USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 783 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 80 THR OG1 : rot -88:sc= 1.27 USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= 0.949 F(o=-0.93,f=2.2) USER MOD Set 2.1: A 20 GLN :FLIP amide:sc= -4.73! C(o=-16!,f=-9.6!) USER MOD Set 2.2: A 62 CYS SG : rot -105:sc= -4.89! USER MOD Single : A 4 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 8 LYS NZ :NH3+ 143:sc= -1.57 (180deg=-4.94!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -7.91! C(o=-11!,f=-7.9!) USER MOD Single : A 19 LYS NZ :NH3+ -133:sc= -1.33 (180deg=-4.24!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -11.8! C(o=-12!,f=-19!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.135) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= -0.155 (180deg=-0.882) USER MOD Single : A 29 SER OG : rot 43:sc= 1.06 USER MOD Single : A 30 ASN :FLIP amide:sc= -5.89! C(o=-7.6!,f=-5.9!) USER MOD Single : A 32 GLN : amide:sc= -7.08! C(o=-7.1!,f=-12!) USER MOD Single : A 36 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.359 USER MOD Single : A 45 TYR OH : rot 180:sc= -3.11! USER MOD Single : A 46 THR OG1 : rot -30:sc= 0.881 USER MOD Single : A 53 SER OG : rot 124:sc= 1.24 USER MOD Single : A 57 GLN :FLIP amide:sc= -1.59 F(o=-3.3!,f=-1.6) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.0179 (180deg=-0.447) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc=-0.00817 (180deg=-0.338) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= -0.278 (180deg=-1.21!) USER MOD Single : A 85 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.17) USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.207 (180deg=-0.919) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N THR A 4 -18.558 -12.737 0.771 1.00 0.00 N ATOM 40 CA THR A 4 -18.301 -13.852 -0.190 1.00 0.00 C ATOM 41 C THR A 4 -17.690 -13.286 -1.473 1.00 0.00 C ATOM 42 O THR A 4 -17.463 -12.098 -1.593 1.00 0.00 O ATOM 43 CB THR A 4 -19.621 -14.552 -0.522 1.00 0.00 C ATOM 44 OG1 THR A 4 -20.475 -13.648 -1.210 1.00 0.00 O ATOM 45 CG2 THR A 4 -20.297 -15.014 0.770 1.00 0.00 C ATOM 0 HA THR A 4 -17.611 -14.567 0.258 1.00 0.00 H new ATOM 0 HB THR A 4 -19.424 -15.418 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 4 -21.019 -13.154 -0.562 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.237 -15.512 0.531 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.641 -15.709 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.495 -14.151 1.406 1.00 0.00 H new ATOM 53 N GLU A 5 -17.421 -14.127 -2.433 1.00 0.00 N ATOM 54 CA GLU A 5 -16.824 -13.637 -3.708 1.00 0.00 C ATOM 55 C GLU A 5 -17.627 -12.440 -4.222 1.00 0.00 C ATOM 56 O GLU A 5 -17.079 -11.405 -4.542 1.00 0.00 O ATOM 57 CB GLU A 5 -16.855 -14.757 -4.750 1.00 0.00 C ATOM 58 CG GLU A 5 -15.762 -15.781 -4.434 1.00 0.00 C ATOM 59 CD GLU A 5 -15.936 -16.288 -3.001 1.00 0.00 C ATOM 60 OE1 GLU A 5 -16.994 -16.818 -2.706 1.00 0.00 O ATOM 61 OE2 GLU A 5 -15.008 -16.139 -2.224 1.00 0.00 O ATOM 0 H GLU A 5 -17.589 -15.132 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.792 -13.333 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.832 -15.241 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.704 -14.344 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.816 -16.614 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.778 -15.327 -4.553 1.00 0.00 H new ATOM 68 N ILE A 6 -18.924 -12.570 -4.302 1.00 0.00 N ATOM 69 CA ILE A 6 -19.757 -11.438 -4.795 1.00 0.00 C ATOM 70 C ILE A 6 -19.428 -10.178 -3.993 1.00 0.00 C ATOM 71 O ILE A 6 -19.062 -9.159 -4.544 1.00 0.00 O ATOM 72 CB ILE A 6 -21.238 -11.780 -4.626 1.00 0.00 C ATOM 73 CG1 ILE A 6 -21.563 -13.047 -5.420 1.00 0.00 C ATOM 74 CG2 ILE A 6 -22.092 -10.621 -5.145 1.00 0.00 C ATOM 75 CD1 ILE A 6 -22.955 -13.550 -5.031 1.00 0.00 C ATOM 0 H ILE A 6 -19.442 -13.411 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 6 -19.545 -11.263 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 6 -21.454 -11.947 -3.571 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -21.526 -12.839 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -20.817 -13.816 -5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -23.148 -10.865 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.861 -9.718 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.876 -10.454 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -23.187 -14.453 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -22.976 -13.774 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -23.695 -12.782 -5.255 1.00 0.00 H new ATOM 87 N GLU A 7 -19.553 -10.239 -2.695 1.00 0.00 N ATOM 88 CA GLU A 7 -19.243 -9.043 -1.863 1.00 0.00 C ATOM 89 C GLU A 7 -17.898 -8.461 -2.300 1.00 0.00 C ATOM 90 O GLU A 7 -17.810 -7.326 -2.727 1.00 0.00 O ATOM 91 CB GLU A 7 -19.170 -9.452 -0.387 1.00 0.00 C ATOM 92 CG GLU A 7 -20.586 -9.563 0.183 1.00 0.00 C ATOM 93 CD GLU A 7 -21.410 -10.521 -0.679 1.00 0.00 C ATOM 94 OE1 GLU A 7 -21.805 -10.122 -1.762 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.632 -11.638 -0.242 1.00 0.00 O ATOM 0 H GLU A 7 -19.856 -11.064 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.024 -8.294 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.651 -10.405 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.596 -8.717 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.548 -9.923 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -21.058 -8.581 0.206 1.00 0.00 H new ATOM 102 N LYS A 8 -16.851 -9.233 -2.199 1.00 0.00 N ATOM 103 CA LYS A 8 -15.509 -8.731 -2.610 1.00 0.00 C ATOM 104 C LYS A 8 -15.615 -8.012 -3.958 1.00 0.00 C ATOM 105 O LYS A 8 -15.072 -6.948 -4.141 1.00 0.00 O ATOM 106 CB LYS A 8 -14.537 -9.914 -2.738 1.00 0.00 C ATOM 107 CG LYS A 8 -13.751 -10.089 -1.433 1.00 0.00 C ATOM 108 CD LYS A 8 -12.734 -11.229 -1.590 1.00 0.00 C ATOM 109 CE LYS A 8 -11.425 -10.682 -2.167 1.00 0.00 C ATOM 110 NZ LYS A 8 -10.785 -9.774 -1.173 1.00 0.00 N ATOM 0 H LYS A 8 -16.867 -10.191 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.140 -8.034 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.089 -10.826 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.850 -9.743 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.236 -9.162 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.434 -10.309 -0.612 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.548 -11.698 -0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.137 -12.000 -2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.752 -11.503 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.621 -10.143 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.752 -9.892 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.028 -8.788 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.127 -10.007 -0.219 1.00 0.00 H new ATOM 124 N LEU A 9 -16.300 -8.586 -4.906 1.00 0.00 N ATOM 125 CA LEU A 9 -16.415 -7.921 -6.237 1.00 0.00 C ATOM 126 C LEU A 9 -17.080 -6.548 -6.078 1.00 0.00 C ATOM 127 O LEU A 9 -16.556 -5.540 -6.507 1.00 0.00 O ATOM 128 CB LEU A 9 -17.257 -8.797 -7.173 1.00 0.00 C ATOM 129 CG LEU A 9 -16.827 -8.570 -8.625 1.00 0.00 C ATOM 130 CD1 LEU A 9 -17.726 -9.386 -9.557 1.00 0.00 C ATOM 131 CD2 LEU A 9 -16.950 -7.084 -8.971 1.00 0.00 C ATOM 0 H LEU A 9 -16.783 -9.480 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.420 -7.787 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -17.136 -9.848 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -18.314 -8.558 -7.056 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.791 -8.886 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.420 -9.225 -10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.637 -10.445 -9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.762 -9.071 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.643 -6.925 -10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.985 -6.766 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.309 -6.502 -8.309 1.00 0.00 H new ATOM 143 N GLU A 10 -18.233 -6.504 -5.472 1.00 0.00 N ATOM 144 CA GLU A 10 -18.938 -5.202 -5.295 1.00 0.00 C ATOM 145 C GLU A 10 -17.990 -4.159 -4.691 1.00 0.00 C ATOM 146 O GLU A 10 -17.716 -3.135 -5.288 1.00 0.00 O ATOM 147 CB GLU A 10 -20.133 -5.399 -4.357 1.00 0.00 C ATOM 148 CG GLU A 10 -21.008 -4.133 -4.350 1.00 0.00 C ATOM 149 CD GLU A 10 -22.287 -4.380 -5.154 1.00 0.00 C ATOM 150 OE1 GLU A 10 -22.936 -5.382 -4.902 1.00 0.00 O ATOM 151 OE2 GLU A 10 -22.595 -3.564 -6.006 1.00 0.00 O ATOM 0 H GLU A 10 -18.720 -7.315 -5.090 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.279 -4.849 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.722 -6.257 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.782 -5.615 -3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.259 -3.860 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.455 -3.296 -4.777 1.00 0.00 H new ATOM 158 N ILE A 11 -17.502 -4.401 -3.506 1.00 0.00 N ATOM 159 CA ILE A 11 -16.592 -3.411 -2.854 1.00 0.00 C ATOM 160 C ILE A 11 -15.297 -3.254 -3.659 1.00 0.00 C ATOM 161 O ILE A 11 -14.984 -2.184 -4.131 1.00 0.00 O ATOM 162 CB ILE A 11 -16.253 -3.880 -1.431 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.318 -5.413 -1.355 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.252 -3.280 -0.437 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.364 -5.914 -0.268 1.00 0.00 C ATOM 0 H ILE A 11 -17.693 -5.241 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 11 -17.100 -2.448 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.245 -3.549 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.336 -5.733 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.048 -5.847 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.008 -3.615 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.200 -2.192 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.260 -3.605 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.411 -7.002 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.346 -5.606 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.654 -5.491 0.694 1.00 0.00 H new ATOM 177 N VAL A 12 -14.536 -4.305 -3.799 1.00 0.00 N ATOM 178 CA VAL A 12 -13.245 -4.216 -4.548 1.00 0.00 C ATOM 179 C VAL A 12 -13.387 -3.311 -5.768 1.00 0.00 C ATOM 180 O VAL A 12 -12.482 -2.574 -6.102 1.00 0.00 O ATOM 181 CB VAL A 12 -12.810 -5.612 -4.998 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.547 -5.500 -5.854 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.520 -6.479 -3.767 1.00 0.00 C ATOM 0 H VAL A 12 -14.753 -5.229 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.492 -3.792 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.607 -6.070 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.236 -6.494 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.754 -4.884 -6.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.750 -5.042 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.210 -7.474 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.723 -6.022 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.420 -6.558 -3.158 1.00 0.00 H new ATOM 193 N LYS A 13 -14.492 -3.358 -6.448 1.00 0.00 N ATOM 194 CA LYS A 13 -14.637 -2.490 -7.647 1.00 0.00 C ATOM 195 C LYS A 13 -15.015 -1.066 -7.235 1.00 0.00 C ATOM 196 O LYS A 13 -14.551 -0.104 -7.812 1.00 0.00 O ATOM 197 CB LYS A 13 -15.716 -3.062 -8.573 1.00 0.00 C ATOM 198 CG LYS A 13 -15.565 -2.458 -9.977 1.00 0.00 C ATOM 199 CD LYS A 13 -14.568 -3.288 -10.797 1.00 0.00 C ATOM 200 CE LYS A 13 -15.299 -4.448 -11.481 1.00 0.00 C ATOM 201 NZ LYS A 13 -14.315 -5.505 -11.851 1.00 0.00 N ATOM 0 H LYS A 13 -15.293 -3.951 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.683 -2.461 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.629 -4.147 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.706 -2.839 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.532 -2.435 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.220 -1.427 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.085 -2.659 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.781 -3.673 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.057 -4.859 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.818 -4.091 -12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.810 -6.293 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.608 -5.108 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.840 -5.852 -10.994 1.00 0.00 H new ATOM 215 N ASP A 14 -15.865 -0.914 -6.261 1.00 0.00 N ATOM 216 CA ASP A 14 -16.272 0.459 -5.843 1.00 0.00 C ATOM 217 C ASP A 14 -15.222 1.083 -4.914 1.00 0.00 C ATOM 218 O ASP A 14 -14.582 2.057 -5.250 1.00 0.00 O ATOM 219 CB ASP A 14 -17.612 0.383 -5.109 1.00 0.00 C ATOM 220 CG ASP A 14 -18.658 -0.265 -6.018 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.426 -0.309 -7.215 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.670 -0.708 -5.501 1.00 0.00 O ATOM 0 H ASP A 14 -16.295 -1.676 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.362 1.082 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.504 -0.196 -4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.936 1.382 -4.819 1.00 0.00 H new ATOM 227 N HIS A 15 -15.068 0.537 -3.740 1.00 0.00 N ATOM 228 CA HIS A 15 -14.101 1.085 -2.743 1.00 0.00 C ATOM 229 C HIS A 15 -12.791 1.541 -3.401 1.00 0.00 C ATOM 230 O HIS A 15 -12.209 2.532 -3.005 1.00 0.00 O ATOM 231 CB HIS A 15 -13.805 0.007 -1.691 1.00 0.00 C ATOM 232 CG HIS A 15 -12.604 -0.808 -2.098 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.280 -1.460 -3.265 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.539 -1.026 -1.235 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.039 -2.070 -3.125 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.635 -1.780 -1.887 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.582 -0.284 -3.421 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.553 1.961 -2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.624 0.474 -0.723 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.672 -0.644 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.452 -0.657 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.512 -2.656 -3.864 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.751 -2.091 -1.485 1.00 0.00 H new ATOM 245 N LEU A 16 -12.298 0.824 -4.363 1.00 0.00 N ATOM 246 CA LEU A 16 -11.006 1.226 -4.983 1.00 0.00 C ATOM 247 C LEU A 16 -10.999 2.720 -5.340 1.00 0.00 C ATOM 248 O LEU A 16 -9.982 3.375 -5.233 1.00 0.00 O ATOM 249 CB LEU A 16 -10.714 0.373 -6.228 1.00 0.00 C ATOM 250 CG LEU A 16 -11.687 0.710 -7.369 1.00 0.00 C ATOM 251 CD1 LEU A 16 -11.247 1.995 -8.099 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.706 -0.449 -8.379 1.00 0.00 C ATOM 0 H LEU A 16 -12.727 -0.018 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.218 1.053 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.689 0.543 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.796 -0.684 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.679 0.863 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.949 2.215 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.230 2.826 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.250 1.853 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.395 -0.214 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.705 -0.595 -8.784 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.032 -1.362 -7.880 1.00 0.00 H new ATOM 264 N LEU A 17 -12.097 3.267 -5.798 1.00 0.00 N ATOM 265 CA LEU A 17 -12.084 4.713 -6.188 1.00 0.00 C ATOM 266 C LEU A 17 -12.213 5.636 -4.960 1.00 0.00 C ATOM 267 O LEU A 17 -11.371 6.484 -4.749 1.00 0.00 O ATOM 268 CB LEU A 17 -13.215 5.002 -7.196 1.00 0.00 C ATOM 269 CG LEU A 17 -12.630 5.513 -8.520 1.00 0.00 C ATOM 270 CD1 LEU A 17 -13.701 5.445 -9.609 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.173 6.964 -8.349 1.00 0.00 C ATOM 0 H LEU A 17 -12.988 2.786 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.123 4.922 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -13.795 4.096 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.899 5.743 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.780 4.893 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.287 5.808 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.031 4.413 -9.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.550 6.066 -9.323 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.757 7.328 -9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.024 7.583 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.411 7.016 -7.571 1.00 0.00 H new ATOM 283 N PRO A 18 -13.253 5.510 -4.167 1.00 0.00 N ATOM 284 CA PRO A 18 -13.456 6.392 -2.978 1.00 0.00 C ATOM 285 C PRO A 18 -12.468 6.106 -1.837 1.00 0.00 C ATOM 286 O PRO A 18 -11.879 7.006 -1.274 1.00 0.00 O ATOM 287 CB PRO A 18 -14.898 6.096 -2.523 1.00 0.00 C ATOM 288 CG PRO A 18 -15.503 5.246 -3.597 1.00 0.00 C ATOM 289 CD PRO A 18 -14.344 4.537 -4.285 1.00 0.00 C ATOM 0 HA PRO A 18 -13.287 7.437 -3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.906 5.578 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.463 7.019 -2.391 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.204 4.526 -3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.062 5.856 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.099 3.594 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.571 4.308 -5.326 1.00 0.00 H new ATOM 297 N LYS A 19 -12.295 4.865 -1.478 1.00 0.00 N ATOM 298 CA LYS A 19 -11.359 4.541 -0.363 1.00 0.00 C ATOM 299 C LYS A 19 -9.992 5.181 -0.620 1.00 0.00 C ATOM 300 O LYS A 19 -9.351 5.683 0.282 1.00 0.00 O ATOM 301 CB LYS A 19 -11.200 3.020 -0.253 1.00 0.00 C ATOM 302 CG LYS A 19 -10.746 2.651 1.165 1.00 0.00 C ATOM 303 CD LYS A 19 -10.088 1.264 1.157 1.00 0.00 C ATOM 304 CE LYS A 19 -8.591 1.405 0.864 1.00 0.00 C ATOM 305 NZ LYS A 19 -7.896 1.925 2.075 1.00 0.00 N ATOM 0 H LYS A 19 -12.758 4.063 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.766 4.935 0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.145 2.528 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.471 2.667 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.042 3.395 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.600 2.654 1.842 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.236 0.775 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.558 0.632 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.173 0.440 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.436 2.082 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.259 2.701 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.600 2.277 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.343 1.161 2.513 1.00 0.00 H new ATOM 319 N GLN A 20 -9.535 5.159 -1.841 1.00 0.00 N ATOM 320 CA GLN A 20 -8.204 5.755 -2.155 1.00 0.00 C ATOM 321 C GLN A 20 -8.319 7.277 -2.290 1.00 0.00 C ATOM 322 O GLN A 20 -7.511 8.014 -1.766 1.00 0.00 O ATOM 323 CB GLN A 20 -7.691 5.167 -3.470 1.00 0.00 C ATOM 324 CG GLN A 20 -7.398 3.676 -3.287 1.00 0.00 C ATOM 325 CD GLN A 20 -7.266 3.008 -4.657 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.714 3.666 -5.640 1.00 0.00 O flip ATOM 327 NE2 GLN A 20 -7.670 1.877 -4.836 1.00 0.00 N flip ATOM 0 H GLN A 20 -10.026 4.753 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.511 5.525 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.432 5.308 -4.257 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.788 5.689 -3.786 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.479 3.543 -2.716 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.199 3.205 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.101 1.362 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.578 1.442 -5.754 1.00 0.00 H new ATOM 336 N ILE A 21 -9.300 7.753 -3.006 1.00 0.00 N ATOM 337 CA ILE A 21 -9.442 9.227 -3.194 1.00 0.00 C ATOM 338 C ILE A 21 -9.588 9.945 -1.845 1.00 0.00 C ATOM 339 O ILE A 21 -9.091 11.033 -1.671 1.00 0.00 O ATOM 340 CB ILE A 21 -10.663 9.527 -4.084 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.415 10.818 -4.877 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.919 9.704 -3.223 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.333 10.587 -5.939 1.00 0.00 C ATOM 0 H ILE A 21 -10.010 7.186 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.539 9.597 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.811 8.691 -4.768 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.339 11.144 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.107 11.615 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.774 9.915 -3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.106 8.790 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.772 10.533 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.166 11.510 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.406 10.283 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.657 9.804 -6.625 1.00 0.00 H new ATOM 355 N LYS A 22 -10.290 9.375 -0.905 1.00 0.00 N ATOM 356 CA LYS A 22 -10.478 10.076 0.401 1.00 0.00 C ATOM 357 C LYS A 22 -9.160 10.160 1.180 1.00 0.00 C ATOM 358 O LYS A 22 -8.491 11.179 1.179 1.00 0.00 O ATOM 359 CB LYS A 22 -11.511 9.321 1.240 1.00 0.00 C ATOM 360 CG LYS A 22 -12.909 9.539 0.652 1.00 0.00 C ATOM 361 CD LYS A 22 -13.962 8.897 1.566 1.00 0.00 C ATOM 362 CE LYS A 22 -14.413 9.906 2.626 1.00 0.00 C ATOM 363 NZ LYS A 22 -15.189 9.201 3.685 1.00 0.00 N ATOM 0 H LYS A 22 -10.739 8.462 -0.981 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.824 11.089 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.274 8.257 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.481 9.670 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.107 10.606 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.966 9.104 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.818 8.569 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.548 8.011 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.546 10.401 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.026 10.682 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.495 9.886 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.024 8.748 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.590 8.476 4.130 1.00 0.00 H new ATOM 377 N GLU A 23 -8.794 9.105 1.858 1.00 0.00 N ATOM 378 CA GLU A 23 -7.531 9.124 2.655 1.00 0.00 C ATOM 379 C GLU A 23 -6.443 9.861 1.871 1.00 0.00 C ATOM 380 O GLU A 23 -5.669 10.621 2.418 1.00 0.00 O ATOM 381 CB GLU A 23 -7.086 7.679 2.927 1.00 0.00 C ATOM 382 CG GLU A 23 -6.462 7.575 4.323 1.00 0.00 C ATOM 383 CD GLU A 23 -5.387 8.651 4.492 1.00 0.00 C ATOM 384 OE1 GLU A 23 -5.740 9.767 4.831 1.00 0.00 O ATOM 385 OE2 GLU A 23 -4.227 8.339 4.282 1.00 0.00 O ATOM 0 H GLU A 23 -9.315 8.229 1.895 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.700 9.638 3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.940 7.007 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.364 7.364 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.232 7.694 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.025 6.586 4.463 1.00 0.00 H new ATOM 392 N HIS A 24 -6.388 9.640 0.590 1.00 0.00 N ATOM 393 CA HIS A 24 -5.366 10.319 -0.250 1.00 0.00 C ATOM 394 C HIS A 24 -5.864 11.722 -0.607 1.00 0.00 C ATOM 395 O HIS A 24 -5.111 12.672 -0.641 1.00 0.00 O ATOM 396 CB HIS A 24 -5.121 9.493 -1.515 1.00 0.00 C ATOM 397 CG HIS A 24 -4.980 8.041 -1.131 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.794 7.444 -0.175 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.116 7.056 -1.547 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.403 6.162 -0.050 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.388 5.877 -0.864 1.00 0.00 N ATOM 0 H HIS A 24 -7.013 9.012 0.084 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.426 10.407 0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.948 9.619 -2.214 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.220 9.838 -2.022 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.343 7.180 -2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.856 5.452 0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.911 4.981 -0.965 1.00 0.00 H new ATOM 410 N GLY A 25 -7.138 11.847 -0.870 1.00 0.00 N ATOM 411 CA GLY A 25 -7.726 13.175 -1.223 1.00 0.00 C ATOM 412 C GLY A 25 -7.103 14.272 -0.362 1.00 0.00 C ATOM 413 O GLY A 25 -6.884 15.375 -0.818 1.00 0.00 O ATOM 0 H GLY A 25 -7.806 11.076 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.554 13.388 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.806 13.154 -1.074 1.00 0.00 H new ATOM 417 N LEU A 26 -6.831 13.980 0.882 1.00 0.00 N ATOM 418 CA LEU A 26 -6.234 15.016 1.781 1.00 0.00 C ATOM 419 C LEU A 26 -5.240 15.870 0.981 1.00 0.00 C ATOM 420 O LEU A 26 -5.176 17.073 1.140 1.00 0.00 O ATOM 421 CB LEU A 26 -5.508 14.321 2.947 1.00 0.00 C ATOM 422 CG LEU A 26 -6.099 14.778 4.286 1.00 0.00 C ATOM 423 CD1 LEU A 26 -5.642 13.829 5.397 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.614 16.196 4.601 1.00 0.00 C ATOM 0 H LEU A 26 -6.995 13.072 1.316 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.020 15.658 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.601 13.239 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.444 14.553 2.913 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.187 14.769 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.062 14.154 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.984 12.818 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.554 13.838 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.034 16.521 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.526 16.203 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.937 16.875 3.811 1.00 0.00 H new ATOM 436 N LYS A 27 -4.483 15.264 0.107 1.00 0.00 N ATOM 437 CA LYS A 27 -3.520 16.047 -0.718 1.00 0.00 C ATOM 438 C LYS A 27 -4.201 16.425 -2.035 1.00 0.00 C ATOM 439 O LYS A 27 -5.198 15.842 -2.413 1.00 0.00 O ATOM 440 CB LYS A 27 -2.280 15.196 -1.005 1.00 0.00 C ATOM 441 CG LYS A 27 -1.553 14.894 0.306 1.00 0.00 C ATOM 442 CD LYS A 27 -0.217 14.212 0.006 1.00 0.00 C ATOM 443 CE LYS A 27 0.341 13.593 1.288 1.00 0.00 C ATOM 444 NZ LYS A 27 0.637 14.671 2.273 1.00 0.00 N ATOM 0 H LYS A 27 -4.490 14.260 -0.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.216 16.947 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.570 14.266 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.615 15.723 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.385 15.817 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.168 14.251 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.353 13.441 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.490 14.936 -0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.378 12.890 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.247 13.029 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.170 14.274 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.203 15.414 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.255 15.079 2.620 1.00 0.00 H new ATOM 458 N LYS A 28 -3.682 17.395 -2.736 1.00 0.00 N ATOM 459 CA LYS A 28 -4.315 17.802 -4.025 1.00 0.00 C ATOM 460 C LYS A 28 -4.661 16.554 -4.843 1.00 0.00 C ATOM 461 O LYS A 28 -4.119 15.490 -4.626 1.00 0.00 O ATOM 462 CB LYS A 28 -3.342 18.679 -4.818 1.00 0.00 C ATOM 463 CG LYS A 28 -2.034 17.916 -5.050 1.00 0.00 C ATOM 464 CD LYS A 28 -0.944 18.888 -5.520 1.00 0.00 C ATOM 465 CE LYS A 28 -0.214 19.474 -4.307 1.00 0.00 C ATOM 466 NZ LYS A 28 0.528 18.390 -3.604 1.00 0.00 N ATOM 0 H LYS A 28 -2.849 17.923 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.226 18.364 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.785 18.959 -5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.144 19.603 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.722 17.422 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.185 17.135 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.236 18.370 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.388 19.689 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.477 20.254 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.929 19.939 -3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.392 18.781 -3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.074 17.984 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.785 17.647 -4.285 1.00 0.00 H new ATOM 480 N SER A 29 -5.561 16.678 -5.784 1.00 0.00 N ATOM 481 CA SER A 29 -5.943 15.501 -6.618 1.00 0.00 C ATOM 482 C SER A 29 -4.682 14.738 -7.021 1.00 0.00 C ATOM 483 O SER A 29 -4.018 15.079 -7.979 1.00 0.00 O ATOM 484 CB SER A 29 -6.672 15.979 -7.875 1.00 0.00 C ATOM 485 OG SER A 29 -5.833 16.875 -8.590 1.00 0.00 O ATOM 0 H SER A 29 -6.048 17.545 -6.011 1.00 0.00 H new ATOM 0 HA SER A 29 -6.600 14.847 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.934 15.128 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.604 16.474 -7.603 1.00 0.00 H new ATOM 0 HG SER A 29 -4.917 16.526 -8.602 1.00 0.00 H new ATOM 491 N ASN A 30 -4.339 13.716 -6.283 1.00 0.00 N ATOM 492 CA ASN A 30 -3.109 12.935 -6.606 1.00 0.00 C ATOM 493 C ASN A 30 -3.434 11.439 -6.653 1.00 0.00 C ATOM 494 O ASN A 30 -2.836 10.647 -5.953 1.00 0.00 O ATOM 495 CB ASN A 30 -2.055 13.197 -5.523 1.00 0.00 C ATOM 496 CG ASN A 30 -0.656 12.950 -6.092 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.216 12.286 -5.383 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 -0.353 13.367 -7.193 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.858 13.388 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.728 13.243 -7.579 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.136 14.223 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.230 12.545 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.034 13.886 -7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.583 13.198 -7.563 1.00 0.00 H new ATOM 505 N LEU A 31 -4.368 11.041 -7.474 1.00 0.00 N ATOM 506 CA LEU A 31 -4.707 9.593 -7.555 1.00 0.00 C ATOM 507 C LEU A 31 -5.449 9.290 -8.859 1.00 0.00 C ATOM 508 O LEU A 31 -6.579 9.692 -9.050 1.00 0.00 O ATOM 509 CB LEU A 31 -5.599 9.205 -6.373 1.00 0.00 C ATOM 510 CG LEU A 31 -5.727 7.673 -6.309 1.00 0.00 C ATOM 511 CD1 LEU A 31 -4.755 7.114 -5.268 1.00 0.00 C ATOM 512 CD2 LEU A 31 -7.158 7.286 -5.924 1.00 0.00 C ATOM 0 H LEU A 31 -4.907 11.652 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.781 9.019 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.175 9.584 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.584 9.659 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.490 7.258 -7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.850 6.029 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.734 7.379 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.987 7.536 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.242 6.200 -5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.399 7.708 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.853 7.674 -6.669 1.00 0.00 H new ATOM 524 N GLN A 32 -4.826 8.562 -9.750 1.00 0.00 N ATOM 525 CA GLN A 32 -5.493 8.202 -11.036 1.00 0.00 C ATOM 526 C GLN A 32 -5.315 6.698 -11.261 1.00 0.00 C ATOM 527 O GLN A 32 -4.643 6.265 -12.177 1.00 0.00 O ATOM 528 CB GLN A 32 -4.861 8.997 -12.190 1.00 0.00 C ATOM 529 CG GLN A 32 -5.738 10.208 -12.527 1.00 0.00 C ATOM 530 CD GLN A 32 -6.036 11.000 -11.253 1.00 0.00 C ATOM 531 OE1 GLN A 32 -5.143 11.295 -10.485 1.00 0.00 O ATOM 532 NE2 GLN A 32 -7.264 11.359 -10.994 1.00 0.00 N ATOM 0 H GLN A 32 -3.879 8.200 -9.641 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.555 8.446 -10.997 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.860 9.327 -11.911 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.753 8.359 -13.067 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.232 10.845 -13.252 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.669 9.878 -12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.015 11.111 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.473 11.887 -10.147 1.00 0.00 H new ATOM 541 N LEU A 33 -5.908 5.902 -10.414 1.00 0.00 N ATOM 542 CA LEU A 33 -5.778 4.424 -10.546 1.00 0.00 C ATOM 543 C LEU A 33 -6.893 3.889 -11.449 1.00 0.00 C ATOM 544 O LEU A 33 -8.060 4.145 -11.231 1.00 0.00 O ATOM 545 CB LEU A 33 -5.890 3.790 -9.152 1.00 0.00 C ATOM 546 CG LEU A 33 -5.001 2.547 -9.068 1.00 0.00 C ATOM 547 CD1 LEU A 33 -5.186 1.880 -7.704 1.00 0.00 C ATOM 548 CD2 LEU A 33 -5.392 1.561 -10.171 1.00 0.00 C ATOM 0 H LEU A 33 -6.481 6.215 -9.631 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.813 4.174 -10.988 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.593 4.511 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.926 3.520 -8.949 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.959 2.839 -9.194 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.553 0.995 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.908 2.580 -6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.229 1.590 -7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.758 0.676 -10.110 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.435 1.269 -10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.262 2.034 -11.144 1.00 0.00 H new ATOM 560 N ARG A 34 -6.541 3.143 -12.461 1.00 0.00 N ATOM 561 CA ARG A 34 -7.578 2.586 -13.379 1.00 0.00 C ATOM 562 C ARG A 34 -8.028 1.216 -12.868 1.00 0.00 C ATOM 563 O ARG A 34 -7.296 0.523 -12.189 1.00 0.00 O ATOM 564 CB ARG A 34 -6.988 2.439 -14.784 1.00 0.00 C ATOM 565 CG ARG A 34 -6.897 3.815 -15.447 1.00 0.00 C ATOM 566 CD ARG A 34 -6.434 3.656 -16.897 1.00 0.00 C ATOM 567 NE ARG A 34 -6.087 4.995 -17.454 1.00 0.00 N ATOM 568 CZ ARG A 34 -6.172 5.215 -18.739 1.00 0.00 C ATOM 569 NH1 ARG A 34 -6.555 4.262 -19.544 1.00 0.00 N ATOM 570 NH2 ARG A 34 -5.872 6.391 -19.218 1.00 0.00 N ATOM 0 H ARG A 34 -5.579 2.894 -12.693 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.434 3.260 -13.413 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.999 1.984 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.611 1.775 -15.384 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.868 4.309 -15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.199 4.449 -14.899 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.569 2.995 -16.944 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.221 3.194 -17.493 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.782 5.742 -16.830 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.789 3.342 -19.170 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.620 4.437 -20.547 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.572 7.136 -18.590 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.938 6.565 -20.221 1.00 0.00 H new ATOM 584 N ASP A 35 -9.230 0.819 -13.187 1.00 0.00 N ATOM 585 CA ASP A 35 -9.730 -0.505 -12.718 1.00 0.00 C ATOM 586 C ASP A 35 -8.841 -1.622 -13.271 1.00 0.00 C ATOM 587 O ASP A 35 -8.453 -2.526 -12.559 1.00 0.00 O ATOM 588 CB ASP A 35 -11.165 -0.707 -13.209 1.00 0.00 C ATOM 589 CG ASP A 35 -12.080 0.331 -12.555 1.00 0.00 C ATOM 590 OD1 ASP A 35 -11.609 1.426 -12.295 1.00 0.00 O ATOM 591 OD2 ASP A 35 -13.235 0.013 -12.325 1.00 0.00 O ATOM 0 H ASP A 35 -9.888 1.355 -13.753 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.706 -0.534 -11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.206 -0.611 -14.294 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.506 -1.713 -12.965 1.00 0.00 H new ATOM 596 N GLN A 36 -8.518 -1.569 -14.534 1.00 0.00 N ATOM 597 CA GLN A 36 -7.657 -2.631 -15.131 1.00 0.00 C ATOM 598 C GLN A 36 -6.464 -2.905 -14.209 1.00 0.00 C ATOM 599 O GLN A 36 -6.135 -4.041 -13.923 1.00 0.00 O ATOM 600 CB GLN A 36 -7.156 -2.170 -16.505 1.00 0.00 C ATOM 601 CG GLN A 36 -6.987 -0.648 -16.506 1.00 0.00 C ATOM 602 CD GLN A 36 -6.128 -0.228 -17.701 1.00 0.00 C ATOM 603 OE1 GLN A 36 -6.549 0.568 -18.516 1.00 0.00 O ATOM 604 NE2 GLN A 36 -4.934 -0.734 -17.840 1.00 0.00 N ATOM 0 H GLN A 36 -8.813 -0.836 -15.179 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.237 -3.547 -15.247 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.206 -2.652 -16.737 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.862 -2.468 -17.280 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.962 -0.164 -16.558 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.519 -0.323 -15.577 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.581 -1.402 -17.155 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.354 -0.461 -18.633 1.00 0.00 H new ATOM 613 N ALA A 37 -5.812 -1.876 -13.741 1.00 0.00 N ATOM 614 CA ALA A 37 -4.644 -2.081 -12.840 1.00 0.00 C ATOM 615 C ALA A 37 -5.105 -2.774 -11.555 1.00 0.00 C ATOM 616 O ALA A 37 -4.602 -3.817 -11.188 1.00 0.00 O ATOM 617 CB ALA A 37 -4.020 -0.727 -12.499 1.00 0.00 C ATOM 0 H ALA A 37 -6.038 -0.902 -13.944 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.903 -2.705 -13.340 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.165 -0.876 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.690 -0.237 -13.415 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.759 -0.101 -11.999 1.00 0.00 H new ATOM 623 N ILE A 38 -6.060 -2.202 -10.871 1.00 0.00 N ATOM 624 CA ILE A 38 -6.559 -2.826 -9.610 1.00 0.00 C ATOM 625 C ILE A 38 -6.736 -4.334 -9.825 1.00 0.00 C ATOM 626 O ILE A 38 -6.450 -5.131 -8.957 1.00 0.00 O ATOM 627 CB ILE A 38 -7.906 -2.193 -9.226 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.663 -0.877 -8.469 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.708 -3.159 -8.344 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.464 -1.156 -6.975 1.00 0.00 C ATOM 0 H ILE A 38 -6.517 -1.328 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.841 -2.658 -8.807 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.474 -1.987 -10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.785 -0.373 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.509 -0.205 -8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.661 -2.702 -8.077 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.890 -4.085 -8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.144 -3.378 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.293 -0.217 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.354 -1.640 -6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.603 -1.810 -6.839 1.00 0.00 H new ATOM 642 N LEU A 39 -7.214 -4.724 -10.974 1.00 0.00 N ATOM 643 CA LEU A 39 -7.412 -6.175 -11.246 1.00 0.00 C ATOM 644 C LEU A 39 -6.053 -6.855 -11.420 1.00 0.00 C ATOM 645 O LEU A 39 -5.841 -7.966 -10.979 1.00 0.00 O ATOM 646 CB LEU A 39 -8.239 -6.348 -12.524 1.00 0.00 C ATOM 647 CG LEU A 39 -9.685 -5.901 -12.271 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.334 -5.494 -13.595 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.486 -7.052 -11.652 1.00 0.00 C ATOM 0 H LEU A 39 -7.476 -4.100 -11.737 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.939 -6.631 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.803 -5.761 -13.332 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.221 -7.391 -12.842 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.680 -5.053 -11.586 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.361 -5.177 -13.414 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.773 -4.671 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.332 -6.344 -14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.511 -6.728 -11.475 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.487 -7.903 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.030 -7.345 -10.706 1.00 0.00 H new ATOM 661 N ASP A 40 -5.133 -6.200 -12.070 1.00 0.00 N ATOM 662 CA ASP A 40 -3.787 -6.809 -12.283 1.00 0.00 C ATOM 663 C ASP A 40 -3.121 -7.097 -10.933 1.00 0.00 C ATOM 664 O ASP A 40 -2.750 -8.218 -10.640 1.00 0.00 O ATOM 665 CB ASP A 40 -2.914 -5.841 -13.087 1.00 0.00 C ATOM 666 CG ASP A 40 -3.305 -5.904 -14.564 1.00 0.00 C ATOM 667 OD1 ASP A 40 -4.493 -5.922 -14.842 1.00 0.00 O ATOM 668 OD2 ASP A 40 -2.410 -5.934 -15.392 1.00 0.00 O ATOM 0 H ASP A 40 -5.253 -5.267 -12.465 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.900 -7.745 -12.830 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.038 -4.826 -12.711 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.862 -6.099 -12.968 1.00 0.00 H new ATOM 673 N ILE A 41 -2.955 -6.096 -10.110 1.00 0.00 N ATOM 674 CA ILE A 41 -2.302 -6.324 -8.789 1.00 0.00 C ATOM 675 C ILE A 41 -2.900 -7.570 -8.122 1.00 0.00 C ATOM 676 O ILE A 41 -2.235 -8.572 -7.965 1.00 0.00 O ATOM 677 CB ILE A 41 -2.487 -5.093 -7.885 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.184 -5.474 -6.432 1.00 0.00 C ATOM 679 CG2 ILE A 41 -3.922 -4.565 -7.983 1.00 0.00 C ATOM 680 CD1 ILE A 41 -1.939 -4.206 -5.609 1.00 0.00 C ATOM 0 H ILE A 41 -3.242 -5.135 -10.294 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.235 -6.483 -8.943 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.801 -4.312 -8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.017 -6.037 -6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.308 -6.122 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.034 -3.694 -7.337 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.136 -4.282 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.618 -5.343 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.724 -4.479 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.092 -3.661 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.827 -3.575 -5.640 1.00 0.00 H new ATOM 692 N ILE A 42 -4.144 -7.524 -7.733 1.00 0.00 N ATOM 693 CA ILE A 42 -4.758 -8.717 -7.082 1.00 0.00 C ATOM 694 C ILE A 42 -4.430 -9.971 -7.896 1.00 0.00 C ATOM 695 O ILE A 42 -4.168 -11.025 -7.353 1.00 0.00 O ATOM 696 CB ILE A 42 -6.276 -8.541 -6.996 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.905 -9.821 -6.439 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.844 -8.260 -8.387 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.339 -9.533 -5.991 1.00 0.00 C ATOM 0 H ILE A 42 -4.760 -6.717 -7.836 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.354 -8.823 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.505 -7.703 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.900 -10.602 -7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.318 -10.191 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.925 -8.136 -8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.398 -7.349 -8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.615 -9.095 -9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.786 -10.445 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.331 -8.766 -5.216 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.923 -9.183 -6.842 1.00 0.00 H new ATOM 711 N ARG A 43 -4.445 -9.866 -9.198 1.00 0.00 N ATOM 712 CA ARG A 43 -4.138 -11.055 -10.044 1.00 0.00 C ATOM 713 C ARG A 43 -2.773 -11.634 -9.656 1.00 0.00 C ATOM 714 O ARG A 43 -2.598 -12.835 -9.592 1.00 0.00 O ATOM 715 CB ARG A 43 -4.117 -10.651 -11.522 1.00 0.00 C ATOM 716 CG ARG A 43 -4.324 -11.894 -12.396 1.00 0.00 C ATOM 717 CD ARG A 43 -3.835 -11.611 -13.820 1.00 0.00 C ATOM 718 NE ARG A 43 -2.356 -11.785 -13.880 1.00 0.00 N ATOM 719 CZ ARG A 43 -1.775 -12.060 -15.016 1.00 0.00 C ATOM 720 NH1 ARG A 43 -2.487 -12.180 -16.102 1.00 0.00 N ATOM 721 NH2 ARG A 43 -0.479 -12.214 -15.065 1.00 0.00 N ATOM 0 H ARG A 43 -4.656 -9.010 -9.711 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.909 -11.809 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.900 -9.919 -11.721 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.167 -10.176 -11.766 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.781 -12.740 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.379 -12.168 -12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.320 -12.287 -14.524 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.105 -10.597 -14.114 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.797 -11.689 -13.032 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.499 -12.059 -16.064 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.032 -12.395 -16.989 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.078 -12.119 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.024 -12.429 -15.952 1.00 0.00 H new ATOM 735 N TYR A 44 -1.802 -10.797 -9.396 1.00 0.00 N ATOM 736 CA TYR A 44 -0.460 -11.324 -9.016 1.00 0.00 C ATOM 737 C TYR A 44 -0.474 -11.718 -7.538 1.00 0.00 C ATOM 738 O TYR A 44 0.098 -12.715 -7.146 1.00 0.00 O ATOM 739 CB TYR A 44 0.606 -10.250 -9.255 1.00 0.00 C ATOM 740 CG TYR A 44 0.330 -9.532 -10.559 1.00 0.00 C ATOM 741 CD1 TYR A 44 0.007 -10.261 -11.712 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.402 -8.135 -10.615 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.244 -9.593 -12.916 1.00 0.00 C ATOM 744 CE2 TYR A 44 0.149 -7.467 -11.820 1.00 0.00 C ATOM 745 CZ TYR A 44 -0.173 -8.196 -12.970 1.00 0.00 C ATOM 746 OH TYR A 44 -0.422 -7.538 -14.158 1.00 0.00 O ATOM 0 H TYR A 44 -1.880 -9.781 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.226 -12.197 -9.625 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.608 -9.537 -8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.595 -10.707 -9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.048 -11.339 -11.671 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.653 -7.572 -9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.493 -10.156 -13.804 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.202 -6.389 -11.861 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.058 -8.057 -14.693 1.00 0.00 H new ATOM 756 N TYR A 45 -1.123 -10.942 -6.717 1.00 0.00 N ATOM 757 CA TYR A 45 -1.176 -11.265 -5.265 1.00 0.00 C ATOM 758 C TYR A 45 -2.196 -12.378 -5.025 1.00 0.00 C ATOM 759 O TYR A 45 -1.852 -13.480 -4.643 1.00 0.00 O ATOM 760 CB TYR A 45 -1.590 -10.016 -4.487 1.00 0.00 C ATOM 761 CG TYR A 45 -0.440 -9.039 -4.471 1.00 0.00 C ATOM 762 CD1 TYR A 45 -0.016 -8.443 -5.663 1.00 0.00 C ATOM 763 CD2 TYR A 45 0.202 -8.729 -3.268 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.049 -7.540 -5.657 1.00 0.00 C ATOM 765 CE2 TYR A 45 1.269 -7.824 -3.259 1.00 0.00 C ATOM 766 CZ TYR A 45 1.693 -7.229 -4.454 1.00 0.00 C ATOM 767 OH TYR A 45 2.746 -6.338 -4.445 1.00 0.00 O ATOM 0 H TYR A 45 -1.621 -10.095 -6.990 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.194 -11.598 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.465 -9.559 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.870 -10.284 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.514 -8.682 -6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.125 -9.188 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.375 -7.082 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.766 -7.584 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 45 3.078 -6.234 -3.529 1.00 0.00 H new ATOM 777 N THR A 46 -3.450 -12.100 -5.246 1.00 0.00 N ATOM 778 CA THR A 46 -4.494 -13.139 -5.034 1.00 0.00 C ATOM 779 C THR A 46 -4.358 -13.728 -3.626 1.00 0.00 C ATOM 780 O THR A 46 -5.051 -14.659 -3.266 1.00 0.00 O ATOM 781 CB THR A 46 -4.323 -14.249 -6.079 1.00 0.00 C ATOM 782 OG1 THR A 46 -3.763 -13.698 -7.262 1.00 0.00 O ATOM 783 CG2 THR A 46 -5.684 -14.868 -6.399 1.00 0.00 C ATOM 0 H THR A 46 -3.797 -11.196 -5.565 1.00 0.00 H new ATOM 0 HA THR A 46 -5.482 -12.690 -5.138 1.00 0.00 H new ATOM 0 HB THR A 46 -3.661 -15.020 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.042 -12.763 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.560 -15.656 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.114 -15.290 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.349 -14.100 -6.793 1.00 0.00 H new ATOM 791 N ARG A 47 -3.477 -13.194 -2.823 1.00 0.00 N ATOM 792 CA ARG A 47 -3.313 -13.731 -1.442 1.00 0.00 C ATOM 793 C ARG A 47 -4.544 -13.367 -0.611 1.00 0.00 C ATOM 794 O ARG A 47 -4.580 -12.352 0.056 1.00 0.00 O ATOM 795 CB ARG A 47 -2.054 -13.138 -0.793 1.00 0.00 C ATOM 796 CG ARG A 47 -1.965 -11.625 -1.072 1.00 0.00 C ATOM 797 CD ARG A 47 -1.879 -10.857 0.252 1.00 0.00 C ATOM 798 NE ARG A 47 -0.781 -11.426 1.085 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.252 -10.715 2.044 1.00 0.00 C ATOM 800 NH1 ARG A 47 -0.686 -9.506 2.276 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.711 -11.213 2.770 1.00 0.00 N ATOM 0 H ARG A 47 -2.867 -12.413 -3.062 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.208 -14.815 -1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.074 -13.315 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.167 -13.638 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.090 -11.410 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.838 -11.298 -1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.694 -9.800 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.827 -10.923 0.786 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.443 -12.371 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.438 -9.117 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.273 -8.951 3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.050 -12.158 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.124 -10.658 3.519 1.00 0.00 H new ATOM 815 N GLU A 48 -5.558 -14.188 -0.651 1.00 0.00 N ATOM 816 CA GLU A 48 -6.793 -13.895 0.129 1.00 0.00 C ATOM 817 C GLU A 48 -6.459 -13.825 1.621 1.00 0.00 C ATOM 818 O GLU A 48 -5.583 -14.514 2.104 1.00 0.00 O ATOM 819 CB GLU A 48 -7.823 -15.000 -0.112 1.00 0.00 C ATOM 820 CG GLU A 48 -7.303 -16.318 0.464 1.00 0.00 C ATOM 821 CD GLU A 48 -8.129 -17.480 -0.092 1.00 0.00 C ATOM 822 OE1 GLU A 48 -9.325 -17.498 0.149 1.00 0.00 O ATOM 823 OE2 GLU A 48 -7.551 -18.332 -0.747 1.00 0.00 O ATOM 0 H GLU A 48 -5.584 -15.052 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.203 -12.938 -0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.771 -14.736 0.356 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.013 -15.108 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.252 -16.450 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.366 -16.301 1.552 1.00 0.00 H new ATOM 830 N ALA A 49 -7.155 -12.997 2.351 1.00 0.00 N ATOM 831 CA ALA A 49 -6.889 -12.874 3.812 1.00 0.00 C ATOM 832 C ALA A 49 -7.731 -11.728 4.378 1.00 0.00 C ATOM 833 O ALA A 49 -7.210 -10.746 4.871 1.00 0.00 O ATOM 834 CB ALA A 49 -5.402 -12.583 4.040 1.00 0.00 C ATOM 0 H ALA A 49 -7.900 -12.398 1.996 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.152 -13.805 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.209 -12.493 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.805 -13.398 3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.133 -11.651 3.543 1.00 0.00 H new ATOM 840 N GLY A 50 -9.029 -11.840 4.303 1.00 0.00 N ATOM 841 CA GLY A 50 -9.903 -10.753 4.830 1.00 0.00 C ATOM 842 C GLY A 50 -9.736 -9.507 3.959 1.00 0.00 C ATOM 843 O GLY A 50 -8.636 -9.120 3.616 1.00 0.00 O ATOM 0 H GLY A 50 -9.522 -12.637 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.944 -11.075 4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.640 -10.527 5.863 1.00 0.00 H new ATOM 847 N VAL A 51 -10.817 -8.878 3.595 1.00 0.00 N ATOM 848 CA VAL A 51 -10.720 -7.661 2.740 1.00 0.00 C ATOM 849 C VAL A 51 -9.837 -6.614 3.420 1.00 0.00 C ATOM 850 O VAL A 51 -9.060 -5.940 2.776 1.00 0.00 O ATOM 851 CB VAL A 51 -12.116 -7.078 2.515 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.885 -7.963 1.534 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.871 -7.020 3.846 1.00 0.00 C ATOM 0 H VAL A 51 -11.765 -9.153 3.852 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.280 -7.935 1.781 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.025 -6.072 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.880 -7.548 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.351 -8.003 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.973 -8.969 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.865 -6.604 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.961 -8.025 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.325 -6.389 4.547 1.00 0.00 H new ATOM 863 N ARG A 52 -9.953 -6.466 4.712 1.00 0.00 N ATOM 864 CA ARG A 52 -9.121 -5.454 5.430 1.00 0.00 C ATOM 865 C ARG A 52 -7.695 -5.463 4.873 1.00 0.00 C ATOM 866 O ARG A 52 -7.133 -4.430 4.560 1.00 0.00 O ATOM 867 CB ARG A 52 -9.088 -5.791 6.923 1.00 0.00 C ATOM 868 CG ARG A 52 -8.467 -4.626 7.702 1.00 0.00 C ATOM 869 CD ARG A 52 -9.401 -3.408 7.668 1.00 0.00 C ATOM 870 NE ARG A 52 -9.235 -2.622 8.923 1.00 0.00 N ATOM 871 CZ ARG A 52 -8.134 -1.953 9.133 1.00 0.00 C ATOM 872 NH1 ARG A 52 -7.176 -1.976 8.246 1.00 0.00 N ATOM 873 NH2 ARG A 52 -7.990 -1.263 10.231 1.00 0.00 N ATOM 0 H ARG A 52 -10.588 -7.002 5.303 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.555 -4.464 5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.098 -5.985 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.510 -6.700 7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.285 -4.925 8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.501 -4.365 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.173 -2.785 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.436 -3.733 7.563 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.982 -2.607 9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.288 -2.517 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.316 -1.453 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.738 -1.247 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.130 -0.740 10.396 1.00 0.00 H new ATOM 887 N SER A 53 -7.106 -6.618 4.745 1.00 0.00 N ATOM 888 CA SER A 53 -5.718 -6.690 4.210 1.00 0.00 C ATOM 889 C SER A 53 -5.709 -6.265 2.743 1.00 0.00 C ATOM 890 O SER A 53 -4.927 -5.430 2.332 1.00 0.00 O ATOM 891 CB SER A 53 -5.197 -8.120 4.325 1.00 0.00 C ATOM 892 OG SER A 53 -5.598 -8.667 5.575 1.00 0.00 O ATOM 0 H SER A 53 -7.525 -7.516 4.988 1.00 0.00 H new ATOM 0 HA SER A 53 -5.078 -6.022 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.585 -8.728 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.110 -8.131 4.242 1.00 0.00 H new ATOM 0 HG SER A 53 -6.099 -9.496 5.424 1.00 0.00 H new ATOM 898 N LEU A 54 -6.573 -6.829 1.947 1.00 0.00 N ATOM 899 CA LEU A 54 -6.610 -6.452 0.508 1.00 0.00 C ATOM 900 C LEU A 54 -6.666 -4.929 0.404 1.00 0.00 C ATOM 901 O LEU A 54 -5.862 -4.309 -0.262 1.00 0.00 O ATOM 902 CB LEU A 54 -7.849 -7.064 -0.152 1.00 0.00 C ATOM 903 CG LEU A 54 -7.875 -6.711 -1.644 1.00 0.00 C ATOM 904 CD1 LEU A 54 -6.635 -7.286 -2.339 1.00 0.00 C ATOM 905 CD2 LEU A 54 -9.135 -7.304 -2.280 1.00 0.00 C ATOM 0 H LEU A 54 -7.254 -7.534 2.230 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.720 -6.825 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.841 -8.147 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.751 -6.693 0.334 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.878 -5.627 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.661 -7.031 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.737 -6.866 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.625 -8.370 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.158 -7.056 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.127 -8.387 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -10.018 -6.892 -1.791 1.00 0.00 H new ATOM 917 N GLU A 55 -7.605 -4.322 1.074 1.00 0.00 N ATOM 918 CA GLU A 55 -7.710 -2.840 1.035 1.00 0.00 C ATOM 919 C GLU A 55 -6.375 -2.236 1.463 1.00 0.00 C ATOM 920 O GLU A 55 -5.928 -1.249 0.915 1.00 0.00 O ATOM 921 CB GLU A 55 -8.810 -2.378 1.993 1.00 0.00 C ATOM 922 CG GLU A 55 -10.167 -2.896 1.512 1.00 0.00 C ATOM 923 CD GLU A 55 -11.174 -2.838 2.661 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.066 -3.657 3.559 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.037 -1.976 2.625 1.00 0.00 O ATOM 0 H GLU A 55 -8.306 -4.791 1.648 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.955 -2.515 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.606 -2.745 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.824 -1.289 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.521 -2.295 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.070 -3.920 1.151 1.00 0.00 H new ATOM 932 N ARG A 56 -5.734 -2.818 2.439 1.00 0.00 N ATOM 933 CA ARG A 56 -4.427 -2.268 2.895 1.00 0.00 C ATOM 934 C ARG A 56 -3.410 -2.357 1.757 1.00 0.00 C ATOM 935 O ARG A 56 -2.612 -1.465 1.555 1.00 0.00 O ATOM 936 CB ARG A 56 -3.924 -3.070 4.098 1.00 0.00 C ATOM 937 CG ARG A 56 -2.821 -2.283 4.810 1.00 0.00 C ATOM 938 CD ARG A 56 -2.072 -3.206 5.771 1.00 0.00 C ATOM 939 NE ARG A 56 -1.174 -4.108 4.995 1.00 0.00 N ATOM 940 CZ ARG A 56 -0.199 -4.732 5.598 1.00 0.00 C ATOM 941 NH1 ARG A 56 -0.014 -4.571 6.880 1.00 0.00 N ATOM 942 NH2 ARG A 56 0.590 -5.519 4.918 1.00 0.00 N ATOM 0 H ARG A 56 -6.057 -3.647 2.938 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.555 -1.225 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.746 -3.268 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.542 -4.037 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.130 -1.864 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.253 -1.445 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.489 -2.616 6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.781 -3.794 6.354 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.321 -4.237 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.632 -3.957 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.748 -5.059 7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.444 -5.646 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.352 -6.007 5.388 1.00 0.00 H new ATOM 956 N GLN A 57 -3.429 -3.428 1.011 1.00 0.00 N ATOM 957 CA GLN A 57 -2.458 -3.569 -0.112 1.00 0.00 C ATOM 958 C GLN A 57 -2.708 -2.471 -1.149 1.00 0.00 C ATOM 959 O GLN A 57 -1.799 -1.777 -1.563 1.00 0.00 O ATOM 960 CB GLN A 57 -2.635 -4.938 -0.771 1.00 0.00 C ATOM 961 CG GLN A 57 -1.446 -5.216 -1.692 1.00 0.00 C ATOM 962 CD GLN A 57 -0.197 -5.491 -0.850 1.00 0.00 C ATOM 963 OE1 GLN A 57 -0.307 -5.598 0.446 1.00 0.00 O flip ATOM 964 NE2 GLN A 57 0.891 -5.608 -1.378 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.073 -4.210 1.130 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.443 -3.478 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.708 -5.714 -0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.564 -4.962 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.661 -6.072 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.274 -4.363 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.978 -5.525 -2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.717 -5.790 -0.808 1.00 0.00 H new ATOM 973 N LEU A 58 -3.933 -2.306 -1.573 1.00 0.00 N ATOM 974 CA LEU A 58 -4.233 -1.252 -2.582 1.00 0.00 C ATOM 975 C LEU A 58 -3.981 0.119 -1.960 1.00 0.00 C ATOM 976 O LEU A 58 -3.394 0.990 -2.567 1.00 0.00 O ATOM 977 CB LEU A 58 -5.692 -1.370 -3.024 1.00 0.00 C ATOM 978 CG LEU A 58 -6.008 -2.838 -3.316 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.461 -2.972 -3.778 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.075 -3.354 -4.415 1.00 0.00 C ATOM 0 H LEU A 58 -4.736 -2.854 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.590 -1.376 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.353 -0.991 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.866 -0.764 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.862 -3.424 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.682 -4.019 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.127 -2.609 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.611 -2.384 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.301 -4.400 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.219 -2.765 -5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.040 -3.265 -4.085 1.00 0.00 H new ATOM 992 N ALA A 59 -4.395 0.314 -0.743 1.00 0.00 N ATOM 993 CA ALA A 59 -4.144 1.620 -0.084 1.00 0.00 C ATOM 994 C ALA A 59 -2.636 1.854 -0.074 1.00 0.00 C ATOM 995 O ALA A 59 -2.159 2.958 -0.248 1.00 0.00 O ATOM 996 CB ALA A 59 -4.672 1.584 1.352 1.00 0.00 C ATOM 0 H ALA A 59 -4.895 -0.372 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.651 2.422 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.486 2.545 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.744 1.386 1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.163 0.796 1.907 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.885 0.806 0.135 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.401 0.934 0.167 1.00 0.00 C ATOM 1004 C ALA A 60 0.113 1.438 -1.185 1.00 0.00 C ATOM 1005 O ALA A 60 0.688 2.500 -1.274 1.00 0.00 O ATOM 1006 CB ALA A 60 0.220 -0.432 0.469 1.00 0.00 C ATOM 0 H ALA A 60 -2.239 -0.139 0.286 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.121 1.647 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.306 -0.341 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.136 -0.788 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.067 -1.142 -0.307 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.074 0.687 -2.236 1.00 0.00 N ATOM 1013 CA ILE A 61 0.427 1.146 -3.566 1.00 0.00 C ATOM 1014 C ILE A 61 -0.081 2.566 -3.847 1.00 0.00 C ATOM 1015 O ILE A 61 0.646 3.418 -4.323 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.052 0.176 -4.664 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.935 0.195 -5.837 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.441 0.579 -5.169 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.376 -0.645 -6.990 1.00 0.00 C ATOM 0 H ILE A 61 -0.547 -0.217 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 61 1.517 1.158 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.105 -0.827 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.103 1.220 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.900 -0.200 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.763 -0.117 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.150 0.554 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.400 1.587 -5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.078 -0.631 -7.824 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.231 -1.672 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.579 -0.230 -7.313 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.325 2.827 -3.553 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.888 4.185 -3.803 1.00 0.00 C ATOM 1033 C CYS A 62 -1.068 5.237 -3.051 1.00 0.00 C ATOM 1034 O CYS A 62 -0.270 5.947 -3.631 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.339 4.227 -3.321 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.331 3.071 -4.299 1.00 0.00 S ATOM 0 H CYS A 62 -1.978 2.156 -3.149 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.849 4.400 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.391 3.964 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.737 5.237 -3.418 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.058 3.734 -5.149 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.260 5.347 -1.764 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.494 6.360 -0.981 1.00 0.00 C ATOM 1044 C ARG A 63 0.991 6.259 -1.328 1.00 0.00 C ATOM 1045 O ARG A 63 1.624 7.242 -1.647 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.681 6.100 0.510 1.00 0.00 C ATOM 1047 CG ARG A 63 -1.795 6.988 1.070 1.00 0.00 C ATOM 1048 CD ARG A 63 -1.918 6.765 2.580 1.00 0.00 C ATOM 1049 NE ARG A 63 -2.711 5.531 2.836 1.00 0.00 N ATOM 1050 CZ ARG A 63 -2.996 5.180 4.061 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -2.582 5.908 5.061 1.00 0.00 N ATOM 1052 NH2 ARG A 63 -3.695 4.101 4.284 1.00 0.00 N ATOM 0 H ARG A 63 -1.912 4.781 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.859 7.357 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.926 5.051 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.251 6.297 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.577 8.036 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.740 6.756 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.928 6.673 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.400 7.624 3.047 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.032 4.960 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.036 6.751 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.805 5.634 6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.019 3.532 3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.918 3.826 5.241 1.00 0.00 H new ATOM 1066 N LYS A 64 1.555 5.077 -1.269 1.00 0.00 N ATOM 1067 CA LYS A 64 2.999 4.930 -1.611 1.00 0.00 C ATOM 1068 C LYS A 64 3.269 5.791 -2.836 1.00 0.00 C ATOM 1069 O LYS A 64 4.277 6.463 -2.939 1.00 0.00 O ATOM 1070 CB LYS A 64 3.313 3.463 -1.925 1.00 0.00 C ATOM 1071 CG LYS A 64 4.825 3.279 -2.111 1.00 0.00 C ATOM 1072 CD LYS A 64 5.507 3.142 -0.745 1.00 0.00 C ATOM 1073 CE LYS A 64 6.949 2.669 -0.939 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.662 3.602 -1.856 1.00 0.00 N ATOM 0 H LYS A 64 1.080 4.215 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 64 3.626 5.243 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.957 2.825 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.787 3.155 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.021 2.393 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.240 4.130 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.494 4.099 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.961 2.432 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.461 2.626 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.959 1.660 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.688 3.449 -1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.359 3.426 -2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.438 4.584 -1.596 1.00 0.00 H new ATOM 1088 N ALA A 65 2.343 5.795 -3.750 1.00 0.00 N ATOM 1089 CA ALA A 65 2.494 6.635 -4.961 1.00 0.00 C ATOM 1090 C ALA A 65 2.337 8.102 -4.551 1.00 0.00 C ATOM 1091 O ALA A 65 3.019 8.974 -5.051 1.00 0.00 O ATOM 1092 CB ALA A 65 1.418 6.258 -5.984 1.00 0.00 C ATOM 0 H ALA A 65 1.483 5.248 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 65 3.474 6.478 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.530 6.877 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.526 5.208 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.431 6.421 -5.551 1.00 0.00 H new ATOM 1098 N ALA A 66 1.439 8.381 -3.636 1.00 0.00 N ATOM 1099 CA ALA A 66 1.244 9.790 -3.192 1.00 0.00 C ATOM 1100 C ALA A 66 2.544 10.321 -2.583 1.00 0.00 C ATOM 1101 O ALA A 66 2.918 11.458 -2.786 1.00 0.00 O ATOM 1102 CB ALA A 66 0.129 9.848 -2.144 1.00 0.00 C ATOM 0 H ALA A 66 0.837 7.694 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 66 0.968 10.403 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.013 10.879 -1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.798 9.473 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.403 9.233 -1.287 1.00 0.00 H new ATOM 1108 N LYS A 67 3.236 9.505 -1.837 1.00 0.00 N ATOM 1109 CA LYS A 67 4.511 9.961 -1.215 1.00 0.00 C ATOM 1110 C LYS A 67 5.528 10.281 -2.312 1.00 0.00 C ATOM 1111 O LYS A 67 6.270 11.238 -2.227 1.00 0.00 O ATOM 1112 CB LYS A 67 5.060 8.854 -0.313 1.00 0.00 C ATOM 1113 CG LYS A 67 6.296 9.363 0.433 1.00 0.00 C ATOM 1114 CD LYS A 67 6.825 8.261 1.355 1.00 0.00 C ATOM 1115 CE LYS A 67 8.257 8.591 1.780 1.00 0.00 C ATOM 1116 NZ LYS A 67 8.296 9.953 2.385 1.00 0.00 N ATOM 0 H LYS A 67 2.973 8.541 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 67 4.328 10.856 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.297 8.540 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.318 7.979 -0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.067 9.658 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.043 10.249 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.186 8.170 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.800 7.300 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.614 7.852 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.923 8.545 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.169 10.062 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.274 10.669 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.473 10.080 3.007 1.00 0.00 H new ATOM 1130 N ALA A 68 5.568 9.482 -3.342 1.00 0.00 N ATOM 1131 CA ALA A 68 6.537 9.731 -4.448 1.00 0.00 C ATOM 1132 C ALA A 68 6.492 11.208 -4.848 1.00 0.00 C ATOM 1133 O ALA A 68 7.384 11.709 -5.503 1.00 0.00 O ATOM 1134 CB ALA A 68 6.166 8.864 -5.654 1.00 0.00 C ATOM 0 H ALA A 68 4.970 8.665 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 68 7.543 9.478 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.873 9.045 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.200 7.812 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.160 9.117 -5.988 1.00 0.00 H new ATOM 1140 N ILE A 69 5.461 11.907 -4.462 1.00 0.00 N ATOM 1141 CA ILE A 69 5.364 13.351 -4.822 1.00 0.00 C ATOM 1142 C ILE A 69 6.573 14.099 -4.254 1.00 0.00 C ATOM 1143 O ILE A 69 6.978 15.122 -4.769 1.00 0.00 O ATOM 1144 CB ILE A 69 4.072 13.938 -4.237 1.00 0.00 C ATOM 1145 CG1 ILE A 69 2.856 13.395 -5.004 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.104 15.466 -4.333 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.930 13.784 -6.487 1.00 0.00 C ATOM 0 H ILE A 69 4.682 11.542 -3.914 1.00 0.00 H new ATOM 0 HA ILE A 69 5.350 13.457 -5.907 1.00 0.00 H new ATOM 0 HB ILE A 69 3.993 13.647 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.815 12.310 -4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.939 13.788 -4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.184 15.876 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.958 15.848 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.193 15.763 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.059 13.389 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.946 14.870 -6.578 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.837 13.369 -6.927 1.00 0.00 H new ATOM 1239 N LYS A 75 1.137 15.942 -10.699 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.155 15.771 -9.974 1.00 0.00 C ATOM 1241 C LYS A 75 -0.934 14.606 -10.587 1.00 0.00 C ATOM 1242 O LYS A 75 -0.601 14.110 -11.645 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.982 17.056 -10.088 1.00 0.00 C ATOM 1244 CG LYS A 75 -0.242 18.216 -9.403 1.00 0.00 C ATOM 1245 CD LYS A 75 0.585 18.994 -10.435 1.00 0.00 C ATOM 1246 CE LYS A 75 -0.301 20.031 -11.132 1.00 0.00 C ATOM 1247 NZ LYS A 75 0.329 20.435 -12.422 1.00 0.00 N ATOM 0 HA LYS A 75 0.045 15.562 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.158 17.294 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.959 16.913 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.959 18.882 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.410 17.830 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.423 19.489 -9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.005 18.308 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.292 19.615 -11.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.433 20.902 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.272 21.139 -12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.266 20.847 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.433 19.601 -13.034 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.971 14.167 -9.928 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.774 13.032 -10.468 1.00 0.00 C ATOM 1263 C ARG A 76 -1.840 11.903 -10.906 1.00 0.00 C ATOM 1264 O ARG A 76 -1.553 11.742 -12.075 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.591 13.509 -11.673 1.00 0.00 C ATOM 1266 CG ARG A 76 -4.599 14.576 -11.232 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.759 14.638 -12.232 1.00 0.00 C ATOM 1268 NE ARG A 76 -6.355 16.004 -12.218 1.00 0.00 N ATOM 1269 CZ ARG A 76 -5.826 16.956 -12.938 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -4.771 16.714 -13.668 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -6.352 18.150 -12.927 1.00 0.00 N ATOM 0 H ARG A 76 -2.298 14.545 -9.039 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.447 12.667 -9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.927 13.917 -12.435 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.115 12.666 -12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.977 14.343 -10.236 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.109 15.548 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.403 14.395 -13.233 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.516 13.897 -11.974 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.177 16.195 -11.645 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.360 15.781 -13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.358 17.458 -14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.176 18.339 -12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.939 18.894 -13.489 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.365 11.116 -9.979 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.454 9.998 -10.351 1.00 0.00 C ATOM 1287 C ILE A 77 -1.244 8.930 -11.107 1.00 0.00 C ATOM 1288 O ILE A 77 -2.161 8.333 -10.579 1.00 0.00 O ATOM 1289 CB ILE A 77 0.150 9.383 -9.090 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.897 10.465 -8.307 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.125 8.270 -9.483 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.280 9.924 -6.931 1.00 0.00 C ATOM 0 H ILE A 77 -1.568 11.199 -8.983 1.00 0.00 H new ATOM 0 HA ILE A 77 0.346 10.381 -10.985 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.644 8.967 -8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.791 10.771 -8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.270 11.350 -8.200 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.557 7.830 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.593 7.501 -10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.921 8.685 -10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.812 10.694 -6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.379 9.640 -6.388 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.923 9.052 -7.049 1.00 0.00 H new ATOM 1304 N THR A 78 -0.898 8.683 -12.341 1.00 0.00 N ATOM 1305 CA THR A 78 -1.633 7.654 -13.129 1.00 0.00 C ATOM 1306 C THR A 78 -0.983 6.288 -12.920 1.00 0.00 C ATOM 1307 O THR A 78 0.210 6.126 -13.080 1.00 0.00 O ATOM 1308 CB THR A 78 -1.586 8.017 -14.615 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.785 9.416 -14.766 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.682 7.258 -15.366 1.00 0.00 C ATOM 0 H THR A 78 -0.138 9.149 -12.837 1.00 0.00 H new ATOM 0 HA THR A 78 -2.670 7.618 -12.796 1.00 0.00 H new ATOM 0 HB THR A 78 -0.614 7.742 -15.025 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.753 9.650 -15.717 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.646 7.519 -16.424 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.526 6.185 -15.251 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.656 7.528 -14.959 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.765 5.303 -12.565 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.201 3.938 -12.346 1.00 0.00 C ATOM 1320 C VAL A 79 -1.619 3.024 -13.500 1.00 0.00 C ATOM 1321 O VAL A 79 -2.653 3.209 -14.110 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.735 3.373 -11.029 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -0.899 2.159 -10.618 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.643 4.446 -9.941 1.00 0.00 C ATOM 0 H VAL A 79 -2.771 5.385 -12.417 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.113 3.995 -12.303 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.775 3.072 -11.158 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.279 1.756 -9.679 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.962 1.395 -11.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.141 2.460 -10.489 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.023 4.045 -9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.603 4.746 -9.813 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.237 5.312 -10.233 1.00 0.00 H new ATOM 1334 N THR A 80 -0.820 2.036 -13.804 1.00 0.00 N ATOM 1335 CA THR A 80 -1.168 1.107 -14.918 1.00 0.00 C ATOM 1336 C THR A 80 -0.502 -0.248 -14.672 1.00 0.00 C ATOM 1337 O THR A 80 0.269 -0.412 -13.746 1.00 0.00 O ATOM 1338 CB THR A 80 -0.666 1.689 -16.243 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.708 2.023 -16.121 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.470 2.943 -16.592 1.00 0.00 C ATOM 0 H THR A 80 0.059 1.832 -13.329 1.00 0.00 H new ATOM 0 HA THR A 80 -2.250 0.980 -14.964 1.00 0.00 H new ATOM 0 HB THR A 80 -0.792 0.950 -17.034 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.793 2.938 -15.780 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.111 3.355 -17.535 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.525 2.684 -16.687 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.348 3.685 -15.802 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.789 -1.222 -15.492 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.167 -2.562 -15.300 1.00 0.00 C ATOM 1350 C GLU A 81 1.355 -2.428 -15.357 1.00 0.00 C ATOM 1351 O GLU A 81 2.082 -3.277 -14.880 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.647 -3.512 -16.402 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.064 -3.080 -17.753 1.00 0.00 C ATOM 1354 CD GLU A 81 1.339 -3.669 -17.922 1.00 0.00 C ATOM 1355 OE1 GLU A 81 1.434 -4.851 -18.205 1.00 0.00 O ATOM 1356 OE2 GLU A 81 2.294 -2.927 -17.764 1.00 0.00 O ATOM 0 H GLU A 81 -1.426 -1.148 -16.285 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.457 -2.964 -14.329 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.341 -4.533 -16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.736 -3.509 -16.448 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.710 -3.417 -18.563 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.022 -1.992 -17.811 1.00 0.00 H new ATOM 1363 N LYS A 82 1.845 -1.364 -15.936 1.00 0.00 N ATOM 1364 CA LYS A 82 3.321 -1.170 -16.023 1.00 0.00 C ATOM 1365 C LYS A 82 3.803 -0.406 -14.789 1.00 0.00 C ATOM 1366 O LYS A 82 4.614 -0.889 -14.023 1.00 0.00 O ATOM 1367 CB LYS A 82 3.655 -0.368 -17.284 1.00 0.00 C ATOM 1368 CG LYS A 82 5.144 -0.507 -17.603 1.00 0.00 C ATOM 1369 CD LYS A 82 5.454 0.210 -18.918 1.00 0.00 C ATOM 1370 CE LYS A 82 6.880 -0.124 -19.360 1.00 0.00 C ATOM 1371 NZ LYS A 82 7.031 -1.602 -19.478 1.00 0.00 N ATOM 0 H LYS A 82 1.285 -0.620 -16.353 1.00 0.00 H new ATOM 0 HA LYS A 82 3.817 -2.140 -16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.058 -0.726 -18.123 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.401 0.682 -17.137 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.741 -0.082 -16.796 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.414 -1.560 -17.679 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.743 -0.095 -19.686 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.344 1.287 -18.791 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.096 0.352 -20.317 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.597 0.269 -18.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.748 -1.821 -20.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.330 -1.995 -18.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.121 -2.023 -19.755 1.00 0.00 H new ATOM 1385 N ASN A 83 3.305 0.784 -14.588 1.00 0.00 N ATOM 1386 CA ASN A 83 3.725 1.583 -13.402 1.00 0.00 C ATOM 1387 C ASN A 83 3.697 0.698 -12.154 1.00 0.00 C ATOM 1388 O ASN A 83 4.550 0.796 -11.293 1.00 0.00 O ATOM 1389 CB ASN A 83 2.765 2.759 -13.213 1.00 0.00 C ATOM 1390 CG ASN A 83 2.972 3.774 -14.338 1.00 0.00 C ATOM 1391 OD1 ASN A 83 1.962 4.109 -15.092 1.00 0.00 O flip ATOM 1392 ND2 ASN A 83 4.066 4.267 -14.533 1.00 0.00 N flip ATOM 0 H ASN A 83 2.623 1.238 -15.196 1.00 0.00 H new ATOM 0 HA ASN A 83 4.736 1.960 -13.558 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.734 2.404 -13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.938 3.232 -12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 83 4.856 4.005 -13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.194 4.943 -15.286 1.00 0.00 H new ATOM 1399 N LEU A 84 2.719 -0.161 -12.049 1.00 0.00 N ATOM 1400 CA LEU A 84 2.624 -1.054 -10.856 1.00 0.00 C ATOM 1401 C LEU A 84 4.019 -1.544 -10.460 1.00 0.00 C ATOM 1402 O LEU A 84 4.459 -1.352 -9.346 1.00 0.00 O ATOM 1403 CB LEU A 84 1.736 -2.256 -11.189 1.00 0.00 C ATOM 1404 CG LEU A 84 1.729 -3.244 -10.009 1.00 0.00 C ATOM 1405 CD1 LEU A 84 0.302 -3.734 -9.754 1.00 0.00 C ATOM 1406 CD2 LEU A 84 2.621 -4.446 -10.332 1.00 0.00 C ATOM 0 H LEU A 84 1.979 -0.284 -12.740 1.00 0.00 H new ATOM 0 HA LEU A 84 2.191 -0.498 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.720 -1.922 -11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.102 -2.752 -12.088 1.00 0.00 H new ATOM 0 HG LEU A 84 2.107 -2.737 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.301 -4.433 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.338 -2.884 -9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.076 -4.234 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.612 -5.142 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.246 -4.948 -11.224 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.641 -4.105 -10.509 1.00 0.00 H new ATOM 1418 N GLN A 85 4.721 -2.170 -11.364 1.00 0.00 N ATOM 1419 CA GLN A 85 6.086 -2.663 -11.029 1.00 0.00 C ATOM 1420 C GLN A 85 6.914 -1.510 -10.458 1.00 0.00 C ATOM 1421 O GLN A 85 7.673 -1.680 -9.525 1.00 0.00 O ATOM 1422 CB GLN A 85 6.763 -3.206 -12.292 1.00 0.00 C ATOM 1423 CG GLN A 85 5.819 -4.186 -13.006 1.00 0.00 C ATOM 1424 CD GLN A 85 6.632 -5.319 -13.639 1.00 0.00 C ATOM 1425 OE1 GLN A 85 7.373 -6.004 -12.962 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.522 -5.548 -14.919 1.00 0.00 N ATOM 0 H GLN A 85 4.410 -2.361 -12.316 1.00 0.00 H new ATOM 0 HA GLN A 85 6.013 -3.461 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.022 -2.384 -12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.694 -3.709 -12.030 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.099 -4.595 -12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.248 -3.662 -13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.900 -4.974 -15.488 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.058 -6.301 -15.350 1.00 0.00 H new ATOM 1435 N ASP A 86 6.772 -0.335 -11.010 1.00 0.00 N ATOM 1436 CA ASP A 86 7.550 0.828 -10.498 1.00 0.00 C ATOM 1437 C ASP A 86 7.217 1.059 -9.022 1.00 0.00 C ATOM 1438 O ASP A 86 8.079 1.363 -8.223 1.00 0.00 O ATOM 1439 CB ASP A 86 7.194 2.080 -11.304 1.00 0.00 C ATOM 1440 CG ASP A 86 7.238 1.758 -12.798 1.00 0.00 C ATOM 1441 OD1 ASP A 86 7.423 0.599 -13.132 1.00 0.00 O ATOM 1442 OD2 ASP A 86 7.085 2.678 -13.587 1.00 0.00 O ATOM 0 H ASP A 86 6.151 -0.131 -11.793 1.00 0.00 H new ATOM 0 HA ASP A 86 8.615 0.622 -10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.201 2.433 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.893 2.884 -11.074 1.00 0.00 H new ATOM 1447 N PHE A 87 5.971 0.919 -8.653 1.00 0.00 N ATOM 1448 CA PHE A 87 5.594 1.131 -7.225 1.00 0.00 C ATOM 1449 C PHE A 87 5.927 -0.128 -6.425 1.00 0.00 C ATOM 1450 O PHE A 87 6.804 -0.132 -5.585 1.00 0.00 O ATOM 1451 CB PHE A 87 4.091 1.409 -7.121 1.00 0.00 C ATOM 1452 CG PHE A 87 3.762 2.736 -7.768 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.312 3.921 -7.263 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.900 2.782 -8.873 1.00 0.00 C ATOM 1455 CE1 PHE A 87 4.002 5.148 -7.860 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.591 4.010 -9.470 1.00 0.00 C ATOM 1457 CZ PHE A 87 3.142 5.193 -8.964 1.00 0.00 C ATOM 0 H PHE A 87 5.202 0.668 -9.275 1.00 0.00 H new ATOM 0 HA PHE A 87 6.148 1.982 -6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.531 0.610 -7.607 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.787 1.421 -6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.976 3.888 -6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.474 1.870 -9.264 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.426 6.061 -7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.927 4.045 -10.321 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.904 6.140 -9.425 1.00 0.00 H new ATOM 1467 N ILE A 88 5.227 -1.196 -6.684 1.00 0.00 N ATOM 1468 CA ILE A 88 5.488 -2.463 -5.948 1.00 0.00 C ATOM 1469 C ILE A 88 6.860 -3.014 -6.352 1.00 0.00 C ATOM 1470 O ILE A 88 7.726 -3.213 -5.523 1.00 0.00 O ATOM 1471 CB ILE A 88 4.377 -3.467 -6.285 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.303 -3.433 -5.192 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.942 -4.887 -6.394 1.00 0.00 C ATOM 1474 CD1 ILE A 88 2.020 -4.086 -5.712 1.00 0.00 C ATOM 0 H ILE A 88 4.481 -1.246 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 88 5.492 -2.284 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 88 3.941 -3.188 -7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.656 -3.958 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.104 -2.403 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.137 -5.582 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.695 -4.919 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.396 -5.172 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.258 -4.061 -4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.664 -3.542 -6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.224 -5.121 -5.987 1.00 0.00 H new ATOM 1486 N GLY A 89 7.065 -3.269 -7.616 1.00 0.00 N ATOM 1487 CA GLY A 89 8.378 -3.812 -8.059 1.00 0.00 C ATOM 1488 C GLY A 89 8.596 -5.187 -7.426 1.00 0.00 C ATOM 1489 O GLY A 89 8.241 -5.418 -6.289 1.00 0.00 O ATOM 0 H GLY A 89 6.381 -3.125 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.404 -3.891 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.181 -3.134 -7.770 1.00 0.00 H new ATOM 1493 N LYS A 90 9.171 -6.102 -8.157 1.00 0.00 N ATOM 1494 CA LYS A 90 9.410 -7.465 -7.600 1.00 0.00 C ATOM 1495 C LYS A 90 8.074 -8.092 -7.195 1.00 0.00 C ATOM 1496 O LYS A 90 7.579 -7.872 -6.107 1.00 0.00 O ATOM 1497 CB LYS A 90 10.319 -7.365 -6.370 1.00 0.00 C ATOM 1498 CG LYS A 90 10.859 -8.756 -6.005 1.00 0.00 C ATOM 1499 CD LYS A 90 12.190 -9.002 -6.721 1.00 0.00 C ATOM 1500 CE LYS A 90 12.746 -10.367 -6.311 1.00 0.00 C ATOM 1501 NZ LYS A 90 12.872 -10.428 -4.827 1.00 0.00 N ATOM 0 H LYS A 90 9.486 -5.965 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 90 9.890 -8.086 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.147 -6.686 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.764 -6.949 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.997 -8.831 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.137 -9.522 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.046 -8.966 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.902 -8.217 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.087 -11.161 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.718 -10.530 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.566 -11.157 -4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.188 -9.505 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.949 -10.664 -4.410 1.00 0.00 H new ATOM 1515 N ARG A 91 7.484 -8.870 -8.061 1.00 0.00 N ATOM 1516 CA ARG A 91 6.180 -9.507 -7.721 1.00 0.00 C ATOM 1517 C ARG A 91 6.407 -10.614 -6.689 1.00 0.00 C ATOM 1518 O ARG A 91 7.528 -10.977 -6.390 1.00 0.00 O ATOM 1519 CB ARG A 91 5.556 -10.105 -8.986 1.00 0.00 C ATOM 1520 CG ARG A 91 6.413 -11.273 -9.480 1.00 0.00 C ATOM 1521 CD ARG A 91 6.031 -11.613 -10.924 1.00 0.00 C ATOM 1522 NE ARG A 91 4.580 -11.347 -11.131 1.00 0.00 N ATOM 1523 CZ ARG A 91 4.010 -11.681 -12.257 1.00 0.00 C ATOM 1524 NH1 ARG A 91 4.710 -12.249 -13.200 1.00 0.00 N ATOM 1525 NH2 ARG A 91 2.739 -11.445 -12.440 1.00 0.00 N ATOM 0 H ARG A 91 7.848 -9.092 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 91 5.507 -8.757 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.543 -10.448 -8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.481 -9.343 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.470 -11.012 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.266 -12.142 -8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.623 -11.017 -11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.253 -12.659 -11.133 1.00 0.00 H new ATOM 0 HE ARG A 91 4.032 -10.904 -10.393 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.703 -12.432 -13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.264 -12.510 -14.080 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.192 -11.000 -11.703 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.293 -11.706 -13.320 1.00 0.00 H new ATOM 1539 N ILE A 92 5.352 -11.151 -6.138 1.00 0.00 N ATOM 1540 CA ILE A 92 5.503 -12.231 -5.121 1.00 0.00 C ATOM 1541 C ILE A 92 5.305 -13.597 -5.782 1.00 0.00 C ATOM 1542 O ILE A 92 6.178 -14.442 -5.754 1.00 0.00 O ATOM 1543 CB ILE A 92 4.452 -12.047 -4.025 1.00 0.00 C ATOM 1544 CG1 ILE A 92 4.704 -10.726 -3.294 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.542 -13.205 -3.030 1.00 0.00 C ATOM 1546 CD1 ILE A 92 3.507 -10.402 -2.399 1.00 0.00 C ATOM 0 H ILE A 92 4.390 -10.887 -6.349 1.00 0.00 H new ATOM 0 HA ILE A 92 6.502 -12.179 -4.688 1.00 0.00 H new ATOM 0 HB ILE A 92 3.459 -12.031 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.611 -10.797 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.861 -9.923 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.793 -13.073 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.363 -14.146 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.535 -13.222 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.686 -9.461 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.609 -10.313 -3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.371 -11.200 -1.669 1.00 0.00 H new ATOM 1558 N PHE A 93 4.163 -13.823 -6.371 1.00 0.00 N ATOM 1559 CA PHE A 93 3.909 -15.136 -7.025 1.00 0.00 C ATOM 1560 C PHE A 93 4.776 -15.265 -8.280 1.00 0.00 C ATOM 1561 O PHE A 93 5.118 -14.285 -8.912 1.00 0.00 O ATOM 1562 CB PHE A 93 2.432 -15.234 -7.414 1.00 0.00 C ATOM 1563 CG PHE A 93 1.588 -15.321 -6.164 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.391 -14.185 -5.371 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.003 -16.540 -5.798 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.610 -14.267 -4.212 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.222 -16.621 -4.639 1.00 0.00 C ATOM 1568 CZ PHE A 93 0.026 -15.484 -3.846 1.00 0.00 C ATOM 0 H PHE A 93 3.395 -13.154 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 93 4.158 -15.938 -6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.141 -14.364 -8.002 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.267 -16.111 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.842 -13.245 -5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.154 -17.417 -6.410 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.458 -13.390 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.229 -17.561 -4.357 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.576 -15.547 -2.952 1.00 0.00 H new ATOM 1578 N ARG A 94 5.127 -16.471 -8.644 1.00 0.00 N ATOM 1579 CA ARG A 94 5.971 -16.680 -9.858 1.00 0.00 C ATOM 1580 C ARG A 94 5.250 -17.635 -10.812 1.00 0.00 C ATOM 1581 O ARG A 94 5.402 -18.838 -10.732 1.00 0.00 O ATOM 1582 CB ARG A 94 7.312 -17.291 -9.445 1.00 0.00 C ATOM 1583 CG ARG A 94 8.113 -16.269 -8.636 1.00 0.00 C ATOM 1584 CD ARG A 94 9.323 -16.954 -8.002 1.00 0.00 C ATOM 1585 NE ARG A 94 8.863 -17.898 -6.945 1.00 0.00 N ATOM 1586 CZ ARG A 94 9.719 -18.396 -6.096 1.00 0.00 C ATOM 1587 NH1 ARG A 94 10.980 -18.067 -6.171 1.00 0.00 N ATOM 1588 NH2 ARG A 94 9.316 -19.224 -5.170 1.00 0.00 N ATOM 0 H ARG A 94 4.864 -17.324 -8.150 1.00 0.00 H new ATOM 0 HA ARG A 94 6.144 -15.725 -10.355 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.146 -18.190 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.874 -17.591 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.440 -15.454 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.484 -15.829 -7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.890 -17.491 -8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.992 -16.209 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 94 7.878 -18.155 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.296 -17.420 -6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.649 -18.457 -5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.331 -19.482 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.986 -19.613 -4.507 1.00 0.00 H new ATOM 1602 N TYR A 95 4.465 -17.106 -11.713 1.00 0.00 N ATOM 1603 CA TYR A 95 3.727 -17.976 -12.676 1.00 0.00 C ATOM 1604 C TYR A 95 3.912 -17.435 -14.095 1.00 0.00 C ATOM 1605 O TYR A 95 2.984 -16.954 -14.712 1.00 0.00 O ATOM 1606 CB TYR A 95 2.238 -17.973 -12.320 1.00 0.00 C ATOM 1607 CG TYR A 95 1.533 -19.076 -13.075 1.00 0.00 C ATOM 1608 CD1 TYR A 95 1.634 -20.400 -12.632 1.00 0.00 C ATOM 1609 CD2 TYR A 95 0.779 -18.773 -14.215 1.00 0.00 C ATOM 1610 CE1 TYR A 95 0.979 -21.423 -13.330 1.00 0.00 C ATOM 1611 CE2 TYR A 95 0.126 -19.797 -14.912 1.00 0.00 C ATOM 1612 CZ TYR A 95 0.226 -21.121 -14.470 1.00 0.00 C ATOM 1613 OH TYR A 95 -0.420 -22.128 -15.158 1.00 0.00 O ATOM 0 H TYR A 95 4.302 -16.105 -11.824 1.00 0.00 H new ATOM 0 HA TYR A 95 4.114 -18.993 -12.622 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.110 -18.114 -11.247 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.796 -17.008 -12.569 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.216 -20.633 -11.753 1.00 0.00 H new ATOM 0 HD2 TYR A 95 0.701 -17.751 -14.556 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.055 -22.445 -12.988 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.456 -19.565 -15.792 1.00 0.00 H new ATOM 0 HH TYR A 95 -0.898 -21.746 -15.924 1.00 0.00 H new