USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 795 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 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= -0.0118 USER MOD Set 2.1: A 33 HIS : no HE2:sc= -0.546 K(o=-0.62,f=-4.9) USER MOD Set 2.2: A 52 ASN : amide:sc= -0.0778 X(o=-0.62,f=-0.71) USER MOD Single : A 3 GLN : amide:sc= 0.0972 X(o=0.097,f=-0.067) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc=-0.00707 F(o=-1.5,f=-0.0071) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -38:sc= 0.928 USER MOD Single : A 25 SER OG : rot 43:sc= 0.322 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -27:sc= 0.417 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 169:sc= -5.39! (180deg=-6.04!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot -107:sc= 1.06 USER MOD Single : A 50 THR OG1 : rot 105:sc= -0.0554 USER MOD Single : A 57 SER OG : rot 180:sc= 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 70:sc= 0.099 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 35:sc= 0.186 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.46 F(o=-3.8!,f=-1.5) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.265 K(o=-0.26,f=-7!) USER MOD Single : A 83 MET CE :methyl -128:sc= -3.28! (180deg=-4.66!) USER MOD Single : A 84 ASN : amide:sc= -0.79 X(o=-0.79,f=-0.79) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0473) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 94 TYR OH : rot 137:sc= 0.76! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 24:sc= 0.757 USER MOD Single : A 109 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.3!) USER MOD Single : A 111 THR OG1 : rot 60:sc= -0.769 USER MOD Single : A 112 GLN : amide:sc=-0.00381 X(o=-0.0038,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 15 N VAL A 2 -9.218 -8.758 6.377 1.00 0.00 N ATOM 16 CA VAL A 2 -8.292 -8.965 5.269 1.00 0.00 C ATOM 17 C VAL A 2 -6.846 -8.986 5.752 1.00 0.00 C ATOM 18 O VAL A 2 -6.399 -8.078 6.453 1.00 0.00 O ATOM 19 CB VAL A 2 -8.444 -7.872 4.193 1.00 0.00 C ATOM 20 CG1 VAL A 2 -9.478 -8.281 3.155 1.00 0.00 C ATOM 21 CG2 VAL A 2 -8.815 -6.540 4.825 1.00 0.00 C ATOM 0 HA VAL A 2 -8.540 -9.932 4.832 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.484 -7.753 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.570 -7.496 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.164 -9.208 2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.442 -8.433 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.917 -5.784 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.760 -6.641 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.034 -6.239 5.524 1.00 0.00 H new ATOM 31 N GLN A 3 -6.117 -10.027 5.365 1.00 0.00 N ATOM 32 CA GLN A 3 -4.717 -10.173 5.747 1.00 0.00 C ATOM 33 C GLN A 3 -3.850 -10.394 4.513 1.00 0.00 C ATOM 34 O GLN A 3 -4.144 -11.259 3.687 1.00 0.00 O ATOM 35 CB GLN A 3 -4.546 -11.339 6.720 1.00 0.00 C ATOM 36 CG GLN A 3 -3.226 -11.313 7.471 1.00 0.00 C ATOM 37 CD GLN A 3 -2.421 -12.583 7.279 1.00 0.00 C ATOM 38 OE1 GLN A 3 -2.930 -13.688 7.460 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.155 -12.428 6.909 1.00 0.00 N ATOM 0 H GLN A 3 -6.474 -10.786 4.784 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.400 -9.255 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.365 -11.324 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.623 -12.276 6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.637 -10.460 7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.420 -11.167 8.534 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.775 -11.492 6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.563 -13.245 6.763 1.00 0.00 H new ATOM 48 N LEU A 4 -2.788 -9.605 4.384 1.00 0.00 N ATOM 49 CA LEU A 4 -1.895 -9.721 3.235 1.00 0.00 C ATOM 50 C LEU A 4 -0.514 -10.218 3.652 1.00 0.00 C ATOM 51 O LEU A 4 -0.281 -10.537 4.818 1.00 0.00 O ATOM 52 CB LEU A 4 -1.765 -8.375 2.516 1.00 0.00 C ATOM 53 CG LEU A 4 -2.726 -7.277 2.983 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.327 -5.941 2.386 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.160 -7.614 2.605 1.00 0.00 C ATOM 0 H LEU A 4 -2.525 -8.883 5.055 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.331 -10.451 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.744 -8.015 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.919 -8.537 1.449 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.666 -7.211 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.018 -5.170 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.316 -5.688 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.360 -6.004 1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.823 -6.819 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.238 -7.710 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.449 -8.555 3.074 1.00 0.00 H new ATOM 67 N GLN A 5 0.398 -10.281 2.684 1.00 0.00 N ATOM 68 CA GLN A 5 1.758 -10.741 2.938 1.00 0.00 C ATOM 69 C GLN A 5 2.753 -10.021 2.031 1.00 0.00 C ATOM 70 O GLN A 5 2.753 -10.218 0.815 1.00 0.00 O ATOM 71 CB GLN A 5 1.855 -12.252 2.724 1.00 0.00 C ATOM 72 CG GLN A 5 3.149 -12.858 3.240 1.00 0.00 C ATOM 73 CD GLN A 5 3.094 -14.371 3.324 1.00 0.00 C ATOM 74 OE1 GLN A 5 2.366 -14.933 4.142 1.00 0.00 O ATOM 75 NE2 GLN A 5 3.868 -15.038 2.476 1.00 0.00 N ATOM 0 H GLN A 5 0.217 -10.018 1.715 1.00 0.00 H new ATOM 0 HA GLN A 5 2.006 -10.512 3.974 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.014 -12.736 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.763 -12.466 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.969 -12.564 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.368 -12.451 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.456 -14.530 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.875 -16.058 2.486 1.00 0.00 H new ATOM 84 N ALA A 6 3.593 -9.184 2.630 1.00 0.00 N ATOM 85 CA ALA A 6 4.589 -8.431 1.876 1.00 0.00 C ATOM 86 C ALA A 6 5.933 -9.152 1.850 1.00 0.00 C ATOM 87 O ALA A 6 6.564 -9.350 2.889 1.00 0.00 O ATOM 88 CB ALA A 6 4.746 -7.037 2.463 1.00 0.00 C ATOM 0 H ALA A 6 3.604 -9.010 3.635 1.00 0.00 H new ATOM 0 HA ALA A 6 4.239 -8.347 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.492 -6.484 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.791 -6.513 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.067 -7.114 3.502 1.00 0.00 H new ATOM 94 N SER A 7 6.364 -9.540 0.655 1.00 0.00 N ATOM 95 CA SER A 7 7.635 -10.236 0.485 1.00 0.00 C ATOM 96 C SER A 7 8.331 -9.788 -0.797 1.00 0.00 C ATOM 97 O SER A 7 7.679 -9.474 -1.793 1.00 0.00 O ATOM 98 CB SER A 7 7.414 -11.749 0.457 1.00 0.00 C ATOM 99 OG SER A 7 8.643 -12.443 0.327 1.00 0.00 O ATOM 0 H SER A 7 5.851 -9.384 -0.213 1.00 0.00 H new ATOM 0 HA SER A 7 8.274 -9.986 1.332 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.911 -12.063 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.757 -12.008 -0.373 1.00 0.00 H new ATOM 0 HG SER A 7 8.474 -13.408 0.313 1.00 0.00 H new ATOM 105 N GLY A 8 9.659 -9.759 -0.763 1.00 0.00 N ATOM 106 CA GLY A 8 10.422 -9.348 -1.927 1.00 0.00 C ATOM 107 C GLY A 8 11.587 -8.449 -1.567 1.00 0.00 C ATOM 108 O GLY A 8 12.398 -8.100 -2.425 1.00 0.00 O ATOM 0 H GLY A 8 10.221 -10.013 0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.795 -10.232 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.765 -8.826 -2.623 1.00 0.00 H new ATOM 112 N GLY A 9 11.671 -8.077 -0.293 1.00 0.00 N ATOM 113 CA GLY A 9 12.749 -7.218 0.159 1.00 0.00 C ATOM 114 C GLY A 9 14.113 -7.829 -0.082 1.00 0.00 C ATOM 115 O GLY A 9 14.311 -9.026 0.124 1.00 0.00 O ATOM 0 H GLY A 9 11.012 -8.355 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.687 -6.260 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.627 -7.016 1.223 1.00 0.00 H new ATOM 119 N GLY A 10 15.053 -7.004 -0.530 1.00 0.00 N ATOM 120 CA GLY A 10 16.393 -7.489 -0.805 1.00 0.00 C ATOM 121 C GLY A 10 17.486 -6.593 -0.251 1.00 0.00 C ATOM 122 O GLY A 10 17.215 -5.622 0.462 1.00 0.00 O ATOM 0 H GLY A 10 14.912 -6.010 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.503 -8.488 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.523 -7.583 -1.883 1.00 0.00 H new ATOM 126 N LEU A 11 18.730 -6.933 -0.583 1.00 0.00 N ATOM 127 CA LEU A 11 19.893 -6.176 -0.134 1.00 0.00 C ATOM 128 C LEU A 11 20.523 -5.420 -1.301 1.00 0.00 C ATOM 129 O LEU A 11 21.116 -6.027 -2.192 1.00 0.00 O ATOM 130 CB LEU A 11 20.929 -7.123 0.481 1.00 0.00 C ATOM 131 CG LEU A 11 21.307 -6.832 1.935 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.877 -5.427 2.070 1.00 0.00 C ATOM 133 CD2 LEU A 11 20.104 -7.016 2.848 1.00 0.00 C ATOM 0 H LEU A 11 18.958 -7.737 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 11 19.567 -5.457 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.545 -8.141 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.834 -7.087 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 11 22.077 -7.542 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.140 -5.239 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.768 -5.335 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.132 -4.700 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.393 -6.805 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.310 -6.333 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.746 -8.043 2.775 1.00 0.00 H new ATOM 145 N VAL A 12 20.393 -4.095 -1.297 1.00 0.00 N ATOM 146 CA VAL A 12 20.957 -3.279 -2.369 1.00 0.00 C ATOM 147 C VAL A 12 21.945 -2.251 -1.831 1.00 0.00 C ATOM 148 O VAL A 12 22.232 -2.212 -0.636 1.00 0.00 O ATOM 149 CB VAL A 12 19.857 -2.545 -3.166 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.666 -3.458 -3.406 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.425 -1.272 -2.451 1.00 0.00 C ATOM 0 H VAL A 12 19.907 -3.568 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 12 21.481 -3.967 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 12 20.272 -2.264 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.903 -2.920 -3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.986 -4.333 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.253 -3.777 -2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.650 -0.773 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 12 19.034 -1.523 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.282 -0.607 -2.343 1.00 0.00 H new ATOM 161 N GLN A 13 22.449 -1.410 -2.728 1.00 0.00 N ATOM 162 CA GLN A 13 23.392 -0.363 -2.363 1.00 0.00 C ATOM 163 C GLN A 13 22.681 0.990 -2.327 1.00 0.00 C ATOM 164 O GLN A 13 21.549 1.104 -2.800 1.00 0.00 O ATOM 165 CB GLN A 13 24.550 -0.330 -3.364 1.00 0.00 C ATOM 166 CG GLN A 13 25.420 -1.576 -3.327 1.00 0.00 C ATOM 167 CD GLN A 13 25.085 -2.555 -4.436 1.00 0.00 C ATOM 168 OE1 GLN A 13 24.042 -3.351 -4.228 1.00 0.00 O flip ATOM 169 NE2 GLN A 13 25.754 -2.595 -5.468 1.00 0.00 N flip ATOM 0 H GLN A 13 22.217 -1.435 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 13 23.793 -0.574 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.147 -0.208 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.171 0.543 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 13 26.467 -1.286 -3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 13 25.300 -2.070 -2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 13 26.547 -1.965 -5.586 1.00 0.00 H new ATOM 0 HE22 GLN A 13 25.515 -3.258 -6.205 1.00 0.00 H new ATOM 178 N PRO A 14 23.317 2.033 -1.759 1.00 0.00 N ATOM 179 CA PRO A 14 22.717 3.371 -1.666 1.00 0.00 C ATOM 180 C PRO A 14 22.605 4.064 -3.025 1.00 0.00 C ATOM 181 O PRO A 14 22.675 5.291 -3.112 1.00 0.00 O ATOM 182 CB PRO A 14 23.679 4.146 -0.752 1.00 0.00 C ATOM 183 CG PRO A 14 24.564 3.111 -0.140 1.00 0.00 C ATOM 184 CD PRO A 14 24.652 2.004 -1.146 1.00 0.00 C ATOM 0 HA PRO A 14 21.696 3.321 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.259 4.874 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.134 4.699 0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.550 3.520 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 14 24.151 2.751 0.803 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.440 2.181 -1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.863 1.043 -0.676 1.00 0.00 H new ATOM 192 N GLY A 15 22.427 3.273 -4.081 1.00 0.00 N ATOM 193 CA GLY A 15 22.303 3.825 -5.416 1.00 0.00 C ATOM 194 C GLY A 15 21.942 2.771 -6.445 1.00 0.00 C ATOM 195 O GLY A 15 22.341 2.867 -7.607 1.00 0.00 O ATOM 0 H GLY A 15 22.367 2.256 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.541 4.604 -5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 15 23.243 4.299 -5.699 1.00 0.00 H new ATOM 199 N GLY A 16 21.186 1.762 -6.018 1.00 0.00 N ATOM 200 CA GLY A 16 20.784 0.701 -6.923 1.00 0.00 C ATOM 201 C GLY A 16 19.294 0.707 -7.199 1.00 0.00 C ATOM 202 O GLY A 16 18.709 1.758 -7.463 1.00 0.00 O ATOM 0 H GLY A 16 20.845 1.661 -5.062 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.325 0.806 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.068 -0.262 -6.498 1.00 0.00 H new ATOM 206 N SER A 17 18.678 -0.469 -7.135 1.00 0.00 N ATOM 207 CA SER A 17 17.246 -0.599 -7.377 1.00 0.00 C ATOM 208 C SER A 17 16.701 -1.861 -6.717 1.00 0.00 C ATOM 209 O SER A 17 17.398 -2.871 -6.620 1.00 0.00 O ATOM 210 CB SER A 17 16.959 -0.632 -8.880 1.00 0.00 C ATOM 211 OG SER A 17 15.605 -0.307 -9.148 1.00 0.00 O ATOM 0 H SER A 17 19.149 -1.347 -6.917 1.00 0.00 H new ATOM 0 HA SER A 17 16.748 0.267 -6.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.614 0.072 -9.394 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.183 -1.623 -9.275 1.00 0.00 H new ATOM 0 HG SER A 17 15.447 -0.333 -10.115 1.00 0.00 H new ATOM 217 N LEU A 18 15.455 -1.796 -6.260 1.00 0.00 N ATOM 218 CA LEU A 18 14.824 -2.937 -5.607 1.00 0.00 C ATOM 219 C LEU A 18 13.348 -3.036 -5.981 1.00 0.00 C ATOM 220 O LEU A 18 12.695 -2.027 -6.244 1.00 0.00 O ATOM 221 CB LEU A 18 14.981 -2.825 -4.087 1.00 0.00 C ATOM 222 CG LEU A 18 14.850 -4.138 -3.305 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.621 -5.261 -3.987 1.00 0.00 C ATOM 224 CD2 LEU A 18 15.342 -3.953 -1.878 1.00 0.00 C ATOM 0 H LEU A 18 14.864 -0.968 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 18 15.320 -3.845 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.958 -2.392 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.233 -2.125 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 18 13.796 -4.415 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.511 -6.180 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 18 15.229 -5.413 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.676 -4.994 -4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 18 15.243 -4.893 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 18 16.389 -3.649 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.747 -3.184 -1.385 1.00 0.00 H new ATOM 236 N ARG A 19 12.832 -4.262 -6.007 1.00 0.00 N ATOM 237 CA ARG A 19 11.434 -4.499 -6.351 1.00 0.00 C ATOM 238 C ARG A 19 10.761 -5.388 -5.313 1.00 0.00 C ATOM 239 O ARG A 19 11.033 -6.586 -5.239 1.00 0.00 O ATOM 240 CB ARG A 19 11.332 -5.147 -7.733 1.00 0.00 C ATOM 241 CG ARG A 19 9.903 -5.377 -8.200 1.00 0.00 C ATOM 242 CD ARG A 19 9.859 -5.781 -9.665 1.00 0.00 C ATOM 243 NE ARG A 19 9.720 -4.626 -10.548 1.00 0.00 N ATOM 244 CZ ARG A 19 8.584 -4.289 -11.151 1.00 0.00 C ATOM 245 NH1 ARG A 19 7.488 -5.013 -10.959 1.00 0.00 N ATOM 246 NH2 ARG A 19 8.542 -3.228 -11.945 1.00 0.00 N ATOM 0 H ARG A 19 13.362 -5.107 -5.794 1.00 0.00 H new ATOM 0 HA ARG A 19 10.922 -3.537 -6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.844 -4.515 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.857 -6.102 -7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.440 -6.154 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.319 -4.468 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.770 -6.324 -9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.025 -6.464 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 19 10.542 -4.044 -10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.517 -5.829 -10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.617 -4.753 -11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.382 -2.669 -12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.670 -2.971 -12.407 1.00 0.00 H new ATOM 260 N VAL A 20 9.883 -4.794 -4.511 1.00 0.00 N ATOM 261 CA VAL A 20 9.175 -5.540 -3.475 1.00 0.00 C ATOM 262 C VAL A 20 7.723 -5.804 -3.875 1.00 0.00 C ATOM 263 O VAL A 20 7.107 -5.004 -4.579 1.00 0.00 O ATOM 264 CB VAL A 20 9.218 -4.795 -2.128 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.657 -4.542 -1.713 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.437 -3.489 -2.203 1.00 0.00 C ATOM 0 H VAL A 20 9.645 -3.803 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 20 9.684 -6.498 -3.363 1.00 0.00 H new ATOM 0 HB VAL A 20 8.745 -5.422 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.673 -4.015 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.179 -5.493 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.153 -3.936 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.483 -2.982 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.871 -2.849 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.397 -3.701 -2.453 1.00 0.00 H new ATOM 276 N SER A 21 7.187 -6.942 -3.434 1.00 0.00 N ATOM 277 CA SER A 21 5.812 -7.324 -3.756 1.00 0.00 C ATOM 278 C SER A 21 5.026 -7.700 -2.502 1.00 0.00 C ATOM 279 O SER A 21 5.601 -7.900 -1.434 1.00 0.00 O ATOM 280 CB SER A 21 5.808 -8.495 -4.740 1.00 0.00 C ATOM 281 OG SER A 21 6.002 -9.727 -4.067 1.00 0.00 O ATOM 0 H SER A 21 7.685 -7.616 -2.852 1.00 0.00 H new ATOM 0 HA SER A 21 5.327 -6.462 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.861 -8.517 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.595 -8.354 -5.481 1.00 0.00 H new ATOM 0 HG SER A 21 6.649 -9.605 -3.341 1.00 0.00 H new ATOM 287 N CYS A 22 3.702 -7.789 -2.641 1.00 0.00 N ATOM 288 CA CYS A 22 2.832 -8.139 -1.519 1.00 0.00 C ATOM 289 C CYS A 22 1.612 -8.924 -1.989 1.00 0.00 C ATOM 290 O CYS A 22 0.680 -8.356 -2.554 1.00 0.00 O ATOM 291 CB CYS A 22 2.377 -6.876 -0.787 1.00 0.00 C ATOM 292 SG CYS A 22 0.936 -7.130 0.302 1.00 0.00 S ATOM 0 H CYS A 22 3.210 -7.624 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 22 3.406 -8.767 -0.838 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.207 -6.494 -0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.133 -6.110 -1.523 1.00 0.00 H new ATOM 297 N ALA A 23 1.615 -10.229 -1.743 1.00 0.00 N ATOM 298 CA ALA A 23 0.498 -11.077 -2.139 1.00 0.00 C ATOM 299 C ALA A 23 -0.598 -11.064 -1.077 1.00 0.00 C ATOM 300 O ALA A 23 -0.496 -11.746 -0.057 1.00 0.00 O ATOM 301 CB ALA A 23 0.971 -12.498 -2.397 1.00 0.00 C ATOM 0 H ALA A 23 2.375 -10.721 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 23 0.081 -10.678 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.123 -13.116 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.713 -12.495 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.417 -12.903 -1.489 1.00 0.00 H new ATOM 307 N ALA A 24 -1.641 -10.277 -1.324 1.00 0.00 N ATOM 308 CA ALA A 24 -2.756 -10.166 -0.390 1.00 0.00 C ATOM 309 C ALA A 24 -3.787 -11.267 -0.623 1.00 0.00 C ATOM 310 O ALA A 24 -3.662 -12.061 -1.555 1.00 0.00 O ATOM 311 CB ALA A 24 -3.407 -8.796 -0.511 1.00 0.00 C ATOM 0 H ALA A 24 -1.737 -9.706 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.364 -10.285 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.238 -8.725 0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.673 -8.023 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.777 -8.658 -1.527 1.00 0.00 H new ATOM 317 N SER A 25 -4.804 -11.308 0.233 1.00 0.00 N ATOM 318 CA SER A 25 -5.859 -12.310 0.125 1.00 0.00 C ATOM 319 C SER A 25 -7.089 -11.890 0.923 1.00 0.00 C ATOM 320 O SER A 25 -7.111 -11.993 2.150 1.00 0.00 O ATOM 321 CB SER A 25 -5.357 -13.668 0.621 1.00 0.00 C ATOM 322 OG SER A 25 -4.944 -14.485 -0.460 1.00 0.00 O ATOM 0 H SER A 25 -4.920 -10.658 1.010 1.00 0.00 H new ATOM 0 HA SER A 25 -6.138 -12.395 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.525 -13.522 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.148 -14.170 1.179 1.00 0.00 H new ATOM 0 HG SER A 25 -4.431 -13.947 -1.099 1.00 0.00 H new ATOM 328 N GLY A 26 -8.112 -11.417 0.219 1.00 0.00 N ATOM 329 CA GLY A 26 -9.332 -10.988 0.878 1.00 0.00 C ATOM 330 C GLY A 26 -10.201 -10.129 -0.018 1.00 0.00 C ATOM 331 O GLY A 26 -11.428 -10.235 0.008 1.00 0.00 O ATOM 0 H GLY A 26 -8.118 -11.323 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.897 -11.864 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.078 -10.428 1.778 1.00 0.00 H new ATOM 335 N PHE A 27 -9.562 -9.278 -0.814 1.00 0.00 N ATOM 336 CA PHE A 27 -10.278 -8.396 -1.725 1.00 0.00 C ATOM 337 C PHE A 27 -9.558 -8.310 -3.068 1.00 0.00 C ATOM 338 O PHE A 27 -8.564 -9.002 -3.292 1.00 0.00 O ATOM 339 CB PHE A 27 -10.429 -7.003 -1.105 1.00 0.00 C ATOM 340 CG PHE A 27 -9.147 -6.222 -1.026 1.00 0.00 C ATOM 341 CD1 PHE A 27 -8.737 -5.428 -2.085 1.00 0.00 C ATOM 342 CD2 PHE A 27 -8.358 -6.276 0.112 1.00 0.00 C ATOM 343 CE1 PHE A 27 -7.564 -4.705 -2.013 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.184 -5.552 0.191 1.00 0.00 C ATOM 345 CZ PHE A 27 -6.787 -4.766 -0.874 1.00 0.00 C ATOM 0 H PHE A 27 -8.547 -9.181 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.272 -8.809 -1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.153 -6.434 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.841 -7.107 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.343 -5.374 -2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.664 -6.890 0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.254 -4.092 -2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.578 -5.600 1.083 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.869 -4.200 -0.815 1.00 0.00 H new ATOM 355 N THR A 28 -10.059 -7.458 -3.960 1.00 0.00 N ATOM 356 CA THR A 28 -9.451 -7.296 -5.274 1.00 0.00 C ATOM 357 C THR A 28 -8.303 -6.290 -5.231 1.00 0.00 C ATOM 358 O THR A 28 -7.234 -6.598 -4.709 1.00 0.00 O ATOM 359 CB THR A 28 -10.478 -6.852 -6.331 1.00 0.00 C ATOM 360 OG1 THR A 28 -11.658 -7.661 -6.243 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.886 -6.959 -7.729 1.00 0.00 C ATOM 0 H THR A 28 -10.879 -6.874 -3.796 1.00 0.00 H new ATOM 0 HA THR A 28 -9.062 -8.274 -5.559 1.00 0.00 H new ATOM 0 HB THR A 28 -10.741 -5.812 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.306 -7.369 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.626 -6.641 -8.463 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.006 -6.320 -7.801 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.601 -7.993 -7.925 1.00 0.00 H new ATOM 369 N PHE A 29 -8.526 -5.093 -5.784 1.00 0.00 N ATOM 370 CA PHE A 29 -7.500 -4.054 -5.805 1.00 0.00 C ATOM 371 C PHE A 29 -8.053 -2.741 -6.353 1.00 0.00 C ATOM 372 O PHE A 29 -8.076 -1.728 -5.655 1.00 0.00 O ATOM 373 CB PHE A 29 -6.310 -4.500 -6.661 1.00 0.00 C ATOM 374 CG PHE A 29 -5.059 -4.806 -5.881 1.00 0.00 C ATOM 375 CD1 PHE A 29 -5.052 -4.785 -4.493 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.887 -5.120 -6.544 1.00 0.00 C ATOM 377 CE1 PHE A 29 -3.902 -5.070 -3.788 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.734 -5.408 -5.842 1.00 0.00 C ATOM 379 CZ PHE A 29 -2.740 -5.383 -4.463 1.00 0.00 C ATOM 0 H PHE A 29 -9.407 -4.823 -6.221 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.172 -3.892 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.597 -5.387 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.088 -3.718 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.959 -4.542 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.874 -5.140 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.911 -5.048 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.826 -5.653 -6.373 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.838 -5.608 -3.913 1.00 0.00 H new ATOM 389 N SER A 30 -8.486 -2.765 -7.611 1.00 0.00 N ATOM 390 CA SER A 30 -9.028 -1.575 -8.260 1.00 0.00 C ATOM 391 C SER A 30 -10.292 -1.089 -7.557 1.00 0.00 C ATOM 392 O SER A 30 -10.786 0.004 -7.836 1.00 0.00 O ATOM 393 CB SER A 30 -9.329 -1.866 -9.731 1.00 0.00 C ATOM 394 OG SER A 30 -9.810 -0.707 -10.390 1.00 0.00 O ATOM 0 H SER A 30 -8.472 -3.597 -8.202 1.00 0.00 H new ATOM 0 HA SER A 30 -8.278 -0.787 -8.195 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.426 -2.222 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.069 -2.663 -9.804 1.00 0.00 H new ATOM 0 HG SER A 30 -10.246 -0.118 -9.739 1.00 0.00 H new ATOM 400 N SER A 31 -10.811 -1.901 -6.644 1.00 0.00 N ATOM 401 CA SER A 31 -12.015 -1.544 -5.904 1.00 0.00 C ATOM 402 C SER A 31 -11.658 -0.973 -4.536 1.00 0.00 C ATOM 403 O SER A 31 -12.478 -0.320 -3.890 1.00 0.00 O ATOM 404 CB SER A 31 -12.921 -2.764 -5.743 1.00 0.00 C ATOM 405 OG SER A 31 -14.086 -2.643 -6.541 1.00 0.00 O ATOM 0 H SER A 31 -10.418 -2.810 -6.399 1.00 0.00 H new ATOM 0 HA SER A 31 -12.549 -0.780 -6.469 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.376 -3.665 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.203 -2.876 -4.696 1.00 0.00 H new ATOM 0 HG SER A 31 -14.648 -3.437 -6.422 1.00 0.00 H new ATOM 411 N TYR A 32 -10.427 -1.226 -4.099 1.00 0.00 N ATOM 412 CA TYR A 32 -9.956 -0.743 -2.806 1.00 0.00 C ATOM 413 C TYR A 32 -8.779 0.214 -2.971 1.00 0.00 C ATOM 414 O TYR A 32 -8.210 0.337 -4.056 1.00 0.00 O ATOM 415 CB TYR A 32 -9.533 -1.922 -1.926 1.00 0.00 C ATOM 416 CG TYR A 32 -10.688 -2.657 -1.284 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.565 -3.416 -2.049 1.00 0.00 C ATOM 418 CD2 TYR A 32 -10.899 -2.594 0.087 1.00 0.00 C ATOM 419 CE1 TYR A 32 -12.619 -4.093 -1.466 1.00 0.00 C ATOM 420 CE2 TYR A 32 -11.949 -3.270 0.679 1.00 0.00 C ATOM 421 CZ TYR A 32 -12.807 -4.017 -0.101 1.00 0.00 C ATOM 422 OH TYR A 32 -13.856 -4.691 0.484 1.00 0.00 O ATOM 0 H TYR A 32 -9.737 -1.764 -4.623 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.777 -0.206 -2.331 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.959 -2.625 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.868 -1.557 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.420 -3.478 -3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.232 -2.007 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.292 -4.678 -2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.097 -3.214 1.747 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.847 -4.535 1.451 1.00 0.00 H new ATOM 432 N HIS A 33 -8.411 0.872 -1.879 1.00 0.00 N ATOM 433 CA HIS A 33 -7.288 1.802 -1.882 1.00 0.00 C ATOM 434 C HIS A 33 -6.145 1.221 -1.060 1.00 0.00 C ATOM 435 O HIS A 33 -6.128 1.342 0.162 1.00 0.00 O ATOM 436 CB HIS A 33 -7.712 3.156 -1.307 1.00 0.00 C ATOM 437 CG HIS A 33 -8.347 4.062 -2.312 1.00 0.00 C ATOM 438 ND1 HIS A 33 -9.671 3.960 -2.688 1.00 0.00 N ATOM 439 CD2 HIS A 33 -7.837 5.099 -3.019 1.00 0.00 C ATOM 440 CE1 HIS A 33 -9.946 4.893 -3.582 1.00 0.00 C ATOM 441 NE2 HIS A 33 -8.850 5.598 -3.800 1.00 0.00 N ATOM 0 H HIS A 33 -8.876 0.778 -0.976 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.956 1.953 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.411 2.990 -0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.838 3.652 -0.885 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.334 3.272 -2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.822 5.465 -2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.904 5.052 -4.054 1.00 0.00 H new ATOM 450 N MET A 34 -5.202 0.568 -1.731 1.00 0.00 N ATOM 451 CA MET A 34 -4.077 -0.052 -1.041 1.00 0.00 C ATOM 452 C MET A 34 -2.927 0.919 -0.847 1.00 0.00 C ATOM 453 O MET A 34 -2.896 1.997 -1.444 1.00 0.00 O ATOM 454 CB MET A 34 -3.602 -1.286 -1.801 1.00 0.00 C ATOM 455 CG MET A 34 -4.112 -2.581 -1.199 1.00 0.00 C ATOM 456 SD MET A 34 -2.985 -3.269 0.028 1.00 0.00 S ATOM 457 CE MET A 34 -2.544 -4.816 -0.755 1.00 0.00 C ATOM 0 H MET A 34 -5.194 0.455 -2.745 1.00 0.00 H new ATOM 0 HA MET A 34 -4.426 -0.352 -0.053 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.932 -1.218 -2.837 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.512 -1.301 -1.814 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.083 -2.404 -0.736 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.266 -3.311 -1.994 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.709 -5.269 -0.221 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.399 -5.492 -0.732 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.255 -4.631 -1.790 1.00 0.00 H new ATOM 467 N ALA A 35 -1.986 0.531 0.008 1.00 0.00 N ATOM 468 CA ALA A 35 -0.838 1.371 0.303 1.00 0.00 C ATOM 469 C ALA A 35 0.320 0.572 0.894 1.00 0.00 C ATOM 470 O ALA A 35 0.118 -0.483 1.500 1.00 0.00 O ATOM 471 CB ALA A 35 -1.250 2.468 1.267 1.00 0.00 C ATOM 0 H ALA A 35 -1.999 -0.359 0.506 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.491 1.805 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.390 3.099 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.037 3.073 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.620 2.021 2.190 1.00 0.00 H new ATOM 477 N TRP A 36 1.531 1.101 0.729 1.00 0.00 N ATOM 478 CA TRP A 36 2.728 0.467 1.261 1.00 0.00 C ATOM 479 C TRP A 36 3.218 1.218 2.491 1.00 0.00 C ATOM 480 O TRP A 36 3.025 2.432 2.604 1.00 0.00 O ATOM 481 CB TRP A 36 3.818 0.393 0.192 1.00 0.00 C ATOM 482 CG TRP A 36 3.666 -0.810 -0.688 1.00 0.00 C ATOM 483 CD1 TRP A 36 2.797 -0.952 -1.731 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.385 -2.045 -0.593 1.00 0.00 C ATOM 485 NE1 TRP A 36 2.926 -2.202 -2.287 1.00 0.00 N ATOM 486 CE2 TRP A 36 3.899 -2.890 -1.609 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.394 -2.518 0.251 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.387 -4.180 -1.802 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.878 -3.798 0.058 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.374 -4.616 -0.962 1.00 0.00 C ATOM 0 H TRP A 36 1.706 1.972 0.228 1.00 0.00 H new ATOM 0 HA TRP A 36 2.482 -0.552 1.558 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.787 1.295 -0.419 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.796 0.368 0.673 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.108 -0.192 -2.070 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.386 -2.560 -3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.788 -1.894 1.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.000 -4.813 -2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.658 -4.174 0.704 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.773 -5.612 -1.087 1.00 0.00 H new ATOM 501 N VAL A 37 3.818 0.471 3.418 1.00 0.00 N ATOM 502 CA VAL A 37 4.314 1.015 4.680 1.00 0.00 C ATOM 503 C VAL A 37 5.806 0.730 4.868 1.00 0.00 C ATOM 504 O VAL A 37 6.379 -0.102 4.165 1.00 0.00 O ATOM 505 CB VAL A 37 3.525 0.398 5.861 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.435 1.349 7.020 1.00 0.00 C ATOM 507 CG2 VAL A 37 2.135 -0.011 5.410 1.00 0.00 C ATOM 0 H VAL A 37 3.974 -0.532 3.313 1.00 0.00 H new ATOM 0 HA VAL A 37 4.172 2.095 4.655 1.00 0.00 H new ATOM 0 HB VAL A 37 4.067 -0.487 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.875 0.883 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.438 1.595 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.926 2.260 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.592 -0.443 6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.599 0.865 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.214 -0.749 4.611 1.00 0.00 H new ATOM 517 N ARG A 38 6.427 1.427 5.821 1.00 0.00 N ATOM 518 CA ARG A 38 7.851 1.247 6.104 1.00 0.00 C ATOM 519 C ARG A 38 8.191 1.701 7.523 1.00 0.00 C ATOM 520 O ARG A 38 7.713 2.738 7.984 1.00 0.00 O ATOM 521 CB ARG A 38 8.699 2.022 5.094 1.00 0.00 C ATOM 522 CG ARG A 38 10.191 1.963 5.383 1.00 0.00 C ATOM 523 CD ARG A 38 10.904 3.217 4.902 1.00 0.00 C ATOM 524 NE ARG A 38 10.270 4.433 5.404 1.00 0.00 N ATOM 525 CZ ARG A 38 10.424 5.629 4.845 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.176 5.767 3.761 1.00 0.00 N ATOM 527 NH2 ARG A 38 9.823 6.688 5.369 1.00 0.00 N ATOM 0 H ARG A 38 5.966 2.121 6.409 1.00 0.00 H new ATOM 0 HA ARG A 38 8.076 0.184 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.514 1.625 4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.379 3.064 5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.350 1.842 6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.622 1.089 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.944 3.190 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.911 3.235 3.812 1.00 0.00 H new ATOM 0 HE ARG A 38 9.676 4.360 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.638 4.954 3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.292 6.686 3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.242 6.585 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.941 7.606 4.940 1.00 0.00 H new ATOM 541 N GLN A 39 9.020 0.916 8.209 1.00 0.00 N ATOM 542 CA GLN A 39 9.427 1.231 9.577 1.00 0.00 C ATOM 543 C GLN A 39 10.944 1.234 9.713 1.00 0.00 C ATOM 544 O GLN A 39 11.591 0.194 9.582 1.00 0.00 O ATOM 545 CB GLN A 39 8.826 0.222 10.561 1.00 0.00 C ATOM 546 CG GLN A 39 9.507 0.205 11.923 1.00 0.00 C ATOM 547 CD GLN A 39 9.026 -0.933 12.801 1.00 0.00 C ATOM 548 OE1 GLN A 39 9.186 -2.105 12.462 1.00 0.00 O ATOM 549 NE2 GLN A 39 8.430 -0.592 13.938 1.00 0.00 N ATOM 0 H GLN A 39 9.424 0.056 7.839 1.00 0.00 H new ATOM 0 HA GLN A 39 9.055 2.228 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.769 0.449 10.698 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.884 -0.775 10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.585 0.122 11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.323 1.153 12.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.318 0.393 14.180 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.084 -1.315 14.569 1.00 0.00 H new ATOM 558 N ALA A 40 11.501 2.405 9.994 1.00 0.00 N ATOM 559 CA ALA A 40 12.939 2.544 10.170 1.00 0.00 C ATOM 560 C ALA A 40 13.359 2.014 11.541 1.00 0.00 C ATOM 561 O ALA A 40 12.515 1.832 12.419 1.00 0.00 O ATOM 562 CB ALA A 40 13.346 4.002 10.009 1.00 0.00 C ATOM 0 H ALA A 40 10.977 3.273 10.105 1.00 0.00 H new ATOM 0 HA ALA A 40 13.448 1.956 9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.424 4.096 10.142 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.072 4.348 9.012 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.834 4.607 10.757 1.00 0.00 H new ATOM 618 N LEU A 45 6.428 2.656 12.200 1.00 0.00 N ATOM 619 CA LEU A 45 5.820 2.401 10.895 1.00 0.00 C ATOM 620 C LEU A 45 5.281 3.682 10.276 1.00 0.00 C ATOM 621 O LEU A 45 4.857 4.601 10.978 1.00 0.00 O ATOM 622 CB LEU A 45 4.695 1.357 10.997 1.00 0.00 C ATOM 623 CG LEU A 45 4.621 0.321 9.856 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.930 0.234 9.092 1.00 0.00 C ATOM 625 CD2 LEU A 45 4.233 -1.040 10.416 1.00 0.00 C ATOM 0 HA LEU A 45 6.604 2.006 10.249 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.809 0.821 11.939 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.742 1.884 11.044 1.00 0.00 H new ATOM 0 HG LEU A 45 3.857 0.648 9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.839 -0.506 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.163 1.206 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.729 -0.061 9.772 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.183 -1.766 9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.979 -1.360 11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.259 -0.970 10.901 1.00 0.00 H new ATOM 637 N GLU A 46 5.298 3.728 8.952 1.00 0.00 N ATOM 638 CA GLU A 46 4.810 4.884 8.217 1.00 0.00 C ATOM 639 C GLU A 46 4.321 4.471 6.841 1.00 0.00 C ATOM 640 O GLU A 46 5.005 3.744 6.121 1.00 0.00 O ATOM 641 CB GLU A 46 5.913 5.939 8.065 1.00 0.00 C ATOM 642 CG GLU A 46 6.058 6.472 6.642 1.00 0.00 C ATOM 643 CD GLU A 46 6.561 7.901 6.601 1.00 0.00 C ATOM 644 OE1 GLU A 46 5.907 8.778 7.203 1.00 0.00 O ATOM 645 OE2 GLU A 46 7.606 8.145 5.963 1.00 0.00 O ATOM 0 H GLU A 46 5.647 2.973 8.362 1.00 0.00 H new ATOM 0 HA GLU A 46 3.982 5.313 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.702 6.772 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.863 5.507 8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.745 5.833 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.093 6.416 6.137 1.00 0.00 H new ATOM 652 N TRP A 47 3.162 4.972 6.460 1.00 0.00 N ATOM 653 CA TRP A 47 2.627 4.678 5.148 1.00 0.00 C ATOM 654 C TRP A 47 3.456 5.431 4.111 1.00 0.00 C ATOM 655 O TRP A 47 3.439 6.662 4.068 1.00 0.00 O ATOM 656 CB TRP A 47 1.153 5.082 5.060 1.00 0.00 C ATOM 657 CG TRP A 47 0.769 5.551 3.697 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.560 4.776 2.599 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.584 6.906 3.279 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.248 5.566 1.521 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.256 6.879 1.914 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.662 8.139 3.931 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.007 8.039 1.186 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.416 9.290 3.208 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.092 9.234 1.848 1.00 0.00 C ATOM 0 H TRP A 47 2.578 5.579 7.035 1.00 0.00 H new ATOM 0 HA TRP A 47 2.683 3.606 4.959 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.530 4.232 5.337 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.953 5.873 5.783 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.629 3.698 2.578 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.043 5.230 0.580 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.910 8.191 4.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.244 7.998 0.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.475 10.249 3.701 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.095 10.152 1.310 1.00 0.00 H new ATOM 676 N VAL A 48 4.208 4.699 3.302 1.00 0.00 N ATOM 677 CA VAL A 48 5.061 5.323 2.300 1.00 0.00 C ATOM 678 C VAL A 48 4.289 5.748 1.060 1.00 0.00 C ATOM 679 O VAL A 48 4.343 6.909 0.655 1.00 0.00 O ATOM 680 CB VAL A 48 6.208 4.399 1.850 1.00 0.00 C ATOM 681 CG1 VAL A 48 7.413 4.552 2.760 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.767 2.951 1.802 1.00 0.00 C ATOM 0 H VAL A 48 4.246 3.680 3.319 1.00 0.00 H new ATOM 0 HA VAL A 48 5.471 6.204 2.793 1.00 0.00 H new ATOM 0 HB VAL A 48 6.492 4.699 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.210 3.890 2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.762 5.584 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.133 4.292 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.601 2.327 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.440 2.637 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.942 2.845 1.097 1.00 0.00 H new ATOM 692 N SER A 49 3.607 4.801 0.431 1.00 0.00 N ATOM 693 CA SER A 49 2.877 5.109 -0.802 1.00 0.00 C ATOM 694 C SER A 49 1.441 4.595 -0.811 1.00 0.00 C ATOM 695 O SER A 49 1.108 3.620 -0.147 1.00 0.00 O ATOM 696 CB SER A 49 3.627 4.521 -1.996 1.00 0.00 C ATOM 697 OG SER A 49 5.021 4.464 -1.745 1.00 0.00 O ATOM 0 H SER A 49 3.541 3.832 0.741 1.00 0.00 H new ATOM 0 HA SER A 49 2.822 6.196 -0.865 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.251 3.520 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.438 5.127 -2.882 1.00 0.00 H new ATOM 0 HG SER A 49 5.476 5.156 -2.269 1.00 0.00 H new ATOM 703 N THR A 50 0.602 5.263 -1.605 1.00 0.00 N ATOM 704 CA THR A 50 -0.804 4.894 -1.761 1.00 0.00 C ATOM 705 C THR A 50 -1.199 5.018 -3.228 1.00 0.00 C ATOM 706 O THR A 50 -0.758 5.937 -3.917 1.00 0.00 O ATOM 707 CB THR A 50 -1.740 5.778 -0.901 1.00 0.00 C ATOM 708 OG1 THR A 50 -1.918 5.194 0.391 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.104 5.951 -1.556 1.00 0.00 C ATOM 0 H THR A 50 0.879 6.075 -2.157 1.00 0.00 H new ATOM 0 HA THR A 50 -0.916 3.865 -1.419 1.00 0.00 H new ATOM 0 HB THR A 50 -1.270 6.757 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.388 5.689 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.734 6.577 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.982 6.425 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.573 4.975 -1.683 1.00 0.00 H new ATOM 717 N ILE A 51 -2.021 4.093 -3.710 1.00 0.00 N ATOM 718 CA ILE A 51 -2.446 4.124 -5.103 1.00 0.00 C ATOM 719 C ILE A 51 -3.956 4.305 -5.227 1.00 0.00 C ATOM 720 O ILE A 51 -4.729 3.732 -4.459 1.00 0.00 O ATOM 721 CB ILE A 51 -2.012 2.848 -5.850 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.371 2.949 -7.332 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.649 1.616 -5.224 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.178 2.801 -8.251 1.00 0.00 C ATOM 0 H ILE A 51 -2.402 3.321 -3.164 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.957 4.983 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.930 2.750 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.104 2.180 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.846 3.912 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.330 0.726 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.340 1.536 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.734 1.702 -5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.505 2.883 -9.288 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.453 3.586 -8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.715 1.827 -8.092 1.00 0.00 H new ATOM 736 N ASN A 52 -4.365 5.112 -6.205 1.00 0.00 N ATOM 737 CA ASN A 52 -5.779 5.381 -6.443 1.00 0.00 C ATOM 738 C ASN A 52 -6.240 4.726 -7.743 1.00 0.00 C ATOM 739 O ASN A 52 -5.615 4.902 -8.789 1.00 0.00 O ATOM 740 CB ASN A 52 -6.030 6.890 -6.499 1.00 0.00 C ATOM 741 CG ASN A 52 -7.412 7.230 -7.027 1.00 0.00 C ATOM 742 OD1 ASN A 52 -7.641 7.248 -8.236 1.00 0.00 O ATOM 743 ND2 ASN A 52 -8.342 7.504 -6.118 1.00 0.00 N ATOM 0 H ASN A 52 -3.733 5.592 -6.846 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.352 4.957 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.912 7.312 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.277 7.357 -7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.289 7.741 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.109 7.477 -5.125 1.00 0.00 H new ATOM 750 N PRO A 53 -7.343 3.957 -7.696 1.00 0.00 N ATOM 751 CA PRO A 53 -7.878 3.273 -8.875 1.00 0.00 C ATOM 752 C PRO A 53 -8.656 4.209 -9.794 1.00 0.00 C ATOM 753 O PRO A 53 -9.202 5.220 -9.351 1.00 0.00 O ATOM 754 CB PRO A 53 -8.807 2.224 -8.272 1.00 0.00 C ATOM 755 CG PRO A 53 -9.284 2.832 -6.999 1.00 0.00 C ATOM 756 CD PRO A 53 -8.151 3.685 -6.488 1.00 0.00 C ATOM 0 HA PRO A 53 -7.087 2.861 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.638 2.000 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.282 1.286 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.178 3.432 -7.166 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.548 2.061 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.517 4.607 -6.035 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.570 3.164 -5.727 1.00 0.00 H new ATOM 764 N GLY A 54 -8.703 3.862 -11.078 1.00 0.00 N ATOM 765 CA GLY A 54 -9.418 4.675 -12.044 1.00 0.00 C ATOM 766 C GLY A 54 -8.551 5.759 -12.653 1.00 0.00 C ATOM 767 O GLY A 54 -7.867 5.527 -13.650 1.00 0.00 O ATOM 0 H GLY A 54 -8.257 3.031 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.803 4.035 -12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.280 5.134 -11.559 1.00 0.00 H new ATOM 771 N ASP A 55 -8.584 6.946 -12.054 1.00 0.00 N ATOM 772 CA ASP A 55 -7.799 8.075 -12.544 1.00 0.00 C ATOM 773 C ASP A 55 -6.314 7.730 -12.597 1.00 0.00 C ATOM 774 O ASP A 55 -5.629 8.044 -13.571 1.00 0.00 O ATOM 775 CB ASP A 55 -8.015 9.298 -11.650 1.00 0.00 C ATOM 776 CG ASP A 55 -8.777 10.404 -12.354 1.00 0.00 C ATOM 777 OD1 ASP A 55 -9.649 10.086 -13.191 1.00 0.00 O ATOM 778 OD2 ASP A 55 -8.503 11.589 -12.068 1.00 0.00 O ATOM 0 H ASP A 55 -9.146 7.151 -11.228 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.136 8.304 -13.555 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.560 8.998 -10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.048 9.679 -11.321 1.00 0.00 H new ATOM 783 N GLY A 56 -5.822 7.089 -11.542 1.00 0.00 N ATOM 784 CA GLY A 56 -4.421 6.718 -11.488 1.00 0.00 C ATOM 785 C GLY A 56 -3.632 7.605 -10.548 1.00 0.00 C ATOM 786 O GLY A 56 -2.411 7.485 -10.450 1.00 0.00 O ATOM 0 H GLY A 56 -6.369 6.820 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.333 5.680 -11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.992 6.778 -12.488 1.00 0.00 H new ATOM 790 N SER A 57 -4.334 8.499 -9.856 1.00 0.00 N ATOM 791 CA SER A 57 -3.696 9.413 -8.916 1.00 0.00 C ATOM 792 C SER A 57 -2.896 8.643 -7.872 1.00 0.00 C ATOM 793 O SER A 57 -3.139 7.458 -7.642 1.00 0.00 O ATOM 794 CB SER A 57 -4.745 10.287 -8.228 1.00 0.00 C ATOM 795 OG SER A 57 -4.637 11.638 -8.644 1.00 0.00 O ATOM 0 H SER A 57 -5.345 8.609 -9.930 1.00 0.00 H new ATOM 0 HA SER A 57 -3.013 10.052 -9.475 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.742 9.912 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.622 10.225 -7.147 1.00 0.00 H new ATOM 0 HG SER A 57 -5.320 12.175 -8.191 1.00 0.00 H new ATOM 801 N THR A 58 -1.939 9.318 -7.248 1.00 0.00 N ATOM 802 CA THR A 58 -1.105 8.684 -6.236 1.00 0.00 C ATOM 803 C THR A 58 -0.756 9.652 -5.113 1.00 0.00 C ATOM 804 O THR A 58 -0.508 10.834 -5.350 1.00 0.00 O ATOM 805 CB THR A 58 0.195 8.137 -6.848 1.00 0.00 C ATOM 806 OG1 THR A 58 0.440 8.758 -8.116 1.00 0.00 O ATOM 807 CG2 THR A 58 0.120 6.629 -7.023 1.00 0.00 C ATOM 0 H THR A 58 -1.722 10.299 -7.424 1.00 0.00 H new ATOM 0 HA THR A 58 -1.685 7.858 -5.825 1.00 0.00 H new ATOM 0 HB THR A 58 1.014 8.367 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.271 8.405 -8.498 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.052 6.266 -7.458 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.036 6.157 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.710 6.380 -7.684 1.00 0.00 H new ATOM 815 N TYR A 59 -0.730 9.134 -3.890 1.00 0.00 N ATOM 816 CA TYR A 59 -0.403 9.940 -2.721 1.00 0.00 C ATOM 817 C TYR A 59 0.718 9.282 -1.926 1.00 0.00 C ATOM 818 O TYR A 59 0.719 8.067 -1.728 1.00 0.00 O ATOM 819 CB TYR A 59 -1.638 10.126 -1.836 1.00 0.00 C ATOM 820 CG TYR A 59 -2.923 10.297 -2.614 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.354 11.556 -3.014 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.706 9.199 -2.949 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.528 11.716 -3.726 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.881 9.351 -3.660 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.288 10.610 -4.046 1.00 0.00 C ATOM 826 OH TYR A 59 -6.457 10.766 -4.755 1.00 0.00 O ATOM 0 H TYR A 59 -0.932 8.156 -3.683 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.067 10.920 -3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.735 9.263 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.490 10.999 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.762 12.424 -2.764 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.391 8.211 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.849 12.701 -4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.478 8.487 -3.912 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.872 9.890 -4.899 1.00 0.00 H new ATOM 836 N TYR A 60 1.678 10.086 -1.481 1.00 0.00 N ATOM 837 CA TYR A 60 2.811 9.576 -0.718 1.00 0.00 C ATOM 838 C TYR A 60 2.974 10.336 0.594 1.00 0.00 C ATOM 839 O TYR A 60 2.303 11.341 0.828 1.00 0.00 O ATOM 840 CB TYR A 60 4.097 9.692 -1.541 1.00 0.00 C ATOM 841 CG TYR A 60 4.206 8.688 -2.667 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.302 8.693 -3.722 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.220 7.738 -2.679 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.404 7.781 -4.754 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.327 6.823 -3.707 1.00 0.00 C ATOM 846 CZ TYR A 60 4.418 6.850 -4.742 1.00 0.00 C ATOM 847 OH TYR A 60 4.524 5.942 -5.770 1.00 0.00 O ATOM 0 H TYR A 60 1.694 11.094 -1.636 1.00 0.00 H new ATOM 0 HA TYR A 60 2.618 8.528 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.158 10.697 -1.958 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.952 9.570 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.506 9.423 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.936 7.715 -1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.692 7.798 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.120 6.089 -3.700 1.00 0.00 H new ATOM 0 HH TYR A 60 4.805 6.404 -6.587 1.00 0.00 H new ATOM 857 N ALA A 61 3.879 9.853 1.441 1.00 0.00 N ATOM 858 CA ALA A 61 4.142 10.491 2.727 1.00 0.00 C ATOM 859 C ALA A 61 4.966 11.765 2.547 1.00 0.00 C ATOM 860 O ALA A 61 5.545 12.276 3.506 1.00 0.00 O ATOM 861 CB ALA A 61 4.857 9.525 3.662 1.00 0.00 C ATOM 0 H ALA A 61 4.442 9.022 1.260 1.00 0.00 H new ATOM 0 HA ALA A 61 3.185 10.765 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.046 10.016 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.233 8.646 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.804 9.221 3.216 1.00 0.00 H new ATOM 867 N ASP A 62 5.003 12.267 1.307 1.00 0.00 N ATOM 868 CA ASP A 62 5.742 13.484 0.965 1.00 0.00 C ATOM 869 C ASP A 62 7.244 13.224 0.875 1.00 0.00 C ATOM 870 O ASP A 62 7.884 13.584 -0.114 1.00 0.00 O ATOM 871 CB ASP A 62 5.459 14.599 1.975 1.00 0.00 C ATOM 872 CG ASP A 62 4.621 15.717 1.385 1.00 0.00 C ATOM 873 OD1 ASP A 62 4.560 15.823 0.141 1.00 0.00 O ATOM 874 OD2 ASP A 62 4.023 16.486 2.167 1.00 0.00 O ATOM 0 H ASP A 62 4.522 11.841 0.515 1.00 0.00 H new ATOM 0 HA ASP A 62 5.396 13.805 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.944 14.180 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.403 15.008 2.334 1.00 0.00 H new ATOM 879 N SER A 63 7.807 12.604 1.908 1.00 0.00 N ATOM 880 CA SER A 63 9.235 12.309 1.934 1.00 0.00 C ATOM 881 C SER A 63 9.544 11.013 1.191 1.00 0.00 C ATOM 882 O SER A 63 10.635 10.458 1.324 1.00 0.00 O ATOM 883 CB SER A 63 9.734 12.210 3.376 1.00 0.00 C ATOM 884 OG SER A 63 10.116 13.480 3.873 1.00 0.00 O ATOM 0 H SER A 63 7.297 12.297 2.736 1.00 0.00 H new ATOM 0 HA SER A 63 9.752 13.126 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.951 11.790 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.582 11.527 3.424 1.00 0.00 H new ATOM 0 HG SER A 63 10.429 13.389 4.797 1.00 0.00 H new ATOM 890 N VAL A 64 8.581 10.534 0.411 1.00 0.00 N ATOM 891 CA VAL A 64 8.761 9.302 -0.347 1.00 0.00 C ATOM 892 C VAL A 64 8.156 9.408 -1.744 1.00 0.00 C ATOM 893 O VAL A 64 8.204 8.454 -2.520 1.00 0.00 O ATOM 894 CB VAL A 64 8.133 8.097 0.378 1.00 0.00 C ATOM 895 CG1 VAL A 64 9.063 7.575 1.462 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.782 8.472 0.965 1.00 0.00 C ATOM 0 H VAL A 64 7.671 10.978 0.287 1.00 0.00 H new ATOM 0 HA VAL A 64 9.837 9.149 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 64 7.982 7.301 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.599 6.724 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.006 7.263 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.252 8.364 2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.354 7.608 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.909 9.287 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.114 8.791 0.165 1.00 0.00 H new ATOM 906 N LYS A 65 7.590 10.571 -2.061 1.00 0.00 N ATOM 907 CA LYS A 65 6.981 10.790 -3.370 1.00 0.00 C ATOM 908 C LYS A 65 7.965 10.448 -4.484 1.00 0.00 C ATOM 909 O LYS A 65 7.655 9.665 -5.381 1.00 0.00 O ATOM 910 CB LYS A 65 6.510 12.239 -3.513 1.00 0.00 C ATOM 911 CG LYS A 65 5.542 12.452 -4.667 1.00 0.00 C ATOM 912 CD LYS A 65 4.159 11.908 -4.343 1.00 0.00 C ATOM 913 CE LYS A 65 3.164 13.029 -4.091 1.00 0.00 C ATOM 914 NZ LYS A 65 2.695 13.650 -5.361 1.00 0.00 N ATOM 0 H LYS A 65 7.541 11.372 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 65 6.115 10.133 -3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.030 12.550 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.378 12.883 -3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.472 13.516 -4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.927 11.961 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.809 11.288 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.216 11.266 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.308 12.638 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.626 13.791 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.018 14.410 -5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.508 14.045 -5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.231 12.929 -5.949 1.00 0.00 H new ATOM 928 N GLY A 66 9.157 11.031 -4.410 1.00 0.00 N ATOM 929 CA GLY A 66 10.177 10.765 -5.408 1.00 0.00 C ATOM 930 C GLY A 66 11.187 9.747 -4.921 1.00 0.00 C ATOM 931 O GLY A 66 12.343 9.752 -5.344 1.00 0.00 O ATOM 0 H GLY A 66 9.435 11.683 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.706 10.402 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.689 11.693 -5.661 1.00 0.00 H new ATOM 935 N ARG A 67 10.743 8.877 -4.020 1.00 0.00 N ATOM 936 CA ARG A 67 11.603 7.844 -3.451 1.00 0.00 C ATOM 937 C ARG A 67 11.180 6.461 -3.920 1.00 0.00 C ATOM 938 O ARG A 67 11.976 5.709 -4.483 1.00 0.00 O ATOM 939 CB ARG A 67 11.538 7.893 -1.926 1.00 0.00 C ATOM 940 CG ARG A 67 12.896 7.864 -1.253 1.00 0.00 C ATOM 941 CD ARG A 67 13.175 9.173 -0.540 1.00 0.00 C ATOM 942 NE ARG A 67 13.497 8.974 0.871 1.00 0.00 N ATOM 943 CZ ARG A 67 13.688 9.970 1.729 1.00 0.00 C ATOM 944 NH1 ARG A 67 13.596 11.230 1.324 1.00 0.00 N ATOM 945 NH2 ARG A 67 13.972 9.707 2.997 1.00 0.00 N ATOM 0 H ARG A 67 9.786 8.867 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 67 12.622 8.034 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.012 8.799 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.949 7.048 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.935 7.041 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.671 7.678 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.003 9.683 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.305 9.824 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 67 13.580 8.018 1.216 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.378 11.438 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.744 11.991 1.987 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.044 8.740 3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.119 10.472 3.656 1.00 0.00 H new ATOM 959 N PHE A 68 9.925 6.129 -3.658 1.00 0.00 N ATOM 960 CA PHE A 68 9.384 4.830 -4.022 1.00 0.00 C ATOM 961 C PHE A 68 8.260 4.958 -5.039 1.00 0.00 C ATOM 962 O PHE A 68 7.714 6.042 -5.247 1.00 0.00 O ATOM 963 CB PHE A 68 8.861 4.128 -2.772 1.00 0.00 C ATOM 964 CG PHE A 68 9.921 3.860 -1.748 1.00 0.00 C ATOM 965 CD1 PHE A 68 10.767 2.775 -1.880 1.00 0.00 C ATOM 966 CD2 PHE A 68 10.070 4.695 -0.654 1.00 0.00 C ATOM 967 CE1 PHE A 68 11.744 2.525 -0.940 1.00 0.00 C ATOM 968 CE2 PHE A 68 11.046 4.450 0.291 1.00 0.00 C ATOM 969 CZ PHE A 68 11.884 3.363 0.145 1.00 0.00 C ATOM 0 H PHE A 68 9.259 6.746 -3.192 1.00 0.00 H new ATOM 0 HA PHE A 68 10.185 4.245 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.079 4.740 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.400 3.184 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.662 2.116 -2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.416 5.547 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.399 1.674 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.154 5.107 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.650 3.169 0.881 1.00 0.00 H new ATOM 979 N THR A 69 7.910 3.837 -5.656 1.00 0.00 N ATOM 980 CA THR A 69 6.838 3.804 -6.639 1.00 0.00 C ATOM 981 C THR A 69 5.822 2.734 -6.275 1.00 0.00 C ATOM 982 O THR A 69 6.170 1.574 -6.080 1.00 0.00 O ATOM 983 CB THR A 69 7.373 3.539 -8.063 1.00 0.00 C ATOM 984 OG1 THR A 69 8.058 4.698 -8.551 1.00 0.00 O ATOM 985 CG2 THR A 69 6.241 3.174 -9.018 1.00 0.00 C ATOM 0 H THR A 69 8.356 2.935 -5.491 1.00 0.00 H new ATOM 0 HA THR A 69 6.361 4.784 -6.631 1.00 0.00 H new ATOM 0 HB THR A 69 8.065 2.698 -8.012 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.396 4.522 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.648 2.993 -10.013 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.740 2.274 -8.662 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.524 3.994 -9.063 1.00 0.00 H new ATOM 993 N ILE A 70 4.566 3.134 -6.182 1.00 0.00 N ATOM 994 CA ILE A 70 3.500 2.210 -5.838 1.00 0.00 C ATOM 995 C ILE A 70 2.698 1.828 -7.083 1.00 0.00 C ATOM 996 O ILE A 70 2.305 2.685 -7.875 1.00 0.00 O ATOM 997 CB ILE A 70 2.570 2.810 -4.757 1.00 0.00 C ATOM 998 CG1 ILE A 70 1.912 1.694 -3.938 1.00 0.00 C ATOM 999 CG2 ILE A 70 1.524 3.729 -5.381 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.723 2.151 -3.121 1.00 0.00 C ATOM 0 H ILE A 70 4.259 4.094 -6.340 1.00 0.00 H new ATOM 0 HA ILE A 70 3.956 1.309 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 70 3.175 3.415 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.592 0.901 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.656 1.262 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.884 4.136 -4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.022 4.545 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.917 3.163 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.313 1.304 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.039 2.922 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.041 2.556 -3.785 1.00 0.00 H new ATOM 1012 N SER A 71 2.485 0.529 -7.259 1.00 0.00 N ATOM 1013 CA SER A 71 1.756 0.021 -8.415 1.00 0.00 C ATOM 1014 C SER A 71 1.130 -1.331 -8.107 1.00 0.00 C ATOM 1015 O SER A 71 1.463 -1.967 -7.108 1.00 0.00 O ATOM 1016 CB SER A 71 2.687 -0.099 -9.622 1.00 0.00 C ATOM 1017 OG SER A 71 4.030 -0.293 -9.214 1.00 0.00 O ATOM 0 H SER A 71 2.808 -0.193 -6.614 1.00 0.00 H new ATOM 0 HA SER A 71 0.960 0.727 -8.650 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.370 -0.933 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.615 0.802 -10.231 1.00 0.00 H new ATOM 0 HG SER A 71 4.049 -0.842 -8.403 1.00 0.00 H new ATOM 1023 N ARG A 72 0.215 -1.760 -8.966 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.466 -3.037 -8.781 1.00 0.00 C ATOM 1025 C ARG A 72 -1.096 -3.519 -10.084 1.00 0.00 C ATOM 1026 O ARG A 72 -1.396 -2.720 -10.973 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.540 -2.905 -7.702 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.460 -1.711 -7.901 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.418 -1.545 -6.734 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.491 -0.601 -7.039 1.00 0.00 N ATOM 1031 CZ ARG A 72 -5.427 -0.237 -6.167 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -5.422 -0.730 -4.935 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -6.370 0.625 -6.526 1.00 0.00 N ATOM 0 H ARG A 72 -0.073 -1.244 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 72 0.274 -3.773 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.139 -3.815 -7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.057 -2.822 -6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.863 -0.806 -8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.027 -1.837 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.848 -2.513 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.868 -1.199 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.524 -0.198 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.698 -1.391 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.142 -0.448 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.377 1.009 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.088 0.904 -5.857 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.299 -4.829 -10.188 1.00 0.00 N ATOM 1048 CA ASP A 73 -1.899 -5.418 -11.380 1.00 0.00 C ATOM 1049 C ASP A 73 -3.376 -5.716 -11.148 1.00 0.00 C ATOM 1050 O ASP A 73 -3.742 -6.364 -10.168 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.164 -6.703 -11.766 1.00 0.00 C ATOM 1052 CG ASP A 73 -1.677 -7.295 -13.065 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -2.121 -6.520 -13.938 1.00 0.00 O ATOM 1054 OD2 ASP A 73 -1.634 -8.536 -13.208 1.00 0.00 O ATOM 0 H ASP A 73 -1.057 -5.502 -9.461 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.811 -4.700 -12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.098 -6.494 -11.861 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.275 -7.436 -10.967 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.220 -5.234 -12.055 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.659 -5.447 -11.949 1.00 0.00 C ATOM 1061 C ASN A 74 -5.991 -6.935 -11.959 1.00 0.00 C ATOM 1062 O ASN A 74 -5.263 -7.740 -12.539 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.389 -4.742 -13.094 1.00 0.00 C ATOM 1064 CG ASN A 74 -6.257 -3.233 -13.023 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -6.157 -2.655 -11.941 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -6.258 -2.585 -14.182 1.00 0.00 N ATOM 0 H ASN A 74 -3.932 -4.694 -12.871 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.993 -5.024 -11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.991 -5.094 -14.046 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.444 -5.013 -13.070 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.174 -1.569 -14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.343 -3.104 -15.056 1.00 0.00 H new ATOM 1073 N ALA A 75 -7.096 -7.291 -11.307 1.00 0.00 N ATOM 1074 CA ALA A 75 -7.534 -8.681 -11.232 1.00 0.00 C ATOM 1075 C ALA A 75 -6.460 -9.565 -10.603 1.00 0.00 C ATOM 1076 O ALA A 75 -6.479 -10.787 -10.758 1.00 0.00 O ATOM 1077 CB ALA A 75 -7.905 -9.197 -12.614 1.00 0.00 C ATOM 0 H ALA A 75 -7.706 -6.633 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.417 -8.721 -10.595 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.229 -10.235 -12.540 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.714 -8.592 -13.023 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.037 -9.134 -13.271 1.00 0.00 H new ATOM 1083 N LYS A 76 -5.527 -8.939 -9.891 1.00 0.00 N ATOM 1084 CA LYS A 76 -4.446 -9.667 -9.236 1.00 0.00 C ATOM 1085 C LYS A 76 -4.190 -9.109 -7.838 1.00 0.00 C ATOM 1086 O LYS A 76 -3.841 -7.940 -7.681 1.00 0.00 O ATOM 1087 CB LYS A 76 -3.168 -9.590 -10.074 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.326 -10.853 -10.015 1.00 0.00 C ATOM 1089 CD LYS A 76 -0.937 -10.626 -10.589 1.00 0.00 C ATOM 1090 CE LYS A 76 -0.225 -11.941 -10.866 1.00 0.00 C ATOM 1091 NZ LYS A 76 -0.244 -12.289 -12.314 1.00 0.00 N ATOM 0 H LYS A 76 -5.498 -7.929 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.745 -10.711 -9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.435 -9.389 -11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.568 -8.747 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.243 -11.188 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.824 -11.649 -10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.013 -10.051 -11.512 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.347 -10.032 -9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.807 -11.874 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.700 -12.738 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.251 -13.192 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.229 -12.378 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.232 -11.541 -12.857 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.374 -9.954 -6.827 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.170 -9.548 -5.439 1.00 0.00 C ATOM 1107 C ASN A 77 -2.686 -9.519 -5.086 1.00 0.00 C ATOM 1108 O ASN A 77 -2.207 -10.358 -4.320 1.00 0.00 O ATOM 1109 CB ASN A 77 -4.905 -10.505 -4.496 1.00 0.00 C ATOM 1110 CG ASN A 77 -5.645 -9.789 -3.379 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -5.444 -8.479 -3.267 1.00 0.00 O flip ATOM 1112 ND2 ASN A 77 -6.388 -10.410 -2.620 1.00 0.00 N flip ATOM 0 H ASN A 77 -4.664 -10.925 -6.943 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.572 -8.542 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.615 -11.099 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.187 -11.200 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.515 -11.415 -2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -6.877 -9.920 -1.871 1.00 0.00 H new ATOM 1119 N THR A 78 -1.958 -8.556 -5.642 1.00 0.00 N ATOM 1120 CA THR A 78 -0.528 -8.438 -5.370 1.00 0.00 C ATOM 1121 C THR A 78 -0.016 -7.017 -5.595 1.00 0.00 C ATOM 1122 O THR A 78 -0.075 -6.488 -6.705 1.00 0.00 O ATOM 1123 CB THR A 78 0.290 -9.417 -6.231 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.437 -10.638 -6.415 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.633 -9.716 -5.580 1.00 0.00 C ATOM 0 H THR A 78 -2.330 -7.851 -6.279 1.00 0.00 H new ATOM 0 HA THR A 78 -0.396 -8.690 -4.318 1.00 0.00 H new ATOM 0 HB THR A 78 0.467 -8.951 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.091 -11.253 -6.965 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.194 -10.410 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.197 -8.790 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.470 -10.162 -4.599 1.00 0.00 H new ATOM 1133 N LEU A 79 0.495 -6.412 -4.524 1.00 0.00 N ATOM 1134 CA LEU A 79 1.030 -5.054 -4.570 1.00 0.00 C ATOM 1135 C LEU A 79 2.489 -5.064 -5.009 1.00 0.00 C ATOM 1136 O LEU A 79 3.245 -5.966 -4.654 1.00 0.00 O ATOM 1137 CB LEU A 79 0.917 -4.392 -3.190 1.00 0.00 C ATOM 1138 CG LEU A 79 -0.008 -3.172 -3.113 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.056 -2.621 -1.697 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.424 -2.090 -4.090 1.00 0.00 C ATOM 0 H LEU A 79 0.549 -6.848 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 79 0.447 -4.485 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.565 -5.138 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.914 -4.090 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.010 -3.498 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.718 -1.756 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.430 -3.389 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.946 -2.322 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.252 -1.238 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.439 -1.771 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.394 -2.484 -5.106 1.00 0.00 H new ATOM 1152 N TYR A 80 2.881 -4.057 -5.781 1.00 0.00 N ATOM 1153 CA TYR A 80 4.251 -3.957 -6.261 1.00 0.00 C ATOM 1154 C TYR A 80 4.797 -2.556 -6.067 1.00 0.00 C ATOM 1155 O TYR A 80 4.164 -1.571 -6.446 1.00 0.00 O ATOM 1156 CB TYR A 80 4.333 -4.335 -7.736 1.00 0.00 C ATOM 1157 CG TYR A 80 3.996 -5.777 -7.994 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.678 -6.200 -8.007 1.00 0.00 C ATOM 1159 CD2 TYR A 80 4.994 -6.714 -8.213 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.357 -7.519 -8.233 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.684 -8.039 -8.442 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.363 -8.439 -8.452 1.00 0.00 C ATOM 1163 OH TYR A 80 3.048 -9.759 -8.679 1.00 0.00 O ATOM 0 H TYR A 80 2.269 -3.300 -6.087 1.00 0.00 H new ATOM 0 HA TYR A 80 4.855 -4.652 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.653 -3.702 -8.306 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.340 -4.132 -8.102 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.888 -5.483 -7.837 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.028 -6.403 -8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.324 -7.833 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.471 -8.759 -8.612 1.00 0.00 H new ATOM 0 HH TYR A 80 3.871 -10.273 -8.815 1.00 0.00 H new ATOM 1173 N LEU A 81 5.982 -2.475 -5.485 1.00 0.00 N ATOM 1174 CA LEU A 81 6.621 -1.196 -5.252 1.00 0.00 C ATOM 1175 C LEU A 81 8.028 -1.190 -5.822 1.00 0.00 C ATOM 1176 O LEU A 81 8.781 -2.149 -5.655 1.00 0.00 O ATOM 1177 CB LEU A 81 6.672 -0.871 -3.759 1.00 0.00 C ATOM 1178 CG LEU A 81 7.162 0.542 -3.433 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.388 1.136 -2.270 1.00 0.00 C ATOM 1180 CD2 LEU A 81 8.647 0.536 -3.127 1.00 0.00 C ATOM 0 H LEU A 81 6.519 -3.281 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 81 6.027 -0.433 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.676 -1.003 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.325 -1.591 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 81 6.988 1.165 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.758 2.140 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.329 1.185 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.520 0.510 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.975 1.550 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.839 -0.110 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.195 0.164 -3.992 1.00 0.00 H new ATOM 1192 N GLN A 82 8.380 -0.097 -6.478 1.00 0.00 N ATOM 1193 CA GLN A 82 9.701 0.045 -7.053 1.00 0.00 C ATOM 1194 C GLN A 82 10.533 0.969 -6.182 1.00 0.00 C ATOM 1195 O GLN A 82 10.332 2.184 -6.179 1.00 0.00 O ATOM 1196 CB GLN A 82 9.611 0.597 -8.476 1.00 0.00 C ATOM 1197 CG GLN A 82 10.836 0.296 -9.326 1.00 0.00 C ATOM 1198 CD GLN A 82 10.935 -1.168 -9.708 1.00 0.00 C ATOM 1199 OE1 GLN A 82 9.923 -1.853 -9.856 1.00 0.00 O ATOM 1200 NE2 GLN A 82 12.160 -1.655 -9.871 1.00 0.00 N ATOM 0 H GLN A 82 7.766 0.704 -6.624 1.00 0.00 H new ATOM 0 HA GLN A 82 10.177 -0.935 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.730 0.180 -8.963 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.468 1.677 -8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.804 0.902 -10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.733 0.587 -8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.971 -1.051 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.290 -2.633 -10.129 1.00 0.00 H new ATOM 1209 N MET A 83 11.453 0.383 -5.427 1.00 0.00 N ATOM 1210 CA MET A 83 12.300 1.160 -4.536 1.00 0.00 C ATOM 1211 C MET A 83 13.483 1.745 -5.292 1.00 0.00 C ATOM 1212 O MET A 83 14.456 1.050 -5.585 1.00 0.00 O ATOM 1213 CB MET A 83 12.804 0.302 -3.375 1.00 0.00 C ATOM 1214 CG MET A 83 12.002 -0.968 -3.151 1.00 0.00 C ATOM 1215 SD MET A 83 12.659 -1.961 -1.798 1.00 0.00 S ATOM 1216 CE MET A 83 11.773 -1.262 -0.409 1.00 0.00 C ATOM 0 H MET A 83 11.630 -0.621 -5.414 1.00 0.00 H new ATOM 0 HA MET A 83 11.698 1.975 -4.134 1.00 0.00 H new ATOM 0 HB2 MET A 83 13.844 0.034 -3.559 1.00 0.00 H new ATOM 0 HB3 MET A 83 12.785 0.897 -2.462 1.00 0.00 H new ATOM 0 HG2 MET A 83 10.965 -0.708 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.000 -1.560 -4.066 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.481 -0.982 0.371 1.00 0.00 H new ATOM 0 HE2 MET A 83 11.224 -0.378 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 83 11.073 -1.999 -0.016 1.00 0.00 H new ATOM 1226 N ASN A 84 13.385 3.031 -5.604 1.00 0.00 N ATOM 1227 CA ASN A 84 14.444 3.727 -6.328 1.00 0.00 C ATOM 1228 C ASN A 84 15.134 4.746 -5.430 1.00 0.00 C ATOM 1229 O ASN A 84 14.592 5.142 -4.397 1.00 0.00 O ATOM 1230 CB ASN A 84 13.877 4.422 -7.569 1.00 0.00 C ATOM 1231 CG ASN A 84 12.362 4.383 -7.613 1.00 0.00 C ATOM 1232 OD1 ASN A 84 11.691 5.293 -7.125 1.00 0.00 O ATOM 1233 ND2 ASN A 84 11.814 3.326 -8.201 1.00 0.00 N ATOM 0 H ASN A 84 12.583 3.615 -5.367 1.00 0.00 H new ATOM 0 HA ASN A 84 15.180 2.987 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.211 5.459 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.276 3.944 -8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.799 3.245 -8.262 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.408 2.595 -8.592 1.00 0.00 H new ATOM 1240 N SER A 85 16.332 5.168 -5.828 1.00 0.00 N ATOM 1241 CA SER A 85 17.096 6.141 -5.057 1.00 0.00 C ATOM 1242 C SER A 85 17.247 5.684 -3.610 1.00 0.00 C ATOM 1243 O SER A 85 17.087 6.473 -2.677 1.00 0.00 O ATOM 1244 CB SER A 85 16.414 7.510 -5.106 1.00 0.00 C ATOM 1245 OG SER A 85 17.135 8.410 -5.931 1.00 0.00 O ATOM 0 H SER A 85 16.793 4.850 -6.680 1.00 0.00 H new ATOM 0 HA SER A 85 18.089 6.224 -5.499 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.398 7.400 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.337 7.918 -4.098 1.00 0.00 H new ATOM 0 HG SER A 85 16.678 9.277 -5.947 1.00 0.00 H new ATOM 1251 N LEU A 86 17.552 4.404 -3.432 1.00 0.00 N ATOM 1252 CA LEU A 86 17.720 3.837 -2.101 1.00 0.00 C ATOM 1253 C LEU A 86 18.853 4.523 -1.351 1.00 0.00 C ATOM 1254 O LEU A 86 19.947 4.707 -1.882 1.00 0.00 O ATOM 1255 CB LEU A 86 17.990 2.336 -2.191 1.00 0.00 C ATOM 1256 CG LEU A 86 16.838 1.510 -2.758 1.00 0.00 C ATOM 1257 CD1 LEU A 86 17.172 1.033 -4.161 1.00 0.00 C ATOM 1258 CD2 LEU A 86 16.527 0.332 -1.847 1.00 0.00 C ATOM 0 H LEU A 86 17.688 3.739 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 86 16.794 4.001 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.872 2.177 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.229 1.964 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 86 15.951 2.141 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 86 16.342 0.445 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 86 17.344 1.894 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.071 0.417 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 15.703 -0.245 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.408 -0.303 -1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.246 0.700 -0.860 1.00 0.00 H new ATOM 1270 N LYS A 87 18.576 4.896 -0.110 1.00 0.00 N ATOM 1271 CA LYS A 87 19.558 5.562 0.734 1.00 0.00 C ATOM 1272 C LYS A 87 19.600 4.912 2.111 1.00 0.00 C ATOM 1273 O LYS A 87 19.054 3.826 2.309 1.00 0.00 O ATOM 1274 CB LYS A 87 19.214 7.047 0.866 1.00 0.00 C ATOM 1275 CG LYS A 87 17.824 7.298 1.428 1.00 0.00 C ATOM 1276 CD LYS A 87 17.451 8.770 1.358 1.00 0.00 C ATOM 1277 CE LYS A 87 16.921 9.145 -0.017 1.00 0.00 C ATOM 1278 NZ LYS A 87 16.645 10.604 -0.128 1.00 0.00 N ATOM 0 H LYS A 87 17.672 4.747 0.338 1.00 0.00 H new ATOM 0 HA LYS A 87 20.540 5.465 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 87 19.950 7.527 1.511 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.292 7.519 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.094 6.710 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.783 6.960 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.697 8.992 2.113 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.324 9.379 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.646 8.854 -0.777 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.007 8.586 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.176 10.801 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.026 10.901 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.540 11.131 -0.080 1.00 0.00 H new ATOM 1292 N SER A 88 20.239 5.582 3.063 1.00 0.00 N ATOM 1293 CA SER A 88 20.337 5.066 4.422 1.00 0.00 C ATOM 1294 C SER A 88 18.950 4.933 5.041 1.00 0.00 C ATOM 1295 O SER A 88 18.768 4.255 6.052 1.00 0.00 O ATOM 1296 CB SER A 88 21.200 5.990 5.281 1.00 0.00 C ATOM 1297 OG SER A 88 21.748 5.296 6.389 1.00 0.00 O ATOM 0 H SER A 88 20.696 6.482 2.919 1.00 0.00 H new ATOM 0 HA SER A 88 20.803 4.081 4.382 1.00 0.00 H new ATOM 0 HB2 SER A 88 22.005 6.407 4.676 1.00 0.00 H new ATOM 0 HB3 SER A 88 20.600 6.828 5.634 1.00 0.00 H new ATOM 0 HG SER A 88 22.297 5.910 6.921 1.00 0.00 H new ATOM 1303 N GLU A 89 17.976 5.591 4.419 1.00 0.00 N ATOM 1304 CA GLU A 89 16.600 5.561 4.894 1.00 0.00 C ATOM 1305 C GLU A 89 15.882 4.305 4.409 1.00 0.00 C ATOM 1306 O GLU A 89 15.108 3.698 5.149 1.00 0.00 O ATOM 1307 CB GLU A 89 15.857 6.811 4.416 1.00 0.00 C ATOM 1308 CG GLU A 89 14.348 6.729 4.579 1.00 0.00 C ATOM 1309 CD GLU A 89 13.903 6.950 6.012 1.00 0.00 C ATOM 1310 OE1 GLU A 89 14.144 6.059 6.853 1.00 0.00 O ATOM 1311 OE2 GLU A 89 13.313 8.015 6.292 1.00 0.00 O ATOM 0 H GLU A 89 18.118 6.154 3.580 1.00 0.00 H new ATOM 0 HA GLU A 89 16.612 5.545 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.226 7.675 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.091 6.981 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.876 7.473 3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.002 5.752 4.242 1.00 0.00 H new ATOM 1318 N ASP A 90 16.146 3.921 3.161 1.00 0.00 N ATOM 1319 CA ASP A 90 15.526 2.734 2.576 1.00 0.00 C ATOM 1320 C ASP A 90 15.727 1.519 3.475 1.00 0.00 C ATOM 1321 O ASP A 90 14.907 0.601 3.484 1.00 0.00 O ATOM 1322 CB ASP A 90 16.107 2.458 1.190 1.00 0.00 C ATOM 1323 CG ASP A 90 15.033 2.367 0.124 1.00 0.00 C ATOM 1324 OD1 ASP A 90 14.334 1.333 0.075 1.00 0.00 O ATOM 1325 OD2 ASP A 90 14.895 3.326 -0.664 1.00 0.00 O ATOM 0 H ASP A 90 16.784 4.414 2.537 1.00 0.00 H new ATOM 0 HA ASP A 90 14.457 2.923 2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.809 3.250 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.672 1.526 1.214 1.00 0.00 H new ATOM 1330 N THR A 91 16.818 1.526 4.235 1.00 0.00 N ATOM 1331 CA THR A 91 17.120 0.430 5.147 1.00 0.00 C ATOM 1332 C THR A 91 16.054 0.331 6.231 1.00 0.00 C ATOM 1333 O THR A 91 16.160 0.968 7.280 1.00 0.00 O ATOM 1334 CB THR A 91 18.500 0.612 5.809 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.527 0.615 4.812 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.771 -0.494 6.818 1.00 0.00 C ATOM 0 H THR A 91 17.507 2.278 4.237 1.00 0.00 H new ATOM 0 HA THR A 91 17.133 -0.488 4.559 1.00 0.00 H new ATOM 0 HB THR A 91 18.500 1.567 6.334 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.400 0.733 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.751 -0.342 7.270 1.00 0.00 H new ATOM 0 HG22 THR A 91 18.006 -0.474 7.594 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.750 -1.460 6.313 1.00 0.00 H new ATOM 1344 N ALA A 92 15.020 -0.461 5.966 1.00 0.00 N ATOM 1345 CA ALA A 92 13.929 -0.631 6.914 1.00 0.00 C ATOM 1346 C ALA A 92 12.997 -1.759 6.488 1.00 0.00 C ATOM 1347 O ALA A 92 13.209 -2.399 5.457 1.00 0.00 O ATOM 1348 CB ALA A 92 13.151 0.669 7.048 1.00 0.00 C ATOM 0 H ALA A 92 14.916 -0.994 5.103 1.00 0.00 H new ATOM 0 HA ALA A 92 14.357 -0.896 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.336 0.534 7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.816 1.456 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.742 0.950 6.077 1.00 0.00 H new ATOM 1354 N VAL A 93 11.960 -1.988 7.284 1.00 0.00 N ATOM 1355 CA VAL A 93 10.983 -3.029 6.990 1.00 0.00 C ATOM 1356 C VAL A 93 9.763 -2.427 6.299 1.00 0.00 C ATOM 1357 O VAL A 93 9.391 -1.290 6.574 1.00 0.00 O ATOM 1358 CB VAL A 93 10.541 -3.761 8.270 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.626 -4.923 7.930 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.754 -4.243 9.053 1.00 0.00 C ATOM 0 H VAL A 93 11.774 -1.466 8.140 1.00 0.00 H new ATOM 0 HA VAL A 93 11.459 -3.752 6.327 1.00 0.00 H new ATOM 0 HB VAL A 93 9.986 -3.061 8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.324 -5.429 8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.742 -4.551 7.413 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.154 -5.626 7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.424 -4.758 9.955 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.336 -4.928 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.372 -3.389 9.329 1.00 0.00 H new ATOM 1370 N TYR A 94 9.155 -3.178 5.387 1.00 0.00 N ATOM 1371 CA TYR A 94 7.994 -2.681 4.657 1.00 0.00 C ATOM 1372 C TYR A 94 6.772 -3.577 4.852 1.00 0.00 C ATOM 1373 O TYR A 94 6.894 -4.789 5.029 1.00 0.00 O ATOM 1374 CB TYR A 94 8.334 -2.536 3.172 1.00 0.00 C ATOM 1375 CG TYR A 94 9.387 -1.479 2.912 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.707 -1.679 3.300 1.00 0.00 C ATOM 1377 CD2 TYR A 94 9.060 -0.278 2.295 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.670 -0.714 3.080 1.00 0.00 C ATOM 1379 CE2 TYR A 94 10.019 0.693 2.073 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.322 0.469 2.470 1.00 0.00 C ATOM 1381 OH TYR A 94 12.280 1.431 2.255 1.00 0.00 O ATOM 0 H TYR A 94 9.443 -4.124 5.137 1.00 0.00 H new ATOM 0 HA TYR A 94 7.737 -1.701 5.060 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.685 -3.494 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.429 -2.284 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.984 -2.605 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.041 -0.100 1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.691 -0.887 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.750 1.622 1.592 1.00 0.00 H new ATOM 0 HH TYR A 94 12.175 1.802 1.354 1.00 0.00 H new ATOM 1391 N TYR A 95 5.596 -2.952 4.834 1.00 0.00 N ATOM 1392 CA TYR A 95 4.329 -3.655 5.027 1.00 0.00 C ATOM 1393 C TYR A 95 3.300 -3.203 4.000 1.00 0.00 C ATOM 1394 O TYR A 95 3.493 -2.204 3.317 1.00 0.00 O ATOM 1395 CB TYR A 95 3.791 -3.391 6.433 1.00 0.00 C ATOM 1396 CG TYR A 95 4.800 -3.647 7.525 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.701 -2.664 7.875 1.00 0.00 C ATOM 1398 CD2 TYR A 95 4.845 -4.855 8.210 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.626 -2.862 8.876 1.00 0.00 C ATOM 1400 CE2 TYR A 95 5.771 -5.066 9.217 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.659 -4.064 9.546 1.00 0.00 C ATOM 1402 OH TYR A 95 7.580 -4.266 10.548 1.00 0.00 O ATOM 0 H TYR A 95 5.495 -1.948 4.686 1.00 0.00 H new ATOM 0 HA TYR A 95 4.510 -4.722 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.455 -2.356 6.496 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.917 -4.020 6.603 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.681 -1.719 7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.148 -5.639 7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.322 -2.078 9.134 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.798 -6.010 9.742 1.00 0.00 H new ATOM 0 HH TYR A 95 7.468 -5.166 10.919 1.00 0.00 H new ATOM 1412 N CYS A 96 2.202 -3.938 3.898 1.00 0.00 N ATOM 1413 CA CYS A 96 1.147 -3.590 2.959 1.00 0.00 C ATOM 1414 C CYS A 96 -0.220 -3.752 3.609 1.00 0.00 C ATOM 1415 O CYS A 96 -0.442 -4.684 4.381 1.00 0.00 O ATOM 1416 CB CYS A 96 1.238 -4.456 1.703 1.00 0.00 C ATOM 1417 SG CYS A 96 1.472 -6.231 2.040 1.00 0.00 S ATOM 0 H CYS A 96 2.019 -4.775 4.451 1.00 0.00 H new ATOM 0 HA CYS A 96 1.276 -2.546 2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.328 -4.325 1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.066 -4.101 1.089 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.129 -2.834 3.298 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.473 -2.878 3.861 1.00 0.00 C ATOM 1424 C ALA A 97 -3.434 -1.968 3.109 1.00 0.00 C ATOM 1425 O ALA A 97 -3.019 -1.108 2.328 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.442 -2.499 5.330 1.00 0.00 C ATOM 0 H ALA A 97 -0.961 -2.054 2.662 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.835 -3.901 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.453 -2.536 5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.806 -3.198 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.045 -1.490 5.437 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.722 -2.166 3.365 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.766 -1.370 2.736 1.00 0.00 C ATOM 1434 C LYS A 98 -5.996 -0.087 3.533 1.00 0.00 C ATOM 1435 O LYS A 98 -5.779 -0.054 4.744 1.00 0.00 O ATOM 1436 CB LYS A 98 -7.060 -2.191 2.630 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.338 -1.378 2.776 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.307 -2.037 3.743 1.00 0.00 C ATOM 1439 CE LYS A 98 -9.732 -1.078 4.843 1.00 0.00 C ATOM 1440 NZ LYS A 98 -11.164 -0.683 4.716 1.00 0.00 N ATOM 0 H LYS A 98 -5.069 -2.877 4.009 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.452 -1.095 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.075 -2.698 1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.048 -2.965 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.095 -0.376 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.813 -1.267 1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.187 -2.383 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.840 -2.917 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.569 -1.545 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.106 -0.187 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.413 -0.029 5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.315 -0.214 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.764 -1.530 4.774 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.429 0.964 2.846 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.676 2.250 3.493 1.00 0.00 C ATOM 1456 C TYR A 99 -8.067 2.297 4.114 1.00 0.00 C ATOM 1457 O TYR A 99 -9.076 2.281 3.410 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.521 3.390 2.484 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.468 4.405 2.868 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -4.124 4.059 2.917 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -5.820 5.711 3.185 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -3.161 4.985 3.268 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -4.863 6.643 3.537 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.535 6.276 3.577 1.00 0.00 C ATOM 1465 OH TYR A 99 -2.579 7.201 3.926 1.00 0.00 O ATOM 0 H TYR A 99 -6.616 0.953 1.843 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.941 2.370 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -6.269 2.969 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.479 3.898 2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.827 3.049 2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.859 6.003 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.120 4.699 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.154 7.654 3.780 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.712 6.931 3.556 1.00 0.00 H new ATOM 1475 N SER A 100 -8.108 2.360 5.441 1.00 0.00 N ATOM 1476 CA SER A 100 -9.370 2.416 6.168 1.00 0.00 C ATOM 1477 C SER A 100 -9.832 3.860 6.329 1.00 0.00 C ATOM 1478 O SER A 100 -10.762 4.145 7.084 1.00 0.00 O ATOM 1479 CB SER A 100 -9.218 1.763 7.543 1.00 0.00 C ATOM 1480 OG SER A 100 -9.660 0.418 7.522 1.00 0.00 O ATOM 0 H SER A 100 -7.279 2.374 6.035 1.00 0.00 H new ATOM 0 HA SER A 100 -10.120 1.870 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.174 1.801 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.790 2.325 8.281 1.00 0.00 H new ATOM 0 HG SER A 100 -9.550 0.024 8.412 1.00 0.00 H new ATOM 1486 N GLY A 101 -9.171 4.766 5.616 1.00 0.00 N ATOM 1487 CA GLY A 101 -9.519 6.172 5.692 1.00 0.00 C ATOM 1488 C GLY A 101 -8.342 7.032 6.095 1.00 0.00 C ATOM 1489 O GLY A 101 -7.916 7.907 5.341 1.00 0.00 O ATOM 0 H GLY A 101 -8.399 4.550 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.895 6.504 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.327 6.306 6.411 1.00 0.00 H new ATOM 1493 N GLY A 102 -7.814 6.780 7.287 1.00 0.00 N ATOM 1494 CA GLY A 102 -6.681 7.542 7.771 1.00 0.00 C ATOM 1495 C GLY A 102 -5.551 6.654 8.249 1.00 0.00 C ATOM 1496 O GLY A 102 -5.725 5.865 9.177 1.00 0.00 O ATOM 0 H GLY A 102 -8.151 6.061 7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.317 8.192 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.003 8.188 8.588 1.00 0.00 H new ATOM 1500 N ALA A 103 -4.395 6.783 7.603 1.00 0.00 N ATOM 1501 CA ALA A 103 -3.218 5.988 7.949 1.00 0.00 C ATOM 1502 C ALA A 103 -3.443 4.512 7.637 1.00 0.00 C ATOM 1503 O ALA A 103 -4.581 4.061 7.508 1.00 0.00 O ATOM 1504 CB ALA A 103 -2.853 6.178 9.415 1.00 0.00 C ATOM 0 H ALA A 103 -4.247 7.435 6.832 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.385 6.338 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.975 5.578 9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.635 7.229 9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.687 5.863 10.042 1.00 0.00 H new ATOM 1510 N LEU A 104 -2.351 3.765 7.506 1.00 0.00 N ATOM 1511 CA LEU A 104 -2.438 2.343 7.199 1.00 0.00 C ATOM 1512 C LEU A 104 -2.290 1.491 8.455 1.00 0.00 C ATOM 1513 O LEU A 104 -1.720 1.928 9.455 1.00 0.00 O ATOM 1514 CB LEU A 104 -1.378 1.952 6.166 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.780 0.799 5.242 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.067 1.125 4.518 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.688 0.498 4.233 1.00 0.00 C ATOM 0 H LEU A 104 -1.400 4.119 7.607 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.427 2.155 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.146 2.825 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.463 1.677 6.691 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.931 -0.085 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.338 0.295 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.862 1.289 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.930 2.026 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.002 -0.325 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.502 1.382 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.226 0.220 4.758 1.00 0.00 H new ATOM 1529 N ASP A 105 -2.819 0.271 8.393 1.00 0.00 N ATOM 1530 CA ASP A 105 -2.761 -0.654 9.519 1.00 0.00 C ATOM 1531 C ASP A 105 -1.609 -1.644 9.358 1.00 0.00 C ATOM 1532 O ASP A 105 -1.028 -2.100 10.343 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.085 -1.408 9.645 1.00 0.00 C ATOM 1534 CG ASP A 105 -4.438 -1.723 11.085 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -3.596 -2.326 11.784 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -5.556 -1.368 11.514 1.00 0.00 O ATOM 0 H ASP A 105 -3.294 -0.100 7.570 1.00 0.00 H new ATOM 0 HA ASP A 105 -2.588 -0.075 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.882 -0.812 9.201 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.026 -2.337 9.077 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.287 -1.964 8.106 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.203 -2.896 7.792 1.00 0.00 C ATOM 1543 C ALA A 106 -0.496 -4.304 8.305 1.00 0.00 C ATOM 1544 O ALA A 106 -0.464 -4.556 9.509 1.00 0.00 O ATOM 1545 CB ALA A 106 1.114 -2.388 8.362 1.00 0.00 C ATOM 0 H ALA A 106 -1.765 -1.589 7.286 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.124 -2.953 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.911 -3.092 8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.346 -1.415 7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.030 -2.293 9.445 1.00 0.00 H new ATOM 1551 N TRP A 107 -0.771 -5.224 7.377 1.00 0.00 N ATOM 1552 CA TRP A 107 -1.059 -6.613 7.735 1.00 0.00 C ATOM 1553 C TRP A 107 -0.146 -7.569 6.986 1.00 0.00 C ATOM 1554 O TRP A 107 -0.098 -8.764 7.279 1.00 0.00 O ATOM 1555 CB TRP A 107 -2.514 -6.970 7.430 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.484 -5.873 7.724 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -3.633 -5.203 8.901 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.447 -5.322 6.822 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -4.636 -4.271 8.790 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.150 -4.324 7.521 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -4.783 -5.579 5.492 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.169 -3.582 6.931 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -5.793 -4.842 4.907 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.476 -3.853 5.626 1.00 0.00 C ATOM 0 H TRP A 107 -0.800 -5.032 6.376 1.00 0.00 H new ATOM 0 HA TRP A 107 -0.883 -6.712 8.806 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -2.597 -7.242 6.378 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -2.790 -7.850 8.010 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -3.048 -5.379 9.791 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -4.947 -3.643 9.531 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -4.262 -6.341 4.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.698 -2.820 7.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.061 -5.031 3.878 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.261 -3.293 5.140 1.00 0.00 H new ATOM 1575 N GLY A 108 0.570 -7.031 6.017 1.00 0.00 N ATOM 1576 CA GLY A 108 1.474 -7.841 5.225 1.00 0.00 C ATOM 1577 C GLY A 108 2.758 -8.153 5.964 1.00 0.00 C ATOM 1578 O GLY A 108 3.224 -7.348 6.771 1.00 0.00 O ATOM 0 H GLY A 108 0.544 -6.044 5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.979 -8.773 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.708 -7.319 4.297 1.00 0.00 H new ATOM 1582 N GLN A 109 3.334 -9.320 5.686 1.00 0.00 N ATOM 1583 CA GLN A 109 4.574 -9.723 6.332 1.00 0.00 C ATOM 1584 C GLN A 109 5.620 -8.628 6.195 1.00 0.00 C ATOM 1585 O GLN A 109 5.832 -8.091 5.109 1.00 0.00 O ATOM 1586 CB GLN A 109 5.105 -11.023 5.728 1.00 0.00 C ATOM 1587 CG GLN A 109 4.542 -12.275 6.381 1.00 0.00 C ATOM 1588 CD GLN A 109 5.487 -12.876 7.402 1.00 0.00 C ATOM 1589 OE1 GLN A 109 6.556 -12.328 7.675 1.00 0.00 O ATOM 1590 NE2 GLN A 109 5.098 -14.010 7.972 1.00 0.00 N ATOM 0 H GLN A 109 2.962 -9.998 5.021 1.00 0.00 H new ATOM 0 HA GLN A 109 4.366 -9.890 7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.869 -11.042 4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.192 -11.036 5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.596 -12.033 6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.326 -13.016 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 109 4.204 -14.429 7.716 1.00 0.00 H new ATOM 0 HE22 GLN A 109 5.693 -14.462 8.666 1.00 0.00 H new ATOM 1599 N GLY A 110 6.262 -8.295 7.301 1.00 0.00 N ATOM 1600 CA GLY A 110 7.269 -7.257 7.281 1.00 0.00 C ATOM 1601 C GLY A 110 8.531 -7.685 6.562 1.00 0.00 C ATOM 1602 O GLY A 110 9.384 -8.363 7.136 1.00 0.00 O ATOM 0 H GLY A 110 6.105 -8.724 8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.862 -6.370 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.516 -6.975 8.305 1.00 0.00 H new ATOM 1606 N THR A 111 8.648 -7.283 5.301 1.00 0.00 N ATOM 1607 CA THR A 111 9.812 -7.623 4.494 1.00 0.00 C ATOM 1608 C THR A 111 11.041 -6.844 4.953 1.00 0.00 C ATOM 1609 O THR A 111 10.955 -5.653 5.256 1.00 0.00 O ATOM 1610 CB THR A 111 9.564 -7.344 3.001 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.745 -7.635 2.249 1.00 0.00 O ATOM 1612 CG2 THR A 111 9.160 -5.895 2.777 1.00 0.00 C ATOM 0 H THR A 111 7.949 -6.720 4.816 1.00 0.00 H new ATOM 0 HA THR A 111 9.990 -8.690 4.627 1.00 0.00 H new ATOM 0 HB THR A 111 8.749 -7.986 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.984 -8.578 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.991 -5.725 1.714 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.244 -5.683 3.329 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.955 -5.237 3.128 1.00 0.00 H new ATOM 1620 N GLN A 112 12.177 -7.528 5.016 1.00 0.00 N ATOM 1621 CA GLN A 112 13.421 -6.904 5.454 1.00 0.00 C ATOM 1622 C GLN A 112 14.204 -6.315 4.283 1.00 0.00 C ATOM 1623 O GLN A 112 14.868 -7.038 3.540 1.00 0.00 O ATOM 1624 CB GLN A 112 14.285 -7.924 6.199 1.00 0.00 C ATOM 1625 CG GLN A 112 15.604 -7.354 6.699 1.00 0.00 C ATOM 1626 CD GLN A 112 15.462 -6.629 8.023 1.00 0.00 C ATOM 1627 OE1 GLN A 112 15.756 -7.185 9.081 1.00 0.00 O ATOM 1628 NE2 GLN A 112 15.012 -5.382 7.969 1.00 0.00 N ATOM 0 H GLN A 112 12.263 -8.514 4.770 1.00 0.00 H new ATOM 0 HA GLN A 112 13.161 -6.085 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.722 -8.314 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.490 -8.766 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.327 -8.163 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.004 -6.667 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 112 14.781 -4.962 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 112 14.897 -4.844 8.828 1.00 0.00 H new ATOM 1637 N VAL A 113 14.139 -4.995 4.142 1.00 0.00 N ATOM 1638 CA VAL A 113 14.858 -4.294 3.081 1.00 0.00 C ATOM 1639 C VAL A 113 16.042 -3.536 3.670 1.00 0.00 C ATOM 1640 O VAL A 113 15.887 -2.800 4.644 1.00 0.00 O ATOM 1641 CB VAL A 113 13.938 -3.304 2.337 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.724 -2.514 1.302 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.777 -4.041 1.686 1.00 0.00 C ATOM 0 H VAL A 113 13.593 -4.386 4.752 1.00 0.00 H new ATOM 0 HA VAL A 113 15.211 -5.039 2.368 1.00 0.00 H new ATOM 0 HB VAL A 113 13.532 -2.600 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.057 -1.822 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.517 -1.954 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.163 -3.200 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.139 -3.327 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.163 -4.770 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.197 -4.555 2.452 1.00 0.00 H new ATOM 1653 N THR A 114 17.231 -3.724 3.096 1.00 0.00 N ATOM 1654 CA THR A 114 18.421 -3.052 3.613 1.00 0.00 C ATOM 1655 C THR A 114 19.266 -2.417 2.512 1.00 0.00 C ATOM 1656 O THR A 114 19.134 -2.745 1.331 1.00 0.00 O ATOM 1657 CB THR A 114 19.305 -4.017 4.420 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.490 -4.962 5.125 1.00 0.00 O ATOM 1659 CG2 THR A 114 20.171 -3.251 5.405 1.00 0.00 C ATOM 0 H THR A 114 17.394 -4.325 2.288 1.00 0.00 H new ATOM 0 HA THR A 114 18.050 -2.259 4.263 1.00 0.00 H new ATOM 0 HB THR A 114 19.953 -4.551 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.063 -5.573 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.789 -3.951 5.967 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.811 -2.556 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 114 19.534 -2.696 6.094 1.00 0.00 H new ATOM 1667 N VAL A 115 20.136 -1.498 2.928 1.00 0.00 N ATOM 1668 CA VAL A 115 21.023 -0.785 2.017 1.00 0.00 C ATOM 1669 C VAL A 115 22.459 -0.802 2.534 1.00 0.00 C ATOM 1670 O VAL A 115 22.781 -0.136 3.520 1.00 0.00 O ATOM 1671 CB VAL A 115 20.573 0.676 1.850 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.210 1.307 0.624 1.00 0.00 C ATOM 1673 CG2 VAL A 115 19.056 0.757 1.779 1.00 0.00 C ATOM 0 H VAL A 115 20.244 -1.229 3.906 1.00 0.00 H new ATOM 0 HA VAL A 115 20.978 -1.292 1.053 1.00 0.00 H new ATOM 0 HB VAL A 115 20.907 1.239 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.874 2.340 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.295 1.286 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 115 20.918 0.749 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.752 1.797 1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.700 0.176 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.627 0.356 2.697 1.00 0.00 H new ATOM 1683 N SER A 116 23.318 -1.564 1.867 1.00 0.00 N ATOM 1684 CA SER A 116 24.719 -1.666 2.263 1.00 0.00 C ATOM 1685 C SER A 116 25.642 -1.408 1.074 1.00 0.00 C ATOM 1686 O SER A 116 25.289 -1.693 -0.070 1.00 0.00 O ATOM 1687 CB SER A 116 25.004 -3.047 2.856 1.00 0.00 C ATOM 1688 OG SER A 116 26.272 -3.079 3.490 1.00 0.00 O ATOM 0 H SER A 116 23.070 -2.121 1.049 1.00 0.00 H new ATOM 0 HA SER A 116 24.913 -0.907 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 116 24.227 -3.304 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 116 24.969 -3.799 2.068 1.00 0.00 H new ATOM 0 HG SER A 116 26.429 -3.972 3.862 1.00 0.00 H new