245 1.00 0.00 C ATOM 365 C GLU A 26 9.582 -14.164 22.320 1.00 0.00 C ATOM 366 O GLU A 26 8.740 -13.338 22.025 1.00 0.00 O ATOM 367 CB GLU A 26 11.910 -14.527 21.440 1.00 0.00 C ATOM 368 CG GLU A 26 12.716 -15.090 20.268 1.00 0.00 C ATOM 369 CD GLU A 26 14.186 -14.697 20.424 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.460 -13.802 21.208 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.014 -15.296 19.756 1.00 0.00 O ATOM 0 H GLU A 26 10.361 -13.338 19.744 1.00 0.00 H new ATOM 0 HA GLU A 26 10.235 -15.922 21.321 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.051 -13.448 21.507 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.266 -14.953 22.378 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.620 -16.175 20.235 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.324 -14.707 19.326 1.00 0.00 H new ATOM 378 N LYS A 27 9.798 -14.493 23.564 1.00 0.00 N ATOM 379 CA LYS A 27 9.001 -13.856 24.652 1.00 0.00 C ATOM 380 C LYS A 27 9.356 -12.371 24.772 1.00 0.00 C ATOM 381 O LYS A 27 10.512 -12.003 24.857 1.00 0.00 O ATOM 382 CB LYS A 27 9.398 -14.606 25.924 1.00 0.00 C ATOM 383 CG LYS A 27 9.361 -16.113 25.661 1.00 0.00 C ATOM 384 CD LYS A 27 8.753 -16.826 26.870 1.00 0.00 C ATOM 385 CE LYS A 27 8.481 -18.290 26.516 1.00 0.00 C ATOM 386 NZ LYS A 27 9.815 -18.950 26.576 1.00 0.00 N ATOM 0 H LYS A 27 10.491 -15.174 23.874 1.00 0.00 H new ATOM 0 HA LYS A 27 7.929 -13.910 24.463 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.397 -14.306 26.239 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.718 -14.351 26.736 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.773 -16.323 24.768 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.368 -16.485 25.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.433 -16.767 27.720 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.827 -16.335 27.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.783 -18.744 27.219 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.039 -18.382 25.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.992 -19.456 25.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.552 -18.230 26.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.833 -19.625 27.367 1.00 0.00 H new ATOM 400 N GLY A 28 8.370 -11.517 24.784 1.00 0.00 N ATOM 401 CA GLY A 28 8.646 -10.058 24.903 1.00 0.00 C ATOM 402 C GLY A 28 8.736 -9.440 23.507 1.00 0.00 C ATOM 403 O GLY A 28 8.638 -8.239 23.343 1.00 0.00 O ATOM 0 H GLY A 28 7.383 -11.767 24.716 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.856 -9.573 25.477 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.578 -9.896 25.445 1.00 0.00 H new ATOM 407 N GLU A 29 8.928 -10.246 22.499 1.00 0.00 N ATOM 408 CA GLU A 29 9.030 -9.698 21.117 1.00 0.00 C ATOM 409 C GLU A 29 7.792 -8.863 20.782 1.00 0.00 C ATOM 410 O GLU A 29 6.676 -9.340 20.836 1.00 0.00 O ATOM 411 CB GLU A 29 9.112 -10.924 20.208 1.00 0.00 C ATOM 412 CG GLU A 29 9.526 -10.490 18.801 1.00 0.00 C ATOM 413 CD GLU A 29 10.360 -11.596 18.152 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.154 -12.201 18.852 1.00 0.00 O ATOM 415 OE2 GLU A 29 10.190 -11.819 16.964 1.00 0.00 O ATOM 0 H GLU A 29 9.019 -11.259 22.572 1.00 0.00 H new ATOM 0 HA GLU A 29 9.894 -9.044 20.998 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.833 -11.638 20.607 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.147 -11.430 20.175 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.642 -10.284 18.197 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.102 -9.566 18.848 1.00 0.00 H new ATOM 422 N GLN A 30 7.982 -7.620 20.430 1.00 0.00 N ATOM 423 CA GLN A 30 6.817 -6.758 20.086 1.00 0.00 C ATOM 424 C GLN A 30 6.359 -7.048 18.655 1.00 0.00 C ATOM 425 O GLN A 30 7.153 -7.090 17.736 1.00 0.00 O ATOM 426 CB GLN A 30 7.334 -5.325 20.206 1.00 0.00 C ATOM 427 CG GLN A 30 6.269 -4.352 19.697 1.00 0.00 C ATOM 428 CD GLN A 30 6.923 -3.011 19.360 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.576 -2.878 18.344 1.00 0.00 O ATOM 430 NE2 GLN A 30 6.774 -2.003 20.175 1.00 0.00 N ATOM 0 H GLN A 30 8.893 -7.165 20.366 1.00 0.00 H new ATOM 0 HA GLN A 30 5.961 -6.935 20.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.579 -5.102 21.244 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.252 -5.209 19.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.779 -4.762 18.814 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.497 -4.212 20.454 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.226 -2.114 21.028 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.205 -1.104 19.959 1.00 0.00 H new ATOM 439 N LEU A 31 5.086 -7.250 18.457 1.00 0.00 N ATOM 440 CA LEU A 31 4.585 -7.541 17.084 1.00 0.00 C ATOM 441 C LEU A 31 3.298 -6.761 16.812 1.00 0.00 C ATOM 442 O LEU A 31 2.605 -6.346 17.721 1.00 0.00 O ATOM 443 CB LEU A 31 4.310 -9.045 17.071 1.00 0.00 C ATOM 444 CG LEU A 31 5.572 -9.799 17.498 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.224 -11.268 17.753 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.619 -9.710 16.386 1.00 0.00 C ATOM 0 H LEU A 31 4.372 -7.226 19.185 1.00 0.00 H new ATOM 0 HA LEU A 31 5.301 -7.250 16.316 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.487 -9.281 17.746 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.005 -9.361 16.073 1.00 0.00 H new ATOM 0 HG LEU A 31 5.971 -9.355 18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.121 -11.807 18.057 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.476 -11.333 18.543 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.826 -11.711 16.840 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.518 -10.247 16.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.220 -10.155 15.474 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.865 -8.664 16.201 1.00 0.00 H new ATOM 458 N ARG A 32 2.969 -6.563 15.565 1.00 0.00 N ATOM 459 CA ARG A 32 1.723 -5.815 15.231 1.00 0.00 C ATOM 460 C ARG A 32 0.670 -6.779 14.677 1.00 0.00 C ATOM 461 O ARG A 32 0.966 -7.627 13.863 1.00 0.00 O ATOM 462 CB ARG A 32 2.140 -4.805 14.163 1.00 0.00 C ATOM 463 CG ARG A 32 0.894 -4.254 13.468 1.00 0.00 C ATOM 464 CD ARG A 32 1.284 -3.066 12.585 1.00 0.00 C ATOM 465 NE ARG A 32 0.065 -2.210 12.541 1.00 0.00 N ATOM 466 CZ ARG A 32 0.118 -1.027 11.992 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.647 -0.881 10.808 1.00 0.00 N ATOM 468 NH2 ARG A 32 -0.359 0.009 12.626 1.00 0.00 N ATOM 0 H ARG A 32 3.509 -6.887 14.762 1.00 0.00 H new ATOM 0 HA ARG A 32 1.285 -5.326 16.101 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.706 -3.992 14.618 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.796 -5.281 13.434 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.428 -5.032 12.864 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.158 -3.943 14.210 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.133 -2.525 13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.574 -3.393 11.587 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.811 -2.548 12.940 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.019 -1.691 10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.689 0.043 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.773 -0.105 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.317 0.933 12.197 1.00 0.00 H new ATOM 482 N ILE A 33 -0.554 -6.660 15.114 1.00 0.00 N ATOM 483 CA ILE A 33 -1.617 -7.578 14.608 1.00 0.00 C ATOM 484 C ILE A 33 -2.315 -6.964 13.391 1.00 0.00 C ATOM 485 O ILE A 33 -3.264 -6.217 13.518 1.00 0.00 O ATOM 486 CB ILE A 33 -2.600 -7.725 15.771 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.888 -8.357 16.967 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.766 -8.619 15.342 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.896 -8.593 18.095 1.00 0.00 C ATOM 0 H ILE A 33 -0.865 -5.969 15.797 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.213 -8.539 14.290 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.978 -6.742 16.052 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.428 -9.300 16.673 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.086 -7.705 17.312 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.467 -8.725 16.170 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.275 -8.169 14.490 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.387 -9.601 15.060 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.389 -9.044 18.948 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.335 -7.642 18.395 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.683 -9.262 17.746 1.00 0.00 H new ATOM 501 N LEU A 34 -1.842 -7.264 12.212 1.00 0.00 N ATOM 502 CA LEU A 34 -2.469 -6.684 10.989 1.00 0.00 C ATOM 503 C LEU A 34 -3.755 -7.440 10.633 1.00 0.00 C ATOM 504 O LEU A 34 -4.661 -6.889 10.039 1.00 0.00 O ATOM 505 CB LEU A 34 -1.423 -6.861 9.889 1.00 0.00 C ATOM 506 CG LEU A 34 -0.165 -6.068 10.253 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.860 -6.191 9.124 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.529 -4.596 10.453 1.00 0.00 C ATOM 0 H LEU A 34 -1.050 -7.884 12.042 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.748 -5.639 11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.179 -7.917 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.821 -6.516 8.935 1.00 0.00 H new ATOM 0 HG LEU A 34 0.260 -6.465 11.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.756 -5.627 9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.120 -7.240 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.435 -5.794 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.367 -4.032 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.955 -4.198 9.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.259 -4.508 11.258 1.00 0.00 H new ATOM 520 N GLU A 35 -3.845 -8.692 10.990 1.00 0.00 N ATOM 521 CA GLU A 35 -5.078 -9.466 10.666 1.00 0.00 C ATOM 522 C GLU A 35 -5.577 -10.207 11.908 1.00 0.00 C ATOM 523 O GLU A 35 -4.809 -10.801 12.637 1.00 0.00 O ATOM 524 CB GLU A 35 -4.651 -10.459 9.585 1.00 0.00 C ATOM 525 CG GLU A 35 -4.361 -9.705 8.286 1.00 0.00 C ATOM 526 CD GLU A 35 -3.967 -10.702 7.194 1.00 0.00 C ATOM 527 OE1 GLU A 35 -3.959 -11.888 7.478 1.00 0.00 O ATOM 528 OE2 GLU A 35 -3.679 -10.261 6.093 1.00 0.00 O ATOM 0 H GLU A 35 -3.123 -9.211 11.489 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.892 -8.824 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.764 -11.005 9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.437 -11.196 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.240 -9.140 7.977 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.558 -8.985 8.443 1.00 0.00 H new ATOM 535 N GLN A 36 -6.858 -10.178 12.154 1.00 0.00 N ATOM 536 CA GLN A 36 -7.402 -10.882 13.350 1.00 0.00 C ATOM 537 C GLN A 36 -8.640 -11.696 12.966 1.00 0.00 C ATOM 538 O GLN A 36 -9.701 -11.539 13.536 1.00 0.00 O ATOM 539 CB GLN A 36 -7.774 -9.770 14.331 1.00 0.00 C ATOM 540 CG GLN A 36 -8.759 -8.809 13.664 1.00 0.00 C ATOM 541 CD GLN A 36 -8.986 -7.598 14.571 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.140 -6.732 14.669 1.00 0.00 O ATOM 543 NE2 GLN A 36 -10.100 -7.502 15.244 1.00 0.00 N ATOM 0 H GLN A 36 -7.551 -9.698 11.580 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.684 -11.580 13.780 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.219 -10.197 15.230 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.879 -9.232 14.643 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.370 -8.485 12.698 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.705 -9.316 13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.810 -8.230 15.161 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.261 -6.699 15.853 1.00 0.00 H new ATOM 552 N SER A 37 -8.512 -12.566 12.001 1.00 0.00 N ATOM 553 CA SER A 37 -9.681 -13.390 11.579 1.00 0.00 C ATOM 554 C SER A 37 -9.399 -14.874 11.829 1.00 0.00 C ATOM 555 O SER A 37 -8.292 -15.343 11.658 1.00 0.00 O ATOM 556 CB SER A 37 -9.836 -13.119 10.081 1.00 0.00 C ATOM 557 OG SER A 37 -11.042 -13.707 9.617 1.00 0.00 O ATOM 0 H SER A 37 -7.649 -12.742 11.487 1.00 0.00 H new ATOM 0 HA SER A 37 -10.585 -13.140 12.134 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.847 -12.045 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.986 -13.529 9.536 1.00 0.00 H new ATOM 0 HG SER A 37 -11.143 -13.533 8.658 1.00 0.00 H new ATOM 563 N GLY A 38 -10.393 -15.615 12.237 1.00 0.00 N ATOM 564 CA GLY A 38 -10.181 -17.067 12.500 1.00 0.00 C ATOM 565 C GLY A 38 -9.380 -17.239 13.791 1.00 0.00 C ATOM 566 O GLY A 38 -9.235 -16.317 14.570 1.00 0.00 O ATOM 0 H GLY A 38 -11.342 -15.278 12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.141 -17.576 12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.649 -17.525 11.666 1.00 0.00 H new ATOM 570 N GLU A 39 -8.858 -18.412 14.024 1.00 0.00 N ATOM 571 CA GLU A 39 -8.065 -18.641 15.266 1.00 0.00 C ATOM 572 C GLU A 39 -6.649 -18.087 15.095 1.00 0.00 C ATOM 573 O GLU A 39 -6.041 -17.610 16.033 1.00 0.00 O ATOM 574 CB GLU A 39 -8.031 -20.159 15.441 1.00 0.00 C ATOM 575 CG GLU A 39 -9.461 -20.704 15.445 1.00 0.00 C ATOM 576 CD GLU A 39 -10.120 -20.395 16.790 1.00 0.00 C ATOM 577 OE1 GLU A 39 -9.413 -19.978 17.693 1.00 0.00 O ATOM 578 OE2 GLU A 39 -11.321 -20.582 16.896 1.00 0.00 O ATOM 0 H GLU A 39 -8.946 -19.221 13.409 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.499 -18.142 16.133 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.458 -20.616 14.634 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.529 -20.417 16.374 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.035 -20.255 14.635 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.452 -21.780 15.271 1.00 0.00 H new ATOM 585 N TRP A 40 -6.119 -18.149 13.905 1.00 0.00 N ATOM 586 CA TRP A 40 -4.740 -17.626 13.674 1.00 0.00 C ATOM 587 C TRP A 40 -4.803 -16.190 13.147 1.00 0.00 C ATOM 588 O TRP A 40 -5.687 -15.834 12.393 1.00 0.00 O ATOM 589 CB TRP A 40 -4.135 -18.557 12.623 1.00 0.00 C ATOM 590 CG TRP A 40 -3.748 -19.849 13.268 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.605 -20.848 13.583 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.425 -20.300 13.678 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.891 -21.882 14.162 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.543 -21.591 14.242 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.147 -19.717 13.616 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.432 -22.281 14.728 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.027 -20.408 14.103 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.168 -21.687 14.659 1.00 0.00 C ATOM 0 H TRP A 40 -6.579 -18.538 13.082 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.147 -17.604 14.588 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.854 -18.738 11.824 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.262 -18.090 12.167 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.671 -20.839 13.411 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.309 -22.753 14.490 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.027 -18.731 13.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.547 -23.267 15.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.950 -19.951 14.049 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.698 -22.213 15.033 1.00 0.00 H new ATOM 609 N TRP A 41 -3.874 -15.362 13.539 1.00 0.00 N ATOM 610 CA TRP A 41 -3.885 -13.950 13.062 1.00 0.00 C ATOM 611 C TRP A 41 -2.552 -13.601 12.396 1.00 0.00 C ATOM 612 O TRP A 41 -1.531 -14.197 12.680 1.00 0.00 O ATOM 613 CB TRP A 41 -4.081 -13.114 14.328 1.00 0.00 C ATOM 614 CG TRP A 41 -5.440 -13.371 14.893 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.504 -13.822 14.189 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.900 -13.203 16.266 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.587 -13.942 15.042 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.264 -13.571 16.333 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.272 -12.770 17.447 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.980 -13.514 17.529 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.988 -12.710 18.653 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.339 -13.081 18.694 1.00 0.00 C ATOM 0 H TRP A 41 -3.108 -15.602 14.169 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.665 -13.770 12.322 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.317 -13.365 15.064 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.966 -12.055 14.098 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.507 -14.051 13.134 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.510 -14.265 14.753 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.231 -12.482 17.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.021 -13.802 17.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.495 -12.376 19.554 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.885 -13.032 19.625 1.00 0.00 H new ATOM 633 N LYS A 42 -2.551 -12.632 11.524 1.00 0.00 N ATOM 634 CA LYS A 42 -1.282 -12.235 10.852 1.00 0.00 C ATOM 635 C LYS A 42 -0.703 -11.003 11.551 1.00 0.00 C ATOM 636 O LYS A 42 -1.428 -10.159 12.038 1.00 0.00 O ATOM 637 CB LYS A 42 -1.675 -11.905 9.412 1.00 0.00 C ATOM 638 CG LYS A 42 -0.487 -12.169 8.485 1.00 0.00 C ATOM 639 CD LYS A 42 -0.848 -11.748 7.060 1.00 0.00 C ATOM 640 CE LYS A 42 0.293 -12.121 6.112 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.375 -12.466 4.826 1.00 0.00 N ATOM 0 H LYS A 42 -3.374 -12.097 11.247 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.524 -13.018 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.528 -12.512 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.983 -10.862 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.386 -11.615 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.223 -13.226 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.770 -12.239 6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.030 -10.674 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.989 -11.292 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.868 -12.963 6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.343 -12.733 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.026 -13.263 4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.909 -11.643 4.480 1.00 0.00 H new ATOM 655 N ALA A 43 0.593 -10.891 11.614 1.00 0.00 N ATOM 656 CA ALA A 43 1.189 -9.708 12.295 1.00 0.00 C ATOM 657 C ALA A 43 2.525 -9.330 11.657 1.00 0.00 C ATOM 658 O ALA A 43 3.025 -10.010 10.783 1.00 0.00 O ATOM 659 CB ALA A 43 1.394 -10.153 13.744 1.00 0.00 C ATOM 0 H ALA A 43 1.260 -11.559 11.228 1.00 0.00 H new ATOM 0 HA ALA A 43 0.550 -8.828 12.219 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.832 -9.336 14.317 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.433 -10.428 14.180 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.063 -11.013 13.769 1.00 0.00 H new ATOM 665 N GLN A 44 3.110 -8.251 12.097 1.00 0.00 N ATOM 666 CA GLN A 44 4.419 -7.821 11.530 1.00 0.00 C ATOM 667 C GLN A 44 5.334 -7.329 12.652 1.00 0.00 C ATOM 668 O GLN A 44 4.882 -6.776 13.635 1.00 0.00 O ATOM 669 CB GLN A 44 4.086 -6.681 10.568 1.00 0.00 C ATOM 670 CG GLN A 44 5.382 -6.043 10.066 1.00 0.00 C ATOM 671 CD GLN A 44 5.056 -4.766 9.289 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.915 -4.352 9.228 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.017 -4.120 8.687 1.00 0.00 N ATOM 0 H GLN A 44 2.736 -7.646 12.828 1.00 0.00 H new ATOM 0 HA GLN A 44 4.939 -8.634 11.024 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.504 -7.059 9.727 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.471 -5.934 11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.036 -5.812 10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.920 -6.743 9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.975 -4.467 8.738 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.810 -3.268 8.166 1.00 0.00 H new ATOM 682 N SER A 45 6.616 -7.523 12.518 1.00 0.00 N ATOM 683 CA SER A 45 7.551 -7.064 13.582 1.00 0.00 C ATOM 684 C SER A 45 8.120 -5.688 13.224 1.00 0.00 C ATOM 685 O SER A 45 8.803 -5.527 12.233 1.00 0.00 O ATOM 686 CB SER A 45 8.662 -8.113 13.615 1.00 0.00 C ATOM 687 OG SER A 45 8.098 -9.393 13.857 1.00 0.00 O ATOM 0 H SER A 45 7.056 -7.979 11.719 1.00 0.00 H new ATOM 0 HA SER A 45 7.060 -6.964 14.550 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.203 -8.115 12.669 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.384 -7.869 14.394 1.00 0.00 H new ATOM 0 HG SER A 45 8.604 -9.845 14.564 1.00 0.00 H new ATOM 693 N LEU A 46 7.843 -4.695 14.025 1.00 0.00 N ATOM 694 CA LEU A 46 8.367 -3.331 13.728 1.00 0.00 C ATOM 695 C LEU A 46 9.860 -3.251 14.060 1.00 0.00 C ATOM 696 O LEU A 46 10.482 -2.218 13.916 1.00 0.00 O ATOM 697 CB LEU A 46 7.564 -2.395 14.632 1.00 0.00 C ATOM 698 CG LEU A 46 6.074 -2.534 14.313 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.275 -1.549 15.168 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.839 -2.230 12.832 1.00 0.00 C ATOM 0 H LEU A 46 7.278 -4.769 14.871 1.00 0.00 H new ATOM 0 HA LEU A 46 8.264 -3.069 12.675 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.747 -2.637 15.679 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.884 -1.364 14.483 1.00 0.00 H new ATOM 0 HG LEU A 46 5.749 -3.551 14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.214 -1.648 14.941 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.442 -1.765 16.223 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.599 -0.532 14.950 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.778 -2.329 12.604 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.164 -1.213 12.613 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.408 -2.932 12.222 1.00 0.00 H new ATOM 712 N THR A 47 10.440 -4.334 14.499 1.00 0.00 N ATOM 713 CA THR A 47 11.893 -4.318 14.835 1.00 0.00 C ATOM 714 C THR A 47 12.703 -4.916 13.682 1.00 0.00 C ATOM 715 O THR A 47 13.818 -4.513 13.418 1.00 0.00 O ATOM 716 CB THR A 47 12.021 -5.184 16.089 1.00 0.00 C ATOM 717 OG1 THR A 47 11.503 -6.479 15.822 1.00 0.00 O ATOM 718 CG2 THR A 47 11.236 -4.545 17.236 1.00 0.00 C ATOM 0 H THR A 47 9.972 -5.229 14.640 1.00 0.00 H new ATOM 0 HA THR A 47 12.270 -3.309 15.000 1.00 0.00 H new ATOM 0 HB THR A 47 13.071 -5.263 16.371 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.586 -7.036 16.624 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.328 -5.163 18.129 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.634 -3.551 17.440 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.185 -4.465 16.957 1.00 0.00 H new ATOM 726 N THR A 48 12.148 -5.876 12.992 1.00 0.00 N ATOM 727 CA THR A 48 12.883 -6.500 11.855 1.00 0.00 C ATOM 728 C THR A 48 12.225 -6.112 10.528 1.00 0.00 C ATOM 729 O THR A 48 12.799 -6.273 9.469 1.00 0.00 O ATOM 730 CB THR A 48 12.772 -8.007 12.091 1.00 0.00 C ATOM 731 OG1 THR A 48 11.440 -8.428 11.828 1.00 0.00 O ATOM 732 CG2 THR A 48 13.134 -8.328 13.541 1.00 0.00 C ATOM 0 H THR A 48 11.217 -6.255 13.167 1.00 0.00 H new ATOM 0 HA THR A 48 13.921 -6.173 11.802 1.00 0.00 H new ATOM 0 HB THR A 48 13.458 -8.531 11.425 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.367 -9.394 11.977 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.054 -9.402 13.707 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.156 -8.005 13.741 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.451 -7.806 14.211 1.00 0.00 H new ATOM 740 N GLY A 49 11.025 -5.603 10.579 1.00 0.00 N ATOM 741 CA GLY A 49 10.331 -5.205 9.321 1.00 0.00 C ATOM 742 C GLY A 49 9.885 -6.459 8.567 1.00 0.00 C ATOM 743 O GLY A 49 9.983 -6.537 7.358 1.00 0.00 O ATOM 0 H GLY A 49 10.495 -5.445 11.436 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.468 -4.580 9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.998 -4.610 8.697 1.00 0.00 H new ATOM 747 N GLN A 50 9.395 -7.443 9.271 1.00 0.00 N ATOM 748 CA GLN A 50 8.944 -8.692 8.593 1.00 0.00 C ATOM 749 C GLN A 50 7.512 -9.037 9.011 1.00 0.00 C ATOM 750 O GLN A 50 7.061 -8.669 10.077 1.00 0.00 O ATOM 751 CB GLN A 50 9.915 -9.773 9.068 1.00 0.00 C ATOM 752 CG GLN A 50 11.025 -9.954 8.032 1.00 0.00 C ATOM 753 CD GLN A 50 12.093 -10.899 8.587 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.978 -11.377 9.698 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.135 -11.188 7.857 1.00 0.00 N ATOM 0 H GLN A 50 9.288 -7.436 10.285 1.00 0.00 H new ATOM 0 HA GLN A 50 8.941 -8.593 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.344 -9.494 10.031 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.384 -10.714 9.216 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.612 -10.358 7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.470 -8.989 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.231 -10.787 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.853 -11.815 8.219 1.00 0.00 H new ATOM 764 N GLU A 51 6.797 -9.747 8.182 1.00 0.00 N ATOM 765 CA GLU A 51 5.396 -10.120 8.532 1.00 0.00 C ATOM 766 C GLU A 51 5.254 -11.644 8.562 1.00 0.00 C ATOM 767 O GLU A 51 5.860 -12.348 7.780 1.00 0.00 O ATOM 768 CB GLU A 51 4.536 -9.521 7.419 1.00 0.00 C ATOM 769 CG GLU A 51 3.058 -9.634 7.800 1.00 0.00 C ATOM 770 CD GLU A 51 2.201 -8.965 6.723 1.00 0.00 C ATOM 771 OE1 GLU A 51 2.676 -8.850 5.604 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.086 -8.582 7.034 1.00 0.00 O ATOM 0 H GLU A 51 7.122 -10.086 7.276 1.00 0.00 H new ATOM 0 HA GLU A 51 5.100 -9.752 9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.803 -8.476 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.722 -10.043 6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.777 -10.682 7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.883 -9.160 8.766 1.00 0.00 H new ATOM 779 N GLY A 52 4.462 -12.161 9.461 1.00 0.00 N ATOM 780 CA GLY A 52 4.293 -13.640 9.536 1.00 0.00 C ATOM 781 C GLY A 52 2.925 -13.979 10.133 1.00 0.00 C ATOM 782 O GLY A 52 1.988 -13.208 10.049 1.00 0.00 O ATOM 0 H GLY A 52 3.926 -11.626 10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.383 -14.076 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.084 -14.075 10.147 1.00 0.00 H new ATOM 786 N PHE A 53 2.810 -15.128 10.741 1.00 0.00 N ATOM 787 CA PHE A 53 1.510 -15.527 11.352 1.00 0.00 C ATOM 788 C PHE A 53 1.688 -15.753 12.855 1.00 0.00 C ATOM 789 O PHE A 53 2.608 -16.418 13.286 1.00 0.00 O ATOM 790 CB PHE A 53 1.127 -16.833 10.654 1.00 0.00 C ATOM 791 CG PHE A 53 0.848 -16.561 9.195 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.364 -15.975 8.812 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.801 -16.895 8.227 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.624 -15.723 7.460 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.542 -16.644 6.873 1.00 0.00 C ATOM 796 CZ PHE A 53 0.329 -16.058 6.490 1.00 0.00 C ATOM 0 H PHE A 53 3.562 -15.809 10.841 1.00 0.00 H new ATOM 0 HA PHE A 53 0.742 -14.763 11.231 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.933 -17.560 10.752 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.247 -17.267 11.129 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.099 -15.717 9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.736 -17.346 8.523 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.559 -15.270 7.165 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.277 -16.902 6.125 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.129 -15.864 5.447 1.00 0.00 H new ATOM 806 N ILE A 54 0.819 -15.203 13.657 1.00 0.00 N ATOM 807 CA ILE A 54 0.948 -15.388 15.129 1.00 0.00 C ATOM 808 C ILE A 54 -0.353 -15.942 15.714 1.00 0.00 C ATOM 809 O ILE A 54 -1.431 -15.612 15.259 1.00 0.00 O ATOM 810 CB ILE A 54 1.230 -13.989 15.681 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.076 -13.052 15.319 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.529 -13.455 15.075 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.012 -11.905 16.330 1.00 0.00 C ATOM 0 H ILE A 54 0.027 -14.635 13.357 1.00 0.00 H new ATOM 0 HA ILE A 54 1.736 -16.096 15.386 1.00 0.00 H new ATOM 0 HB ILE A 54 1.328 -14.041 16.765 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.217 -12.657 14.313 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.865 -13.602 15.317 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.731 -12.458 15.468 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.352 -14.121 15.334 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.431 -13.405 13.991 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.810 -11.238 16.072 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.149 -12.309 17.329 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.950 -11.350 16.310 1.00 0.00 H new ATOM 825 N PRO A 55 -0.205 -16.768 16.713 1.00 0.00 N ATOM 826 CA PRO A 55 -1.413 -17.352 17.350 1.00 0.00 C ATOM 827 C PRO A 55 -2.043 -16.332 18.301 1.00 0.00 C ATOM 828 O PRO A 55 -1.373 -15.478 18.844 1.00 0.00 O ATOM 829 CB PRO A 55 -0.884 -18.559 18.115 1.00 0.00 C ATOM 830 CG PRO A 55 0.551 -18.243 18.375 1.00 0.00 C ATOM 831 CD PRO A 55 1.023 -17.395 17.225 1.00 0.00 C ATOM 0 HA PRO A 55 -2.186 -17.628 16.633 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.431 -18.709 19.046 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.989 -19.474 17.532 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.665 -17.712 19.320 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.141 -19.157 18.450 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.746 -16.647 17.552 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.512 -17.998 16.460 1.00 0.00 H new ATOM 839 N PHE A 56 -3.329 -16.408 18.497 1.00 0.00 N ATOM 840 CA PHE A 56 -4.004 -15.433 19.401 1.00 0.00 C ATOM 841 C PHE A 56 -3.636 -15.695 20.866 1.00 0.00 C ATOM 842 O PHE A 56 -4.030 -14.960 21.748 1.00 0.00 O ATOM 843 CB PHE A 56 -5.500 -15.661 19.177 1.00 0.00 C ATOM 844 CG PHE A 56 -5.917 -16.960 19.825 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.780 -18.167 19.128 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.444 -16.957 21.121 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.167 -19.371 19.730 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.833 -18.160 21.722 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.694 -19.367 21.027 1.00 0.00 C ATOM 0 H PHE A 56 -3.943 -17.102 18.071 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.704 -14.407 19.187 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.071 -14.833 19.597 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.718 -15.689 18.109 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.376 -18.169 18.126 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.551 -16.026 21.658 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.059 -20.302 19.194 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.240 -18.157 22.722 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.993 -20.295 21.491 1.00 0.00 H new ATOM 859 N ASN A 57 -2.900 -16.740 21.142 1.00 0.00 N ATOM 860 CA ASN A 57 -2.537 -17.032 22.561 1.00 0.00 C ATOM 861 C ASN A 57 -1.131 -16.517 22.893 1.00 0.00 C ATOM 862 O ASN A 57 -0.825 -16.230 24.033 1.00 0.00 O ATOM 863 CB ASN A 57 -2.585 -18.556 22.670 1.00 0.00 C ATOM 864 CG ASN A 57 -4.030 -19.005 22.905 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.824 -18.270 23.455 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.404 -20.191 22.507 1.00 0.00 N ATOM 0 H ASN A 57 -2.537 -17.399 20.453 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.214 -16.541 23.260 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.196 -19.009 21.758 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.950 -18.893 23.490 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.364 -20.500 22.658 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.736 -20.808 22.045 1.00 0.00 H new ATOM 873 N PHE A 58 -0.269 -16.400 21.918 1.00 0.00 N ATOM 874 CA PHE A 58 1.110 -15.905 22.210 1.00 0.00 C ATOM 875 C PHE A 58 1.138 -14.375 22.208 1.00 0.00 C ATOM 876 O PHE A 58 2.147 -13.763 22.497 1.00 0.00 O ATOM 877 CB PHE A 58 1.991 -16.456 21.087 1.00 0.00 C ATOM 878 CG PHE A 58 2.200 -17.940 21.288 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.104 -18.810 21.297 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.494 -18.444 21.468 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.301 -20.184 21.484 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.691 -19.817 21.656 1.00 0.00 C ATOM 883 CZ PHE A 58 2.594 -20.687 21.663 1.00 0.00 C ATOM 0 H PHE A 58 -0.456 -16.623 20.941 1.00 0.00 H new ATOM 0 HA PHE A 58 1.457 -16.230 23.191 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.523 -16.272 20.120 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.952 -15.941 21.079 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.106 -18.422 21.160 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.340 -17.773 21.462 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.455 -20.855 21.490 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.689 -20.205 21.796 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.746 -21.747 21.807 1.00 0.00 H new ATOM 893 N VAL A 59 0.039 -13.752 21.887 1.00 0.00 N ATOM 894 CA VAL A 59 0.005 -12.262 21.870 1.00 0.00 C ATOM 895 C VAL A 59 -1.231 -11.755 22.619 1.00 0.00 C ATOM 896 O VAL A 59 -2.306 -12.312 22.509 1.00 0.00 O ATOM 897 CB VAL A 59 -0.071 -11.884 20.391 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.189 -12.375 19.673 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.304 -12.534 19.760 1.00 0.00 C ATOM 0 H VAL A 59 -0.837 -14.209 21.636 1.00 0.00 H new ATOM 0 HA VAL A 59 0.875 -11.822 22.358 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.144 -10.801 20.297 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.135 -12.106 18.618 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.067 -11.911 20.122 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.263 -13.458 19.767 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.358 -12.264 18.705 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.232 -13.618 19.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.201 -12.184 20.270 1.00 0.00 H new ATOM 909 N ALA A 60 -1.087 -10.706 23.382 1.00 0.00 N ATOM 910 CA ALA A 60 -2.256 -10.170 24.137 1.00 0.00 C ATOM 911 C ALA A 60 -2.384 -8.660 23.920 1.00 0.00 C ATOM 912 O ALA A 60 -1.406 -7.963 23.743 1.00 0.00 O ATOM 913 CB ALA A 60 -1.952 -10.477 25.604 1.00 0.00 C ATOM 0 H ALA A 60 -0.213 -10.198 23.515 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.196 -10.616 23.812 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.768 -10.113 26.229 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.847 -11.554 25.736 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.025 -9.983 25.894 1.00 0.00 H new ATOM 919 N LYS A 61 -3.586 -8.151 23.935 1.00 0.00 N ATOM 920 CA LYS A 61 -3.779 -6.686 23.731 1.00 0.00 C ATOM 921 C LYS A 61 -2.893 -5.897 24.699 1.00 0.00 C ATOM 922 O LYS A 61 -2.898 -6.131 25.891 1.00 0.00 O ATOM 923 CB LYS A 61 -5.257 -6.436 24.034 1.00 0.00 C ATOM 924 CG LYS A 61 -5.624 -5.003 23.644 1.00 0.00 C ATOM 925 CD LYS A 61 -7.093 -4.743 23.984 1.00 0.00 C ATOM 926 CE LYS A 61 -7.491 -3.350 23.491 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.263 -2.753 24.618 1.00 0.00 N ATOM 0 H LYS A 61 -4.443 -8.686 24.080 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.510 -6.370 22.723 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.877 -7.144 23.483 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.454 -6.597 25.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.986 -4.296 24.174 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.453 -4.850 22.578 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.725 -5.500 23.519 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.247 -4.817 25.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.613 -2.750 23.251 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.095 -3.408 22.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.572 -1.795 24.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.096 -3.343 24.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.660 -2.704 25.464 1.00 0.00 H new ATOM 941 N ALA A 62 -2.131 -4.965 24.196 1.00 0.00 N ATOM 942 CA ALA A 62 -1.246 -4.163 25.088 1.00 0.00 C ATOM 943 C ALA A 62 -2.088 -3.300 26.032 1.00 0.00 C ATOM 944 O ALA A 62 -3.093 -2.739 25.645 1.00 0.00 O ATOM 945 CB ALA A 62 -0.425 -3.283 24.147 1.00 0.00 C ATOM 0 H ALA A 62 -2.083 -4.724 23.206 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.612 -4.792 25.713 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.253 -2.660 24.730 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.152 -3.913 23.470 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.094 -2.646 23.568 1.00 0.00 H new ATOM 951 N ASN A 63 -1.685 -3.189 27.269 1.00 0.00 N ATOM 952 CA ASN A 63 -2.463 -2.362 28.236 1.00 0.00 C ATOM 953 C ASN A 63 -1.942 -0.923 28.240 1.00 0.00 C ATOM 954 O ASN A 63 -2.038 -0.276 27.210 1.00 0.00 O ATOM 955 CB ASN A 63 -2.231 -3.022 29.596 1.00 0.00 C ATOM 956 CG ASN A 63 -2.769 -4.454 29.567 1.00 0.00 C ATOM 957 OD1 ASN A 63 -3.609 -4.783 28.754 1.00 0.00 O ATOM 958 ND2 ASN A 63 -2.316 -5.325 30.427 1.00 0.00 N ATOM 959 OXT ASN A 63 -1.456 -0.493 29.273 1.00 0.00 O ATOM 0 H ASN A 63 -0.851 -3.635 27.652 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.522 -2.314 27.982 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.167 -3.027 29.833 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.730 -2.451 30.379 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.667 -6.282 30.416 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.610 -5.048 31.110 1.00 0.00 H new TER 966 ASN A 63