USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 848 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 63 GLN :FLIP amide:sc= -2.79 F(o=-4.6!,f=-2.8) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.00108 USER MOD Set 2.1: A 56 SER OG : rot -71:sc= 1.19 USER MOD Set 2.2: A 100 TYR OH : rot -130:sc= -2.49! USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= -1.8 F(o=-5.6!,f=-2.5) USER MOD Set 3.2: A 41 SER OG : rot 180:sc= -0.745 USER MOD Set 4.1: A 17 ASN : amide:sc= -0.031 X(o=-4.1,f=-4.1) USER MOD Set 4.2: A 22 GLN : amide:sc= -4.07! C(o=-4.1!,f=-7.3!) USER MOD Single : A 26 GLN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 32 TYR OH : rot -40:sc= -4.21! USER MOD Single : A 36 SER OG : rot 176:sc= 0.733 USER MOD Single : A 37 ASN : amide:sc= -6.39! C(o=-6.4!,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 177:sc= 1.54 USER MOD Single : A 49 SER OG : rot 180:sc= -0.466 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 65:sc= 1.05 USER MOD Single : A 75 SER OG : rot 180:sc= -0.644 USER MOD Single : A 79 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -5.73! C(o=-8.3!,f=-5.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 176:sc= 0.666 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -58:sc= 0.035 USER MOD Single : A 101 SER OG : rot 180:sc= -3! USER MOD Single : A 106 ASN : amide:sc=-0.000663 X(o=-0.00066,f=0.073) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.668 F(o=-1.8!,f=-0.67) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 44:sc= 1.01 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -15.252 7.944 17.230 1.00 0.00 N ATOM 2 CA GLY A 9 -14.113 8.010 18.190 1.00 0.00 C ATOM 3 C GLY A 9 -13.121 9.078 17.729 1.00 0.00 C ATOM 4 O GLY A 9 -13.267 10.246 18.029 1.00 0.00 O ATOM 0 HA2 GLY A 9 -14.479 8.245 19.190 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.618 7.041 18.251 1.00 0.00 H new ATOM 7 N ALA A 10 -12.110 8.688 17.000 1.00 0.00 N ATOM 8 CA ALA A 10 -11.110 9.682 16.520 1.00 0.00 C ATOM 9 C ALA A 10 -9.994 8.960 15.761 1.00 0.00 C ATOM 10 O ALA A 10 -9.783 7.778 15.945 1.00 0.00 O ATOM 11 CB ALA A 10 -10.514 10.423 17.719 1.00 0.00 C ATOM 0 H ALA A 10 -11.934 7.724 16.717 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.597 10.396 15.855 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.782 11.151 17.370 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.308 10.938 18.260 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.027 9.709 18.383 1.00 0.00 H new ATOM 17 N PRO A 11 -9.312 9.702 14.927 1.00 0.00 N ATOM 18 CA PRO A 11 -8.186 9.184 14.096 1.00 0.00 C ATOM 19 C PRO A 11 -6.891 9.140 14.914 1.00 0.00 C ATOM 20 O PRO A 11 -6.405 10.153 15.377 1.00 0.00 O ATOM 21 CB PRO A 11 -8.087 10.214 12.977 1.00 0.00 C ATOM 22 CG PRO A 11 -8.688 11.512 13.509 1.00 0.00 C ATOM 23 CD PRO A 11 -9.576 11.159 14.705 1.00 0.00 C ATOM 0 HA PRO A 11 -8.345 8.169 13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.049 10.363 12.681 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.625 9.874 12.092 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.900 12.203 13.809 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.271 12.009 12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.318 11.751 15.583 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.628 11.347 14.492 1.00 0.00 H new ATOM 31 N VAL A 12 -6.329 7.976 15.095 1.00 0.00 N ATOM 32 CA VAL A 12 -5.081 7.861 15.874 1.00 0.00 C ATOM 33 C VAL A 12 -4.013 7.274 14.952 1.00 0.00 C ATOM 34 O VAL A 12 -4.326 6.489 14.088 1.00 0.00 O ATOM 35 CB VAL A 12 -5.342 6.898 17.032 1.00 0.00 C ATOM 36 CG1 VAL A 12 -4.025 6.557 17.709 1.00 0.00 C ATOM 37 CG2 VAL A 12 -6.309 7.515 18.057 1.00 0.00 C ATOM 0 H VAL A 12 -6.691 7.095 14.729 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.753 8.827 16.259 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.801 5.993 16.634 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.208 5.870 18.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.356 6.087 16.988 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.565 7.469 18.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.477 6.809 18.870 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.878 8.433 18.457 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.258 7.742 17.571 1.00 0.00 H new ATOM 47 N PRO A 13 -2.786 7.671 15.146 1.00 0.00 N ATOM 48 CA PRO A 13 -1.651 7.187 14.315 1.00 0.00 C ATOM 49 C PRO A 13 -1.154 5.832 14.813 1.00 0.00 C ATOM 50 O PRO A 13 -1.290 5.490 15.972 1.00 0.00 O ATOM 51 CB PRO A 13 -0.599 8.269 14.508 1.00 0.00 C ATOM 52 CG PRO A 13 -0.906 8.960 15.835 1.00 0.00 C ATOM 53 CD PRO A 13 -2.360 8.640 16.205 1.00 0.00 C ATOM 0 HA PRO A 13 -1.914 7.033 13.268 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.401 7.836 14.521 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.626 8.984 13.686 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.228 8.610 16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.762 10.037 15.747 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.434 8.204 17.201 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.981 9.536 16.203 1.00 0.00 H new ATOM 61 N VAL A 14 -0.588 5.055 13.937 1.00 0.00 N ATOM 62 CA VAL A 14 -0.085 3.713 14.337 1.00 0.00 C ATOM 63 C VAL A 14 1.188 3.868 15.167 1.00 0.00 C ATOM 64 O VAL A 14 1.809 4.912 15.189 1.00 0.00 O ATOM 65 CB VAL A 14 0.210 2.889 13.072 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.552 3.313 12.465 1.00 0.00 C ATOM 67 CG2 VAL A 14 0.261 1.406 13.427 1.00 0.00 C ATOM 0 H VAL A 14 -0.451 5.292 12.955 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.837 3.201 14.937 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.582 3.065 12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.749 2.723 11.570 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.514 4.370 12.201 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.348 3.148 13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.470 0.824 12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.047 1.235 14.162 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.698 1.098 13.844 1.00 0.00 H new ATOM 77 N ASP A 15 1.571 2.833 15.854 1.00 0.00 N ATOM 78 CA ASP A 15 2.802 2.908 16.696 1.00 0.00 C ATOM 79 C ASP A 15 3.195 1.510 17.173 1.00 0.00 C ATOM 80 O ASP A 15 2.502 0.541 16.940 1.00 0.00 O ATOM 81 CB ASP A 15 2.557 3.808 17.920 1.00 0.00 C ATOM 82 CG ASP A 15 1.075 4.183 18.022 1.00 0.00 C ATOM 83 OD1 ASP A 15 0.336 3.434 18.639 1.00 0.00 O ATOM 84 OD2 ASP A 15 0.705 5.211 17.479 1.00 0.00 O ATOM 0 H ASP A 15 1.087 1.935 15.872 1.00 0.00 H new ATOM 0 HA ASP A 15 3.607 3.329 16.094 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.871 3.292 18.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.162 4.711 17.842 1.00 0.00 H new ATOM 89 N GLU A 16 4.306 1.410 17.846 1.00 0.00 N ATOM 90 CA GLU A 16 4.766 0.084 18.356 1.00 0.00 C ATOM 91 C GLU A 16 5.082 -0.854 17.184 1.00 0.00 C ATOM 92 O GLU A 16 4.589 -1.962 17.119 1.00 0.00 O ATOM 93 CB GLU A 16 3.665 -0.539 19.216 1.00 0.00 C ATOM 94 CG GLU A 16 3.243 0.450 20.305 1.00 0.00 C ATOM 95 CD GLU A 16 2.141 -0.173 21.163 1.00 0.00 C ATOM 96 OE1 GLU A 16 2.475 -0.897 22.088 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.982 0.084 20.882 1.00 0.00 O ATOM 0 H GLU A 16 4.921 2.193 18.067 1.00 0.00 H new ATOM 0 HA GLU A 16 5.667 0.227 18.952 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.808 -0.799 18.595 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.023 -1.464 19.669 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.100 0.709 20.927 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.886 1.375 19.852 1.00 0.00 H new ATOM 104 N ASN A 17 5.902 -0.424 16.259 1.00 0.00 N ATOM 105 CA ASN A 17 6.248 -1.298 15.099 1.00 0.00 C ATOM 106 C ASN A 17 5.096 -1.315 14.088 1.00 0.00 C ATOM 107 O ASN A 17 5.224 -1.849 13.004 1.00 0.00 O ATOM 108 CB ASN A 17 6.511 -2.721 15.596 1.00 0.00 C ATOM 109 CG ASN A 17 7.385 -3.462 14.584 1.00 0.00 C ATOM 110 OD1 ASN A 17 6.944 -4.405 13.958 1.00 0.00 O ATOM 111 ND2 ASN A 17 8.616 -3.072 14.393 1.00 0.00 N ATOM 0 H ASN A 17 6.346 0.494 16.257 1.00 0.00 H new ATOM 0 HA ASN A 17 7.141 -0.906 14.612 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.005 -2.693 16.567 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.568 -3.250 15.734 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.206 -3.559 13.719 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.987 -2.280 14.918 1.00 0.00 H new ATOM 118 N ASP A 18 3.978 -0.733 14.431 1.00 0.00 N ATOM 119 CA ASP A 18 2.817 -0.711 13.494 1.00 0.00 C ATOM 120 C ASP A 18 2.692 -2.056 12.781 1.00 0.00 C ATOM 121 O ASP A 18 2.986 -2.181 11.609 1.00 0.00 O ATOM 122 CB ASP A 18 3.012 0.402 12.462 1.00 0.00 C ATOM 123 CG ASP A 18 4.444 0.358 11.926 1.00 0.00 C ATOM 124 OD1 ASP A 18 5.308 0.947 12.553 1.00 0.00 O ATOM 125 OD2 ASP A 18 4.652 -0.263 10.897 1.00 0.00 O ATOM 0 H ASP A 18 3.818 -0.269 15.325 1.00 0.00 H new ATOM 0 HA ASP A 18 1.905 -0.525 14.062 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.302 0.281 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.812 1.372 12.916 1.00 0.00 H new ATOM 130 N GLU A 19 2.249 -3.062 13.479 1.00 0.00 N ATOM 131 CA GLU A 19 2.096 -4.399 12.834 1.00 0.00 C ATOM 132 C GLU A 19 0.784 -4.436 12.043 1.00 0.00 C ATOM 133 O GLU A 19 0.728 -4.950 10.944 1.00 0.00 O ATOM 134 CB GLU A 19 2.095 -5.504 13.898 1.00 0.00 C ATOM 135 CG GLU A 19 1.311 -5.048 15.132 1.00 0.00 C ATOM 136 CD GLU A 19 2.288 -4.700 16.255 1.00 0.00 C ATOM 137 OE1 GLU A 19 2.680 -5.603 16.975 1.00 0.00 O ATOM 138 OE2 GLU A 19 2.629 -3.534 16.377 1.00 0.00 O ATOM 0 H GLU A 19 1.987 -3.020 14.464 1.00 0.00 H new ATOM 0 HA GLU A 19 2.934 -4.567 12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.650 -6.412 13.490 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.119 -5.750 14.179 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.698 -4.181 14.887 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.632 -5.837 15.457 1.00 0.00 H new ATOM 145 N GLY A 20 -0.271 -3.886 12.585 1.00 0.00 N ATOM 146 CA GLY A 20 -1.566 -3.887 11.851 1.00 0.00 C ATOM 147 C GLY A 20 -1.434 -3.001 10.611 1.00 0.00 C ATOM 148 O GLY A 20 -1.839 -3.370 9.526 1.00 0.00 O ATOM 0 H GLY A 20 -0.290 -3.438 13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.834 -4.903 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.364 -3.518 12.495 1.00 0.00 H new ATOM 152 N LEU A 21 -0.864 -1.835 10.761 1.00 0.00 N ATOM 153 CA LEU A 21 -0.700 -0.932 9.590 1.00 0.00 C ATOM 154 C LEU A 21 0.275 -1.564 8.596 1.00 0.00 C ATOM 155 O LEU A 21 0.192 -1.335 7.406 1.00 0.00 O ATOM 156 CB LEU A 21 -0.158 0.418 10.061 1.00 0.00 C ATOM 157 CG LEU A 21 0.234 1.266 8.849 1.00 0.00 C ATOM 158 CD1 LEU A 21 -1.031 1.770 8.149 1.00 0.00 C ATOM 159 CD2 LEU A 21 1.072 2.459 9.310 1.00 0.00 C ATOM 0 H LEU A 21 -0.506 -1.471 11.644 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.664 -0.782 9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.912 0.938 10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.707 0.268 10.708 1.00 0.00 H new ATOM 0 HG LEU A 21 0.817 0.660 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.753 2.374 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.628 0.920 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.614 2.376 8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.351 3.063 8.447 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.490 3.066 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.973 2.100 9.808 1.00 0.00 H new ATOM 171 N GLN A 22 1.200 -2.364 9.064 1.00 0.00 N ATOM 172 CA GLN A 22 2.163 -3.003 8.123 1.00 0.00 C ATOM 173 C GLN A 22 1.419 -4.002 7.242 1.00 0.00 C ATOM 174 O GLN A 22 1.572 -4.019 6.036 1.00 0.00 O ATOM 175 CB GLN A 22 3.266 -3.721 8.900 1.00 0.00 C ATOM 176 CG GLN A 22 4.348 -2.717 9.299 1.00 0.00 C ATOM 177 CD GLN A 22 5.303 -3.365 10.303 1.00 0.00 C ATOM 178 OE1 GLN A 22 4.953 -3.565 11.449 1.00 0.00 O ATOM 179 NE2 GLN A 22 6.504 -3.704 9.919 1.00 0.00 N ATOM 0 H GLN A 22 1.328 -2.599 10.048 1.00 0.00 H new ATOM 0 HA GLN A 22 2.619 -2.233 7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.849 -4.195 9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.698 -4.514 8.289 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.898 -2.390 8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.891 -1.829 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.798 -3.536 8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.148 -4.137 10.581 1.00 0.00 H new ATOM 188 N ARG A 23 0.596 -4.824 7.828 1.00 0.00 N ATOM 189 CA ARG A 23 -0.171 -5.802 7.012 1.00 0.00 C ATOM 190 C ARG A 23 -1.128 -5.019 6.116 1.00 0.00 C ATOM 191 O ARG A 23 -1.566 -5.488 5.082 1.00 0.00 O ATOM 192 CB ARG A 23 -0.964 -6.732 7.932 1.00 0.00 C ATOM 193 CG ARG A 23 -0.218 -8.060 8.079 1.00 0.00 C ATOM 194 CD ARG A 23 0.756 -7.970 9.255 1.00 0.00 C ATOM 195 NE ARG A 23 1.334 -9.317 9.525 1.00 0.00 N ATOM 196 CZ ARG A 23 2.447 -9.678 8.946 1.00 0.00 C ATOM 197 NH1 ARG A 23 3.489 -8.896 8.992 1.00 0.00 N ATOM 198 NH2 ARG A 23 2.515 -10.822 8.321 1.00 0.00 N ATOM 0 H ARG A 23 0.422 -4.861 8.832 1.00 0.00 H new ATOM 0 HA ARG A 23 0.505 -6.406 6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.098 -6.267 8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.959 -6.905 7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.927 -8.872 8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.323 -8.289 7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.551 -7.260 9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.240 -7.600 10.141 1.00 0.00 H new ATOM 0 HE ARG A 23 0.860 -9.957 10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.435 -8.002 9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.359 -9.178 8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.699 -11.433 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.384 -11.105 7.868 1.00 0.00 H new ATOM 212 N ALA A 24 -1.443 -3.814 6.510 1.00 0.00 N ATOM 213 CA ALA A 24 -2.358 -2.971 5.697 1.00 0.00 C ATOM 214 C ALA A 24 -1.647 -2.559 4.410 1.00 0.00 C ATOM 215 O ALA A 24 -2.157 -2.730 3.316 1.00 0.00 O ATOM 216 CB ALA A 24 -2.743 -1.721 6.491 1.00 0.00 C ATOM 0 H ALA A 24 -1.102 -3.377 7.366 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.259 -3.535 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.414 -1.103 5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.245 -2.016 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.845 -1.152 6.732 1.00 0.00 H new ATOM 222 N LEU A 25 -0.464 -2.021 4.531 1.00 0.00 N ATOM 223 CA LEU A 25 0.288 -1.601 3.337 1.00 0.00 C ATOM 224 C LEU A 25 0.539 -2.805 2.441 1.00 0.00 C ATOM 225 O LEU A 25 0.481 -2.719 1.241 1.00 0.00 O ATOM 226 CB LEU A 25 1.606 -1.013 3.806 1.00 0.00 C ATOM 227 CG LEU A 25 2.510 -0.733 2.603 1.00 0.00 C ATOM 228 CD1 LEU A 25 3.270 0.576 2.831 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.508 -1.881 2.436 1.00 0.00 C ATOM 0 H LEU A 25 0.010 -1.857 5.419 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.273 -0.861 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.426 -0.091 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.099 -1.704 4.490 1.00 0.00 H new ATOM 0 HG LEU A 25 1.902 -0.648 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.914 0.777 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.559 1.394 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.879 0.491 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.152 -1.682 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.117 -1.967 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.967 -2.813 2.274 1.00 0.00 H new ATOM 241 N GLN A 26 0.824 -3.929 3.013 1.00 0.00 N ATOM 242 CA GLN A 26 1.082 -5.132 2.171 1.00 0.00 C ATOM 243 C GLN A 26 -0.200 -5.551 1.443 1.00 0.00 C ATOM 244 O GLN A 26 -0.156 -6.179 0.402 1.00 0.00 O ATOM 245 CB GLN A 26 1.573 -6.281 3.053 1.00 0.00 C ATOM 246 CG GLN A 26 3.005 -5.996 3.510 1.00 0.00 C ATOM 247 CD GLN A 26 3.651 -7.291 4.003 1.00 0.00 C ATOM 248 OE1 GLN A 26 4.063 -7.384 5.143 1.00 0.00 O ATOM 249 NE2 GLN A 26 3.758 -8.304 3.188 1.00 0.00 N ATOM 0 H GLN A 26 0.891 -4.075 4.020 1.00 0.00 H new ATOM 0 HA GLN A 26 1.846 -4.890 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.920 -6.395 3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.536 -7.220 2.500 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.584 -5.579 2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.002 -5.252 4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.413 -8.227 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.187 -9.173 3.508 1.00 0.00 H new ATOM 258 N PHE A 27 -1.338 -5.213 1.979 1.00 0.00 N ATOM 259 CA PHE A 27 -2.623 -5.590 1.323 1.00 0.00 C ATOM 260 C PHE A 27 -2.859 -4.730 0.088 1.00 0.00 C ATOM 261 O PHE A 27 -3.034 -5.217 -1.016 1.00 0.00 O ATOM 262 CB PHE A 27 -3.744 -5.343 2.317 1.00 0.00 C ATOM 263 CG PHE A 27 -5.046 -5.942 1.844 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.143 -6.553 0.589 1.00 0.00 C ATOM 265 CD2 PHE A 27 -6.172 -5.867 2.674 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.365 -7.088 0.167 1.00 0.00 C ATOM 267 CE2 PHE A 27 -7.392 -6.398 2.251 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.491 -7.009 0.998 1.00 0.00 C ATOM 0 H PHE A 27 -1.435 -4.689 2.848 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.589 -6.636 1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.476 -5.771 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.869 -4.271 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.276 -6.612 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.096 -5.397 3.644 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.441 -7.562 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.259 -6.337 2.892 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.434 -7.420 0.670 1.00 0.00 H new ATOM 278 N ALA A 28 -2.873 -3.450 0.273 1.00 0.00 N ATOM 279 CA ALA A 28 -3.114 -2.532 -0.874 1.00 0.00 C ATOM 280 C ALA A 28 -1.903 -2.524 -1.806 1.00 0.00 C ATOM 281 O ALA A 28 -2.031 -2.697 -3.000 1.00 0.00 O ATOM 282 CB ALA A 28 -3.363 -1.128 -0.348 1.00 0.00 C ATOM 0 H ALA A 28 -2.728 -2.991 1.172 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.985 -2.876 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.540 -0.452 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.236 -1.134 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.492 -0.790 0.213 1.00 0.00 H new ATOM 288 N ILE A 29 -0.731 -2.318 -1.279 1.00 0.00 N ATOM 289 CA ILE A 29 0.481 -2.307 -2.147 1.00 0.00 C ATOM 290 C ILE A 29 0.491 -3.595 -2.959 1.00 0.00 C ATOM 291 O ILE A 29 0.747 -3.603 -4.146 1.00 0.00 O ATOM 292 CB ILE A 29 1.748 -2.201 -1.264 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.743 -1.231 -1.878 1.00 0.00 C ATOM 294 CG2 ILE A 29 2.438 -3.547 -1.123 1.00 0.00 C ATOM 295 CD1 ILE A 29 1.983 -0.040 -2.392 1.00 0.00 C ATOM 0 H ILE A 29 -0.558 -2.157 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 29 0.468 -1.451 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 29 1.425 -1.850 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.479 -0.921 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.291 -1.711 -2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.324 -3.438 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.754 -4.260 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.732 -3.910 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.679 0.671 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.264 -0.364 -3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.455 0.438 -1.567 1.00 0.00 H new ATOM 307 N ALA A 30 0.193 -4.684 -2.319 1.00 0.00 N ATOM 308 CA ALA A 30 0.147 -5.973 -3.047 1.00 0.00 C ATOM 309 C ALA A 30 -0.769 -5.762 -4.244 1.00 0.00 C ATOM 310 O ALA A 30 -0.498 -6.193 -5.353 1.00 0.00 O ATOM 311 CB ALA A 30 -0.434 -7.060 -2.139 1.00 0.00 C ATOM 0 H ALA A 30 -0.021 -4.737 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 30 1.143 -6.286 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.466 -8.006 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.193 -7.168 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.443 -6.781 -1.837 1.00 0.00 H new ATOM 317 N GLU A 31 -1.855 -5.075 -4.017 1.00 0.00 N ATOM 318 CA GLU A 31 -2.806 -4.796 -5.120 1.00 0.00 C ATOM 319 C GLU A 31 -2.146 -3.894 -6.160 1.00 0.00 C ATOM 320 O GLU A 31 -2.423 -4.001 -7.339 1.00 0.00 O ATOM 321 CB GLU A 31 -4.055 -4.110 -4.565 1.00 0.00 C ATOM 322 CG GLU A 31 -4.553 -4.870 -3.335 1.00 0.00 C ATOM 323 CD GLU A 31 -5.771 -5.715 -3.715 1.00 0.00 C ATOM 324 OE1 GLU A 31 -5.771 -6.261 -4.805 1.00 0.00 O ATOM 325 OE2 GLU A 31 -6.681 -5.802 -2.907 1.00 0.00 O ATOM 0 H GLU A 31 -2.122 -4.695 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.090 -5.737 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.828 -3.077 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.834 -4.079 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.761 -5.509 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.816 -4.169 -2.543 1.00 0.00 H new ATOM 332 N TYR A 32 -1.272 -3.008 -5.758 1.00 0.00 N ATOM 333 CA TYR A 32 -0.625 -2.138 -6.762 1.00 0.00 C ATOM 334 C TYR A 32 0.171 -3.015 -7.728 1.00 0.00 C ATOM 335 O TYR A 32 0.119 -2.847 -8.932 1.00 0.00 O ATOM 336 CB TYR A 32 0.307 -1.166 -6.061 1.00 0.00 C ATOM 337 CG TYR A 32 0.316 0.138 -6.814 1.00 0.00 C ATOM 338 CD1 TYR A 32 0.490 0.162 -8.203 1.00 0.00 C ATOM 339 CD2 TYR A 32 0.144 1.332 -6.113 1.00 0.00 C ATOM 340 CE1 TYR A 32 0.492 1.378 -8.878 1.00 0.00 C ATOM 341 CE2 TYR A 32 0.148 2.545 -6.785 1.00 0.00 C ATOM 342 CZ TYR A 32 0.323 2.576 -8.173 1.00 0.00 C ATOM 343 OH TYR A 32 0.328 3.781 -8.843 1.00 0.00 O ATOM 0 H TYR A 32 -0.987 -2.856 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.378 -1.574 -7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.021 -1.005 -5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.314 -1.579 -6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.622 -0.761 -8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.007 1.311 -5.042 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.624 1.398 -9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.016 3.466 -6.237 1.00 0.00 H new ATOM 0 HH TYR A 32 1.018 3.766 -9.539 1.00 0.00 H new ATOM 353 N ASN A 33 0.904 -3.960 -7.203 1.00 0.00 N ATOM 354 CA ASN A 33 1.704 -4.864 -8.075 1.00 0.00 C ATOM 355 C ASN A 33 0.770 -5.598 -9.040 1.00 0.00 C ATOM 356 O ASN A 33 0.968 -5.581 -10.238 1.00 0.00 O ATOM 357 CB ASN A 33 2.446 -5.885 -7.211 1.00 0.00 C ATOM 358 CG ASN A 33 3.029 -6.981 -8.105 1.00 0.00 C ATOM 359 OD1 ASN A 33 3.242 -6.731 -9.368 1.00 0.00 O flip ATOM 360 ND2 ASN A 33 3.294 -8.076 -7.649 1.00 0.00 N flip ATOM 0 H ASN A 33 0.982 -4.144 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 33 2.426 -4.276 -8.642 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.243 -5.394 -6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.766 -6.321 -6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.127 -8.271 -6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.683 -8.800 -8.253 1.00 0.00 H new ATOM 367 N ARG A 34 -0.249 -6.242 -8.533 1.00 0.00 N ATOM 368 CA ARG A 34 -1.183 -6.968 -9.440 1.00 0.00 C ATOM 369 C ARG A 34 -1.941 -5.953 -10.299 1.00 0.00 C ATOM 370 O ARG A 34 -2.581 -6.302 -11.271 1.00 0.00 O ATOM 371 CB ARG A 34 -2.172 -7.806 -8.617 1.00 0.00 C ATOM 372 CG ARG A 34 -1.437 -9.001 -8.004 1.00 0.00 C ATOM 373 CD ARG A 34 -1.051 -8.678 -6.558 1.00 0.00 C ATOM 374 NE ARG A 34 -0.547 -9.914 -5.893 1.00 0.00 N ATOM 375 CZ ARG A 34 -0.078 -9.855 -4.676 1.00 0.00 C ATOM 376 NH1 ARG A 34 0.792 -8.936 -4.357 1.00 0.00 N ATOM 377 NH2 ARG A 34 -0.478 -10.716 -3.781 1.00 0.00 N ATOM 0 H ARG A 34 -0.473 -6.296 -7.539 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.615 -7.637 -10.086 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.617 -7.196 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.988 -8.153 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.073 -9.886 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.545 -9.230 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.285 -7.903 -6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.913 -8.287 -6.018 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.569 -10.805 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.105 -8.265 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.159 -8.889 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.157 -11.435 -4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.112 -10.670 -2.830 1.00 0.00 H new ATOM 391 N ALA A 35 -1.877 -4.697 -9.943 1.00 0.00 N ATOM 392 CA ALA A 35 -2.598 -3.654 -10.731 1.00 0.00 C ATOM 393 C ALA A 35 -1.744 -3.204 -11.923 1.00 0.00 C ATOM 394 O ALA A 35 -2.227 -2.556 -12.830 1.00 0.00 O ATOM 395 CB ALA A 35 -2.891 -2.450 -9.837 1.00 0.00 C ATOM 0 H ALA A 35 -1.356 -4.348 -9.139 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.532 -4.076 -11.101 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.417 -1.689 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.511 -2.763 -8.997 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.954 -2.038 -9.463 1.00 0.00 H new ATOM 401 N SER A 36 -0.483 -3.535 -11.930 1.00 0.00 N ATOM 402 CA SER A 36 0.391 -3.115 -13.065 1.00 0.00 C ATOM 403 C SER A 36 -0.309 -3.418 -14.393 1.00 0.00 C ATOM 404 O SER A 36 -0.468 -2.550 -15.227 1.00 0.00 O ATOM 405 CB SER A 36 1.714 -3.881 -13.000 1.00 0.00 C ATOM 406 OG SER A 36 2.288 -3.945 -14.297 1.00 0.00 O ATOM 0 H SER A 36 -0.019 -4.077 -11.201 1.00 0.00 H new ATOM 0 HA SER A 36 0.585 -2.045 -12.995 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.399 -3.387 -12.311 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.546 -4.887 -12.615 1.00 0.00 H new ATOM 0 HG SER A 36 3.167 -4.376 -14.245 1.00 0.00 H new ATOM 412 N ASN A 37 -0.724 -4.646 -14.588 1.00 0.00 N ATOM 413 CA ASN A 37 -1.417 -5.031 -15.858 1.00 0.00 C ATOM 414 C ASN A 37 -0.386 -5.372 -16.930 1.00 0.00 C ATOM 415 O ASN A 37 -0.444 -6.412 -17.557 1.00 0.00 O ATOM 416 CB ASN A 37 -2.306 -3.885 -16.347 1.00 0.00 C ATOM 417 CG ASN A 37 -3.042 -3.267 -15.157 1.00 0.00 C ATOM 418 OD1 ASN A 37 -3.450 -3.965 -14.250 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.234 -1.976 -15.122 1.00 0.00 N ATOM 0 H ASN A 37 -0.611 -5.405 -13.916 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.040 -5.904 -15.664 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.701 -3.129 -16.846 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.023 -4.254 -17.080 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.726 -1.555 -14.334 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.892 -1.389 -15.883 1.00 0.00 H new ATOM 426 N ASP A 38 0.554 -4.506 -17.145 1.00 0.00 N ATOM 427 CA ASP A 38 1.592 -4.757 -18.166 1.00 0.00 C ATOM 428 C ASP A 38 2.445 -5.957 -17.742 1.00 0.00 C ATOM 429 O ASP A 38 2.006 -7.088 -17.800 1.00 0.00 O ATOM 430 CB ASP A 38 2.437 -3.495 -18.266 1.00 0.00 C ATOM 431 CG ASP A 38 3.575 -3.704 -19.269 1.00 0.00 C ATOM 432 OD1 ASP A 38 3.872 -4.849 -19.568 1.00 0.00 O ATOM 433 OD2 ASP A 38 4.131 -2.715 -19.718 1.00 0.00 O ATOM 0 H ASP A 38 0.647 -3.621 -16.647 1.00 0.00 H new ATOM 0 HA ASP A 38 1.152 -4.989 -19.136 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.816 -2.655 -18.578 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.846 -3.243 -17.287 1.00 0.00 H new ATOM 438 N LYS A 39 3.657 -5.729 -17.306 1.00 0.00 N ATOM 439 CA LYS A 39 4.513 -6.873 -16.876 1.00 0.00 C ATOM 440 C LYS A 39 5.225 -6.512 -15.576 1.00 0.00 C ATOM 441 O LYS A 39 4.954 -7.072 -14.533 1.00 0.00 O ATOM 442 CB LYS A 39 5.543 -7.188 -17.962 1.00 0.00 C ATOM 443 CG LYS A 39 4.820 -7.539 -19.265 1.00 0.00 C ATOM 444 CD LYS A 39 5.278 -8.916 -19.750 1.00 0.00 C ATOM 445 CE LYS A 39 6.711 -8.821 -20.277 1.00 0.00 C ATOM 446 NZ LYS A 39 6.982 -9.967 -21.192 1.00 0.00 N ATOM 0 H LYS A 39 4.088 -4.808 -17.230 1.00 0.00 H new ATOM 0 HA LYS A 39 3.889 -7.752 -16.715 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.198 -6.331 -18.117 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.175 -8.019 -17.649 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.742 -7.538 -19.106 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.031 -6.786 -20.024 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.227 -9.636 -18.934 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.614 -9.276 -20.535 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.854 -7.878 -20.806 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.417 -8.831 -19.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.956 -9.902 -21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.862 -10.861 -20.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.317 -9.938 -21.991 1.00 0.00 H new ATOM 460 N TYR A 40 6.126 -5.578 -15.648 1.00 0.00 N ATOM 461 CA TYR A 40 6.872 -5.118 -14.428 1.00 0.00 C ATOM 462 C TYR A 40 5.852 -4.839 -13.312 1.00 0.00 C ATOM 463 O TYR A 40 4.697 -5.198 -13.406 1.00 0.00 O ATOM 464 CB TYR A 40 7.606 -3.808 -14.758 1.00 0.00 C ATOM 465 CG TYR A 40 6.570 -2.865 -15.274 1.00 0.00 C ATOM 466 CD1 TYR A 40 5.742 -2.186 -14.376 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.389 -2.722 -16.644 1.00 0.00 C ATOM 468 CE1 TYR A 40 4.729 -1.363 -14.857 1.00 0.00 C ATOM 469 CE2 TYR A 40 5.386 -1.894 -17.131 1.00 0.00 C ATOM 470 CZ TYR A 40 4.545 -1.212 -16.239 1.00 0.00 C ATOM 471 OH TYR A 40 3.542 -0.396 -16.718 1.00 0.00 O ATOM 0 H TYR A 40 6.388 -5.101 -16.511 1.00 0.00 H new ATOM 0 HA TYR A 40 7.586 -5.879 -14.113 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.094 -3.402 -13.872 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.384 -3.975 -15.502 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.888 -2.300 -13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.029 -3.255 -17.331 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.084 -0.840 -14.166 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.253 -1.775 -18.196 1.00 0.00 H new ATOM 0 HH TYR A 40 3.554 -0.403 -17.698 1.00 0.00 H new ATOM 481 N SER A 41 6.255 -4.194 -12.258 1.00 0.00 N ATOM 482 CA SER A 41 5.278 -3.916 -11.161 1.00 0.00 C ATOM 483 C SER A 41 5.461 -2.501 -10.599 1.00 0.00 C ATOM 484 O SER A 41 6.422 -1.811 -10.900 1.00 0.00 O ATOM 485 CB SER A 41 5.482 -4.933 -10.036 1.00 0.00 C ATOM 486 OG SER A 41 4.853 -4.463 -8.853 1.00 0.00 O ATOM 0 H SER A 41 7.203 -3.849 -12.104 1.00 0.00 H new ATOM 0 HA SER A 41 4.271 -3.996 -11.570 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.065 -5.898 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.546 -5.086 -9.858 1.00 0.00 H new ATOM 0 HG SER A 41 4.982 -5.115 -8.133 1.00 0.00 H new ATOM 492 N SER A 42 4.536 -2.077 -9.768 1.00 0.00 N ATOM 493 CA SER A 42 4.624 -0.722 -9.150 1.00 0.00 C ATOM 494 C SER A 42 5.195 -0.865 -7.733 1.00 0.00 C ATOM 495 O SER A 42 4.545 -1.391 -6.852 1.00 0.00 O ATOM 496 CB SER A 42 3.229 -0.097 -9.060 1.00 0.00 C ATOM 497 OG SER A 42 2.432 -0.553 -10.143 1.00 0.00 O ATOM 0 H SER A 42 3.718 -2.620 -9.492 1.00 0.00 H new ATOM 0 HA SER A 42 5.265 -0.085 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.760 -0.364 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.304 0.990 -9.083 1.00 0.00 H new ATOM 0 HG SER A 42 1.525 -0.191 -10.057 1.00 0.00 H new ATOM 503 N ARG A 43 6.397 -0.414 -7.497 1.00 0.00 N ATOM 504 CA ARG A 43 6.974 -0.553 -6.123 1.00 0.00 C ATOM 505 C ARG A 43 6.788 0.744 -5.340 1.00 0.00 C ATOM 506 O ARG A 43 6.000 1.587 -5.699 1.00 0.00 O ATOM 507 CB ARG A 43 8.465 -0.883 -6.225 1.00 0.00 C ATOM 508 CG ARG A 43 8.797 -2.027 -5.266 1.00 0.00 C ATOM 509 CD ARG A 43 9.917 -1.592 -4.321 1.00 0.00 C ATOM 510 NE ARG A 43 10.970 -2.645 -4.282 1.00 0.00 N ATOM 511 CZ ARG A 43 10.657 -3.870 -3.960 1.00 0.00 C ATOM 512 NH1 ARG A 43 9.750 -4.093 -3.048 1.00 0.00 N ATOM 513 NH2 ARG A 43 11.248 -4.871 -4.550 1.00 0.00 N ATOM 0 H ARG A 43 7.000 0.039 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 43 6.457 -1.358 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.717 -1.165 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.061 -0.004 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.912 -2.305 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.103 -2.909 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.344 -0.647 -4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.519 -1.424 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 43 11.936 -2.408 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.286 -3.310 -2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.505 -5.050 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.956 -4.697 -5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.003 -5.828 -4.298 1.00 0.00 H new ATOM 527 N VAL A 44 7.490 0.881 -4.249 1.00 0.00 N ATOM 528 CA VAL A 44 7.341 2.100 -3.402 1.00 0.00 C ATOM 529 C VAL A 44 7.943 3.331 -4.088 1.00 0.00 C ATOM 530 O VAL A 44 8.498 3.242 -5.153 1.00 0.00 O ATOM 531 CB VAL A 44 7.974 1.827 -2.035 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.995 2.906 -1.657 1.00 0.00 C ATOM 533 CG2 VAL A 44 6.860 1.777 -0.986 1.00 0.00 C ATOM 0 H VAL A 44 8.165 0.197 -3.905 1.00 0.00 H new ATOM 0 HA VAL A 44 6.284 2.324 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 44 8.506 0.876 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.422 2.677 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.789 2.933 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.501 3.877 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.293 1.583 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.334 2.731 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.159 0.981 -1.237 1.00 0.00 H new ATOM 543 N VAL A 45 7.790 4.483 -3.480 1.00 0.00 N ATOM 544 CA VAL A 45 8.294 5.753 -4.096 1.00 0.00 C ATOM 545 C VAL A 45 7.974 7.034 -3.248 1.00 0.00 C ATOM 546 O VAL A 45 8.875 7.683 -2.755 1.00 0.00 O ATOM 547 CB VAL A 45 7.643 5.818 -5.473 1.00 0.00 C ATOM 548 CG1 VAL A 45 7.229 7.214 -5.875 1.00 0.00 C ATOM 549 CG2 VAL A 45 8.641 5.342 -6.476 1.00 0.00 C ATOM 0 H VAL A 45 7.334 4.599 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 45 9.383 5.740 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 45 6.744 5.202 -5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.773 7.187 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.509 7.602 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.106 7.861 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.201 5.378 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.522 5.983 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.930 4.317 -6.244 1.00 0.00 H new ATOM 559 N ARG A 46 6.716 7.414 -3.092 1.00 0.00 N ATOM 560 CA ARG A 46 6.380 8.678 -2.288 1.00 0.00 C ATOM 561 C ARG A 46 5.274 8.436 -1.208 1.00 0.00 C ATOM 562 O ARG A 46 4.093 8.480 -1.489 1.00 0.00 O ATOM 563 CB ARG A 46 5.901 9.764 -3.253 1.00 0.00 C ATOM 564 CG ARG A 46 6.822 10.981 -3.145 1.00 0.00 C ATOM 565 CD ARG A 46 7.018 11.599 -4.530 1.00 0.00 C ATOM 566 NE ARG A 46 5.914 12.560 -4.809 1.00 0.00 N ATOM 567 CZ ARG A 46 5.815 13.665 -4.119 1.00 0.00 C ATOM 568 NH1 ARG A 46 6.709 13.955 -3.213 1.00 0.00 N ATOM 569 NH2 ARG A 46 4.819 14.480 -4.337 1.00 0.00 N ATOM 0 H ARG A 46 5.910 6.920 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 46 7.286 8.981 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.900 9.384 -4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.875 10.048 -3.018 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.392 11.716 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.785 10.686 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.980 12.110 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.034 10.817 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 46 5.234 12.355 -5.541 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.487 13.318 -3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.629 14.818 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.120 14.254 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.739 15.343 -3.800 1.00 0.00 H new ATOM 583 N VAL A 47 5.679 8.159 0.026 1.00 0.00 N ATOM 584 CA VAL A 47 4.710 7.874 1.146 1.00 0.00 C ATOM 585 C VAL A 47 4.230 9.183 1.793 1.00 0.00 C ATOM 586 O VAL A 47 4.920 10.181 1.754 1.00 0.00 O ATOM 587 CB VAL A 47 5.419 6.999 2.180 1.00 0.00 C ATOM 588 CG1 VAL A 47 6.104 7.876 3.209 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.395 6.101 2.876 1.00 0.00 C ATOM 0 H VAL A 47 6.660 8.119 0.303 1.00 0.00 H new ATOM 0 HA VAL A 47 3.834 7.357 0.755 1.00 0.00 H new ATOM 0 HB VAL A 47 6.165 6.382 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.608 7.249 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.836 8.514 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.361 8.497 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.900 5.477 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.648 6.719 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.906 5.466 2.137 1.00 0.00 H new ATOM 599 N ILE A 48 3.056 9.201 2.387 1.00 0.00 N ATOM 600 CA ILE A 48 2.585 10.455 3.011 1.00 0.00 C ATOM 601 C ILE A 48 2.187 10.202 4.479 1.00 0.00 C ATOM 602 O ILE A 48 2.366 11.066 5.315 1.00 0.00 O ATOM 603 CB ILE A 48 1.398 10.961 2.196 1.00 0.00 C ATOM 604 CG1 ILE A 48 1.908 11.837 1.048 1.00 0.00 C ATOM 605 CG2 ILE A 48 0.439 11.776 3.070 1.00 0.00 C ATOM 606 CD1 ILE A 48 1.745 11.092 -0.280 1.00 0.00 C ATOM 0 H ILE A 48 2.421 8.406 2.460 1.00 0.00 H new ATOM 0 HA ILE A 48 3.375 11.206 3.016 1.00 0.00 H new ATOM 0 HB ILE A 48 0.858 10.101 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.354 12.776 1.020 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.956 12.090 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.398 12.125 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.065 11.151 3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.967 12.633 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.109 11.718 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.318 10.165 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.692 10.862 -0.441 1.00 0.00 H new ATOM 618 N SER A 49 1.659 9.036 4.812 1.00 0.00 N ATOM 619 CA SER A 49 1.272 8.781 6.242 1.00 0.00 C ATOM 620 C SER A 49 0.241 7.657 6.341 1.00 0.00 C ATOM 621 O SER A 49 -0.377 7.265 5.372 1.00 0.00 O ATOM 622 CB SER A 49 0.663 10.050 6.847 1.00 0.00 C ATOM 623 OG SER A 49 -0.159 9.699 7.951 1.00 0.00 O ATOM 0 H SER A 49 1.484 8.266 4.166 1.00 0.00 H new ATOM 0 HA SER A 49 2.172 8.491 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.453 10.728 7.169 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.076 10.579 6.096 1.00 0.00 H new ATOM 0 HG SER A 49 -0.548 10.510 8.340 1.00 0.00 H new ATOM 629 N ALA A 50 0.056 7.148 7.530 1.00 0.00 N ATOM 630 CA ALA A 50 -0.936 6.052 7.749 1.00 0.00 C ATOM 631 C ALA A 50 -1.592 6.222 9.128 1.00 0.00 C ATOM 632 O ALA A 50 -0.973 6.693 10.062 1.00 0.00 O ATOM 633 CB ALA A 50 -0.224 4.697 7.690 1.00 0.00 C ATOM 0 H ALA A 50 0.554 7.447 8.368 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.700 6.096 6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.948 3.898 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.243 4.573 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.541 4.654 8.465 1.00 0.00 H new ATOM 639 N LYS A 51 -2.838 5.844 9.264 1.00 0.00 N ATOM 640 CA LYS A 51 -3.530 5.987 10.581 1.00 0.00 C ATOM 641 C LYS A 51 -4.654 4.959 10.681 1.00 0.00 C ATOM 642 O LYS A 51 -5.092 4.401 9.694 1.00 0.00 O ATOM 643 CB LYS A 51 -4.112 7.396 10.703 1.00 0.00 C ATOM 644 CG LYS A 51 -2.971 8.411 10.801 1.00 0.00 C ATOM 645 CD LYS A 51 -3.548 9.828 10.823 1.00 0.00 C ATOM 646 CE LYS A 51 -2.595 10.779 10.095 1.00 0.00 C ATOM 647 NZ LYS A 51 -2.995 12.188 10.367 1.00 0.00 N ATOM 0 H LYS A 51 -3.407 5.442 8.519 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.814 5.820 11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.738 7.619 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.750 7.463 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.387 8.231 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.294 8.296 9.955 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.527 9.841 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.692 10.158 11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.571 10.610 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.618 10.584 9.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.348 12.834 9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.966 12.345 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.951 12.370 11.390 1.00 0.00 H new ATOM 661 N ARG A 52 -5.119 4.700 11.872 1.00 0.00 N ATOM 662 CA ARG A 52 -6.208 3.695 12.036 1.00 0.00 C ATOM 663 C ARG A 52 -7.360 4.277 12.874 1.00 0.00 C ATOM 664 O ARG A 52 -7.310 4.290 14.088 1.00 0.00 O ATOM 665 CB ARG A 52 -5.643 2.449 12.706 1.00 0.00 C ATOM 666 CG ARG A 52 -4.886 1.613 11.672 1.00 0.00 C ATOM 667 CD ARG A 52 -3.897 0.691 12.386 1.00 0.00 C ATOM 668 NE ARG A 52 -3.193 1.453 13.456 1.00 0.00 N ATOM 669 CZ ARG A 52 -2.977 0.897 14.617 1.00 0.00 C ATOM 670 NH1 ARG A 52 -2.939 -0.403 14.720 1.00 0.00 N ATOM 671 NH2 ARG A 52 -2.799 1.642 15.674 1.00 0.00 N ATOM 0 H ARG A 52 -4.795 5.138 12.734 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.604 3.432 11.055 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.976 2.732 13.520 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.450 1.861 13.145 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.587 1.024 11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.355 2.266 10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.423 -0.161 12.817 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.175 0.292 11.673 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.880 2.408 13.281 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.078 -0.984 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.770 -0.838 15.627 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.829 2.658 15.593 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.630 1.208 16.581 1.00 0.00 H new ATOM 685 N GLN A 53 -8.396 4.761 12.230 1.00 0.00 N ATOM 686 CA GLN A 53 -9.555 5.347 12.975 1.00 0.00 C ATOM 687 C GLN A 53 -10.183 4.290 13.889 1.00 0.00 C ATOM 688 O GLN A 53 -9.965 3.104 13.722 1.00 0.00 O ATOM 689 CB GLN A 53 -10.605 5.836 11.975 1.00 0.00 C ATOM 690 CG GLN A 53 -10.553 7.362 11.883 1.00 0.00 C ATOM 691 CD GLN A 53 -10.473 7.782 10.415 1.00 0.00 C ATOM 692 OE1 GLN A 53 -9.397 7.946 9.875 1.00 0.00 O ATOM 693 NE2 GLN A 53 -11.576 7.966 9.741 1.00 0.00 N ATOM 0 H GLN A 53 -8.488 4.775 11.214 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.203 6.181 13.582 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.421 5.396 10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.598 5.514 12.288 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.438 7.795 12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.688 7.741 12.428 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.479 7.828 10.194 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.534 8.247 8.761 1.00 0.00 H new ATOM 702 N LEU A 54 -10.958 4.713 14.858 1.00 0.00 N ATOM 703 CA LEU A 54 -11.590 3.735 15.792 1.00 0.00 C ATOM 704 C LEU A 54 -13.119 3.884 15.798 1.00 0.00 C ATOM 705 O LEU A 54 -13.684 4.565 16.630 1.00 0.00 O ATOM 706 CB LEU A 54 -11.057 3.976 17.206 1.00 0.00 C ATOM 707 CG LEU A 54 -10.081 2.859 17.581 1.00 0.00 C ATOM 708 CD1 LEU A 54 -8.733 3.466 17.969 1.00 0.00 C ATOM 709 CD2 LEU A 54 -10.644 2.066 18.763 1.00 0.00 C ATOM 0 H LEU A 54 -11.179 5.692 15.041 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.342 2.728 15.457 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.557 4.943 17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.883 4.006 17.917 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.946 2.194 16.728 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.039 2.669 18.236 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.332 4.030 17.127 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.866 4.132 18.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.949 1.270 19.031 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.780 2.731 19.616 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.604 1.631 18.485 1.00 0.00 H new ATOM 721 N VAL A 55 -13.790 3.221 14.895 1.00 0.00 N ATOM 722 CA VAL A 55 -15.279 3.280 14.860 1.00 0.00 C ATOM 723 C VAL A 55 -15.793 1.864 15.163 1.00 0.00 C ATOM 724 O VAL A 55 -15.169 1.149 15.921 1.00 0.00 O ATOM 725 CB VAL A 55 -15.735 3.753 13.472 1.00 0.00 C ATOM 726 CG1 VAL A 55 -15.648 2.601 12.468 1.00 0.00 C ATOM 727 CG2 VAL A 55 -17.174 4.269 13.547 1.00 0.00 C ATOM 0 H VAL A 55 -13.366 2.636 14.174 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.674 3.982 15.594 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.081 4.560 13.141 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.974 2.948 11.487 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.618 2.250 12.405 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.290 1.784 12.796 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.493 4.603 12.560 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.830 3.468 13.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.225 5.103 14.247 1.00 0.00 H new ATOM 737 N SER A 56 -16.900 1.438 14.592 1.00 0.00 N ATOM 738 CA SER A 56 -17.391 0.045 14.875 1.00 0.00 C ATOM 739 C SER A 56 -16.186 -0.899 14.959 1.00 0.00 C ATOM 740 O SER A 56 -16.165 -1.848 15.716 1.00 0.00 O ATOM 741 CB SER A 56 -18.323 -0.415 13.750 1.00 0.00 C ATOM 742 OG SER A 56 -17.553 -0.995 12.707 1.00 0.00 O ATOM 0 H SER A 56 -17.477 1.984 13.952 1.00 0.00 H new ATOM 0 HA SER A 56 -17.938 0.034 15.818 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.042 -1.139 14.132 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.895 0.431 13.368 1.00 0.00 H new ATOM 0 HG SER A 56 -17.047 -0.294 12.246 1.00 0.00 H new ATOM 748 N GLY A 57 -15.175 -0.597 14.202 1.00 0.00 N ATOM 749 CA GLY A 57 -13.920 -1.395 14.211 1.00 0.00 C ATOM 750 C GLY A 57 -12.792 -0.400 13.943 1.00 0.00 C ATOM 751 O GLY A 57 -12.753 0.654 14.544 1.00 0.00 O ATOM 0 H GLY A 57 -15.165 0.193 13.557 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.781 -1.895 15.170 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.945 -2.172 13.447 1.00 0.00 H new ATOM 755 N ILE A 58 -11.891 -0.671 13.039 1.00 0.00 N ATOM 756 CA ILE A 58 -10.839 0.344 12.782 1.00 0.00 C ATOM 757 C ILE A 58 -10.780 0.668 11.305 1.00 0.00 C ATOM 758 O ILE A 58 -10.809 -0.202 10.461 1.00 0.00 O ATOM 759 CB ILE A 58 -9.472 -0.166 13.193 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.468 -0.467 14.680 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.427 0.895 12.880 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.977 -1.884 14.864 1.00 0.00 C ATOM 0 H ILE A 58 -11.839 -1.525 12.484 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.094 1.229 13.366 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.240 -1.078 12.643 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.462 -0.366 15.088 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.102 0.240 15.215 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.442 0.533 13.174 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.432 1.106 11.811 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.658 1.807 13.431 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.986 -2.132 15.925 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.988 -1.962 14.464 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.323 -2.577 14.335 1.00 0.00 H new ATOM 774 N LYS A 59 -10.633 1.909 10.989 1.00 0.00 N ATOM 775 CA LYS A 59 -10.494 2.281 9.570 1.00 0.00 C ATOM 776 C LYS A 59 -9.009 2.496 9.352 1.00 0.00 C ATOM 777 O LYS A 59 -8.314 2.944 10.232 1.00 0.00 O ATOM 778 CB LYS A 59 -11.270 3.565 9.270 1.00 0.00 C ATOM 779 CG LYS A 59 -12.481 3.663 10.201 1.00 0.00 C ATOM 780 CD LYS A 59 -13.705 4.111 9.401 1.00 0.00 C ATOM 781 CE LYS A 59 -13.585 5.600 9.072 1.00 0.00 C ATOM 782 NZ LYS A 59 -14.934 6.146 8.752 1.00 0.00 N ATOM 0 H LYS A 59 -10.603 2.684 11.651 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.894 1.510 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.624 4.432 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.597 3.570 8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.673 2.697 10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.279 4.372 11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.784 3.530 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.614 3.927 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.154 6.137 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.912 5.744 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.855 7.158 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.328 5.640 7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.562 6.021 9.571 1.00 0.00 H new ATOM 796 N TYR A 60 -8.506 2.152 8.221 1.00 0.00 N ATOM 797 CA TYR A 60 -7.050 2.310 7.992 1.00 0.00 C ATOM 798 C TYR A 60 -6.806 3.300 6.867 1.00 0.00 C ATOM 799 O TYR A 60 -6.833 2.946 5.707 1.00 0.00 O ATOM 800 CB TYR A 60 -6.461 0.965 7.609 1.00 0.00 C ATOM 801 CG TYR A 60 -6.272 0.104 8.847 1.00 0.00 C ATOM 802 CD1 TYR A 60 -7.385 -0.340 9.579 1.00 0.00 C ATOM 803 CD2 TYR A 60 -4.982 -0.274 9.256 1.00 0.00 C ATOM 804 CE1 TYR A 60 -7.208 -1.147 10.705 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.811 -1.084 10.380 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.922 -1.521 11.106 1.00 0.00 C ATOM 807 OH TYR A 60 -5.751 -2.323 12.217 1.00 0.00 O ATOM 0 H TYR A 60 -9.034 1.767 7.438 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.579 2.680 8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.119 0.459 6.902 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.504 1.108 7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.380 -0.057 9.270 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.120 0.063 8.699 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.067 -1.483 11.267 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.818 -1.374 10.689 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.795 -2.489 12.356 1.00 0.00 H new ATOM 817 N ILE A 61 -6.528 4.530 7.181 1.00 0.00 N ATOM 818 CA ILE A 61 -6.249 5.479 6.094 1.00 0.00 C ATOM 819 C ILE A 61 -4.790 5.298 5.743 1.00 0.00 C ATOM 820 O ILE A 61 -3.941 5.185 6.598 1.00 0.00 O ATOM 821 CB ILE A 61 -6.479 6.906 6.542 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.512 6.952 7.672 1.00 0.00 C ATOM 823 CG2 ILE A 61 -6.972 7.741 5.361 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.778 6.205 7.242 1.00 0.00 C ATOM 0 H ILE A 61 -6.484 4.908 8.128 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.907 5.292 5.246 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.538 7.314 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.100 6.500 8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.753 7.987 7.916 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.137 8.768 5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.224 7.727 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.907 7.324 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.512 6.239 8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.194 6.677 6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.530 5.167 7.020 1.00 0.00 H new ATOM 836 N LEU A 62 -4.503 5.191 4.509 1.00 0.00 N ATOM 837 CA LEU A 62 -3.140 4.931 4.092 1.00 0.00 C ATOM 838 C LEU A 62 -2.755 5.839 2.946 1.00 0.00 C ATOM 839 O LEU A 62 -3.489 6.017 1.998 1.00 0.00 O ATOM 840 CB LEU A 62 -3.186 3.532 3.565 1.00 0.00 C ATOM 841 CG LEU A 62 -1.866 2.793 3.657 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.734 3.715 3.284 1.00 0.00 C ATOM 843 CD2 LEU A 62 -1.671 2.268 5.060 1.00 0.00 C ATOM 0 H LEU A 62 -5.177 5.276 3.749 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.431 5.085 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.943 2.973 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.504 3.558 2.523 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.876 1.952 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.211 3.177 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.876 4.071 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.718 4.565 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.721 1.737 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.667 3.101 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.484 1.586 5.310 1.00 0.00 H new ATOM 855 N GLN A 63 -1.577 6.320 2.972 1.00 0.00 N ATOM 856 CA GLN A 63 -1.077 7.088 1.860 1.00 0.00 C ATOM 857 C GLN A 63 0.096 6.280 1.455 1.00 0.00 C ATOM 858 O GLN A 63 0.626 5.541 2.254 1.00 0.00 O ATOM 859 CB GLN A 63 -0.648 8.469 2.270 1.00 0.00 C ATOM 860 CG GLN A 63 -1.747 9.156 3.085 1.00 0.00 C ATOM 861 CD GLN A 63 -3.110 8.914 2.432 1.00 0.00 C ATOM 862 OE1 GLN A 63 -4.058 8.342 3.121 1.00 0.00 O flip ATOM 863 NE2 GLN A 63 -3.313 9.250 1.281 1.00 0.00 N flip ATOM 0 H GLN A 63 -0.922 6.206 3.746 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.818 7.250 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.267 8.411 2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.420 9.062 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.749 8.771 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.549 10.226 3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.572 9.697 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.225 9.084 0.855 1.00 0.00 H new ATOM 872 N VAL A 64 0.536 6.378 0.281 1.00 0.00 N ATOM 873 CA VAL A 64 1.691 5.522 -0.032 1.00 0.00 C ATOM 874 C VAL A 64 2.540 6.071 -1.115 1.00 0.00 C ATOM 875 O VAL A 64 2.237 7.039 -1.788 1.00 0.00 O ATOM 876 CB VAL A 64 1.294 4.061 -0.374 1.00 0.00 C ATOM 877 CG1 VAL A 64 0.744 3.382 0.867 1.00 0.00 C ATOM 878 CG2 VAL A 64 0.239 4.002 -1.457 1.00 0.00 C ATOM 0 H VAL A 64 0.181 6.979 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 64 2.274 5.508 0.889 1.00 0.00 H new ATOM 0 HB VAL A 64 2.190 3.554 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.465 2.356 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.505 3.378 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.134 3.924 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.010 2.962 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.655 4.529 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.621 4.473 -2.363 1.00 0.00 H new ATOM 888 N GLU A 65 3.629 5.426 -1.241 1.00 0.00 N ATOM 889 CA GLU A 65 4.632 5.794 -2.196 1.00 0.00 C ATOM 890 C GLU A 65 4.633 4.776 -3.325 1.00 0.00 C ATOM 891 O GLU A 65 4.682 3.586 -3.084 1.00 0.00 O ATOM 892 CB GLU A 65 5.989 5.750 -1.450 1.00 0.00 C ATOM 893 CG GLU A 65 5.965 4.753 -0.285 1.00 0.00 C ATOM 894 CD GLU A 65 7.333 4.725 0.397 1.00 0.00 C ATOM 895 OE1 GLU A 65 8.216 5.431 -0.063 1.00 0.00 O ATOM 896 OE2 GLU A 65 7.476 3.998 1.366 1.00 0.00 O ATOM 0 H GLU A 65 3.869 4.609 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 65 4.449 6.783 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.779 5.474 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.229 6.744 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.196 5.036 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.709 3.758 -0.650 1.00 0.00 H new ATOM 903 N ILE A 66 4.544 5.202 -4.555 1.00 0.00 N ATOM 904 CA ILE A 66 4.508 4.207 -5.622 1.00 0.00 C ATOM 905 C ILE A 66 5.071 4.739 -6.941 1.00 0.00 C ATOM 906 O ILE A 66 4.857 5.868 -7.343 1.00 0.00 O ATOM 907 CB ILE A 66 3.057 3.812 -5.879 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.093 4.777 -5.167 1.00 0.00 C ATOM 909 CG2 ILE A 66 2.800 2.378 -5.413 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.844 4.314 -3.736 1.00 0.00 C ATOM 0 H ILE A 66 4.496 6.178 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 66 5.118 3.365 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 66 2.877 3.871 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.512 5.783 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.149 4.826 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.760 2.114 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.453 1.696 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.003 2.301 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.160 5.006 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.405 3.316 -3.748 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.788 4.289 -3.192 1.00 0.00 H new ATOM 922 N GLY A 67 5.747 3.869 -7.624 1.00 0.00 N ATOM 923 CA GLY A 67 6.318 4.173 -8.961 1.00 0.00 C ATOM 924 C GLY A 67 6.488 2.833 -9.707 1.00 0.00 C ATOM 925 O GLY A 67 5.903 1.834 -9.320 1.00 0.00 O ATOM 0 H GLY A 67 5.935 2.921 -7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.659 4.840 -9.517 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.277 4.681 -8.862 1.00 0.00 H new ATOM 929 N ARG A 68 7.266 2.773 -10.763 1.00 0.00 N ATOM 930 CA ARG A 68 7.390 1.471 -11.487 1.00 0.00 C ATOM 931 C ARG A 68 8.684 0.744 -11.123 1.00 0.00 C ATOM 932 O ARG A 68 9.557 1.288 -10.503 1.00 0.00 O ATOM 933 CB ARG A 68 7.376 1.734 -12.995 1.00 0.00 C ATOM 934 CG ARG A 68 5.930 1.809 -13.486 1.00 0.00 C ATOM 935 CD ARG A 68 5.587 3.253 -13.852 1.00 0.00 C ATOM 936 NE ARG A 68 4.175 3.323 -14.321 1.00 0.00 N ATOM 937 CZ ARG A 68 3.866 4.059 -15.354 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.480 3.876 -16.491 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.946 4.976 -15.249 1.00 0.00 N ATOM 0 H ARG A 68 7.807 3.548 -11.146 1.00 0.00 H new ATOM 0 HA ARG A 68 6.550 0.840 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.896 2.666 -13.217 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.908 0.940 -13.518 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.796 1.162 -14.353 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.253 1.449 -12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.727 3.902 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.259 3.611 -14.632 1.00 0.00 H new ATOM 0 HE ARG A 68 3.449 2.796 -13.835 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.200 3.158 -16.572 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.239 4.450 -17.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.467 5.119 -14.360 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.705 5.551 -16.056 1.00 0.00 H new ATOM 953 N THR A 69 8.790 -0.488 -11.542 1.00 0.00 N ATOM 954 CA THR A 69 10.005 -1.318 -11.293 1.00 0.00 C ATOM 955 C THR A 69 10.024 -2.417 -12.352 1.00 0.00 C ATOM 956 O THR A 69 9.456 -3.472 -12.167 1.00 0.00 O ATOM 957 CB THR A 69 9.980 -1.909 -9.886 1.00 0.00 C ATOM 958 OG1 THR A 69 11.054 -2.828 -9.744 1.00 0.00 O ATOM 959 CG2 THR A 69 8.659 -2.621 -9.600 1.00 0.00 C ATOM 0 H THR A 69 8.059 -0.970 -12.065 1.00 0.00 H new ATOM 0 HA THR A 69 10.907 -0.710 -11.360 1.00 0.00 H new ATOM 0 HB THR A 69 10.084 -1.092 -9.172 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.042 -3.208 -8.841 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.677 -3.029 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.836 -1.912 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.520 -3.431 -10.316 1.00 0.00 H new ATOM 967 N THR A 70 10.631 -2.124 -13.489 1.00 0.00 N ATOM 968 CA THR A 70 10.672 -3.093 -14.640 1.00 0.00 C ATOM 969 C THR A 70 10.610 -4.559 -14.161 1.00 0.00 C ATOM 970 O THR A 70 9.580 -5.029 -13.724 1.00 0.00 O ATOM 971 CB THR A 70 11.938 -2.858 -15.491 1.00 0.00 C ATOM 972 OG1 THR A 70 12.084 -3.926 -16.415 1.00 0.00 O ATOM 973 CG2 THR A 70 13.196 -2.774 -14.614 1.00 0.00 C ATOM 0 H THR A 70 11.106 -1.239 -13.668 1.00 0.00 H new ATOM 0 HA THR A 70 9.790 -2.913 -15.254 1.00 0.00 H new ATOM 0 HB THR A 70 11.825 -1.910 -16.017 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.886 -3.780 -16.959 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.069 -2.608 -15.245 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.095 -1.948 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.318 -3.707 -14.063 1.00 0.00 H new ATOM 981 N CYS A 71 11.682 -5.306 -14.259 1.00 0.00 N ATOM 982 CA CYS A 71 11.623 -6.730 -13.814 1.00 0.00 C ATOM 983 C CYS A 71 10.336 -7.375 -14.339 1.00 0.00 C ATOM 984 O CYS A 71 9.487 -7.774 -13.568 1.00 0.00 O ATOM 985 CB CYS A 71 11.612 -6.772 -12.286 1.00 0.00 C ATOM 986 SG CYS A 71 12.430 -8.277 -11.706 1.00 0.00 S ATOM 0 H CYS A 71 12.583 -4.996 -14.623 1.00 0.00 H new ATOM 0 HA CYS A 71 12.488 -7.271 -14.198 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.120 -5.894 -11.886 1.00 0.00 H new ATOM 0 HB3 CYS A 71 10.586 -6.741 -11.920 1.00 0.00 H new ATOM 991 N PRO A 72 10.227 -7.444 -15.638 1.00 0.00 N ATOM 992 CA PRO A 72 9.038 -8.022 -16.329 1.00 0.00 C ATOM 993 C PRO A 72 9.151 -9.558 -16.402 1.00 0.00 C ATOM 994 O PRO A 72 10.021 -10.140 -15.787 1.00 0.00 O ATOM 995 CB PRO A 72 9.117 -7.390 -17.715 1.00 0.00 C ATOM 996 CG PRO A 72 10.575 -7.003 -17.952 1.00 0.00 C ATOM 997 CD PRO A 72 11.272 -6.956 -16.588 1.00 0.00 C ATOM 0 HA PRO A 72 8.093 -7.823 -15.824 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.776 -8.091 -18.477 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.472 -6.514 -17.776 1.00 0.00 H new ATOM 0 HG2 PRO A 72 11.062 -7.727 -18.605 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.638 -6.034 -18.447 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.158 -7.591 -16.569 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.598 -5.946 -16.340 1.00 0.00 H new ATOM 1005 N LYS A 73 8.274 -10.213 -17.141 1.00 0.00 N ATOM 1006 CA LYS A 73 8.316 -11.702 -17.257 1.00 0.00 C ATOM 1007 C LYS A 73 7.494 -12.319 -16.124 1.00 0.00 C ATOM 1008 O LYS A 73 6.823 -13.314 -16.310 1.00 0.00 O ATOM 1009 CB LYS A 73 9.761 -12.208 -17.177 1.00 0.00 C ATOM 1010 CG LYS A 73 10.671 -11.296 -18.003 1.00 0.00 C ATOM 1011 CD LYS A 73 11.515 -12.146 -18.954 1.00 0.00 C ATOM 1012 CE LYS A 73 10.994 -11.985 -20.383 1.00 0.00 C ATOM 1013 NZ LYS A 73 10.103 -13.131 -20.719 1.00 0.00 N ATOM 0 H LYS A 73 7.526 -9.767 -17.671 1.00 0.00 H new ATOM 0 HA LYS A 73 7.899 -11.993 -18.221 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.093 -12.227 -16.139 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.820 -13.231 -17.549 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.072 -10.583 -18.570 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.318 -10.717 -17.344 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.560 -11.841 -18.900 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.473 -13.194 -18.656 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.449 -11.046 -20.479 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.828 -11.942 -21.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.749 -13.022 -21.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.637 -14.020 -20.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.300 -13.152 -20.058 1.00 0.00 H new ATOM 1027 N SER A 74 7.535 -11.725 -14.951 1.00 0.00 N ATOM 1028 CA SER A 74 6.753 -12.265 -13.797 1.00 0.00 C ATOM 1029 C SER A 74 7.415 -11.827 -12.486 1.00 0.00 C ATOM 1030 O SER A 74 6.979 -10.895 -11.841 1.00 0.00 O ATOM 1031 CB SER A 74 6.722 -13.795 -13.850 1.00 0.00 C ATOM 1032 OG SER A 74 5.501 -14.224 -14.434 1.00 0.00 O ATOM 0 H SER A 74 8.079 -10.887 -14.747 1.00 0.00 H new ATOM 0 HA SER A 74 5.734 -11.881 -13.850 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.566 -14.166 -14.431 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.821 -14.206 -12.846 1.00 0.00 H new ATOM 0 HG SER A 74 5.464 -13.930 -15.368 1.00 0.00 H new ATOM 1038 N SER A 75 8.470 -12.496 -12.084 1.00 0.00 N ATOM 1039 CA SER A 75 9.154 -12.117 -10.815 1.00 0.00 C ATOM 1040 C SER A 75 10.265 -13.124 -10.520 1.00 0.00 C ATOM 1041 O SER A 75 11.382 -12.982 -10.974 1.00 0.00 O ATOM 1042 CB SER A 75 8.140 -12.116 -9.669 1.00 0.00 C ATOM 1043 OG SER A 75 7.025 -12.922 -10.022 1.00 0.00 O ATOM 0 H SER A 75 8.883 -13.285 -12.581 1.00 0.00 H new ATOM 0 HA SER A 75 9.585 -11.121 -10.914 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.604 -12.497 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.814 -11.097 -9.459 1.00 0.00 H new ATOM 0 HG SER A 75 6.376 -12.923 -9.287 1.00 0.00 H new ATOM 1049 N GLY A 76 9.964 -14.140 -9.765 1.00 0.00 N ATOM 1050 CA GLY A 76 10.998 -15.163 -9.439 1.00 0.00 C ATOM 1051 C GLY A 76 11.113 -15.306 -7.919 1.00 0.00 C ATOM 1052 O GLY A 76 10.883 -16.362 -7.368 1.00 0.00 O ATOM 0 H GLY A 76 9.044 -14.309 -9.357 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.731 -16.121 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.960 -14.871 -9.861 1.00 0.00 H new ATOM 1056 N ASP A 77 11.466 -14.247 -7.242 1.00 0.00 N ATOM 1057 CA ASP A 77 11.598 -14.315 -5.758 1.00 0.00 C ATOM 1058 C ASP A 77 12.416 -13.124 -5.264 1.00 0.00 C ATOM 1059 O ASP A 77 12.309 -12.707 -4.129 1.00 0.00 O ATOM 1060 CB ASP A 77 12.299 -15.617 -5.363 1.00 0.00 C ATOM 1061 CG ASP A 77 13.396 -15.933 -6.382 1.00 0.00 C ATOM 1062 OD1 ASP A 77 14.414 -15.261 -6.357 1.00 0.00 O ATOM 1063 OD2 ASP A 77 13.198 -16.842 -7.172 1.00 0.00 O ATOM 0 H ASP A 77 11.669 -13.336 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 77 10.607 -14.288 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.730 -15.523 -4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.578 -16.434 -5.323 1.00 0.00 H new ATOM 1068 N LEU A 78 13.232 -12.575 -6.116 1.00 0.00 N ATOM 1069 CA LEU A 78 14.064 -11.407 -5.712 1.00 0.00 C ATOM 1070 C LEU A 78 14.552 -10.678 -6.968 1.00 0.00 C ATOM 1071 O LEU A 78 13.977 -9.690 -7.381 1.00 0.00 O ATOM 1072 CB LEU A 78 15.266 -11.893 -4.902 1.00 0.00 C ATOM 1073 CG LEU A 78 15.121 -11.437 -3.448 1.00 0.00 C ATOM 1074 CD1 LEU A 78 15.120 -12.661 -2.528 1.00 0.00 C ATOM 1075 CD2 LEU A 78 16.293 -10.524 -3.081 1.00 0.00 C ATOM 0 H LEU A 78 13.360 -12.885 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 78 13.470 -10.726 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 78 15.333 -12.980 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.188 -11.498 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 78 14.185 -10.892 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.017 -12.338 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.286 -13.312 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.057 -13.206 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 78 16.191 -10.199 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 78 17.230 -11.069 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 78 16.295 -9.653 -3.736 1.00 0.00 H new ATOM 1087 N GLN A 79 15.603 -11.156 -7.588 1.00 0.00 N ATOM 1088 CA GLN A 79 16.108 -10.481 -8.818 1.00 0.00 C ATOM 1089 C GLN A 79 16.381 -9.009 -8.521 1.00 0.00 C ATOM 1090 O GLN A 79 15.958 -8.476 -7.513 1.00 0.00 O ATOM 1091 CB GLN A 79 15.058 -10.590 -9.924 1.00 0.00 C ATOM 1092 CG GLN A 79 15.619 -11.422 -11.079 1.00 0.00 C ATOM 1093 CD GLN A 79 14.773 -12.685 -11.256 1.00 0.00 C ATOM 1094 OE1 GLN A 79 14.213 -12.913 -12.309 1.00 0.00 O ATOM 1095 NE2 GLN A 79 14.655 -13.521 -10.261 1.00 0.00 N ATOM 0 H GLN A 79 16.129 -11.980 -7.296 1.00 0.00 H new ATOM 0 HA GLN A 79 17.032 -10.962 -9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 79 14.151 -11.053 -9.535 1.00 0.00 H new ATOM 0 HB3 GLN A 79 14.782 -9.597 -10.278 1.00 0.00 H new ATOM 0 HG2 GLN A 79 15.615 -10.837 -11.999 1.00 0.00 H new ATOM 0 HG3 GLN A 79 16.656 -11.691 -10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 79 15.125 -13.330 -9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.093 -14.365 -10.368 1.00 0.00 H new ATOM 1104 N SER A 80 17.086 -8.349 -9.393 1.00 0.00 N ATOM 1105 CA SER A 80 17.393 -6.907 -9.173 1.00 0.00 C ATOM 1106 C SER A 80 16.252 -6.050 -9.731 1.00 0.00 C ATOM 1107 O SER A 80 16.474 -4.989 -10.280 1.00 0.00 O ATOM 1108 CB SER A 80 18.696 -6.550 -9.889 1.00 0.00 C ATOM 1109 OG SER A 80 19.749 -7.363 -9.394 1.00 0.00 O ATOM 0 H SER A 80 17.465 -8.746 -10.253 1.00 0.00 H new ATOM 0 HA SER A 80 17.500 -6.717 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.584 -6.696 -10.963 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.932 -5.497 -9.733 1.00 0.00 H new ATOM 0 HG SER A 80 20.583 -7.134 -9.855 1.00 0.00 H new ATOM 1115 N CYS A 81 15.033 -6.501 -9.596 1.00 0.00 N ATOM 1116 CA CYS A 81 13.883 -5.710 -10.119 1.00 0.00 C ATOM 1117 C CYS A 81 14.070 -4.240 -9.749 1.00 0.00 C ATOM 1118 O CYS A 81 14.335 -3.913 -8.609 1.00 0.00 O ATOM 1119 CB CYS A 81 12.586 -6.234 -9.495 1.00 0.00 C ATOM 1120 SG CYS A 81 12.508 -8.030 -9.704 1.00 0.00 S ATOM 0 H CYS A 81 14.785 -7.382 -9.146 1.00 0.00 H new ATOM 0 HA CYS A 81 13.832 -5.807 -11.203 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.548 -5.977 -8.436 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.724 -5.763 -9.968 1.00 0.00 H new ATOM 1125 N GLU A 82 13.945 -3.342 -10.693 1.00 0.00 N ATOM 1126 CA GLU A 82 14.133 -1.907 -10.348 1.00 0.00 C ATOM 1127 C GLU A 82 13.298 -0.995 -11.259 1.00 0.00 C ATOM 1128 O GLU A 82 12.825 -1.380 -12.315 1.00 0.00 O ATOM 1129 CB GLU A 82 15.613 -1.542 -10.477 1.00 0.00 C ATOM 1130 CG GLU A 82 15.950 -0.423 -9.489 1.00 0.00 C ATOM 1131 CD GLU A 82 16.655 0.717 -10.226 1.00 0.00 C ATOM 1132 OE1 GLU A 82 16.309 0.960 -11.371 1.00 0.00 O ATOM 1133 OE2 GLU A 82 17.529 1.328 -9.633 1.00 0.00 O ATOM 0 H GLU A 82 13.725 -3.538 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 82 13.797 -1.758 -9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 82 16.233 -2.416 -10.278 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.832 -1.221 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.039 -0.055 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.590 -0.806 -8.694 1.00 0.00 H new ATOM 1140 N PHE A 83 13.120 0.219 -10.824 1.00 0.00 N ATOM 1141 CA PHE A 83 12.333 1.228 -11.584 1.00 0.00 C ATOM 1142 C PHE A 83 12.726 1.241 -13.065 1.00 0.00 C ATOM 1143 O PHE A 83 12.055 0.654 -13.889 1.00 0.00 O ATOM 1144 CB PHE A 83 12.556 2.569 -10.922 1.00 0.00 C ATOM 1145 CG PHE A 83 11.539 2.663 -9.812 1.00 0.00 C ATOM 1146 CD1 PHE A 83 11.438 1.618 -8.878 1.00 0.00 C ATOM 1147 CD2 PHE A 83 10.662 3.749 -9.738 1.00 0.00 C ATOM 1148 CE1 PHE A 83 10.462 1.656 -7.887 1.00 0.00 C ATOM 1149 CE2 PHE A 83 9.696 3.790 -8.734 1.00 0.00 C ATOM 1150 CZ PHE A 83 9.591 2.742 -7.812 1.00 0.00 C ATOM 0 H PHE A 83 13.501 0.565 -9.943 1.00 0.00 H new ATOM 0 HA PHE A 83 11.272 0.981 -11.563 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.570 2.646 -10.529 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.429 3.382 -11.637 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.120 0.782 -8.930 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.733 4.553 -10.456 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.379 0.846 -7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.026 4.634 -8.667 1.00 0.00 H new ATOM 0 HZ PHE A 83 8.835 2.775 -7.042 1.00 0.00 H new ATOM 1160 N HIS A 84 13.797 1.886 -13.419 1.00 0.00 N ATOM 1161 CA HIS A 84 14.203 1.903 -14.855 1.00 0.00 C ATOM 1162 C HIS A 84 15.695 2.167 -14.948 1.00 0.00 C ATOM 1163 O HIS A 84 16.141 3.104 -15.579 1.00 0.00 O ATOM 1164 CB HIS A 84 13.431 2.995 -15.605 1.00 0.00 C ATOM 1165 CG HIS A 84 11.968 2.646 -15.640 1.00 0.00 C ATOM 1166 ND1 HIS A 84 10.959 2.818 -14.725 1.00 0.00 N flip ATOM 1167 CD2 HIS A 84 11.382 2.030 -16.736 1.00 0.00 C flip ATOM 1168 CE1 HIS A 84 9.767 2.320 -15.242 1.00 0.00 C flip ATOM 1169 NE2 HIS A 84 10.079 1.857 -16.455 1.00 0.00 N flip ATOM 0 H HIS A 84 14.408 2.400 -12.785 1.00 0.00 H new ATOM 0 HA HIS A 84 13.974 0.939 -15.309 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.574 3.958 -15.114 1.00 0.00 H new ATOM 0 HB3 HIS A 84 13.816 3.095 -16.620 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.882 1.742 -17.649 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.798 2.310 -14.765 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.409 1.424 -17.091 1.00 0.00 H new ATOM 1177 N ASP A 85 16.468 1.338 -14.315 1.00 0.00 N ATOM 1178 CA ASP A 85 17.944 1.513 -14.341 1.00 0.00 C ATOM 1179 C ASP A 85 18.305 2.902 -13.799 1.00 0.00 C ATOM 1180 O ASP A 85 19.411 3.374 -13.973 1.00 0.00 O ATOM 1181 CB ASP A 85 18.447 1.376 -15.780 1.00 0.00 C ATOM 1182 CG ASP A 85 19.215 0.061 -15.928 1.00 0.00 C ATOM 1183 OD1 ASP A 85 19.854 -0.341 -14.968 1.00 0.00 O ATOM 1184 OD2 ASP A 85 19.152 -0.521 -16.998 1.00 0.00 O ATOM 0 H ASP A 85 16.139 0.538 -13.775 1.00 0.00 H new ATOM 0 HA ASP A 85 18.413 0.750 -13.719 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.607 1.399 -16.474 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.093 2.217 -16.033 1.00 0.00 H new ATOM 1189 N GLU A 86 17.378 3.556 -13.143 1.00 0.00 N ATOM 1190 CA GLU A 86 17.650 4.916 -12.584 1.00 0.00 C ATOM 1191 C GLU A 86 16.319 5.634 -12.344 1.00 0.00 C ATOM 1192 O GLU A 86 15.297 5.233 -12.865 1.00 0.00 O ATOM 1193 CB GLU A 86 18.494 5.732 -13.569 1.00 0.00 C ATOM 1194 CG GLU A 86 17.953 5.543 -14.987 1.00 0.00 C ATOM 1195 CD GLU A 86 19.074 5.045 -15.901 1.00 0.00 C ATOM 1196 OE1 GLU A 86 20.226 5.207 -15.534 1.00 0.00 O ATOM 1197 OE2 GLU A 86 18.762 4.510 -16.952 1.00 0.00 O ATOM 0 H GLU A 86 16.437 3.202 -12.970 1.00 0.00 H new ATOM 0 HA GLU A 86 18.196 4.816 -11.646 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.470 6.787 -13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.536 5.415 -13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.130 4.828 -14.981 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.554 6.485 -15.364 1.00 0.00 H new ATOM 1204 N PRO A 87 16.374 6.680 -11.560 1.00 0.00 N ATOM 1205 CA PRO A 87 15.183 7.510 -11.208 1.00 0.00 C ATOM 1206 C PRO A 87 14.900 8.538 -12.305 1.00 0.00 C ATOM 1207 O PRO A 87 13.787 9.014 -12.453 1.00 0.00 O ATOM 1208 CB PRO A 87 15.616 8.194 -9.918 1.00 0.00 C ATOM 1209 CG PRO A 87 17.142 8.222 -9.913 1.00 0.00 C ATOM 1210 CD PRO A 87 17.633 7.174 -10.918 1.00 0.00 C ATOM 0 HA PRO A 87 14.266 6.931 -11.100 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.212 9.205 -9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.238 7.653 -9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.507 9.212 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.525 8.004 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.312 7.610 -11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.173 6.367 -10.423 1.00 0.00 H new ATOM 1218 N GLU A 88 15.922 8.866 -13.054 1.00 0.00 N ATOM 1219 CA GLU A 88 15.832 9.869 -14.165 1.00 0.00 C ATOM 1220 C GLU A 88 14.397 10.059 -14.644 1.00 0.00 C ATOM 1221 O GLU A 88 13.946 11.170 -14.847 1.00 0.00 O ATOM 1222 CB GLU A 88 16.691 9.393 -15.337 1.00 0.00 C ATOM 1223 CG GLU A 88 17.022 10.581 -16.243 1.00 0.00 C ATOM 1224 CD GLU A 88 17.842 11.608 -15.459 1.00 0.00 C ATOM 1225 OE1 GLU A 88 18.731 11.197 -14.733 1.00 0.00 O ATOM 1226 OE2 GLU A 88 17.566 12.789 -15.600 1.00 0.00 O ATOM 0 H GLU A 88 16.852 8.464 -12.937 1.00 0.00 H new ATOM 0 HA GLU A 88 16.189 10.826 -13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.609 8.937 -14.967 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.161 8.627 -15.903 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.582 10.242 -17.115 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.104 11.038 -16.611 1.00 0.00 H new ATOM 1233 N LEU A 89 13.671 8.999 -14.837 1.00 0.00 N ATOM 1234 CA LEU A 89 12.271 9.159 -15.314 1.00 0.00 C ATOM 1235 C LEU A 89 11.481 7.872 -15.076 1.00 0.00 C ATOM 1236 O LEU A 89 10.797 7.391 -15.958 1.00 0.00 O ATOM 1237 CB LEU A 89 12.282 9.472 -16.813 1.00 0.00 C ATOM 1238 CG LEU A 89 13.437 8.722 -17.482 1.00 0.00 C ATOM 1239 CD1 LEU A 89 13.186 7.217 -17.392 1.00 0.00 C ATOM 1240 CD2 LEU A 89 13.529 9.138 -18.953 1.00 0.00 C ATOM 0 H LEU A 89 13.980 8.038 -14.688 1.00 0.00 H new ATOM 0 HA LEU A 89 11.799 9.974 -14.765 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.334 9.178 -17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.391 10.545 -16.971 1.00 0.00 H new ATOM 0 HG LEU A 89 14.371 8.965 -16.976 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.008 6.682 -17.868 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.119 6.921 -16.345 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.252 6.973 -17.899 1.00 0.00 H new ATOM 0 HD21 LEU A 89 14.351 8.605 -19.431 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.595 8.894 -19.459 1.00 0.00 H new ATOM 0 HD23 LEU A 89 13.707 10.212 -19.017 1.00 0.00 H new ATOM 1252 N ALA A 90 11.554 7.302 -13.899 1.00 0.00 N ATOM 1253 CA ALA A 90 10.780 6.046 -13.661 1.00 0.00 C ATOM 1254 C ALA A 90 9.352 6.382 -13.234 1.00 0.00 C ATOM 1255 O ALA A 90 8.682 5.590 -12.601 1.00 0.00 O ATOM 1256 CB ALA A 90 11.433 5.227 -12.555 1.00 0.00 C ATOM 0 H ALA A 90 12.103 7.642 -13.109 1.00 0.00 H new ATOM 0 HA ALA A 90 10.767 5.473 -14.588 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.860 4.315 -12.391 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.451 4.969 -12.846 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.456 5.811 -11.635 1.00 0.00 H new ATOM 1262 N LYS A 91 8.899 7.557 -13.542 1.00 0.00 N ATOM 1263 CA LYS A 91 7.555 7.981 -13.132 1.00 0.00 C ATOM 1264 C LYS A 91 7.407 7.756 -11.654 1.00 0.00 C ATOM 1265 O LYS A 91 8.244 7.173 -10.994 1.00 0.00 O ATOM 1266 CB LYS A 91 6.449 7.219 -13.829 1.00 0.00 C ATOM 1267 CG LYS A 91 6.962 6.622 -15.142 1.00 0.00 C ATOM 1268 CD LYS A 91 5.906 6.802 -16.234 1.00 0.00 C ATOM 1269 CE LYS A 91 6.595 7.083 -17.570 1.00 0.00 C ATOM 1270 NZ LYS A 91 5.570 7.452 -18.587 1.00 0.00 N ATOM 0 H LYS A 91 9.422 8.253 -14.074 1.00 0.00 H new ATOM 0 HA LYS A 91 7.459 9.032 -13.404 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.080 6.425 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.609 7.884 -14.028 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.891 7.110 -15.437 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.186 5.564 -15.009 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.291 5.905 -16.311 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.239 7.625 -15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.318 7.891 -17.456 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.149 6.204 -17.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.037 7.644 -19.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.897 6.668 -18.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.060 8.303 -18.273 1.00 0.00 H new ATOM 1284 N TYR A 92 6.357 8.263 -11.138 1.00 0.00 N ATOM 1285 CA TYR A 92 6.091 8.177 -9.706 1.00 0.00 C ATOM 1286 C TYR A 92 4.597 8.323 -9.468 1.00 0.00 C ATOM 1287 O TYR A 92 3.820 8.516 -10.381 1.00 0.00 O ATOM 1288 CB TYR A 92 6.845 9.330 -9.087 1.00 0.00 C ATOM 1289 CG TYR A 92 8.296 9.194 -9.484 1.00 0.00 C ATOM 1290 CD1 TYR A 92 9.113 8.282 -8.812 1.00 0.00 C ATOM 1291 CD2 TYR A 92 8.806 9.916 -10.574 1.00 0.00 C ATOM 1292 CE1 TYR A 92 10.439 8.094 -9.209 1.00 0.00 C ATOM 1293 CE2 TYR A 92 10.131 9.721 -10.981 1.00 0.00 C ATOM 1294 CZ TYR A 92 10.949 8.812 -10.298 1.00 0.00 C ATOM 1295 OH TYR A 92 12.255 8.621 -10.698 1.00 0.00 O ATOM 0 H TYR A 92 5.640 8.755 -11.671 1.00 0.00 H new ATOM 0 HA TYR A 92 6.403 7.225 -9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.441 10.281 -9.433 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.742 9.316 -8.002 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.717 7.719 -7.980 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.177 10.621 -11.098 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.069 7.397 -8.677 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.523 10.272 -11.823 1.00 0.00 H new ATOM 0 HH TYR A 92 12.430 9.147 -11.506 1.00 0.00 H new ATOM 1305 N THR A 93 4.195 8.207 -8.250 1.00 0.00 N ATOM 1306 CA THR A 93 2.758 8.307 -7.927 1.00 0.00 C ATOM 1307 C THR A 93 2.551 8.174 -6.419 1.00 0.00 C ATOM 1308 O THR A 93 3.338 7.568 -5.726 1.00 0.00 O ATOM 1309 CB THR A 93 2.034 7.178 -8.669 1.00 0.00 C ATOM 1310 OG1 THR A 93 0.701 7.573 -8.954 1.00 0.00 O ATOM 1311 CG2 THR A 93 2.026 5.880 -7.838 1.00 0.00 C ATOM 0 H THR A 93 4.807 8.045 -7.450 1.00 0.00 H new ATOM 0 HA THR A 93 2.361 9.274 -8.235 1.00 0.00 H new ATOM 0 HB THR A 93 2.568 6.983 -9.599 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.240 6.851 -9.430 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.506 5.098 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.052 5.566 -7.644 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.515 6.057 -6.892 1.00 0.00 H new ATOM 1319 N THR A 94 1.481 8.710 -5.919 1.00 0.00 N ATOM 1320 CA THR A 94 1.181 8.590 -4.467 1.00 0.00 C ATOM 1321 C THR A 94 -0.153 7.856 -4.377 1.00 0.00 C ATOM 1322 O THR A 94 -1.120 8.254 -4.998 1.00 0.00 O ATOM 1323 CB THR A 94 1.074 9.991 -3.843 1.00 0.00 C ATOM 1324 OG1 THR A 94 2.365 10.430 -3.448 1.00 0.00 O ATOM 1325 CG2 THR A 94 0.152 9.956 -2.618 1.00 0.00 C ATOM 0 H THR A 94 0.791 9.233 -6.458 1.00 0.00 H new ATOM 0 HA THR A 94 1.962 8.053 -3.929 1.00 0.00 H new ATOM 0 HB THR A 94 0.659 10.678 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.748 9.789 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.084 10.954 -2.185 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.841 9.623 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.557 9.266 -1.878 1.00 0.00 H new ATOM 1333 N CYS A 95 -0.225 6.767 -3.670 1.00 0.00 N ATOM 1334 CA CYS A 95 -1.533 6.030 -3.652 1.00 0.00 C ATOM 1335 C CYS A 95 -2.177 6.032 -2.260 1.00 0.00 C ATOM 1336 O CYS A 95 -1.544 6.313 -1.268 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.283 4.611 -4.132 1.00 0.00 C ATOM 1338 SG CYS A 95 -2.809 3.911 -4.804 1.00 0.00 S ATOM 0 H CYS A 95 0.531 6.359 -3.119 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.236 6.535 -4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.504 4.608 -4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.923 3.997 -3.307 1.00 0.00 H new ATOM 1343 N THR A 96 -3.455 5.739 -2.193 1.00 0.00 N ATOM 1344 CA THR A 96 -4.166 5.745 -0.875 1.00 0.00 C ATOM 1345 C THR A 96 -4.874 4.410 -0.634 1.00 0.00 C ATOM 1346 O THR A 96 -5.587 3.906 -1.479 1.00 0.00 O ATOM 1347 CB THR A 96 -5.217 6.859 -0.864 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.618 8.082 -1.267 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.796 7.008 0.544 1.00 0.00 C ATOM 0 H THR A 96 -4.036 5.496 -2.995 1.00 0.00 H new ATOM 0 HA THR A 96 -3.427 5.908 -0.091 1.00 0.00 H new ATOM 0 HB THR A 96 -6.019 6.605 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.292 8.794 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.543 7.801 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.261 6.070 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.997 7.259 1.241 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.699 3.851 0.533 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.362 2.570 0.879 1.00 0.00 C ATOM 1359 C PHE A 97 -6.312 2.809 2.043 1.00 0.00 C ATOM 1360 O PHE A 97 -5.949 3.412 3.034 1.00 0.00 O ATOM 1361 CB PHE A 97 -4.325 1.546 1.327 1.00 0.00 C ATOM 1362 CG PHE A 97 -3.153 1.499 0.362 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.291 1.939 -0.965 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.914 0.991 0.787 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.215 1.874 -1.836 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.845 0.926 -0.088 1.00 0.00 C ATOM 1367 CZ PHE A 97 -0.989 1.367 -1.403 1.00 0.00 C ATOM 0 H PHE A 97 -4.113 4.239 1.272 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.895 2.200 0.003 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.968 1.798 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.786 0.561 1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.238 2.329 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.795 0.649 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.326 2.217 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.103 0.533 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.153 1.316 -2.085 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.519 2.330 1.958 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.455 2.527 3.095 1.00 0.00 C ATOM 1379 C VAL A 98 -8.911 1.143 3.558 1.00 0.00 C ATOM 1380 O VAL A 98 -9.753 0.518 2.947 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.643 3.362 2.631 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.715 3.385 3.720 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.177 4.792 2.340 1.00 0.00 C ATOM 0 H VAL A 98 -7.895 1.817 1.161 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.974 3.054 3.919 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.061 2.923 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.562 3.983 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.048 2.367 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.301 3.821 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.025 5.391 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.757 5.229 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.417 4.775 1.559 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.318 0.637 4.605 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.671 -0.730 5.079 1.00 0.00 C ATOM 1395 C VAL A 99 -9.609 -0.679 6.277 1.00 0.00 C ATOM 1396 O VAL A 99 -9.851 0.338 6.866 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.365 -1.480 5.450 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.516 -2.263 6.763 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.022 -2.444 4.321 1.00 0.00 C ATOM 0 H VAL A 99 -7.602 1.114 5.154 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.193 -1.258 4.281 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.570 -0.748 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.581 -2.775 6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.758 -1.574 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.316 -2.996 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.105 -2.980 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.836 -3.157 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.879 -1.885 3.396 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.133 -1.802 6.627 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.040 -1.878 7.790 1.00 0.00 C ATOM 1411 C TYR A 100 -10.698 -3.161 8.563 1.00 0.00 C ATOM 1412 O TYR A 100 -10.751 -4.245 8.008 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.464 -1.944 7.278 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.390 -1.309 8.282 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.558 -1.886 9.545 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.075 -0.136 7.950 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.413 -1.289 10.477 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -14.931 0.462 8.879 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.100 -0.114 10.144 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.945 0.474 11.063 1.00 0.00 O ATOM 0 H TYR A 100 -9.971 -2.689 6.150 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.932 -1.011 8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.541 -1.430 6.320 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.752 -2.981 7.107 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -13.028 -2.792 9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -13.942 0.308 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.544 -1.733 11.453 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.461 1.367 8.622 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.810 0.658 10.641 1.00 0.00 H new ATOM 1430 N SER A 101 -10.329 -3.072 9.818 1.00 0.00 N ATOM 1431 CA SER A 101 -9.976 -4.310 10.561 1.00 0.00 C ATOM 1432 C SER A 101 -10.932 -4.489 11.756 1.00 0.00 C ATOM 1433 O SER A 101 -11.066 -3.615 12.597 1.00 0.00 O ATOM 1434 CB SER A 101 -8.533 -4.207 11.037 1.00 0.00 C ATOM 1435 OG SER A 101 -7.878 -5.447 10.841 1.00 0.00 O ATOM 0 H SER A 101 -10.259 -2.205 10.350 1.00 0.00 H new ATOM 0 HA SER A 101 -10.075 -5.178 9.910 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.014 -3.420 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.506 -3.933 12.092 1.00 0.00 H new ATOM 0 HG SER A 101 -6.949 -5.378 11.146 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.599 -5.618 11.820 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.554 -5.903 12.941 1.00 0.00 C ATOM 1443 C ILE A 102 -11.860 -6.869 13.924 1.00 0.00 C ATOM 1444 O ILE A 102 -11.639 -8.016 13.588 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.807 -6.578 12.366 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -14.063 -6.049 10.948 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -15.014 -6.263 13.254 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.488 -6.400 10.512 1.00 0.00 C ATOM 0 H ILE A 102 -11.521 -6.366 11.131 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.838 -4.982 13.451 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.656 -7.657 12.333 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.921 -4.969 10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.343 -6.482 10.253 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.903 -6.743 12.844 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.832 -6.637 14.262 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -15.168 -5.185 13.289 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.664 -6.022 9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.615 -7.483 10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -16.201 -5.946 11.200 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.508 -6.381 15.092 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.794 -7.191 16.145 1.00 0.00 C ATOM 1462 C PRO A 103 -11.641 -8.353 16.692 1.00 0.00 C ATOM 1463 O PRO A 103 -11.222 -9.492 16.653 1.00 0.00 O ATOM 1464 CB PRO A 103 -10.489 -6.162 17.230 1.00 0.00 C ATOM 1465 CG PRO A 103 -11.479 -5.027 17.036 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.775 -4.974 15.538 1.00 0.00 C ATOM 0 HA PRO A 103 -9.906 -7.682 15.748 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.592 -6.602 18.222 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.464 -5.802 17.146 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -12.390 -5.203 17.607 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -11.062 -4.082 17.384 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.805 -4.676 15.340 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.132 -4.259 15.025 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.804 -8.096 17.230 1.00 0.00 N ATOM 1475 CA TRP A 104 -13.613 -9.228 17.788 1.00 0.00 C ATOM 1476 C TRP A 104 -13.862 -10.305 16.718 1.00 0.00 C ATOM 1477 O TRP A 104 -14.348 -11.375 17.022 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.963 -8.711 18.312 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.810 -8.227 17.174 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -16.562 -9.010 16.360 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -16.021 -6.859 16.728 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -17.197 -8.209 15.430 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.894 -6.875 15.614 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.535 -5.618 17.170 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -17.269 -5.703 14.964 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.913 -4.435 16.520 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.778 -4.479 15.417 1.00 0.00 C ATOM 0 H TRP A 104 -13.226 -7.171 17.308 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.048 -9.670 18.609 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -15.482 -9.506 18.848 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.799 -7.901 19.023 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -16.650 -10.084 16.428 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.814 -8.560 14.698 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.866 -5.575 18.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.935 -5.741 14.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.536 -3.485 16.870 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.064 -3.565 14.918 1.00 0.00 H new ATOM 1498 N LEU A 105 -13.580 -10.030 15.469 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.849 -11.011 14.408 1.00 0.00 C ATOM 1500 C LEU A 105 -12.636 -11.146 13.487 1.00 0.00 C ATOM 1501 O LEU A 105 -12.711 -11.776 12.451 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.991 -10.424 13.629 1.00 0.00 C ATOM 1503 CG LEU A 105 -16.199 -11.358 13.548 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -16.029 -12.316 12.366 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -16.361 -12.159 14.842 1.00 0.00 C ATOM 0 H LEU A 105 -13.170 -9.153 15.149 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.069 -11.998 14.814 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.295 -9.485 14.091 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -14.653 -10.188 12.620 1.00 0.00 H new ATOM 0 HG LEU A 105 -17.094 -10.752 13.406 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -16.891 -12.981 12.310 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.952 -11.743 11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.123 -12.907 12.504 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -17.227 -12.815 14.758 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.467 -12.759 15.013 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.504 -11.475 15.678 1.00 0.00 H new ATOM 1517 N ASN A 106 -11.524 -10.565 13.860 1.00 0.00 N ATOM 1518 CA ASN A 106 -10.298 -10.647 13.022 1.00 0.00 C ATOM 1519 C ASN A 106 -10.669 -10.679 11.541 1.00 0.00 C ATOM 1520 O ASN A 106 -10.241 -11.534 10.792 1.00 0.00 O ATOM 1521 CB ASN A 106 -9.537 -11.900 13.416 1.00 0.00 C ATOM 1522 CG ASN A 106 -8.075 -11.776 12.984 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -7.718 -12.164 11.889 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -7.208 -11.249 13.804 1.00 0.00 N ATOM 0 H ASN A 106 -11.416 -10.031 14.722 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.671 -9.770 13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.596 -12.048 14.494 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.991 -12.774 12.949 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.230 -11.163 13.526 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.508 -10.923 14.723 1.00 0.00 H new ATOM 1531 N GLN A 107 -11.468 -9.740 11.125 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.891 -9.684 9.696 1.00 0.00 C ATOM 1533 C GLN A 107 -11.284 -8.446 9.040 1.00 0.00 C ATOM 1534 O GLN A 107 -11.682 -7.328 9.304 1.00 0.00 O ATOM 1535 CB GLN A 107 -13.417 -9.606 9.618 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.897 -10.298 8.341 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.946 -11.353 8.695 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -14.670 -12.253 9.599 1.00 0.00 O flip ATOM 1539 NE2 GLN A 107 -16.029 -11.360 8.144 1.00 0.00 N flip ATOM 0 H GLN A 107 -11.850 -9.002 11.716 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.548 -10.579 9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.862 -10.082 10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.740 -8.565 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.321 -9.565 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.055 -10.764 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.246 -10.657 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.721 -12.069 8.388 1.00 0.00 H new ATOM 1548 N ILE A 108 -10.316 -8.634 8.188 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.673 -7.474 7.518 1.00 0.00 C ATOM 1550 C ILE A 108 -10.190 -7.368 6.078 1.00 0.00 C ATOM 1551 O ILE A 108 -10.311 -8.354 5.379 1.00 0.00 O ATOM 1552 CB ILE A 108 -8.148 -7.684 7.559 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.506 -6.493 8.275 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.561 -7.852 6.146 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -6.091 -6.231 7.767 1.00 0.00 C ATOM 0 H ILE A 108 -9.942 -9.546 7.927 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.916 -6.541 8.026 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.932 -8.603 8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -8.118 -5.604 8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.479 -6.684 9.348 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.483 -7.998 6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.014 -8.718 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.769 -6.959 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.666 -5.379 8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.473 -7.112 7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.122 -6.015 6.699 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.502 -6.182 5.633 1.00 0.00 N ATOM 1568 CA LYS A 109 -11.014 -6.031 4.240 1.00 0.00 C ATOM 1569 C LYS A 109 -10.479 -4.743 3.603 1.00 0.00 C ATOM 1570 O LYS A 109 -10.295 -3.733 4.261 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.543 -5.986 4.268 1.00 0.00 C ATOM 1572 CG LYS A 109 -13.078 -5.936 2.836 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.222 -4.925 2.751 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.520 -5.583 3.225 1.00 0.00 C ATOM 1575 NZ LYS A 109 -16.431 -4.540 3.774 1.00 0.00 N ATOM 0 H LYS A 109 -10.426 -5.317 6.168 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.674 -6.880 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.934 -6.863 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.882 -5.112 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.280 -5.656 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.428 -6.923 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.998 -4.053 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.334 -4.572 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.001 -6.102 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.304 -6.331 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.314 -4.985 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.970 -4.064 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.646 -3.842 3.034 1.00 0.00 H new ATOM 1589 N LEU A 110 -10.249 -4.778 2.312 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.748 -3.574 1.586 1.00 0.00 C ATOM 1591 C LEU A 110 -10.941 -2.724 1.169 1.00 0.00 C ATOM 1592 O LEU A 110 -12.069 -3.175 1.188 1.00 0.00 O ATOM 1593 CB LEU A 110 -8.977 -4.012 0.346 1.00 0.00 C ATOM 1594 CG LEU A 110 -7.763 -3.100 0.168 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -6.924 -3.101 1.448 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -6.916 -3.616 -0.985 1.00 0.00 C ATOM 0 H LEU A 110 -10.390 -5.601 1.726 1.00 0.00 H new ATOM 0 HA LEU A 110 -9.088 -2.997 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.657 -5.049 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.618 -3.961 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.100 -2.085 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.060 -2.450 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.529 -2.739 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.585 -4.115 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.048 -2.969 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.583 -4.630 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.509 -3.618 -1.900 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.716 -1.497 0.797 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.866 -0.645 0.392 1.00 0.00 C ATOM 1610 C LEU A 111 -11.403 0.439 -0.570 1.00 0.00 C ATOM 1611 O LEU A 111 -11.461 0.291 -1.775 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.482 0.008 1.633 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.606 -0.880 2.176 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.140 -1.562 3.463 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.836 -0.020 2.471 1.00 0.00 C ATOM 0 H LEU A 111 -9.799 -1.052 0.756 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.610 -1.269 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.718 0.153 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.873 0.994 1.382 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.861 -1.638 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -13.939 -2.194 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.263 -2.174 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.885 -0.805 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.637 -0.651 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -14.581 0.738 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.168 0.467 1.554 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.955 1.533 -0.042 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.496 2.649 -0.918 1.00 0.00 C ATOM 1629 C GLU A 112 -9.014 2.480 -1.253 1.00 0.00 C ATOM 1630 O GLU A 112 -8.181 3.274 -0.863 1.00 0.00 O ATOM 1631 CB GLU A 112 -10.715 3.989 -0.214 1.00 0.00 C ATOM 1632 CG GLU A 112 -11.360 4.977 -1.188 1.00 0.00 C ATOM 1633 CD GLU A 112 -12.875 4.998 -0.969 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.303 4.607 0.104 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -13.579 5.404 -1.879 1.00 0.00 O ATOM 0 H GLU A 112 -10.884 1.710 0.960 1.00 0.00 H new ATOM 0 HA GLU A 112 -11.074 2.630 -1.842 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.353 3.853 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.764 4.383 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.947 5.974 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.135 4.690 -2.215 1.00 0.00 H new ATOM 1642 N SER A 113 -8.689 1.461 -1.995 1.00 0.00 N ATOM 1643 CA SER A 113 -7.270 1.239 -2.391 1.00 0.00 C ATOM 1644 C SER A 113 -7.111 1.681 -3.846 1.00 0.00 C ATOM 1645 O SER A 113 -7.363 0.925 -4.762 1.00 0.00 O ATOM 1646 CB SER A 113 -6.930 -0.247 -2.266 1.00 0.00 C ATOM 1647 OG SER A 113 -7.841 -1.009 -3.044 1.00 0.00 O ATOM 0 H SER A 113 -9.349 0.767 -2.347 1.00 0.00 H new ATOM 0 HA SER A 113 -6.601 1.809 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.909 -0.427 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.980 -0.556 -1.222 1.00 0.00 H new ATOM 0 HG SER A 113 -7.962 -0.582 -3.918 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.713 2.905 -4.073 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.564 3.383 -5.476 1.00 0.00 C ATOM 1655 C LYS A 114 -5.615 4.576 -5.503 1.00 0.00 C ATOM 1656 O LYS A 114 -5.348 5.191 -4.491 1.00 0.00 O ATOM 1657 CB LYS A 114 -7.931 3.805 -6.019 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.712 4.534 -4.924 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.100 5.930 -5.414 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.622 6.024 -5.531 1.00 0.00 C ATOM 1661 NZ LYS A 114 -10.995 7.337 -6.132 1.00 0.00 N ATOM 0 H LYS A 114 -6.486 3.590 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.161 2.581 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.805 4.455 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.487 2.930 -6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.606 3.968 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.107 4.610 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.730 6.686 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.637 6.130 -6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.001 5.209 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.080 5.919 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.030 7.401 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.646 8.107 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.569 7.420 -7.077 1.00 0.00 H new ATOM 1675 N CYS A 115 -5.092 4.905 -6.649 1.00 0.00 N ATOM 1676 CA CYS A 115 -4.144 6.050 -6.728 1.00 0.00 C ATOM 1677 C CYS A 115 -4.738 7.160 -7.595 1.00 0.00 C ATOM 1678 O CYS A 115 -5.524 6.914 -8.487 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.824 5.574 -7.338 1.00 0.00 C ATOM 1680 SG CYS A 115 -2.490 3.877 -6.800 1.00 0.00 S ATOM 0 H CYS A 115 -5.279 4.432 -7.533 1.00 0.00 H new ATOM 0 HA CYS A 115 -3.965 6.439 -5.726 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -2.876 5.619 -8.426 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.011 6.231 -7.031 1.00 0.00 H new ATOM 1685 N GLN A 116 -4.364 8.381 -7.333 1.00 0.00 N ATOM 1686 CA GLN A 116 -4.903 9.516 -8.137 1.00 0.00 C ATOM 1687 C GLN A 116 -3.976 9.785 -9.322 1.00 0.00 C ATOM 1688 CB GLN A 116 -4.988 10.767 -7.260 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.522 11.936 -8.091 1.00 0.00 C ATOM 1690 CD GLN A 116 -4.354 12.682 -8.737 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -4.280 12.790 -9.945 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -3.430 13.207 -7.978 1.00 0.00 N ATOM 0 H GLN A 116 -3.708 8.643 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 116 -5.897 9.262 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -5.643 10.583 -6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -4.004 11.011 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.202 11.568 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.094 12.614 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -3.491 13.117 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -2.647 13.707 -8.399 1.00 0.00 H new TER 1701 GLN A 116