USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 745 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 32 TYR OH : rot -90:sc= -3.74 USER MOD Set 1.2: A 34 MET CE :methyl -141:sc= -4.05 (180deg=-1.58!) USER MOD Set 2.1: A 17 SER OG : rot -170:sc= -0.195 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.0838 USER MOD Set 2.3: A 84 ASN : amide:sc= -2.6 K(o=-2.7,f=-5.8!) USER MOD Single : A 3 GLN : amide:sc=-0.00689 K(o=-0.0069,f=-0.88) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 7 SER OG : rot 33:sc= 0.8 USER MOD Single : A 13 GLN : amide:sc= -0.335 K(o=-0.34,f=-2.8!) USER MOD Single : A 21 SER OG : rot 55:sc= 0.166 USER MOD Single : A 39 GLN : amide:sc= -2.57 K(o=-2.6,f=-3.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 64:sc= 1.61 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 15:sc= -5.4 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0354 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.0831 (180deg=-0.517) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -124:sc= -1.82 (180deg=-5.83!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.332 (180deg=-1.09!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 94 TYR OH : rot -167:sc= -0.241 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 120:sc= -1.08 USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 9.610 10.833 -0.340 1.00 0.00 N ATOM 37 CA GLN A 3 8.185 10.995 -0.599 1.00 0.00 C ATOM 38 C GLN A 3 7.578 9.705 -1.141 1.00 0.00 C ATOM 39 O GLN A 3 8.290 8.737 -1.410 1.00 0.00 O ATOM 40 CB GLN A 3 7.954 12.135 -1.592 1.00 0.00 C ATOM 41 CG GLN A 3 8.658 11.935 -2.923 1.00 0.00 C ATOM 42 CD GLN A 3 8.914 13.241 -3.650 1.00 0.00 C ATOM 43 OE1 GLN A 3 8.339 14.275 -3.312 1.00 0.00 O ATOM 44 NE2 GLN A 3 9.780 13.198 -4.656 1.00 0.00 N ATOM 0 HA GLN A 3 7.696 11.236 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.884 12.240 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.296 13.069 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.607 11.425 -2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.054 11.284 -3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.233 12.318 -4.901 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.992 14.045 -5.183 1.00 0.00 H new ATOM 53 N LEU A 4 6.258 9.699 -1.300 1.00 0.00 N ATOM 54 CA LEU A 4 5.553 8.529 -1.811 1.00 0.00 C ATOM 55 C LEU A 4 4.332 8.942 -2.626 1.00 0.00 C ATOM 56 O LEU A 4 3.444 9.632 -2.126 1.00 0.00 O ATOM 57 CB LEU A 4 5.126 7.621 -0.656 1.00 0.00 C ATOM 58 CG LEU A 4 6.262 6.833 0.004 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.498 7.321 1.426 1.00 0.00 C ATOM 60 CD2 LEU A 4 5.956 5.343 -0.004 1.00 0.00 C ATOM 0 H LEU A 4 5.655 10.492 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 4 6.234 7.981 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.638 8.231 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.381 6.915 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 4 7.172 7.000 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.309 6.749 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.766 8.377 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.589 7.187 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.775 4.801 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.033 5.158 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.841 5.001 -1.032 1.00 0.00 H new ATOM 72 N GLN A 5 4.294 8.516 -3.885 1.00 0.00 N ATOM 73 CA GLN A 5 3.181 8.842 -4.769 1.00 0.00 C ATOM 74 C GLN A 5 2.427 7.582 -5.182 1.00 0.00 C ATOM 75 O GLN A 5 2.965 6.478 -5.119 1.00 0.00 O ATOM 76 CB GLN A 5 3.687 9.579 -6.011 1.00 0.00 C ATOM 77 CG GLN A 5 3.750 11.088 -5.839 1.00 0.00 C ATOM 78 CD GLN A 5 3.069 11.834 -6.970 1.00 0.00 C ATOM 79 OE1 GLN A 5 3.365 11.610 -8.144 1.00 0.00 O ATOM 80 NE2 GLN A 5 2.150 12.727 -6.621 1.00 0.00 N ATOM 0 H GLN A 5 5.021 7.945 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 5 2.495 9.491 -4.225 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.681 9.209 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.036 9.344 -6.853 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.281 11.362 -4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.793 11.400 -5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.936 12.880 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.658 13.259 -7.338 1.00 0.00 H new ATOM 89 N GLU A 6 1.178 7.757 -5.603 1.00 0.00 N ATOM 90 CA GLU A 6 0.347 6.635 -6.026 1.00 0.00 C ATOM 91 C GLU A 6 -0.154 6.835 -7.449 1.00 0.00 C ATOM 92 O GLU A 6 -0.004 7.910 -8.029 1.00 0.00 O ATOM 93 CB GLU A 6 -0.844 6.466 -5.079 1.00 0.00 C ATOM 94 CG GLU A 6 -0.514 6.738 -3.620 1.00 0.00 C ATOM 95 CD GLU A 6 -0.416 8.219 -3.313 1.00 0.00 C ATOM 96 OE1 GLU A 6 -1.464 8.899 -3.324 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.709 8.700 -3.061 1.00 0.00 O ATOM 0 H GLU A 6 0.719 8.666 -5.660 1.00 0.00 H new ATOM 0 HA GLU A 6 0.960 5.734 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.643 7.138 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.228 5.450 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.280 6.289 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.430 6.255 -3.368 1.00 0.00 H new ATOM 104 N SER A 7 -0.752 5.789 -8.001 1.00 0.00 N ATOM 105 CA SER A 7 -1.283 5.838 -9.359 1.00 0.00 C ATOM 106 C SER A 7 -2.306 4.730 -9.587 1.00 0.00 C ATOM 107 O SER A 7 -2.077 3.575 -9.229 1.00 0.00 O ATOM 108 CB SER A 7 -0.147 5.716 -10.377 1.00 0.00 C ATOM 109 OG SER A 7 0.426 6.982 -10.655 1.00 0.00 O ATOM 0 H SER A 7 -0.883 4.894 -7.530 1.00 0.00 H new ATOM 0 HA SER A 7 -1.781 6.798 -9.492 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.619 5.043 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.526 5.274 -11.299 1.00 0.00 H new ATOM 0 HG SER A 7 0.397 7.538 -9.849 1.00 0.00 H new ATOM 115 N GLY A 8 -3.436 5.091 -10.188 1.00 0.00 N ATOM 116 CA GLY A 8 -4.478 4.117 -10.458 1.00 0.00 C ATOM 117 C GLY A 8 -5.568 4.123 -9.403 1.00 0.00 C ATOM 118 O GLY A 8 -6.731 3.855 -9.703 1.00 0.00 O ATOM 0 H GLY A 8 -3.648 6.041 -10.493 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.920 4.323 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.035 3.122 -10.513 1.00 0.00 H new ATOM 122 N GLY A 9 -5.190 4.425 -8.165 1.00 0.00 N ATOM 123 CA GLY A 9 -6.145 4.455 -7.080 1.00 0.00 C ATOM 124 C GLY A 9 -7.363 5.299 -7.389 1.00 0.00 C ATOM 125 O GLY A 9 -7.255 6.380 -7.966 1.00 0.00 O ATOM 0 H GLY A 9 -4.232 4.650 -7.896 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.463 3.437 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.658 4.843 -6.185 1.00 0.00 H new ATOM 129 N GLY A 10 -8.521 4.795 -6.997 1.00 0.00 N ATOM 130 CA GLY A 10 -9.764 5.502 -7.230 1.00 0.00 C ATOM 131 C GLY A 10 -10.977 4.643 -6.938 1.00 0.00 C ATOM 132 O GLY A 10 -10.880 3.633 -6.241 1.00 0.00 O ATOM 0 H GLY A 10 -8.624 3.901 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.795 6.394 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.800 5.837 -8.266 1.00 0.00 H new ATOM 136 N LEU A 11 -12.123 5.053 -7.464 1.00 0.00 N ATOM 137 CA LEU A 11 -13.364 4.331 -7.255 1.00 0.00 C ATOM 138 C LEU A 11 -13.360 2.991 -7.983 1.00 0.00 C ATOM 139 O LEU A 11 -12.817 2.870 -9.081 1.00 0.00 O ATOM 140 CB LEU A 11 -14.540 5.179 -7.727 1.00 0.00 C ATOM 141 CG LEU A 11 -14.599 6.556 -7.078 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.377 7.651 -8.112 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.923 6.760 -6.356 1.00 0.00 C ATOM 0 H LEU A 11 -12.216 5.888 -8.042 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.463 4.130 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.480 5.299 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.468 4.647 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.798 6.615 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.423 8.625 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.398 7.522 -8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.150 7.590 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.941 7.750 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.743 6.673 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -16.035 6.002 -5.580 1.00 0.00 H new ATOM 155 N VAL A 12 -13.970 1.988 -7.361 1.00 0.00 N ATOM 156 CA VAL A 12 -14.041 0.655 -7.945 1.00 0.00 C ATOM 157 C VAL A 12 -15.131 -0.179 -7.278 1.00 0.00 C ATOM 158 O VAL A 12 -15.031 -0.521 -6.100 1.00 0.00 O ATOM 159 CB VAL A 12 -12.694 -0.082 -7.824 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.282 -0.211 -6.366 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.765 -1.448 -8.491 1.00 0.00 C ATOM 0 H VAL A 12 -14.423 2.074 -6.451 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.282 0.782 -9.000 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.935 0.506 -8.340 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.328 -0.734 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.181 0.782 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.041 -0.773 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.803 -1.951 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.538 -2.048 -8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.005 -1.325 -9.547 1.00 0.00 H new ATOM 171 N GLN A 13 -16.172 -0.502 -8.039 1.00 0.00 N ATOM 172 CA GLN A 13 -17.279 -1.294 -7.525 1.00 0.00 C ATOM 173 C GLN A 13 -16.801 -2.660 -7.047 1.00 0.00 C ATOM 174 O GLN A 13 -15.849 -3.221 -7.591 1.00 0.00 O ATOM 175 CB GLN A 13 -18.348 -1.458 -8.597 1.00 0.00 C ATOM 176 CG GLN A 13 -19.501 -0.475 -8.466 1.00 0.00 C ATOM 177 CD GLN A 13 -20.857 -1.148 -8.563 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.951 -2.346 -8.830 1.00 0.00 O ATOM 179 NE2 GLN A 13 -21.916 -0.376 -8.348 1.00 0.00 N ATOM 0 H GLN A 13 -16.270 -0.226 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.706 -0.767 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.888 -1.336 -9.578 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.741 -2.474 -8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.425 0.043 -7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.419 0.282 -9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -21.791 0.612 -8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -22.855 -0.771 -8.401 1.00 0.00 H new ATOM 188 N ALA A 14 -17.467 -3.189 -6.025 1.00 0.00 N ATOM 189 CA ALA A 14 -17.117 -4.487 -5.467 1.00 0.00 C ATOM 190 C ALA A 14 -16.963 -5.539 -6.560 1.00 0.00 C ATOM 191 O ALA A 14 -17.664 -5.506 -7.572 1.00 0.00 O ATOM 192 CB ALA A 14 -18.166 -4.923 -4.457 1.00 0.00 C ATOM 0 H ALA A 14 -18.256 -2.734 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.156 -4.389 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.894 -5.895 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.221 -4.191 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.136 -4.996 -4.948 1.00 0.00 H new ATOM 198 N GLY A 15 -16.040 -6.469 -6.350 1.00 0.00 N ATOM 199 CA GLY A 15 -15.807 -7.517 -7.326 1.00 0.00 C ATOM 200 C GLY A 15 -14.823 -7.103 -8.406 1.00 0.00 C ATOM 201 O GLY A 15 -14.416 -7.923 -9.228 1.00 0.00 O ATOM 0 H GLY A 15 -15.448 -6.517 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.430 -8.404 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.754 -7.793 -7.790 1.00 0.00 H new ATOM 205 N GLY A 16 -14.438 -5.829 -8.404 1.00 0.00 N ATOM 206 CA GLY A 16 -13.499 -5.338 -9.395 1.00 0.00 C ATOM 207 C GLY A 16 -12.115 -5.120 -8.818 1.00 0.00 C ATOM 208 O GLY A 16 -11.935 -4.315 -7.904 1.00 0.00 O ATOM 0 H GLY A 16 -14.760 -5.130 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.439 -6.049 -10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.869 -4.400 -9.810 1.00 0.00 H new ATOM 212 N SER A 17 -11.135 -5.843 -9.348 1.00 0.00 N ATOM 213 CA SER A 17 -9.761 -5.728 -8.876 1.00 0.00 C ATOM 214 C SER A 17 -9.155 -4.385 -9.270 1.00 0.00 C ATOM 215 O SER A 17 -9.303 -3.932 -10.405 1.00 0.00 O ATOM 216 CB SER A 17 -8.915 -6.874 -9.430 1.00 0.00 C ATOM 217 OG SER A 17 -7.563 -6.482 -9.608 1.00 0.00 O ATOM 0 H SER A 17 -11.267 -6.515 -10.104 1.00 0.00 H new ATOM 0 HA SER A 17 -9.770 -5.788 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.962 -7.724 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.328 -7.205 -10.383 1.00 0.00 H new ATOM 0 HG SER A 17 -7.084 -7.176 -10.107 1.00 0.00 H new ATOM 223 N LEU A 18 -8.467 -3.758 -8.323 1.00 0.00 N ATOM 224 CA LEU A 18 -7.830 -2.473 -8.560 1.00 0.00 C ATOM 225 C LEU A 18 -6.317 -2.596 -8.417 1.00 0.00 C ATOM 226 O LEU A 18 -5.821 -3.207 -7.470 1.00 0.00 O ATOM 227 CB LEU A 18 -8.369 -1.430 -7.584 1.00 0.00 C ATOM 228 CG LEU A 18 -7.897 -0.007 -7.852 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.701 0.619 -8.981 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.995 0.836 -6.590 1.00 0.00 C ATOM 0 H LEU A 18 -8.337 -4.123 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.058 -2.154 -9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.458 -1.450 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.075 -1.712 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.851 -0.044 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.349 1.635 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.575 0.028 -9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.756 0.643 -8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.653 1.849 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.031 0.866 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.371 0.398 -5.811 1.00 0.00 H new ATOM 242 N ARG A 19 -5.587 -2.024 -9.368 1.00 0.00 N ATOM 243 CA ARG A 19 -4.130 -2.084 -9.351 1.00 0.00 C ATOM 244 C ARG A 19 -3.519 -0.735 -8.985 1.00 0.00 C ATOM 245 O ARG A 19 -3.716 0.257 -9.686 1.00 0.00 O ATOM 246 CB ARG A 19 -3.611 -2.540 -10.709 1.00 0.00 C ATOM 247 CG ARG A 19 -2.556 -3.631 -10.625 1.00 0.00 C ATOM 248 CD ARG A 19 -1.174 -3.054 -10.364 1.00 0.00 C ATOM 249 NE ARG A 19 -0.395 -3.895 -9.459 1.00 0.00 N ATOM 250 CZ ARG A 19 0.144 -5.060 -9.810 1.00 0.00 C ATOM 251 NH1 ARG A 19 -0.004 -5.524 -11.046 1.00 0.00 N ATOM 252 NH2 ARG A 19 0.834 -5.764 -8.923 1.00 0.00 N ATOM 0 H ARG A 19 -5.980 -1.514 -10.159 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.833 -2.804 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.449 -2.902 -11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.193 -1.682 -11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.816 -4.329 -9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.544 -4.199 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.641 -2.946 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.272 -2.056 -9.938 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.256 -3.570 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.533 -4.987 -11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.412 -6.418 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.951 -5.412 -7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.248 -6.657 -9.191 1.00 0.00 H new ATOM 266 N LEU A 20 -2.765 -0.709 -7.889 1.00 0.00 N ATOM 267 CA LEU A 20 -2.113 0.513 -7.439 1.00 0.00 C ATOM 268 C LEU A 20 -0.604 0.399 -7.602 1.00 0.00 C ATOM 269 O LEU A 20 -0.018 -0.648 -7.330 1.00 0.00 O ATOM 270 CB LEU A 20 -2.458 0.803 -5.977 1.00 0.00 C ATOM 271 CG LEU A 20 -3.935 0.650 -5.611 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.187 1.155 -4.199 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.813 1.391 -6.608 1.00 0.00 C ATOM 0 H LEU A 20 -2.592 -1.522 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.475 1.338 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.873 0.136 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.146 1.821 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.192 -0.409 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.243 1.039 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.586 0.580 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.913 2.208 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.860 1.270 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.556 2.450 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.653 0.984 -7.606 1.00 0.00 H new ATOM 285 N SER A 21 0.017 1.481 -8.051 1.00 0.00 N ATOM 286 CA SER A 21 1.460 1.511 -8.259 1.00 0.00 C ATOM 287 C SER A 21 2.093 2.683 -7.520 1.00 0.00 C ATOM 288 O SER A 21 2.077 3.816 -8.002 1.00 0.00 O ATOM 289 CB SER A 21 1.775 1.607 -9.752 1.00 0.00 C ATOM 290 OG SER A 21 1.360 2.854 -10.282 1.00 0.00 O ATOM 0 H SER A 21 -0.458 2.354 -8.279 1.00 0.00 H new ATOM 0 HA SER A 21 1.879 0.587 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.846 1.480 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.276 0.798 -10.285 1.00 0.00 H new ATOM 0 HG SER A 21 1.762 3.581 -9.762 1.00 0.00 H new ATOM 296 N CYS A 22 2.652 2.404 -6.347 1.00 0.00 N ATOM 297 CA CYS A 22 3.293 3.437 -5.543 1.00 0.00 C ATOM 298 C CYS A 22 4.793 3.471 -5.806 1.00 0.00 C ATOM 299 O CYS A 22 5.449 2.431 -5.858 1.00 0.00 O ATOM 300 CB CYS A 22 3.026 3.197 -4.056 1.00 0.00 C ATOM 301 SG CYS A 22 3.847 4.386 -2.946 1.00 0.00 S ATOM 0 H CYS A 22 2.674 1.472 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 22 2.870 4.401 -5.826 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.951 3.237 -3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.354 2.190 -3.798 1.00 0.00 H new ATOM 306 N ALA A 23 5.330 4.674 -5.970 1.00 0.00 N ATOM 307 CA ALA A 23 6.755 4.845 -6.228 1.00 0.00 C ATOM 308 C ALA A 23 7.432 5.617 -5.102 1.00 0.00 C ATOM 309 O ALA A 23 6.835 6.511 -4.501 1.00 0.00 O ATOM 310 CB ALA A 23 6.970 5.551 -7.558 1.00 0.00 C ATOM 0 H ALA A 23 4.801 5.545 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 23 7.209 3.855 -6.276 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.038 5.672 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.532 4.957 -8.360 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.494 6.531 -7.531 1.00 0.00 H new ATOM 316 N ALA A 24 8.682 5.265 -4.820 1.00 0.00 N ATOM 317 CA ALA A 24 9.443 5.924 -3.766 1.00 0.00 C ATOM 318 C ALA A 24 10.821 6.345 -4.266 1.00 0.00 C ATOM 319 O ALA A 24 11.524 5.564 -4.908 1.00 0.00 O ATOM 320 CB ALA A 24 9.576 5.006 -2.561 1.00 0.00 C ATOM 0 H ALA A 24 9.189 4.526 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 24 8.903 6.823 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.146 5.510 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.585 4.757 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.092 4.092 -2.855 1.00 0.00 H new ATOM 414 N TYR A 32 14.769 0.042 5.384 1.00 0.00 N ATOM 415 CA TYR A 32 13.519 0.652 4.962 1.00 0.00 C ATOM 416 C TYR A 32 12.625 -0.362 4.251 1.00 0.00 C ATOM 417 O TYR A 32 13.068 -1.451 3.889 1.00 0.00 O ATOM 418 CB TYR A 32 13.841 1.854 4.061 1.00 0.00 C ATOM 419 CG TYR A 32 12.955 2.018 2.841 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.047 1.139 1.768 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.043 3.062 2.757 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.254 1.296 0.648 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.245 3.223 1.641 1.00 0.00 C ATOM 424 CZ TYR A 32 11.355 2.339 0.589 1.00 0.00 C ATOM 425 OH TYR A 32 10.566 2.500 -0.525 1.00 0.00 O ATOM 0 HA TYR A 32 12.964 0.997 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.774 2.762 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 32 14.875 1.768 3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.750 0.320 1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.956 3.759 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.338 0.605 -0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.538 4.038 1.593 1.00 0.00 H new ATOM 0 HH TYR A 32 11.026 3.076 -1.171 1.00 0.00 H new ATOM 435 N ASP A 33 11.362 0.007 4.064 1.00 0.00 N ATOM 436 CA ASP A 33 10.392 -0.863 3.404 1.00 0.00 C ATOM 437 C ASP A 33 9.294 -0.037 2.745 1.00 0.00 C ATOM 438 O ASP A 33 9.295 1.191 2.837 1.00 0.00 O ATOM 439 CB ASP A 33 9.775 -1.841 4.410 1.00 0.00 C ATOM 440 CG ASP A 33 9.745 -1.290 5.824 1.00 0.00 C ATOM 441 OD1 ASP A 33 9.618 -0.057 5.977 1.00 0.00 O ATOM 442 OD2 ASP A 33 9.848 -2.092 6.776 1.00 0.00 O ATOM 0 H ASP A 33 10.984 0.907 4.361 1.00 0.00 H new ATOM 0 HA ASP A 33 10.914 -1.432 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.759 -2.083 4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.342 -2.772 4.400 1.00 0.00 H new ATOM 447 N MET A 34 8.356 -0.706 2.078 1.00 0.00 N ATOM 448 CA MET A 34 7.265 -0.003 1.413 1.00 0.00 C ATOM 449 C MET A 34 5.949 -0.756 1.563 1.00 0.00 C ATOM 450 O MET A 34 5.843 -1.919 1.180 1.00 0.00 O ATOM 451 CB MET A 34 7.589 0.200 -0.069 1.00 0.00 C ATOM 452 CG MET A 34 7.752 1.659 -0.460 1.00 0.00 C ATOM 453 SD MET A 34 8.243 1.868 -2.183 1.00 0.00 S ATOM 454 CE MET A 34 9.576 0.678 -2.307 1.00 0.00 C ATOM 0 H MET A 34 8.330 -1.721 1.985 1.00 0.00 H new ATOM 0 HA MET A 34 7.154 0.971 1.891 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.507 -0.337 -0.309 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.795 -0.242 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.812 2.184 -0.288 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.499 2.122 0.185 1.00 0.00 H new ATOM 0 HE1 MET A 34 10.376 1.090 -2.923 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.961 0.458 -1.311 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.204 -0.239 -2.763 1.00 0.00 H new ATOM 464 N GLY A 35 4.946 -0.087 2.120 1.00 0.00 N ATOM 465 CA GLY A 35 3.657 -0.725 2.303 1.00 0.00 C ATOM 466 C GLY A 35 2.498 0.247 2.260 1.00 0.00 C ATOM 467 O GLY A 35 2.640 1.415 2.623 1.00 0.00 O ATOM 0 H GLY A 35 5.001 0.878 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.519 -1.479 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.650 -1.247 3.260 1.00 0.00 H new ATOM 471 N TRP A 36 1.343 -0.241 1.818 1.00 0.00 N ATOM 472 CA TRP A 36 0.149 0.577 1.731 1.00 0.00 C ATOM 473 C TRP A 36 -0.577 0.621 3.064 1.00 0.00 C ATOM 474 O TRP A 36 -0.482 -0.304 3.872 1.00 0.00 O ATOM 475 CB TRP A 36 -0.784 0.032 0.661 1.00 0.00 C ATOM 476 CG TRP A 36 -0.225 0.103 -0.727 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.641 -0.777 -1.309 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.500 1.107 -1.711 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.921 -0.383 -2.595 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.234 0.771 -2.865 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.295 2.258 -1.729 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.195 1.543 -4.024 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.332 3.023 -2.880 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.592 2.662 -4.014 1.00 0.00 C ATOM 0 H TRP A 36 1.214 -1.206 1.514 1.00 0.00 H new ATOM 0 HA TRP A 36 0.453 1.590 1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.021 -1.006 0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.721 0.587 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.047 -1.655 -0.829 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.540 -0.870 -3.243 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.869 2.544 -0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.765 1.268 -4.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.942 3.914 -2.906 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.644 3.280 -4.898 1.00 0.00 H new ATOM 495 N PHE A 37 -1.301 1.705 3.285 1.00 0.00 N ATOM 496 CA PHE A 37 -2.045 1.888 4.511 1.00 0.00 C ATOM 497 C PHE A 37 -3.470 2.333 4.206 1.00 0.00 C ATOM 498 O PHE A 37 -3.850 2.466 3.043 1.00 0.00 O ATOM 499 CB PHE A 37 -1.347 2.932 5.374 1.00 0.00 C ATOM 500 CG PHE A 37 -0.314 2.356 6.297 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.811 1.725 5.793 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.469 2.446 7.671 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.762 1.192 6.641 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.478 1.915 8.525 1.00 0.00 C ATOM 505 CZ PHE A 37 1.595 1.286 8.009 1.00 0.00 C ATOM 0 H PHE A 37 -1.387 2.476 2.622 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.087 0.940 5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.872 3.669 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.095 3.462 5.964 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.946 1.649 4.724 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.340 2.937 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.635 0.702 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.346 1.991 9.594 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.336 0.869 8.674 1.00 0.00 H new ATOM 515 N ARG A 38 -4.256 2.562 5.251 1.00 0.00 N ATOM 516 CA ARG A 38 -5.635 2.994 5.080 1.00 0.00 C ATOM 517 C ARG A 38 -6.123 3.760 6.305 1.00 0.00 C ATOM 518 O ARG A 38 -5.539 3.656 7.384 1.00 0.00 O ATOM 519 CB ARG A 38 -6.533 1.787 4.825 1.00 0.00 C ATOM 520 CG ARG A 38 -6.465 0.736 5.920 1.00 0.00 C ATOM 521 CD ARG A 38 -6.596 -0.670 5.354 1.00 0.00 C ATOM 522 NE ARG A 38 -7.886 -1.272 5.682 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.014 -1.016 5.021 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.013 -0.178 3.992 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.145 -1.603 5.389 1.00 0.00 N ATOM 0 H ARG A 38 -3.962 2.456 6.222 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.680 3.662 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.564 2.127 4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.252 1.330 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.520 0.827 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.260 0.913 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.475 -0.638 4.271 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.794 -1.295 5.746 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.925 -1.927 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.145 0.274 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.880 0.014 3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.151 -2.250 6.178 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.009 -1.407 4.883 1.00 0.00 H new ATOM 539 N GLN A 39 -7.196 4.531 6.137 1.00 0.00 N ATOM 540 CA GLN A 39 -7.748 5.309 7.240 1.00 0.00 C ATOM 541 C GLN A 39 -9.184 5.737 6.953 1.00 0.00 C ATOM 542 O GLN A 39 -9.553 5.986 5.805 1.00 0.00 O ATOM 543 CB GLN A 39 -6.882 6.541 7.505 1.00 0.00 C ATOM 544 CG GLN A 39 -7.145 7.192 8.853 1.00 0.00 C ATOM 545 CD GLN A 39 -5.881 7.719 9.501 1.00 0.00 C ATOM 546 OE1 GLN A 39 -4.868 7.928 8.835 1.00 0.00 O ATOM 547 NE2 GLN A 39 -5.935 7.936 10.810 1.00 0.00 N ATOM 0 H GLN A 39 -7.696 4.632 5.254 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.752 4.674 8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.832 6.255 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.057 7.274 6.717 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.852 8.011 8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.614 6.467 9.517 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.797 7.749 11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.115 8.290 11.303 1.00 0.00 H new ATOM 556 N ALA A 40 -9.986 5.827 8.009 1.00 0.00 N ATOM 557 CA ALA A 40 -11.380 6.232 7.885 1.00 0.00 C ATOM 558 C ALA A 40 -11.694 7.381 8.840 1.00 0.00 C ATOM 559 O ALA A 40 -10.937 7.642 9.776 1.00 0.00 O ATOM 560 CB ALA A 40 -12.300 5.051 8.154 1.00 0.00 C ATOM 0 H ALA A 40 -9.692 5.624 8.964 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.548 6.579 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.338 5.369 8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.095 4.259 7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.127 4.678 9.163 1.00 0.00 H new ATOM 566 N PRO A 41 -12.814 8.090 8.619 1.00 0.00 N ATOM 567 CA PRO A 41 -13.208 9.216 9.470 1.00 0.00 C ATOM 568 C PRO A 41 -13.651 8.769 10.851 1.00 0.00 C ATOM 569 O PRO A 41 -14.343 7.763 11.002 1.00 0.00 O ATOM 570 CB PRO A 41 -14.367 9.856 8.705 1.00 0.00 C ATOM 571 CG PRO A 41 -14.935 8.749 7.884 1.00 0.00 C ATOM 572 CD PRO A 41 -13.776 7.857 7.526 1.00 0.00 C ATOM 0 HA PRO A 41 -12.379 9.900 9.652 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.112 10.267 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.022 10.678 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.692 8.199 8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.419 9.137 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.076 6.811 7.472 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.353 8.118 6.556 1.00 0.00 H new ATOM 580 N GLY A 42 -13.221 9.516 11.862 1.00 0.00 N ATOM 581 CA GLY A 42 -13.555 9.173 13.227 1.00 0.00 C ATOM 582 C GLY A 42 -12.793 7.950 13.702 1.00 0.00 C ATOM 583 O GLY A 42 -12.949 7.517 14.843 1.00 0.00 O ATOM 0 H GLY A 42 -12.647 10.353 11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.331 10.017 13.879 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.626 8.986 13.303 1.00 0.00 H new ATOM 587 N LYS A 43 -11.970 7.385 12.816 1.00 0.00 N ATOM 588 CA LYS A 43 -11.192 6.205 13.138 1.00 0.00 C ATOM 589 C LYS A 43 -9.698 6.515 13.126 1.00 0.00 C ATOM 590 O LYS A 43 -9.292 7.656 12.906 1.00 0.00 O ATOM 591 CB LYS A 43 -11.505 5.115 12.122 1.00 0.00 C ATOM 592 CG LYS A 43 -11.402 3.703 12.679 1.00 0.00 C ATOM 593 CD LYS A 43 -12.742 2.984 12.642 1.00 0.00 C ATOM 594 CE LYS A 43 -12.769 1.909 11.566 1.00 0.00 C ATOM 595 NZ LYS A 43 -14.090 1.840 10.882 1.00 0.00 N ATOM 0 H LYS A 43 -11.831 7.734 11.868 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.457 5.868 14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.513 5.270 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.822 5.212 11.278 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.670 3.137 12.103 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.039 3.743 13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.941 2.532 13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.538 3.705 12.457 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.990 2.112 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.541 0.942 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.067 1.095 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.831 1.621 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.296 2.755 10.433 1.00 0.00 H new ATOM 609 N GLU A 44 -8.885 5.490 13.357 1.00 0.00 N ATOM 610 CA GLU A 44 -7.437 5.647 13.366 1.00 0.00 C ATOM 611 C GLU A 44 -6.838 5.181 12.043 1.00 0.00 C ATOM 612 O GLU A 44 -7.565 4.881 11.095 1.00 0.00 O ATOM 613 CB GLU A 44 -6.823 4.857 14.524 1.00 0.00 C ATOM 614 CG GLU A 44 -7.526 5.081 15.853 1.00 0.00 C ATOM 615 CD GLU A 44 -6.721 4.572 17.032 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.125 3.480 16.917 1.00 0.00 O ATOM 617 OE2 GLU A 44 -6.686 5.264 18.071 1.00 0.00 O ATOM 0 H GLU A 44 -9.206 4.540 13.541 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.209 6.705 13.499 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.850 3.794 14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.774 5.134 14.626 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.719 6.146 15.983 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.494 4.581 15.836 1.00 0.00 H new ATOM 624 N ARG A 45 -5.512 5.121 11.982 1.00 0.00 N ATOM 625 CA ARG A 45 -4.826 4.690 10.770 1.00 0.00 C ATOM 626 C ARG A 45 -4.329 3.253 10.903 1.00 0.00 C ATOM 627 O ARG A 45 -3.772 2.870 11.932 1.00 0.00 O ATOM 628 CB ARG A 45 -3.657 5.632 10.454 1.00 0.00 C ATOM 629 CG ARG A 45 -2.396 5.344 11.255 1.00 0.00 C ATOM 630 CD ARG A 45 -1.264 6.282 10.867 1.00 0.00 C ATOM 631 NE ARG A 45 -0.322 6.487 11.965 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.533 7.328 12.976 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.650 8.043 13.031 1.00 0.00 N ATOM 634 NH2 ARG A 45 0.375 7.452 13.934 1.00 0.00 N ATOM 0 H ARG A 45 -4.893 5.365 12.755 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.539 4.727 9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.424 5.562 9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.969 6.659 10.644 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.608 5.448 12.319 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.087 4.312 11.091 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.734 5.874 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.678 7.243 10.561 1.00 0.00 H new ATOM 0 HE ARG A 45 0.548 5.955 11.957 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.352 7.950 12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.806 8.686 13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.234 6.904 13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.214 8.096 14.709 1.00 0.00 H new ATOM 648 N GLU A 46 -4.530 2.465 9.853 1.00 0.00 N ATOM 649 CA GLU A 46 -4.100 1.074 9.844 1.00 0.00 C ATOM 650 C GLU A 46 -3.342 0.763 8.561 1.00 0.00 C ATOM 651 O GLU A 46 -3.415 1.516 7.593 1.00 0.00 O ATOM 652 CB GLU A 46 -5.307 0.146 9.983 1.00 0.00 C ATOM 653 CG GLU A 46 -6.323 0.296 8.862 1.00 0.00 C ATOM 654 CD GLU A 46 -7.753 0.306 9.368 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.193 1.357 9.879 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.431 -0.736 9.252 1.00 0.00 O ATOM 0 H GLU A 46 -4.990 2.768 8.995 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.434 0.910 10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.959 -0.887 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.798 0.343 10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.127 1.221 8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.198 -0.522 8.152 1.00 0.00 H new ATOM 663 N SER A 47 -2.612 -0.344 8.557 1.00 0.00 N ATOM 664 CA SER A 47 -1.844 -0.736 7.389 1.00 0.00 C ATOM 665 C SER A 47 -2.520 -1.876 6.648 1.00 0.00 C ATOM 666 O SER A 47 -3.491 -2.463 7.127 1.00 0.00 O ATOM 667 CB SER A 47 -0.428 -1.145 7.791 1.00 0.00 C ATOM 668 OG SER A 47 0.423 -1.243 6.661 1.00 0.00 O ATOM 0 H SER A 47 -2.537 -0.983 9.348 1.00 0.00 H new ATOM 0 HA SER A 47 -1.790 0.125 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.022 -0.415 8.492 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.458 -2.103 8.310 1.00 0.00 H new ATOM 0 HG SER A 47 0.515 -0.361 6.243 1.00 0.00 H new ATOM 674 N VAL A 48 -1.994 -2.178 5.474 1.00 0.00 N ATOM 675 CA VAL A 48 -2.532 -3.248 4.642 1.00 0.00 C ATOM 676 C VAL A 48 -1.447 -4.240 4.237 1.00 0.00 C ATOM 677 O VAL A 48 -1.466 -5.398 4.655 1.00 0.00 O ATOM 678 CB VAL A 48 -3.199 -2.695 3.372 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.043 -3.768 2.700 1.00 0.00 C ATOM 680 CG2 VAL A 48 -4.037 -1.465 3.691 1.00 0.00 C ATOM 0 H VAL A 48 -1.190 -1.696 5.071 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.281 -3.761 5.246 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.414 -2.395 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.507 -3.357 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.409 -4.612 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.819 -4.105 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.499 -1.092 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.814 -1.730 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.399 -0.691 4.117 1.00 0.00 H new ATOM 690 N ALA A 49 -0.506 -3.783 3.418 1.00 0.00 N ATOM 691 CA ALA A 49 0.580 -4.640 2.956 1.00 0.00 C ATOM 692 C ALA A 49 1.881 -3.859 2.816 1.00 0.00 C ATOM 693 O ALA A 49 1.890 -2.741 2.305 1.00 0.00 O ATOM 694 CB ALA A 49 0.207 -5.295 1.634 1.00 0.00 C ATOM 0 H ALA A 49 -0.473 -2.828 3.061 1.00 0.00 H new ATOM 0 HA ALA A 49 0.738 -5.417 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.026 -5.932 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.691 -5.898 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.019 -4.524 0.887 1.00 0.00 H new ATOM 700 N ALA A 50 2.978 -4.459 3.272 1.00 0.00 N ATOM 701 CA ALA A 50 4.288 -3.821 3.198 1.00 0.00 C ATOM 702 C ALA A 50 5.377 -4.836 2.866 1.00 0.00 C ATOM 703 O ALA A 50 5.302 -5.992 3.270 1.00 0.00 O ATOM 704 CB ALA A 50 4.604 -3.116 4.506 1.00 0.00 C ATOM 0 H ALA A 50 2.985 -5.386 3.697 1.00 0.00 H new ATOM 0 HA ALA A 50 4.260 -3.083 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.584 -2.644 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.848 -2.355 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.607 -3.842 5.319 1.00 0.00 H new ATOM 710 N ILE A 51 6.387 -4.398 2.124 1.00 0.00 N ATOM 711 CA ILE A 51 7.479 -5.264 1.734 1.00 0.00 C ATOM 712 C ILE A 51 8.788 -4.804 2.365 1.00 0.00 C ATOM 713 O ILE A 51 9.038 -3.601 2.486 1.00 0.00 O ATOM 714 CB ILE A 51 7.656 -5.277 0.205 1.00 0.00 C ATOM 715 CG1 ILE A 51 6.735 -4.254 -0.466 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.414 -6.671 -0.356 1.00 0.00 C ATOM 717 CD1 ILE A 51 6.875 -4.208 -1.972 1.00 0.00 C ATOM 0 H ILE A 51 6.467 -3.441 1.781 1.00 0.00 H new ATOM 0 HA ILE A 51 7.232 -6.267 2.083 1.00 0.00 H new ATOM 0 HB ILE A 51 8.686 -4.995 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.701 -4.488 -0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.947 -3.265 -0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.545 -6.655 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.125 -7.369 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.399 -6.988 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.193 -3.461 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.900 -3.944 -2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.634 -5.185 -2.390 1.00 0.00 H new ATOM 729 N ASN A 52 9.626 -5.764 2.748 1.00 0.00 N ATOM 730 CA ASN A 52 10.917 -5.453 3.349 1.00 0.00 C ATOM 731 C ASN A 52 11.971 -5.256 2.271 1.00 0.00 C ATOM 732 O ASN A 52 11.752 -5.569 1.101 1.00 0.00 O ATOM 733 CB ASN A 52 11.345 -6.563 4.312 1.00 0.00 C ATOM 734 CG ASN A 52 12.740 -6.371 4.876 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.692 -7.024 4.448 1.00 0.00 O ATOM 736 ND2 ASN A 52 12.869 -5.471 5.844 1.00 0.00 N ATOM 0 H ASN A 52 9.433 -6.761 2.653 1.00 0.00 H new ATOM 0 HA ASN A 52 10.817 -4.526 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.633 -6.613 5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.300 -7.520 3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.783 -5.299 6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.054 -4.951 6.169 1.00 0.00 H new ATOM 800 N ARG A 57 10.231 -11.373 2.861 1.00 0.00 N ATOM 801 CA ARG A 57 8.881 -11.481 2.320 1.00 0.00 C ATOM 802 C ARG A 57 8.106 -10.177 2.503 1.00 0.00 C ATOM 803 O ARG A 57 8.689 -9.127 2.781 1.00 0.00 O ATOM 804 CB ARG A 57 8.136 -12.628 3.006 1.00 0.00 C ATOM 805 CG ARG A 57 7.414 -13.551 2.038 1.00 0.00 C ATOM 806 CD ARG A 57 8.219 -14.812 1.764 1.00 0.00 C ATOM 807 NE ARG A 57 8.847 -14.785 0.445 1.00 0.00 N ATOM 808 CZ ARG A 57 9.865 -15.566 0.092 1.00 0.00 C ATOM 809 NH1 ARG A 57 10.374 -16.434 0.958 1.00 0.00 N ATOM 810 NH2 ARG A 57 10.376 -15.478 -1.129 1.00 0.00 N ATOM 0 HA ARG A 57 8.959 -11.683 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.846 -13.213 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.412 -12.212 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.441 -13.821 2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.230 -13.025 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.987 -14.925 2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.566 -15.682 1.837 1.00 0.00 H new ATOM 0 HE ARG A 57 8.484 -14.129 -0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.985 -16.504 1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.154 -17.031 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.989 -14.812 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.156 -16.077 -1.400 1.00 0.00 H new ATOM 824 N THR A 58 6.787 -10.257 2.350 1.00 0.00 N ATOM 825 CA THR A 58 5.922 -9.095 2.502 1.00 0.00 C ATOM 826 C THR A 58 5.289 -9.078 3.892 1.00 0.00 C ATOM 827 O THR A 58 5.575 -9.937 4.726 1.00 0.00 O ATOM 828 CB THR A 58 4.831 -9.097 1.426 1.00 0.00 C ATOM 829 OG1 THR A 58 5.081 -10.099 0.455 1.00 0.00 O ATOM 830 CG2 THR A 58 4.707 -7.777 0.697 1.00 0.00 C ATOM 0 H THR A 58 6.294 -11.120 2.120 1.00 0.00 H new ATOM 0 HA THR A 58 6.529 -8.197 2.384 1.00 0.00 H new ATOM 0 HB THR A 58 3.901 -9.289 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.372 -10.084 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.917 -7.847 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.463 -6.989 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.651 -7.542 0.206 1.00 0.00 H new ATOM 838 N TYR A 59 4.436 -8.092 4.132 1.00 0.00 N ATOM 839 CA TYR A 59 3.766 -7.948 5.416 1.00 0.00 C ATOM 840 C TYR A 59 2.304 -7.558 5.223 1.00 0.00 C ATOM 841 O TYR A 59 1.978 -6.376 5.127 1.00 0.00 O ATOM 842 CB TYR A 59 4.482 -6.890 6.257 1.00 0.00 C ATOM 843 CG TYR A 59 3.729 -6.483 7.505 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.152 -7.436 8.335 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.590 -5.144 7.849 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.459 -7.066 9.472 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.899 -4.766 8.984 1.00 0.00 C ATOM 848 CZ TYR A 59 2.335 -5.730 9.792 1.00 0.00 C ATOM 849 OH TYR A 59 1.645 -5.358 10.922 1.00 0.00 O ATOM 0 H TYR A 59 4.191 -7.375 3.449 1.00 0.00 H new ATOM 0 HA TYR A 59 3.800 -8.906 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.462 -7.271 6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.651 -6.006 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.247 -8.483 8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.030 -4.386 7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.017 -7.819 10.107 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.801 -3.721 9.237 1.00 0.00 H new ATOM 0 HH TYR A 59 1.652 -4.381 11.003 1.00 0.00 H new ATOM 859 N TYR A 60 1.429 -8.556 5.167 1.00 0.00 N ATOM 860 CA TYR A 60 0.003 -8.311 4.985 1.00 0.00 C ATOM 861 C TYR A 60 -0.716 -8.237 6.327 1.00 0.00 C ATOM 862 O TYR A 60 -0.173 -8.629 7.360 1.00 0.00 O ATOM 863 CB TYR A 60 -0.621 -9.416 4.132 1.00 0.00 C ATOM 864 CG TYR A 60 -0.575 -9.141 2.647 1.00 0.00 C ATOM 865 CD1 TYR A 60 -1.495 -8.288 2.050 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.384 -9.739 1.840 1.00 0.00 C ATOM 867 CE1 TYR A 60 -1.460 -8.039 0.692 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.427 -9.494 0.481 1.00 0.00 C ATOM 869 CZ TYR A 60 -0.497 -8.643 -0.087 1.00 0.00 C ATOM 870 OH TYR A 60 -0.459 -8.399 -1.439 1.00 0.00 O ATOM 0 H TYR A 60 1.682 -9.541 5.245 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.108 -7.353 4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.104 -10.354 4.334 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.659 -9.553 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.250 -7.812 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.108 -10.407 2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.183 -7.375 0.243 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.180 -9.966 -0.133 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.009 -7.614 -1.645 1.00 0.00 H new ATOM 880 N ALA A 61 -1.948 -7.742 6.298 1.00 0.00 N ATOM 881 CA ALA A 61 -2.758 -7.626 7.504 1.00 0.00 C ATOM 882 C ALA A 61 -3.953 -8.569 7.433 1.00 0.00 C ATOM 883 O ALA A 61 -4.345 -9.003 6.349 1.00 0.00 O ATOM 884 CB ALA A 61 -3.223 -6.190 7.694 1.00 0.00 C ATOM 0 H ALA A 61 -2.409 -7.414 5.449 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.147 -7.907 8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.827 -6.120 8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.356 -5.536 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.820 -5.884 6.835 1.00 0.00 H new ATOM 890 N SER A 62 -4.532 -8.890 8.585 1.00 0.00 N ATOM 891 CA SER A 62 -5.677 -9.789 8.632 1.00 0.00 C ATOM 892 C SER A 62 -6.975 -9.075 8.264 1.00 0.00 C ATOM 893 O SER A 62 -8.034 -9.362 8.823 1.00 0.00 O ATOM 894 CB SER A 62 -5.802 -10.422 10.019 1.00 0.00 C ATOM 895 OG SER A 62 -4.573 -10.357 10.722 1.00 0.00 O ATOM 0 H SER A 62 -4.228 -8.542 9.494 1.00 0.00 H new ATOM 0 HA SER A 62 -5.507 -10.572 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.577 -9.909 10.588 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.114 -11.462 9.921 1.00 0.00 H new ATOM 0 HG SER A 62 -4.680 -10.767 11.606 1.00 0.00 H new ATOM 901 N SER A 63 -6.888 -8.162 7.307 1.00 0.00 N ATOM 902 CA SER A 63 -8.051 -7.421 6.839 1.00 0.00 C ATOM 903 C SER A 63 -8.321 -7.747 5.374 1.00 0.00 C ATOM 904 O SER A 63 -9.450 -7.629 4.896 1.00 0.00 O ATOM 905 CB SER A 63 -7.832 -5.916 7.009 1.00 0.00 C ATOM 906 OG SER A 63 -8.926 -5.180 6.490 1.00 0.00 O ATOM 0 H SER A 63 -6.017 -7.915 6.836 1.00 0.00 H new ATOM 0 HA SER A 63 -8.914 -7.716 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.700 -5.681 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.915 -5.619 6.500 1.00 0.00 H new ATOM 0 HG SER A 63 -8.763 -4.221 6.612 1.00 0.00 H new ATOM 912 N VAL A 64 -7.271 -8.161 4.667 1.00 0.00 N ATOM 913 CA VAL A 64 -7.380 -8.509 3.259 1.00 0.00 C ATOM 914 C VAL A 64 -6.256 -9.457 2.839 1.00 0.00 C ATOM 915 O VAL A 64 -5.922 -9.552 1.658 1.00 0.00 O ATOM 916 CB VAL A 64 -7.322 -7.252 2.374 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.512 -6.348 2.654 1.00 0.00 C ATOM 918 CG2 VAL A 64 -6.011 -6.512 2.596 1.00 0.00 C ATOM 0 H VAL A 64 -6.332 -8.263 5.052 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.342 -9.004 3.125 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.370 -7.557 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.455 -5.464 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.436 -6.887 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.500 -6.044 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.983 -5.625 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.933 -6.215 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.177 -7.166 2.341 1.00 0.00 H new ATOM 928 N ARG A 65 -5.669 -10.150 3.813 1.00 0.00 N ATOM 929 CA ARG A 65 -4.589 -11.071 3.556 1.00 0.00 C ATOM 930 C ARG A 65 -5.113 -12.351 2.933 1.00 0.00 C ATOM 931 O ARG A 65 -5.403 -13.334 3.614 1.00 0.00 O ATOM 932 CB ARG A 65 -3.836 -11.358 4.853 1.00 0.00 C ATOM 933 CG ARG A 65 -2.887 -12.533 4.765 1.00 0.00 C ATOM 934 CD ARG A 65 -2.275 -12.861 6.117 1.00 0.00 C ATOM 935 NE ARG A 65 -3.056 -13.864 6.838 1.00 0.00 N ATOM 936 CZ ARG A 65 -3.239 -15.110 6.408 1.00 0.00 C ATOM 937 NH1 ARG A 65 -2.676 -15.518 5.277 1.00 0.00 N ATOM 938 NH2 ARG A 65 -3.981 -15.953 7.113 1.00 0.00 N ATOM 0 H ARG A 65 -5.935 -10.082 4.795 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.897 -10.618 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.273 -10.470 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.559 -11.546 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.420 -13.405 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.094 -12.309 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.257 -13.225 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.209 -11.953 6.716 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.486 -13.593 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.100 -14.875 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.819 -16.474 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.412 -15.647 7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.121 -16.908 6.783 1.00 0.00 H new ATOM 952 N GLY A 66 -5.228 -12.307 1.625 1.00 0.00 N ATOM 953 CA GLY A 66 -5.711 -13.440 0.868 1.00 0.00 C ATOM 954 C GLY A 66 -6.396 -13.023 -0.418 1.00 0.00 C ATOM 955 O GLY A 66 -6.581 -13.836 -1.323 1.00 0.00 O ATOM 0 H GLY A 66 -4.992 -11.492 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.876 -14.101 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.409 -14.012 1.480 1.00 0.00 H new ATOM 959 N ARG A 67 -6.783 -11.754 -0.492 1.00 0.00 N ATOM 960 CA ARG A 67 -7.465 -11.227 -1.669 1.00 0.00 C ATOM 961 C ARG A 67 -6.621 -10.164 -2.370 1.00 0.00 C ATOM 962 O ARG A 67 -6.672 -10.028 -3.592 1.00 0.00 O ATOM 963 CB ARG A 67 -8.827 -10.634 -1.277 1.00 0.00 C ATOM 964 CG ARG A 67 -9.194 -10.827 0.191 1.00 0.00 C ATOM 965 CD ARG A 67 -9.592 -9.515 0.847 1.00 0.00 C ATOM 966 NE ARG A 67 -10.554 -9.703 1.932 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.338 -10.457 3.010 1.00 0.00 C ATOM 968 NH1 ARG A 67 -9.176 -11.074 3.185 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.287 -10.579 3.928 1.00 0.00 N ATOM 0 H ARG A 67 -6.636 -11.070 0.250 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.618 -12.055 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.825 -9.567 -1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.600 -11.089 -1.896 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.016 -11.538 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.347 -11.259 0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.701 -9.022 1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.021 -8.852 0.096 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.452 -9.224 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.436 -10.974 2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.023 -11.648 4.014 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.178 -10.097 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.126 -11.155 4.754 1.00 0.00 H new ATOM 983 N PHE A 68 -5.856 -9.407 -1.590 1.00 0.00 N ATOM 984 CA PHE A 68 -5.013 -8.349 -2.138 1.00 0.00 C ATOM 985 C PHE A 68 -3.634 -8.885 -2.518 1.00 0.00 C ATOM 986 O PHE A 68 -3.032 -9.659 -1.774 1.00 0.00 O ATOM 987 CB PHE A 68 -4.871 -7.210 -1.123 1.00 0.00 C ATOM 988 CG PHE A 68 -6.095 -6.340 -1.007 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.368 -6.889 -1.063 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.970 -4.970 -0.840 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.490 -6.088 -0.956 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.089 -4.165 -0.732 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.350 -4.725 -0.791 1.00 0.00 C ATOM 0 H PHE A 68 -5.802 -9.506 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.491 -7.969 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.645 -7.634 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.021 -6.589 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.484 -7.955 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.987 -4.526 -0.794 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.475 -6.529 -1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.977 -3.099 -0.602 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.225 -4.097 -0.708 1.00 0.00 H new ATOM 1003 N THR A 69 -3.140 -8.464 -3.680 1.00 0.00 N ATOM 1004 CA THR A 69 -1.830 -8.898 -4.163 1.00 0.00 C ATOM 1005 C THR A 69 -0.812 -7.774 -4.050 1.00 0.00 C ATOM 1006 O THR A 69 -1.165 -6.595 -4.058 1.00 0.00 O ATOM 1007 CB THR A 69 -1.927 -9.376 -5.612 1.00 0.00 C ATOM 1008 OG1 THR A 69 -3.031 -10.247 -5.781 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.689 -10.107 -6.086 1.00 0.00 C ATOM 0 H THR A 69 -3.627 -7.822 -4.306 1.00 0.00 H new ATOM 0 HA THR A 69 -1.497 -9.728 -3.540 1.00 0.00 H new ATOM 0 HB THR A 69 -2.044 -8.470 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.076 -10.540 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.825 -10.419 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.174 -9.444 -6.016 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.523 -10.985 -5.462 1.00 0.00 H new ATOM 1017 N ILE A 70 0.453 -8.156 -3.927 1.00 0.00 N ATOM 1018 CA ILE A 70 1.541 -7.200 -3.786 1.00 0.00 C ATOM 1019 C ILE A 70 2.772 -7.656 -4.564 1.00 0.00 C ATOM 1020 O ILE A 70 3.149 -8.827 -4.524 1.00 0.00 O ATOM 1021 CB ILE A 70 1.883 -7.018 -2.297 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.915 -5.905 -2.089 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.354 -8.335 -1.701 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.285 -6.227 -2.631 1.00 0.00 C ATOM 0 H ILE A 70 0.751 -9.131 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 70 1.220 -6.244 -4.198 1.00 0.00 H new ATOM 0 HB ILE A 70 0.978 -6.711 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.552 -4.994 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.998 -5.696 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.593 -8.193 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.565 -9.081 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.243 -8.677 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.956 -5.389 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.671 -7.119 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.219 -6.406 -3.704 1.00 0.00 H new ATOM 1036 N SER A 71 3.392 -6.717 -5.270 1.00 0.00 N ATOM 1037 CA SER A 71 4.583 -7.006 -6.063 1.00 0.00 C ATOM 1038 C SER A 71 5.453 -5.759 -6.203 1.00 0.00 C ATOM 1039 O SER A 71 5.106 -4.689 -5.704 1.00 0.00 O ATOM 1040 CB SER A 71 4.187 -7.528 -7.446 1.00 0.00 C ATOM 1041 OG SER A 71 4.515 -8.899 -7.587 1.00 0.00 O ATOM 0 H SER A 71 3.088 -5.744 -5.310 1.00 0.00 H new ATOM 0 HA SER A 71 5.159 -7.774 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.116 -7.390 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.696 -6.948 -8.216 1.00 0.00 H new ATOM 0 HG SER A 71 4.250 -9.209 -8.478 1.00 0.00 H new ATOM 1047 N ARG A 72 6.586 -5.903 -6.886 1.00 0.00 N ATOM 1048 CA ARG A 72 7.504 -4.785 -7.090 1.00 0.00 C ATOM 1049 C ARG A 72 7.903 -4.665 -8.559 1.00 0.00 C ATOM 1050 O ARG A 72 7.655 -5.570 -9.355 1.00 0.00 O ATOM 1051 CB ARG A 72 8.757 -4.957 -6.228 1.00 0.00 C ATOM 1052 CG ARG A 72 8.466 -5.408 -4.805 1.00 0.00 C ATOM 1053 CD ARG A 72 9.231 -6.674 -4.451 1.00 0.00 C ATOM 1054 NE ARG A 72 9.129 -7.686 -5.501 1.00 0.00 N ATOM 1055 CZ ARG A 72 9.916 -8.757 -5.577 1.00 0.00 C ATOM 1056 NH1 ARG A 72 10.858 -8.963 -4.665 1.00 0.00 N ATOM 1057 NH2 ARG A 72 9.759 -9.626 -6.568 1.00 0.00 N ATOM 0 H ARG A 72 6.890 -6.781 -7.307 1.00 0.00 H new ATOM 0 HA ARG A 72 6.988 -3.872 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.416 -5.684 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.297 -4.011 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.735 -4.613 -4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.397 -5.584 -4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.280 -6.429 -4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.846 -7.081 -3.516 1.00 0.00 H new ATOM 0 HE ARG A 72 8.413 -7.564 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.982 -8.299 -3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.458 -9.785 -4.728 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.036 -9.473 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.362 -10.447 -6.627 1.00 0.00 H new ATOM 1071 N ASP A 73 8.525 -3.542 -8.909 1.00 0.00 N ATOM 1072 CA ASP A 73 8.963 -3.305 -10.281 1.00 0.00 C ATOM 1073 C ASP A 73 10.267 -4.045 -10.569 1.00 0.00 C ATOM 1074 O ASP A 73 10.473 -4.554 -11.671 1.00 0.00 O ATOM 1075 CB ASP A 73 9.144 -1.804 -10.531 1.00 0.00 C ATOM 1076 CG ASP A 73 9.734 -1.503 -11.896 1.00 0.00 C ATOM 1077 OD1 ASP A 73 9.493 -2.291 -12.834 1.00 0.00 O ATOM 1078 OD2 ASP A 73 10.435 -0.477 -12.027 1.00 0.00 O ATOM 0 H ASP A 73 8.737 -2.783 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 73 8.194 -3.685 -10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.179 -1.306 -10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.792 -1.387 -9.760 1.00 0.00 H new ATOM 1083 N ASN A 74 11.145 -4.097 -9.572 1.00 0.00 N ATOM 1084 CA ASN A 74 12.430 -4.772 -9.719 1.00 0.00 C ATOM 1085 C ASN A 74 13.280 -4.093 -10.789 1.00 0.00 C ATOM 1086 O ASN A 74 14.019 -4.751 -11.522 1.00 0.00 O ATOM 1087 CB ASN A 74 12.218 -6.246 -10.073 1.00 0.00 C ATOM 1088 CG ASN A 74 12.352 -7.155 -8.866 1.00 0.00 C ATOM 1089 OD1 ASN A 74 11.517 -7.133 -7.962 1.00 0.00 O ATOM 1090 ND2 ASN A 74 13.408 -7.960 -8.846 1.00 0.00 N ATOM 0 H ASN A 74 10.990 -3.680 -8.654 1.00 0.00 H new ATOM 0 HA ASN A 74 12.959 -4.709 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.228 -6.373 -10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.943 -6.543 -10.831 1.00 0.00 H new ATOM 0 HD21 ASN A 74 13.552 -8.593 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.075 -7.945 -9.617 1.00 0.00 H new ATOM 1097 N ALA A 75 13.171 -2.771 -10.873 1.00 0.00 N ATOM 1098 CA ALA A 75 13.928 -2.003 -11.851 1.00 0.00 C ATOM 1099 C ALA A 75 14.556 -0.768 -11.215 1.00 0.00 C ATOM 1100 O ALA A 75 15.742 -0.496 -11.404 1.00 0.00 O ATOM 1101 CB ALA A 75 13.033 -1.602 -13.015 1.00 0.00 C ATOM 0 H ALA A 75 12.565 -2.210 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 75 14.733 -2.635 -12.226 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.612 -1.028 -13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.637 -2.497 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.208 -0.993 -12.646 1.00 0.00 H new ATOM 1107 N LYS A 76 13.755 -0.024 -10.460 1.00 0.00 N ATOM 1108 CA LYS A 76 14.234 1.183 -9.797 1.00 0.00 C ATOM 1109 C LYS A 76 13.855 1.181 -8.319 1.00 0.00 C ATOM 1110 O LYS A 76 14.722 1.142 -7.447 1.00 0.00 O ATOM 1111 CB LYS A 76 13.664 2.427 -10.482 1.00 0.00 C ATOM 1112 CG LYS A 76 14.672 3.556 -10.627 1.00 0.00 C ATOM 1113 CD LYS A 76 14.107 4.704 -11.447 1.00 0.00 C ATOM 1114 CE LYS A 76 15.122 5.824 -11.611 1.00 0.00 C ATOM 1115 NZ LYS A 76 16.464 5.305 -11.996 1.00 0.00 N ATOM 0 H LYS A 76 12.771 -0.236 -10.292 1.00 0.00 H new ATOM 0 HA LYS A 76 15.321 1.202 -9.873 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.295 2.151 -11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.808 2.786 -9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.958 3.919 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.577 3.178 -11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.806 4.338 -12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.211 5.092 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.772 6.523 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.202 6.381 -10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.986 6.042 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.993 5.041 -11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.351 4.470 -12.605 1.00 0.00 H new ATOM 1129 N LYS A 77 12.552 1.219 -8.048 1.00 0.00 N ATOM 1130 CA LYS A 77 12.044 1.218 -6.683 1.00 0.00 C ATOM 1131 C LYS A 77 10.559 1.570 -6.658 1.00 0.00 C ATOM 1132 O LYS A 77 10.174 2.653 -6.217 1.00 0.00 O ATOM 1133 CB LYS A 77 12.832 2.198 -5.804 1.00 0.00 C ATOM 1134 CG LYS A 77 13.840 1.520 -4.890 1.00 0.00 C ATOM 1135 CD LYS A 77 13.736 2.034 -3.463 1.00 0.00 C ATOM 1136 CE LYS A 77 14.014 3.526 -3.387 1.00 0.00 C ATOM 1137 NZ LYS A 77 14.535 3.926 -2.051 1.00 0.00 N ATOM 0 H LYS A 77 11.826 1.251 -8.764 1.00 0.00 H new ATOM 0 HA LYS A 77 12.172 0.213 -6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.355 2.908 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.132 2.772 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.676 0.443 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.848 1.693 -5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.739 1.828 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.443 1.498 -2.830 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.737 3.800 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.098 4.077 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.712 4.951 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.835 3.688 -1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.423 3.419 -1.859 1.00 0.00 H new ATOM 1151 N THR A 78 9.728 0.649 -7.135 1.00 0.00 N ATOM 1152 CA THR A 78 8.286 0.864 -7.165 1.00 0.00 C ATOM 1153 C THR A 78 7.538 -0.373 -6.685 1.00 0.00 C ATOM 1154 O THR A 78 7.953 -1.504 -6.940 1.00 0.00 O ATOM 1155 CB THR A 78 7.828 1.225 -8.579 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.522 2.364 -9.056 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.344 1.517 -8.672 1.00 0.00 C ATOM 0 H THR A 78 10.028 -0.253 -7.506 1.00 0.00 H new ATOM 0 HA THR A 78 8.059 1.691 -6.492 1.00 0.00 H new ATOM 0 HB THR A 78 8.047 0.347 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.216 2.578 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.086 1.766 -9.701 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.780 0.638 -8.359 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.097 2.357 -8.023 1.00 0.00 H new ATOM 1165 N VAL A 79 6.426 -0.146 -5.996 1.00 0.00 N ATOM 1166 CA VAL A 79 5.605 -1.234 -5.484 1.00 0.00 C ATOM 1167 C VAL A 79 4.225 -1.216 -6.128 1.00 0.00 C ATOM 1168 O VAL A 79 3.701 -0.154 -6.463 1.00 0.00 O ATOM 1169 CB VAL A 79 5.453 -1.157 -3.954 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.811 -1.257 -3.279 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.738 0.123 -3.545 1.00 0.00 C ATOM 0 H VAL A 79 6.072 0.786 -5.779 1.00 0.00 H new ATOM 0 HA VAL A 79 6.112 -2.165 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 79 4.845 -2.001 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.685 -1.201 -2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.279 -2.206 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.445 -0.436 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.642 0.155 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.312 0.985 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.747 0.147 -3.998 1.00 0.00 H new ATOM 1181 N TYR A 80 3.642 -2.395 -6.305 1.00 0.00 N ATOM 1182 CA TYR A 80 2.326 -2.505 -6.916 1.00 0.00 C ATOM 1183 C TYR A 80 1.458 -3.503 -6.161 1.00 0.00 C ATOM 1184 O TYR A 80 1.873 -4.633 -5.912 1.00 0.00 O ATOM 1185 CB TYR A 80 2.455 -2.922 -8.379 1.00 0.00 C ATOM 1186 CG TYR A 80 3.520 -2.168 -9.121 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.861 -2.369 -8.831 1.00 0.00 C ATOM 1188 CD2 TYR A 80 3.188 -1.260 -10.116 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.843 -1.685 -9.511 1.00 0.00 C ATOM 1190 CE2 TYR A 80 4.165 -0.572 -10.802 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.491 -0.789 -10.495 1.00 0.00 C ATOM 1192 OH TYR A 80 6.470 -0.104 -11.178 1.00 0.00 O ATOM 0 H TYR A 80 4.059 -3.286 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 80 1.846 -1.528 -6.867 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.674 -3.989 -8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.498 -2.771 -8.878 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.139 -3.073 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 80 2.149 -1.090 -10.356 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.884 -1.850 -9.274 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.894 0.132 -11.575 1.00 0.00 H new ATOM 0 HH TYR A 80 6.054 0.488 -11.839 1.00 0.00 H new ATOM 1202 N LEU A 81 0.252 -3.083 -5.795 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.660 -3.951 -5.068 1.00 0.00 C ATOM 1204 C LEU A 81 -1.996 -4.066 -5.797 1.00 0.00 C ATOM 1205 O LEU A 81 -2.674 -3.068 -6.047 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.841 -3.444 -3.623 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.238 -2.939 -3.234 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.512 -3.216 -1.764 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.368 -1.452 -3.529 1.00 0.00 C ATOM 0 H LEU A 81 -0.113 -2.151 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.230 -4.952 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.571 -4.252 -2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.129 -2.636 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.977 -3.474 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.506 -2.852 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.459 -4.289 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.768 -2.706 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.364 -1.111 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.621 -0.901 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.212 -1.277 -4.594 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.357 -5.297 -6.137 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.601 -5.573 -6.838 1.00 0.00 C ATOM 1223 C GLN A 82 -4.710 -5.935 -5.857 1.00 0.00 C ATOM 1224 O GLN A 82 -4.793 -7.072 -5.393 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.392 -6.714 -7.824 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.276 -6.628 -9.058 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.888 -7.633 -10.125 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -3.030 -7.364 -10.966 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.519 -8.801 -10.094 1.00 0.00 N ATOM 0 H GLN A 82 -1.798 -6.126 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.900 -4.674 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.348 -6.725 -8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.583 -7.660 -7.317 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.314 -6.793 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.217 -5.622 -9.473 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.224 -8.981 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.299 -9.518 -10.785 1.00 0.00 H new ATOM 1238 N MET A 83 -5.558 -4.963 -5.541 1.00 0.00 N ATOM 1239 CA MET A 83 -6.657 -5.186 -4.611 1.00 0.00 C ATOM 1240 C MET A 83 -7.830 -5.868 -5.305 1.00 0.00 C ATOM 1241 O MET A 83 -8.737 -5.205 -5.807 1.00 0.00 O ATOM 1242 CB MET A 83 -7.116 -3.862 -4.002 1.00 0.00 C ATOM 1243 CG MET A 83 -5.973 -2.963 -3.578 1.00 0.00 C ATOM 1244 SD MET A 83 -6.243 -1.236 -4.019 1.00 0.00 S ATOM 1245 CE MET A 83 -7.636 -0.831 -2.968 1.00 0.00 C ATOM 0 H MET A 83 -5.505 -4.015 -5.914 1.00 0.00 H new ATOM 0 HA MET A 83 -6.296 -5.840 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.734 -3.333 -4.727 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.746 -4.068 -3.137 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.836 -3.041 -2.499 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.051 -3.312 -4.042 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.456 -0.455 -3.580 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.961 -1.724 -2.435 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.339 -0.067 -2.249 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.807 -7.196 -5.332 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.867 -7.964 -5.962 1.00 0.00 C ATOM 1257 C ASN A 84 -9.983 -8.258 -4.969 1.00 0.00 C ATOM 1258 O ASN A 84 -9.878 -7.926 -3.788 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.323 -9.276 -6.533 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.805 -9.327 -6.591 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.157 -8.374 -7.023 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.233 -10.443 -6.157 1.00 0.00 N ATOM 0 H ASN A 84 -7.063 -7.761 -4.923 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.271 -7.366 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.684 -10.105 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.722 -9.420 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.217 -10.535 -6.173 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.809 -11.209 -5.807 1.00 0.00 H new ATOM 1269 N SER A 85 -11.049 -8.889 -5.460 1.00 0.00 N ATOM 1270 CA SER A 85 -12.202 -9.246 -4.630 1.00 0.00 C ATOM 1271 C SER A 85 -12.469 -8.192 -3.554 1.00 0.00 C ATOM 1272 O SER A 85 -12.627 -8.517 -2.377 1.00 0.00 O ATOM 1273 CB SER A 85 -11.974 -10.609 -3.979 1.00 0.00 C ATOM 1274 OG SER A 85 -13.182 -11.345 -3.898 1.00 0.00 O ATOM 0 H SER A 85 -11.139 -9.166 -6.437 1.00 0.00 H new ATOM 0 HA SER A 85 -13.078 -9.293 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.240 -11.172 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.560 -10.473 -2.980 1.00 0.00 H new ATOM 0 HG SER A 85 -13.008 -12.214 -3.479 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.506 -6.930 -3.967 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.741 -5.830 -3.041 1.00 0.00 C ATOM 1282 C LEU A 86 -14.069 -5.995 -2.310 1.00 0.00 C ATOM 1283 O LEU A 86 -14.910 -6.807 -2.696 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.709 -4.492 -3.782 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.570 -3.557 -3.369 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.225 -4.143 -3.774 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.763 -2.179 -3.983 1.00 0.00 C ATOM 0 H LEU A 86 -12.376 -6.644 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.943 -5.843 -2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.631 -4.687 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.658 -3.980 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.585 -3.453 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.427 -3.465 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.086 -5.107 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.197 -4.278 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.944 -1.527 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.775 -2.263 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.708 -1.758 -3.641 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.242 -5.218 -1.249 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.457 -5.268 -0.447 1.00 0.00 C ATOM 1301 C LYS A 87 -15.815 -3.881 0.083 1.00 0.00 C ATOM 1302 O LYS A 87 -15.008 -2.954 0.007 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.273 -6.245 0.715 1.00 0.00 C ATOM 1304 CG LYS A 87 -15.735 -7.656 0.393 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.559 -8.601 0.204 1.00 0.00 C ATOM 1306 CE LYS A 87 -13.954 -9.014 1.535 1.00 0.00 C ATOM 1307 NZ LYS A 87 -14.997 -9.422 2.516 1.00 0.00 N ATOM 0 H LYS A 87 -13.552 -4.542 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.275 -5.613 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.220 -6.270 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.825 -5.878 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.372 -8.023 1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.341 -7.643 -0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.888 -9.488 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.798 -8.117 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.260 -9.840 1.378 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.376 -8.185 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.567 -10.016 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.413 -8.575 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.741 -9.960 2.028 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.035 -3.716 0.628 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.492 -2.429 1.167 1.00 0.00 C ATOM 1323 C PRO A 88 -16.768 -2.024 2.449 1.00 0.00 C ATOM 1324 O PRO A 88 -17.058 -0.979 3.031 1.00 0.00 O ATOM 1325 CB PRO A 88 -18.978 -2.665 1.444 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.096 -4.135 1.651 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.067 -4.764 0.754 1.00 0.00 C ATOM 0 HA PRO A 88 -17.294 -1.614 0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.309 -2.114 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.594 -2.332 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.917 -4.398 2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.098 -4.485 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.661 -5.678 1.188 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.488 -5.031 -0.215 1.00 0.00 H new ATOM 1335 N GLU A 89 -15.824 -2.848 2.878 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.054 -2.571 4.084 1.00 0.00 C ATOM 1337 C GLU A 89 -13.700 -1.958 3.736 1.00 0.00 C ATOM 1338 O GLU A 89 -13.063 -1.319 4.574 1.00 0.00 O ATOM 1339 CB GLU A 89 -14.853 -3.855 4.892 1.00 0.00 C ATOM 1340 CG GLU A 89 -16.088 -4.287 5.665 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.192 -4.799 4.760 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -16.871 -5.368 3.696 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -18.377 -4.631 5.116 1.00 0.00 O ATOM 0 H GLU A 89 -15.571 -3.717 2.408 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.613 -1.855 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.559 -4.658 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.030 -3.709 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.814 -5.067 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.461 -3.444 6.247 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.265 -2.156 2.494 1.00 0.00 N ATOM 1351 CA ASP A 90 -11.993 -1.628 2.033 1.00 0.00 C ATOM 1352 C ASP A 90 -12.106 -0.145 1.690 1.00 0.00 C ATOM 1353 O ASP A 90 -11.104 0.571 1.658 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.525 -2.413 0.810 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.563 -3.912 1.037 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -12.676 -4.470 1.131 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -10.479 -4.527 1.121 1.00 0.00 O ATOM 0 H ASP A 90 -13.781 -2.682 1.789 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.264 -1.734 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.155 -2.161 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.509 -2.112 0.555 1.00 0.00 H new ATOM 1362 N THR A 91 -13.330 0.314 1.433 1.00 0.00 N ATOM 1363 CA THR A 91 -13.573 1.706 1.095 1.00 0.00 C ATOM 1364 C THR A 91 -12.942 2.642 2.123 1.00 0.00 C ATOM 1365 O THR A 91 -13.483 2.839 3.212 1.00 0.00 O ATOM 1366 CB THR A 91 -15.077 1.941 1.014 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.649 1.137 -0.001 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.454 3.380 0.734 1.00 0.00 C ATOM 0 H THR A 91 -14.169 -0.265 1.454 1.00 0.00 H new ATOM 0 HA THR A 91 -13.114 1.922 0.130 1.00 0.00 H new ATOM 0 HB THR A 91 -15.464 1.676 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.615 1.297 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.539 3.470 0.691 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.069 4.018 1.529 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.026 3.689 -0.219 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.793 3.212 1.773 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.090 4.123 2.670 1.00 0.00 C ATOM 1378 C ALA A 92 -9.935 4.821 1.959 1.00 0.00 C ATOM 1379 O ALA A 92 -9.664 4.557 0.788 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.580 3.368 3.887 1.00 0.00 C ATOM 0 H ALA A 92 -11.330 3.060 0.877 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.795 4.889 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.057 4.057 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.421 2.922 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.896 2.582 3.567 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.257 5.712 2.678 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.134 6.447 2.123 1.00 0.00 C ATOM 1388 C VAL A 93 -6.858 5.606 2.145 1.00 0.00 C ATOM 1389 O VAL A 93 -6.216 5.454 3.183 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.919 7.765 2.895 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.329 7.512 4.276 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -7.046 8.719 2.094 1.00 0.00 C ATOM 0 H VAL A 93 -9.470 5.940 3.649 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.367 6.681 1.084 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.894 8.232 3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.191 8.462 4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.007 6.882 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.366 7.011 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.906 9.643 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.076 8.257 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.529 8.942 1.143 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.501 5.050 0.992 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.319 4.220 0.881 1.00 0.00 C ATOM 1404 C TYR A 94 -4.065 5.072 0.730 1.00 0.00 C ATOM 1405 O TYR A 94 -3.778 5.590 -0.349 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.472 3.281 -0.310 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.012 1.922 0.066 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.260 1.793 0.663 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.276 0.768 -0.171 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -7.759 0.554 1.014 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -5.769 -0.476 0.176 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.011 -0.577 0.768 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.505 -1.813 1.118 1.00 0.00 O ATOM 0 H TYR A 94 -7.019 5.163 0.121 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.213 3.634 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.138 3.739 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.503 3.158 -0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.850 2.677 0.856 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.303 0.844 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.730 0.472 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.185 -1.364 -0.015 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.786 -2.477 1.074 1.00 0.00 H new ATOM 1423 N THR A 95 -3.324 5.221 1.821 1.00 0.00 N ATOM 1424 CA THR A 95 -2.106 6.020 1.808 1.00 0.00 C ATOM 1425 C THR A 95 -0.862 5.140 1.774 1.00 0.00 C ATOM 1426 O THR A 95 -0.678 4.271 2.625 1.00 0.00 O ATOM 1427 CB THR A 95 -2.069 6.943 3.028 1.00 0.00 C ATOM 1428 OG1 THR A 95 -1.096 7.959 2.860 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.763 6.222 4.325 1.00 0.00 C ATOM 0 H THR A 95 -3.545 4.800 2.724 1.00 0.00 H new ATOM 0 HA THR A 95 -2.111 6.625 0.901 1.00 0.00 H new ATOM 0 HB THR A 95 -3.072 7.363 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.089 8.539 3.650 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.753 6.939 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.527 5.468 4.511 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.788 5.740 4.252 1.00 0.00 H new ATOM 1437 N CYS A 96 -0.005 5.381 0.787 1.00 0.00 N ATOM 1438 CA CYS A 96 1.230 4.622 0.645 1.00 0.00 C ATOM 1439 C CYS A 96 2.302 5.184 1.572 1.00 0.00 C ATOM 1440 O CYS A 96 2.459 6.400 1.684 1.00 0.00 O ATOM 1441 CB CYS A 96 1.716 4.662 -0.805 1.00 0.00 C ATOM 1442 SG CYS A 96 3.286 3.782 -1.091 1.00 0.00 S ATOM 0 H CYS A 96 -0.144 6.097 0.074 1.00 0.00 H new ATOM 0 HA CYS A 96 1.034 3.585 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.948 4.229 -1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.835 5.702 -1.108 1.00 0.00 H new ATOM 1447 N GLY A 97 3.030 4.298 2.242 1.00 0.00 N ATOM 1448 CA GLY A 97 4.065 4.742 3.153 1.00 0.00 C ATOM 1449 C GLY A 97 5.295 3.857 3.133 1.00 0.00 C ATOM 1450 O GLY A 97 5.330 2.836 2.445 1.00 0.00 O ATOM 0 H GLY A 97 2.922 3.286 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.354 5.761 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.662 4.771 4.165 1.00 0.00 H new ATOM 1454 N ALA A 98 6.302 4.257 3.899 1.00 0.00 N ATOM 1455 CA ALA A 98 7.549 3.512 3.991 1.00 0.00 C ATOM 1456 C ALA A 98 8.044 3.485 5.428 1.00 0.00 C ATOM 1457 O ALA A 98 7.538 4.214 6.281 1.00 0.00 O ATOM 1458 CB ALA A 98 8.600 4.124 3.078 1.00 0.00 C ATOM 0 H ALA A 98 6.277 5.102 4.470 1.00 0.00 H new ATOM 0 HA ALA A 98 7.366 2.487 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.527 3.556 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.246 4.098 2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.781 5.157 3.373 1.00 0.00 H new ATOM 1464 N GLY A 99 9.027 2.637 5.695 1.00 0.00 N ATOM 1465 CA GLY A 99 9.558 2.535 7.040 1.00 0.00 C ATOM 1466 C GLY A 99 11.060 2.709 7.102 1.00 0.00 C ATOM 1467 O GLY A 99 11.735 2.743 6.074 1.00 0.00 O ATOM 0 H GLY A 99 9.464 2.021 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.085 3.289 7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.294 1.562 7.455 1.00 0.00 H new ATOM 1471 N GLU A 100 11.577 2.823 8.320 1.00 0.00 N ATOM 1472 CA GLU A 100 13.001 2.994 8.540 1.00 0.00 C ATOM 1473 C GLU A 100 13.374 2.532 9.946 1.00 0.00 C ATOM 1474 O GLU A 100 12.710 2.885 10.921 1.00 0.00 O ATOM 1475 CB GLU A 100 13.393 4.458 8.342 1.00 0.00 C ATOM 1476 CG GLU A 100 14.836 4.749 8.704 1.00 0.00 C ATOM 1477 CD GLU A 100 15.294 6.116 8.235 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.559 7.099 8.464 1.00 0.00 O ATOM 1479 OE2 GLU A 100 16.388 6.203 7.639 1.00 0.00 O ATOM 0 H GLU A 100 11.022 2.799 9.175 1.00 0.00 H new ATOM 0 HA GLU A 100 13.544 2.386 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.225 4.734 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.740 5.086 8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.955 4.682 9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.477 3.985 8.264 1.00 0.00 H new ATOM 1486 N GLY A 101 14.431 1.734 10.042 1.00 0.00 N ATOM 1487 CA GLY A 101 14.865 1.233 11.328 1.00 0.00 C ATOM 1488 C GLY A 101 13.826 0.348 11.994 1.00 0.00 C ATOM 1489 O GLY A 101 13.933 0.046 13.183 1.00 0.00 O ATOM 0 H GLY A 101 14.995 1.426 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.789 0.669 11.200 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.093 2.074 11.983 1.00 0.00 H new ATOM 1493 N GLY A 102 12.819 -0.071 11.230 1.00 0.00 N ATOM 1494 CA GLY A 102 11.778 -0.922 11.775 1.00 0.00 C ATOM 1495 C GLY A 102 10.471 -0.183 12.005 1.00 0.00 C ATOM 1496 O GLY A 102 9.450 -0.802 12.305 1.00 0.00 O ATOM 0 H GLY A 102 12.707 0.165 10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.604 -1.755 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.120 -1.347 12.719 1.00 0.00 H new ATOM 1500 N THR A 103 10.500 1.141 11.874 1.00 0.00 N ATOM 1501 CA THR A 103 9.313 1.954 12.078 1.00 0.00 C ATOM 1502 C THR A 103 8.704 2.372 10.741 1.00 0.00 C ATOM 1503 O THR A 103 9.224 2.034 9.679 1.00 0.00 O ATOM 1504 CB THR A 103 9.694 3.188 12.889 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.573 2.840 13.945 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.515 3.918 13.496 1.00 0.00 C ATOM 0 H THR A 103 11.336 1.671 11.627 1.00 0.00 H new ATOM 0 HA THR A 103 8.568 1.370 12.618 1.00 0.00 H new ATOM 0 HB THR A 103 10.171 3.856 12.172 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.808 3.644 14.453 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.871 4.782 14.056 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.845 4.250 12.703 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.978 3.247 14.167 1.00 0.00 H new ATOM 1514 N TRP A 104 7.603 3.115 10.803 1.00 0.00 N ATOM 1515 CA TRP A 104 6.924 3.592 9.602 1.00 0.00 C ATOM 1516 C TRP A 104 6.510 5.050 9.764 1.00 0.00 C ATOM 1517 O TRP A 104 5.386 5.345 10.171 1.00 0.00 O ATOM 1518 CB TRP A 104 5.692 2.736 9.305 1.00 0.00 C ATOM 1519 CG TRP A 104 6.011 1.294 9.051 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.127 0.308 9.987 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.252 0.675 7.780 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.423 -0.887 9.379 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.505 -0.689 8.025 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.278 1.138 6.459 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.779 -1.591 7.001 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.552 0.238 5.443 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.798 -1.112 5.721 1.00 0.00 C ATOM 0 H TRP A 104 7.160 3.401 11.676 1.00 0.00 H new ATOM 0 HA TRP A 104 7.620 3.512 8.767 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.001 2.804 10.145 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.177 3.144 8.435 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.004 0.447 11.051 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.560 -1.778 9.857 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.088 2.178 6.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.970 -2.633 7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.576 0.583 4.420 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.007 -1.790 4.906 1.00 0.00 H new ATOM 1538 N ASP A 105 7.425 5.959 9.446 1.00 0.00 N ATOM 1539 CA ASP A 105 7.154 7.387 9.559 1.00 0.00 C ATOM 1540 C ASP A 105 7.136 8.056 8.186 1.00 0.00 C ATOM 1541 O ASP A 105 7.268 9.275 8.075 1.00 0.00 O ATOM 1542 CB ASP A 105 8.194 8.048 10.456 1.00 0.00 C ATOM 1543 CG ASP A 105 7.921 9.522 10.681 1.00 0.00 C ATOM 1544 OD1 ASP A 105 6.822 9.854 11.174 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.806 10.345 10.365 1.00 0.00 O ATOM 0 H ASP A 105 8.360 5.732 9.108 1.00 0.00 H new ATOM 0 HA ASP A 105 6.168 7.511 10.006 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.216 7.536 11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.181 7.930 10.009 1.00 0.00 H new ATOM 1550 N SER A 106 6.967 7.250 7.141 1.00 0.00 N ATOM 1551 CA SER A 106 6.927 7.764 5.777 1.00 0.00 C ATOM 1552 C SER A 106 5.551 7.543 5.157 1.00 0.00 C ATOM 1553 O SER A 106 4.992 6.449 5.237 1.00 0.00 O ATOM 1554 CB SER A 106 8.002 7.087 4.923 1.00 0.00 C ATOM 1555 OG SER A 106 8.949 8.031 4.453 1.00 0.00 O ATOM 0 H SER A 106 6.856 6.239 7.214 1.00 0.00 H new ATOM 0 HA SER A 106 7.124 8.836 5.810 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.508 6.321 5.510 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.535 6.583 4.077 1.00 0.00 H new ATOM 0 HG SER A 106 9.626 7.574 3.912 1.00 0.00 H new ATOM 1561 N TRP A 107 5.008 8.588 4.540 1.00 0.00 N ATOM 1562 CA TRP A 107 3.696 8.506 3.908 1.00 0.00 C ATOM 1563 C TRP A 107 3.684 9.245 2.575 1.00 0.00 C ATOM 1564 O TRP A 107 4.574 10.046 2.288 1.00 0.00 O ATOM 1565 CB TRP A 107 2.625 9.086 4.833 1.00 0.00 C ATOM 1566 CG TRP A 107 2.750 8.623 6.252 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.484 9.208 7.242 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.123 7.477 6.839 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.354 8.496 8.409 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.523 7.428 8.188 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.263 6.488 6.355 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.091 6.430 9.057 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.835 5.497 7.218 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.248 5.475 8.556 1.00 0.00 C ATOM 0 H TRP A 107 5.456 9.501 4.464 1.00 0.00 H new ATOM 0 HA TRP A 107 3.477 7.455 3.721 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.684 10.174 4.807 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.641 8.811 4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.080 10.101 7.125 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.803 8.724 9.296 1.00 0.00 H new ATOM 0 HE3 TRP A 107 0.938 6.498 5.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.409 6.410 10.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.171 4.727 6.855 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.894 4.688 9.206 1.00 0.00 H new ATOM 1585 N GLY A 108 2.668 8.969 1.764 1.00 0.00 N ATOM 1586 CA GLY A 108 2.554 9.615 0.469 1.00 0.00 C ATOM 1587 C GLY A 108 1.437 10.640 0.426 1.00 0.00 C ATOM 1588 O GLY A 108 1.199 11.348 1.404 1.00 0.00 O ATOM 0 H GLY A 108 1.921 8.309 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.498 10.102 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.378 8.859 -0.296 1.00 0.00 H new ATOM 1592 N GLN A 109 0.752 10.720 -0.710 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.345 11.665 -0.877 1.00 0.00 C ATOM 1594 C GLN A 109 -1.674 11.037 -0.471 1.00 0.00 C ATOM 1595 O GLN A 109 -2.548 11.707 0.078 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.416 12.143 -2.327 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.240 13.408 -2.511 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.416 14.573 -3.025 1.00 0.00 C ATOM 1599 OE1 GLN A 109 0.045 14.566 -4.166 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -0.227 15.582 -2.182 1.00 0.00 N ATOM 0 H GLN A 109 0.938 10.141 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.156 12.520 -0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.595 12.322 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.841 11.350 -2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.054 13.208 -3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.695 13.682 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.628 15.546 -1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.319 16.393 -2.472 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.817 9.744 -0.743 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.039 9.043 -0.397 1.00 0.00 C ATOM 1611 C GLY A 110 -3.976 8.875 -1.577 1.00 0.00 C ATOM 1612 O GLY A 110 -3.996 9.702 -2.489 1.00 0.00 O ATOM 0 H GLY A 110 -1.108 9.169 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.788 8.061 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.553 9.588 0.394 1.00 0.00 H new ATOM 1616 N THR A 111 -4.762 7.803 -1.550 1.00 0.00 N ATOM 1617 CA THR A 111 -5.719 7.523 -2.614 1.00 0.00 C ATOM 1618 C THR A 111 -6.970 6.873 -2.034 1.00 0.00 C ATOM 1619 O THR A 111 -6.915 5.765 -1.501 1.00 0.00 O ATOM 1620 CB THR A 111 -5.090 6.623 -3.685 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.893 6.601 -4.851 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.891 5.189 -3.240 1.00 0.00 C ATOM 0 H THR A 111 -4.754 7.112 -0.800 1.00 0.00 H new ATOM 0 HA THR A 111 -6.001 8.464 -3.086 1.00 0.00 H new ATOM 0 HB THR A 111 -4.110 7.058 -3.880 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.375 6.938 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.442 4.615 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.233 5.166 -2.371 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.855 4.753 -2.977 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.095 7.573 -2.123 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.346 7.072 -1.594 1.00 0.00 C ATOM 1632 C GLN A 112 -9.948 6.009 -2.509 1.00 0.00 C ATOM 1633 O GLN A 112 -10.045 6.198 -3.721 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.316 8.236 -1.420 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.967 8.305 -0.050 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.380 7.775 -0.064 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.528 6.545 -0.523 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.323 8.460 0.332 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.160 8.493 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.157 6.603 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.783 9.169 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.096 8.160 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.373 7.732 0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.972 9.338 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.157 9.405 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.270 8.082 0.315 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.362 4.897 -1.912 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.968 3.805 -2.651 1.00 0.00 C ATOM 1649 C VAL A 113 -12.452 3.710 -2.313 1.00 0.00 C ATOM 1650 O VAL A 113 -12.821 3.598 -1.143 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.274 2.471 -2.318 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -11.033 1.291 -2.912 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.833 2.484 -2.807 1.00 0.00 C ATOM 0 H VAL A 113 -10.286 4.731 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.850 4.003 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.272 2.354 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.519 0.364 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.044 1.267 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.080 1.397 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.358 1.534 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.817 2.632 -3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.291 3.296 -2.321 1.00 0.00 H new ATOM 1663 N THR A 114 -13.297 3.771 -3.337 1.00 0.00 N ATOM 1664 CA THR A 114 -14.739 3.707 -3.141 1.00 0.00 C ATOM 1665 C THR A 114 -15.322 2.419 -3.716 1.00 0.00 C ATOM 1666 O THR A 114 -15.261 2.182 -4.923 1.00 0.00 O ATOM 1667 CB THR A 114 -15.408 4.922 -3.788 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.964 6.121 -3.179 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.920 4.898 -3.702 1.00 0.00 C ATOM 0 H THR A 114 -13.007 3.865 -4.310 1.00 0.00 H new ATOM 0 HA THR A 114 -14.935 3.714 -2.069 1.00 0.00 H new ATOM 0 HB THR A 114 -15.122 4.879 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.401 6.887 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.326 5.789 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 114 -17.299 4.010 -4.208 1.00 0.00 H new ATOM 0 HG23 THR A 114 -17.225 4.878 -2.656 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.897 1.596 -2.844 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.504 0.338 -3.257 1.00 0.00 C ATOM 1679 C VAL A 115 -17.978 0.311 -2.858 1.00 0.00 C ATOM 1680 O VAL A 115 -18.537 1.333 -2.462 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.780 -0.881 -2.637 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.792 -2.060 -3.601 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.349 -0.528 -2.247 1.00 0.00 C ATOM 0 H VAL A 115 -15.955 1.780 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.412 0.271 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.318 -1.166 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.278 -2.907 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.822 -2.338 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.284 -1.780 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.864 -1.403 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.799 -0.209 -3.132 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.360 0.280 -1.516 1.00 0.00 H new ATOM 1693 N SER A 116 -18.605 -0.855 -2.962 1.00 0.00 N ATOM 1694 CA SER A 116 -20.013 -0.994 -2.607 1.00 0.00 C ATOM 1695 C SER A 116 -20.406 -2.464 -2.464 1.00 0.00 C ATOM 1696 O SER A 116 -20.357 -3.022 -1.368 1.00 0.00 O ATOM 1697 CB SER A 116 -20.894 -0.306 -3.654 1.00 0.00 C ATOM 1698 OG SER A 116 -20.680 -0.855 -4.942 1.00 0.00 O ATOM 0 H SER A 116 -18.163 -1.715 -3.288 1.00 0.00 H new ATOM 0 HA SER A 116 -20.167 -0.511 -1.642 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.943 -0.415 -3.379 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.678 0.762 -3.670 1.00 0.00 H new ATOM 0 HG SER A 116 -21.256 -0.400 -5.591 1.00 0.00 H new