USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Single : A 1 GLN : amide:sc= 0.0109 K(o=0.011,f=-2.4) USER MOD Single : A 7 TYR OH : rot 136:sc= 0.267 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ALA N :NH3+ -112:sc= 1.08 (180deg=0.385) USER MOD Single : A 12 THR OG1 : rot -37:sc= 0.29 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 27 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -2.65! C(o=-3.8!,f=-2.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 77:sc= 0.89 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.171 F(o=-1.5!,f=0.17) USER MOD Single : A 53 MET CE :methyl 174:sc= -1.65 (180deg=-1.87) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -30:sc= 0.231 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.831) USER MOD Single : A 74 MET CE :methyl -129:sc= 0 (180deg=-0.122) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0.103 (180deg=-0.0352) USER MOD Single : A 90 HEC O2A : rot 179:sc= 0 USER MOD Single : A 90 HEC O2D : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 0.463 -2.187 -14.166 1.00 10.00 N ATOM 2 CA ALA A -3 0.772 -3.035 -15.343 1.00 10.00 C ATOM 3 C ALA A -3 2.273 -3.365 -15.378 1.00 10.00 C ATOM 4 O ALA A -3 2.970 -3.048 -16.337 1.00 10.00 O ATOM 5 CB ALA A -3 0.308 -2.341 -16.629 1.00 10.00 C ATOM 0 H1 ALA A -3 -0.115 -2.727 -13.491 1.00 10.00 H new ATOM 0 H2 ALA A -3 1.349 -1.895 -13.706 1.00 10.00 H new ATOM 0 H3 ALA A -3 -0.062 -1.343 -14.474 1.00 10.00 H new ATOM 0 HA ALA A -3 0.230 -3.977 -15.264 1.00 10.00 H new ATOM 0 HB1 ALA A -3 0.540 -2.972 -17.487 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -0.768 -2.172 -16.583 1.00 10.00 H new ATOM 0 HB3 ALA A -3 0.822 -1.385 -16.732 1.00 10.00 H new ATOM 13 N ASP A -2 2.754 -3.917 -14.263 1.00 10.00 N ATOM 14 CA ASP A -2 4.148 -3.886 -13.850 1.00 10.00 C ATOM 15 C ASP A -2 4.243 -4.671 -12.534 1.00 10.00 C ATOM 16 O ASP A -2 3.596 -4.289 -11.566 1.00 10.00 O ATOM 17 CB ASP A -2 4.620 -2.419 -13.714 1.00 10.00 C ATOM 18 CG ASP A -2 3.675 -1.492 -12.953 1.00 10.00 C ATOM 19 OD1 ASP A -2 2.680 -1.045 -13.576 1.00 10.00 O ATOM 20 OD2 ASP A -2 3.976 -1.179 -11.788 1.00 10.00 O ATOM 0 H ASP A -2 2.157 -4.415 -13.602 1.00 10.00 H new ATOM 0 HA ASP A -2 4.806 -4.348 -14.586 1.00 10.00 H new ATOM 0 HB2 ASP A -2 5.588 -2.412 -13.214 1.00 10.00 H new ATOM 0 HB3 ASP A -2 4.774 -2.011 -14.713 1.00 10.00 H new ATOM 25 N LEU A -1 4.955 -5.804 -12.513 1.00 10.00 N ATOM 26 CA LEU A -1 5.043 -6.642 -11.312 1.00 10.00 C ATOM 27 C LEU A -1 6.400 -7.329 -11.151 1.00 10.00 C ATOM 28 O LEU A -1 6.514 -8.411 -10.592 1.00 10.00 O ATOM 29 CB LEU A -1 3.812 -7.561 -11.166 1.00 10.00 C ATOM 30 CG LEU A -1 3.591 -8.733 -12.147 1.00 10.00 C ATOM 31 CD1 LEU A -1 4.179 -8.512 -13.540 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.071 -10.084 -11.602 1.00 10.00 C ATOM 0 H LEU A -1 5.478 -6.161 -13.313 1.00 10.00 H new ATOM 0 HA LEU A -1 5.002 -5.980 -10.447 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.842 -7.983 -10.161 1.00 10.00 H new ATOM 0 HB3 LEU A -1 2.928 -6.926 -11.218 1.00 10.00 H new ATOM 0 HG LEU A -1 2.506 -8.762 -12.249 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.978 -9.384 -14.162 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.724 -7.631 -13.992 1.00 10.00 H new ATOM 0 HD13 LEU A -1 5.256 -8.364 -13.461 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.885 -10.862 -12.343 1.00 10.00 H new ATOM 0 HD22 LEU A -1 5.139 -10.032 -11.390 1.00 10.00 H new ATOM 0 HD23 LEU A -1 3.530 -10.319 -10.685 1.00 10.00 H new ATOM 44 N GLN A 1 7.458 -6.654 -11.600 1.00 10.00 N ATOM 45 CA GLN A 1 8.814 -7.197 -11.596 1.00 10.00 C ATOM 46 C GLN A 1 9.618 -6.730 -10.383 1.00 10.00 C ATOM 47 O GLN A 1 10.558 -7.408 -9.977 1.00 10.00 O ATOM 48 CB GLN A 1 9.534 -6.759 -12.885 1.00 10.00 C ATOM 49 CG GLN A 1 9.402 -7.783 -14.016 1.00 10.00 C ATOM 50 CD GLN A 1 7.973 -7.979 -14.512 1.00 10.00 C ATOM 51 OE1 GLN A 1 7.135 -7.085 -14.447 1.00 10.00 O ATOM 52 NE2 GLN A 1 7.688 -9.163 -15.038 1.00 10.00 N ATOM 0 H GLN A 1 7.397 -5.709 -11.979 1.00 10.00 H new ATOM 0 HA GLN A 1 8.740 -8.283 -11.544 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.127 -5.804 -13.217 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.590 -6.597 -12.669 1.00 10.00 H new ATOM 0 HG2 GLN A 1 10.026 -7.468 -14.852 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.791 -8.741 -13.672 1.00 10.00 H new ATOM 0 HE21 GLN A 1 8.404 -9.888 -15.079 1.00 10.00 H new ATOM 0 HE22 GLN A 1 6.753 -9.348 -15.401 1.00 10.00 H new ATOM 61 N ASP A 2 9.255 -5.578 -9.818 1.00 10.00 N ATOM 62 CA ASP A 2 9.891 -5.027 -8.643 1.00 10.00 C ATOM 63 C ASP A 2 8.816 -4.390 -7.758 1.00 10.00 C ATOM 64 O ASP A 2 8.070 -3.512 -8.189 1.00 10.00 O ATOM 65 CB ASP A 2 10.979 -4.041 -9.083 1.00 10.00 C ATOM 66 CG ASP A 2 11.809 -3.532 -7.917 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.332 -3.676 -6.769 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.892 -2.990 -8.205 1.00 10.00 O ATOM 0 H ASP A 2 8.496 -4.999 -10.178 1.00 10.00 H new ATOM 0 HA ASP A 2 10.383 -5.798 -8.049 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.634 -4.527 -9.806 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.515 -3.196 -9.591 1.00 10.00 H new ATOM 73 N ALA A 3 8.741 -4.841 -6.512 1.00 10.00 N ATOM 74 CA ALA A 3 7.904 -4.257 -5.486 1.00 10.00 C ATOM 75 C ALA A 3 8.152 -2.752 -5.305 1.00 10.00 C ATOM 76 O ALA A 3 7.206 -1.987 -5.095 1.00 10.00 O ATOM 77 CB ALA A 3 8.187 -5.034 -4.216 1.00 10.00 C ATOM 0 H ALA A 3 9.277 -5.645 -6.184 1.00 10.00 H new ATOM 0 HA ALA A 3 6.853 -4.329 -5.766 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.580 -4.636 -3.403 1.00 10.00 H new ATOM 0 HB2 ALA A 3 7.942 -6.085 -4.370 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.243 -4.941 -3.960 1.00 10.00 H new ATOM 83 N GLU A 4 9.411 -2.315 -5.444 1.00 10.00 N ATOM 84 CA GLU A 4 9.732 -0.895 -5.495 1.00 10.00 C ATOM 85 C GLU A 4 9.006 -0.226 -6.660 1.00 10.00 C ATOM 86 O GLU A 4 8.336 0.785 -6.475 1.00 10.00 O ATOM 87 CB GLU A 4 11.246 -0.665 -5.556 1.00 10.00 C ATOM 88 CG GLU A 4 11.562 0.842 -5.655 1.00 10.00 C ATOM 89 CD GLU A 4 12.966 1.233 -5.201 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.780 0.322 -4.943 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.192 2.458 -5.101 1.00 10.00 O ATOM 0 H GLU A 4 10.220 -2.931 -5.523 1.00 10.00 H new ATOM 0 HA GLU A 4 9.381 -0.431 -4.573 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.719 -1.084 -4.668 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.664 -1.187 -6.416 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.428 1.160 -6.689 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.836 1.391 -5.056 1.00 10.00 H new ATOM 98 N ALA A 5 9.057 -0.827 -7.852 1.00 10.00 N ATOM 99 CA ALA A 5 8.429 -0.254 -9.037 1.00 10.00 C ATOM 100 C ALA A 5 6.907 -0.271 -8.901 1.00 10.00 C ATOM 101 O ALA A 5 6.248 0.689 -9.284 1.00 10.00 O ATOM 102 CB ALA A 5 8.878 -0.996 -10.296 1.00 10.00 C ATOM 0 H ALA A 5 9.530 -1.715 -8.018 1.00 10.00 H new ATOM 0 HA ALA A 5 8.746 0.785 -9.128 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.399 -0.554 -11.169 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.960 -0.918 -10.398 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.595 -2.046 -10.220 1.00 10.00 H new ATOM 108 N ILE A 6 6.353 -1.295 -8.248 1.00 10.00 N ATOM 109 CA ILE A 6 4.915 -1.372 -8.039 1.00 10.00 C ATOM 110 C ILE A 6 4.494 -0.207 -7.148 1.00 10.00 C ATOM 111 O ILE A 6 3.624 0.568 -7.544 1.00 10.00 O ATOM 112 CB ILE A 6 4.563 -2.716 -7.380 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.656 -3.834 -8.424 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.145 -2.707 -6.778 1.00 10.00 C ATOM 115 CD1 ILE A 6 4.847 -5.198 -7.760 1.00 10.00 C ATOM 0 H ILE A 6 6.880 -2.077 -7.858 1.00 10.00 H new ATOM 0 HA ILE A 6 4.386 -1.309 -8.990 1.00 10.00 H new ATOM 0 HB ILE A 6 5.273 -2.885 -6.571 1.00 10.00 H new ATOM 0 HG12 ILE A 6 3.750 -3.845 -9.030 1.00 10.00 H new ATOM 0 HG13 ILE A 6 5.488 -3.636 -9.099 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.937 -3.675 -6.323 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.077 -1.927 -6.020 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.417 -2.512 -7.565 1.00 10.00 H new ATOM 0 HD11 ILE A 6 4.909 -5.970 -8.527 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.767 -5.192 -7.175 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.001 -5.405 -7.104 1.00 10.00 H new ATOM 127 N TYR A 7 5.137 0.002 -5.990 1.00 10.00 N ATOM 128 CA TYR A 7 4.700 1.124 -5.164 1.00 10.00 C ATOM 129 C TYR A 7 5.038 2.480 -5.798 1.00 10.00 C ATOM 130 O TYR A 7 4.209 3.385 -5.825 1.00 10.00 O ATOM 131 CB TYR A 7 5.103 0.985 -3.685 1.00 10.00 C ATOM 132 CG TYR A 7 6.337 1.752 -3.286 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.276 3.148 -3.108 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.570 1.091 -3.227 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.463 3.897 -3.045 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.752 1.842 -3.154 1.00 10.00 C ATOM 137 CZ TYR A 7 8.702 3.240 -3.095 1.00 10.00 C ATOM 138 OH TYR A 7 9.853 3.962 -3.077 1.00 10.00 O ATOM 0 H TYR A 7 5.911 -0.553 -5.625 1.00 10.00 H new ATOM 0 HA TYR A 7 3.611 1.089 -5.139 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.271 1.317 -3.065 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.263 -0.071 -3.465 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.319 3.641 -3.020 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.610 0.012 -3.238 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.422 4.973 -2.959 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.707 1.339 -3.143 1.00 10.00 H new ATOM 0 HH TYR A 7 10.491 3.545 -2.462 1.00 10.00 H new ATOM 148 N ASN A 8 6.240 2.603 -6.359 1.00 10.00 N ATOM 149 CA ASN A 8 6.781 3.819 -6.946 1.00 10.00 C ATOM 150 C ASN A 8 6.060 4.226 -8.238 1.00 10.00 C ATOM 151 O ASN A 8 6.109 5.389 -8.619 1.00 10.00 O ATOM 152 CB ASN A 8 8.284 3.605 -7.152 1.00 10.00 C ATOM 153 CG ASN A 8 9.050 4.858 -7.542 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.794 5.950 -7.052 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.039 4.703 -8.411 1.00 10.00 N ATOM 0 H ASN A 8 6.890 1.819 -6.417 1.00 10.00 H new ATOM 0 HA ASN A 8 6.617 4.658 -6.270 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.711 3.205 -6.232 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.428 2.850 -7.925 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.607 5.505 -8.686 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.232 3.782 -8.805 1.00 10.00 H new ATOM 162 N LYS A 9 5.399 3.289 -8.924 1.00 10.00 N ATOM 163 CA LYS A 9 4.513 3.586 -10.045 1.00 10.00 C ATOM 164 C LYS A 9 3.033 3.709 -9.626 1.00 10.00 C ATOM 165 O LYS A 9 2.274 4.403 -10.302 1.00 10.00 O ATOM 166 CB LYS A 9 4.698 2.532 -11.139 1.00 10.00 C ATOM 167 CG LYS A 9 4.374 3.108 -12.524 1.00 10.00 C ATOM 168 CD LYS A 9 3.625 2.073 -13.362 1.00 10.00 C ATOM 169 CE LYS A 9 2.174 1.947 -12.874 1.00 10.00 C ATOM 170 NZ LYS A 9 1.227 2.114 -13.991 1.00 10.00 N ATOM 0 H LYS A 9 5.467 2.294 -8.712 1.00 10.00 H new ATOM 0 HA LYS A 9 4.791 4.565 -10.436 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.725 2.166 -11.125 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.052 1.677 -10.937 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.769 4.009 -12.419 1.00 10.00 H new ATOM 0 HG3 LYS A 9 5.295 3.399 -13.030 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.639 2.365 -14.412 1.00 10.00 H new ATOM 0 HD3 LYS A 9 4.125 1.107 -13.293 1.00 10.00 H new ATOM 0 HE2 LYS A 9 2.026 0.972 -12.409 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.977 2.698 -12.109 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 0.253 2.025 -13.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 1.356 3.054 -14.418 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 1.403 1.381 -14.708 1.00 10.00 H new ATOM 184 N ALA A 10 2.602 3.014 -8.564 1.00 10.00 N ATOM 185 CA ALA A 10 1.191 2.910 -8.166 1.00 10.00 C ATOM 186 C ALA A 10 0.878 3.708 -6.895 1.00 10.00 C ATOM 187 O ALA A 10 0.145 4.695 -6.951 1.00 10.00 O ATOM 188 CB ALA A 10 0.782 1.441 -8.023 1.00 10.00 C ATOM 0 H ALA A 10 3.233 2.501 -7.948 1.00 10.00 H new ATOM 0 HA ALA A 10 0.595 3.359 -8.961 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.266 1.382 -7.728 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.920 0.931 -8.976 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.400 0.963 -7.263 1.00 10.00 H new ATOM 194 N CYS A 11 1.451 3.336 -5.744 1.00 10.00 N ATOM 195 CA CYS A 11 1.257 4.012 -4.457 1.00 10.00 C ATOM 196 C CYS A 11 2.078 5.330 -4.406 1.00 10.00 C ATOM 197 O CYS A 11 2.741 5.658 -3.423 1.00 10.00 O ATOM 198 CB CYS A 11 1.596 3.076 -3.302 1.00 10.00 C ATOM 199 SG CYS A 11 1.667 1.285 -3.638 1.00 10.00 S ATOM 0 H CYS A 11 2.079 2.535 -5.681 1.00 10.00 H new ATOM 0 HA CYS A 11 0.206 4.282 -4.353 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.563 3.378 -2.901 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.860 3.238 -2.515 1.00 10.00 H new ATOM 204 N THR A 12 2.039 6.106 -5.493 1.00 10.00 N ATOM 205 CA THR A 12 2.974 7.194 -5.778 1.00 10.00 C ATOM 206 C THR A 12 2.296 8.505 -6.148 1.00 10.00 C ATOM 207 O THR A 12 2.951 9.531 -6.311 1.00 10.00 O ATOM 208 CB THR A 12 3.920 6.748 -6.895 1.00 10.00 C ATOM 209 OG1 THR A 12 5.014 7.621 -6.947 1.00 10.00 O ATOM 210 CG2 THR A 12 3.224 6.746 -8.263 1.00 10.00 C ATOM 0 H THR A 12 1.333 5.989 -6.220 1.00 10.00 H new ATOM 0 HA THR A 12 3.525 7.399 -4.860 1.00 10.00 H new ATOM 0 HB THR A 12 4.244 5.731 -6.674 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.713 8.535 -6.760 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.929 6.424 -9.029 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.376 6.061 -8.239 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.872 7.752 -8.494 1.00 10.00 H new ATOM 218 N VAL A 13 0.978 8.455 -6.290 1.00 10.00 N ATOM 219 CA VAL A 13 0.148 9.569 -6.706 1.00 10.00 C ATOM 220 C VAL A 13 -0.436 10.226 -5.452 1.00 10.00 C ATOM 221 O VAL A 13 -0.404 11.439 -5.268 1.00 10.00 O ATOM 222 CB VAL A 13 -0.944 8.998 -7.625 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.754 10.155 -8.188 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.351 8.184 -8.785 1.00 10.00 C ATOM 0 H VAL A 13 0.442 7.606 -6.111 1.00 10.00 H new ATOM 0 HA VAL A 13 0.705 10.331 -7.251 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.571 8.327 -7.038 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.534 9.768 -8.843 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.210 10.712 -7.370 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.099 10.816 -8.755 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.158 7.799 -9.409 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.298 8.823 -9.384 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.228 7.351 -8.386 1.00 10.00 H new ATOM 234 N CYS A 14 -0.944 9.360 -4.581 1.00 10.00 N ATOM 235 CA CYS A 14 -1.619 9.654 -3.337 1.00 10.00 C ATOM 236 C CYS A 14 -0.619 9.671 -2.174 1.00 10.00 C ATOM 237 O CYS A 14 -0.367 10.704 -1.555 1.00 10.00 O ATOM 238 CB CYS A 14 -2.670 8.583 -3.219 1.00 10.00 C ATOM 239 SG CYS A 14 -3.949 8.904 -4.463 1.00 10.00 S ATOM 0 H CYS A 14 -0.886 8.355 -4.747 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.079 10.642 -3.311 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.228 7.599 -3.373 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.104 8.585 -2.219 1.00 10.00 H new ATOM 244 N HIS A 15 -0.006 8.519 -1.905 1.00 10.00 N ATOM 245 CA HIS A 15 0.769 8.260 -0.695 1.00 10.00 C ATOM 246 C HIS A 15 2.137 8.965 -0.666 1.00 10.00 C ATOM 247 O HIS A 15 2.703 9.176 0.408 1.00 10.00 O ATOM 248 CB HIS A 15 0.952 6.747 -0.598 1.00 10.00 C ATOM 249 CG HIS A 15 -0.279 5.992 -0.181 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.419 5.423 1.048 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.290 5.520 -0.972 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.457 4.580 0.999 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.069 4.639 -0.196 1.00 10.00 N ATOM 0 H HIS A 15 -0.036 7.721 -2.539 1.00 10.00 H new ATOM 0 HA HIS A 15 0.224 8.666 0.157 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.281 6.371 -1.567 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.750 6.536 0.114 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.165 5.607 1.864 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.461 5.777 -2.007 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.762 3.938 1.812 1.00 10.00 H new ATOM 261 N SER A 16 2.647 9.347 -1.843 1.00 10.00 N ATOM 262 CA SER A 16 3.908 10.071 -2.004 1.00 10.00 C ATOM 263 C SER A 16 3.897 11.392 -1.228 1.00 10.00 C ATOM 264 O SER A 16 4.773 11.644 -0.402 1.00 10.00 O ATOM 265 CB SER A 16 4.172 10.311 -3.496 1.00 10.00 C ATOM 266 OG SER A 16 5.321 11.118 -3.667 1.00 10.00 O ATOM 0 H SER A 16 2.181 9.155 -2.730 1.00 10.00 H new ATOM 0 HA SER A 16 4.715 9.465 -1.592 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.310 9.358 -4.006 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.308 10.795 -3.952 1.00 10.00 H new ATOM 0 HG SER A 16 5.480 11.263 -4.623 1.00 10.00 H new ATOM 272 N MET A 17 2.872 12.218 -1.477 1.00 10.00 N ATOM 273 CA MET A 17 2.721 13.534 -0.860 1.00 10.00 C ATOM 274 C MET A 17 1.573 13.573 0.169 1.00 10.00 C ATOM 275 O MET A 17 1.464 14.529 0.934 1.00 10.00 O ATOM 276 CB MET A 17 2.535 14.569 -1.981 1.00 10.00 C ATOM 277 CG MET A 17 3.199 15.914 -1.660 1.00 10.00 C ATOM 278 SD MET A 17 5.004 15.940 -1.829 1.00 10.00 S ATOM 279 CE MET A 17 5.327 17.688 -1.532 1.00 10.00 C ATOM 0 H MET A 17 2.117 11.984 -2.122 1.00 10.00 H new ATOM 0 HA MET A 17 3.619 13.772 -0.289 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.952 14.174 -2.907 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.470 14.726 -2.152 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.777 16.676 -2.316 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.941 16.194 -0.639 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.398 17.877 -1.600 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.805 18.286 -2.279 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.973 17.960 -0.537 1.00 10.00 H new ATOM 289 N GLY A 18 0.711 12.546 0.191 1.00 10.00 N ATOM 290 CA GLY A 18 -0.473 12.483 1.047 1.00 10.00 C ATOM 291 C GLY A 18 -1.684 13.181 0.416 1.00 10.00 C ATOM 292 O GLY A 18 -2.454 13.863 1.089 1.00 10.00 O ATOM 0 H GLY A 18 0.824 11.722 -0.399 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.720 11.440 1.246 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.249 12.946 2.008 1.00 10.00 H new ATOM 296 N VAL A 19 -1.866 12.991 -0.894 1.00 10.00 N ATOM 297 CA VAL A 19 -2.994 13.513 -1.654 1.00 10.00 C ATOM 298 C VAL A 19 -4.211 12.607 -1.434 1.00 10.00 C ATOM 299 O VAL A 19 -4.088 11.455 -1.018 1.00 10.00 O ATOM 300 CB VAL A 19 -2.595 13.676 -3.137 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.761 14.071 -4.051 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.500 14.739 -3.269 1.00 10.00 C ATOM 0 H VAL A 19 -1.213 12.455 -1.466 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.275 14.507 -1.306 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.243 12.696 -3.459 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.403 14.167 -5.076 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.534 13.304 -4.006 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.175 15.024 -3.721 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.224 14.848 -4.318 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.870 15.692 -2.890 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.626 14.434 -2.693 1.00 10.00 H new ATOM 312 N ALA A 20 -5.405 13.171 -1.624 1.00 10.00 N ATOM 313 CA ALA A 20 -6.689 12.506 -1.393 1.00 10.00 C ATOM 314 C ALA A 20 -6.844 11.941 0.032 1.00 10.00 C ATOM 315 O ALA A 20 -7.647 11.043 0.260 1.00 10.00 O ATOM 316 CB ALA A 20 -6.901 11.430 -2.464 1.00 10.00 C ATOM 0 H ALA A 20 -5.509 14.131 -1.952 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.472 13.260 -1.477 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.856 10.932 -2.296 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.902 11.894 -3.450 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.096 10.698 -2.409 1.00 10.00 H new ATOM 322 N GLY A 21 -6.073 12.463 0.991 1.00 10.00 N ATOM 323 CA GLY A 21 -6.046 11.989 2.373 1.00 10.00 C ATOM 324 C GLY A 21 -5.257 10.686 2.567 1.00 10.00 C ATOM 325 O GLY A 21 -5.452 9.990 3.562 1.00 10.00 O ATOM 0 H GLY A 21 -5.438 13.243 0.822 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.611 12.764 3.004 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -7.070 11.837 2.715 1.00 10.00 H new ATOM 329 N ALA A 22 -4.357 10.337 1.640 1.00 10.00 N ATOM 330 CA ALA A 22 -3.619 9.079 1.714 1.00 10.00 C ATOM 331 C ALA A 22 -2.515 9.069 2.798 1.00 10.00 C ATOM 332 O ALA A 22 -1.830 10.071 3.002 1.00 10.00 O ATOM 333 CB ALA A 22 -3.077 8.743 0.326 1.00 10.00 C ATOM 0 H ALA A 22 -4.125 10.912 0.830 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.311 8.299 2.032 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.524 7.805 0.369 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.906 8.643 -0.374 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.414 9.541 -0.008 1.00 10.00 H new ATOM 339 N PRO A 23 -2.324 7.936 3.497 1.00 10.00 N ATOM 340 CA PRO A 23 -1.370 7.785 4.600 1.00 10.00 C ATOM 341 C PRO A 23 0.075 7.658 4.092 1.00 10.00 C ATOM 342 O PRO A 23 0.341 6.851 3.199 1.00 10.00 O ATOM 343 CB PRO A 23 -1.833 6.505 5.295 1.00 10.00 C ATOM 344 CG PRO A 23 -2.430 5.662 4.182 1.00 10.00 C ATOM 345 CD PRO A 23 -3.104 6.719 3.319 1.00 10.00 C ATOM 0 HA PRO A 23 -1.356 8.649 5.264 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -1.001 5.993 5.778 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.569 6.718 6.070 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.667 5.111 3.632 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.142 4.929 4.561 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.121 6.416 2.272 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.139 6.870 3.624 1.00 10.00 H new ATOM 353 N LYS A 24 1.040 8.393 4.659 1.00 10.00 N ATOM 354 CA LYS A 24 2.329 8.624 3.986 1.00 10.00 C ATOM 355 C LYS A 24 3.126 7.339 3.713 1.00 10.00 C ATOM 356 O LYS A 24 3.146 6.408 4.530 1.00 10.00 O ATOM 357 CB LYS A 24 3.218 9.617 4.747 1.00 10.00 C ATOM 358 CG LYS A 24 2.574 10.994 4.950 1.00 10.00 C ATOM 359 CD LYS A 24 3.615 11.952 5.549 1.00 10.00 C ATOM 360 CE LYS A 24 3.007 13.347 5.743 1.00 10.00 C ATOM 361 NZ LYS A 24 4.028 14.330 6.167 1.00 10.00 N ATOM 0 H LYS A 24 0.956 8.835 5.574 1.00 10.00 H new ATOM 0 HA LYS A 24 2.053 9.054 3.023 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.467 9.195 5.721 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.155 9.741 4.205 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.209 11.382 3.999 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.713 10.912 5.613 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.967 11.565 6.505 1.00 10.00 H new ATOM 0 HD3 LYS A 24 4.482 12.014 4.892 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.547 13.677 4.811 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.215 13.299 6.490 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.583 15.262 6.289 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.449 14.027 7.068 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.771 14.393 5.442 1.00 10.00 H new ATOM 375 N SER A 25 3.808 7.286 2.560 1.00 10.00 N ATOM 376 CA SER A 25 4.676 6.168 2.184 1.00 10.00 C ATOM 377 C SER A 25 5.691 5.792 3.274 1.00 10.00 C ATOM 378 O SER A 25 5.997 4.619 3.442 1.00 10.00 O ATOM 379 CB SER A 25 5.386 6.470 0.859 1.00 10.00 C ATOM 380 OG SER A 25 4.417 6.799 -0.116 1.00 10.00 O ATOM 0 H SER A 25 3.770 8.025 1.858 1.00 10.00 H new ATOM 0 HA SER A 25 4.031 5.298 2.060 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.087 7.295 0.987 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.966 5.605 0.537 1.00 10.00 H new ATOM 0 HG SER A 25 4.862 6.995 -0.967 1.00 10.00 H new ATOM 386 N HIS A 26 6.176 6.778 4.035 1.00 10.00 N ATOM 387 CA HIS A 26 6.928 6.570 5.265 1.00 10.00 C ATOM 388 C HIS A 26 6.249 7.356 6.396 1.00 10.00 C ATOM 389 O HIS A 26 6.111 8.575 6.332 1.00 10.00 O ATOM 390 CB HIS A 26 8.405 6.947 5.070 1.00 10.00 C ATOM 391 CG HIS A 26 8.653 8.415 4.827 1.00 10.00 C ATOM 392 ND1 HIS A 26 8.452 9.086 3.643 1.00 10.00 N ATOM 393 CD2 HIS A 26 9.050 9.335 5.762 1.00 10.00 C ATOM 394 CE1 HIS A 26 8.725 10.383 3.863 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.095 10.584 5.138 1.00 10.00 N ATOM 0 H HIS A 26 6.051 7.763 3.803 1.00 10.00 H new ATOM 0 HA HIS A 26 6.925 5.515 5.540 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.964 6.639 5.953 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.802 6.381 4.228 1.00 10.00 H new ATOM 0 HD2 HIS A 26 9.286 9.131 6.796 1.00 10.00 H new ATOM 0 HE1 HIS A 26 8.656 11.159 3.115 1.00 10.00 H new ATOM 0 HE2 HIS A 26 9.357 11.472 5.566 1.00 10.00 H new ATOM 403 N ASN A 27 5.773 6.638 7.409 1.00 10.00 N ATOM 404 CA ASN A 27 5.237 7.159 8.655 1.00 10.00 C ATOM 405 C ASN A 27 5.483 6.086 9.729 1.00 10.00 C ATOM 406 O ASN A 27 5.711 4.929 9.381 1.00 10.00 O ATOM 407 CB ASN A 27 3.727 7.423 8.472 1.00 10.00 C ATOM 408 CG ASN A 27 3.326 8.891 8.357 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.080 9.794 8.694 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.108 9.175 7.906 1.00 10.00 N ATOM 0 H ASN A 27 5.751 5.619 7.377 1.00 10.00 H new ATOM 0 HA ASN A 27 5.712 8.095 8.949 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.391 6.901 7.576 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.194 6.984 9.315 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.802 10.146 7.841 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.480 8.422 7.625 1.00 10.00 H new ATOM 417 N THR A 28 5.391 6.439 11.014 1.00 10.00 N ATOM 418 CA THR A 28 5.402 5.441 12.096 1.00 10.00 C ATOM 419 C THR A 28 4.025 5.334 12.764 1.00 10.00 C ATOM 420 O THR A 28 3.531 4.235 13.001 1.00 10.00 O ATOM 421 CB THR A 28 6.457 5.866 13.134 1.00 10.00 C ATOM 422 OG1 THR A 28 7.735 5.922 12.539 1.00 10.00 O ATOM 423 CG2 THR A 28 6.541 4.922 14.335 1.00 10.00 C ATOM 0 H THR A 28 5.308 7.404 11.334 1.00 10.00 H new ATOM 0 HA THR A 28 5.645 4.463 11.682 1.00 10.00 H new ATOM 0 HB THR A 28 6.140 6.846 13.491 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.396 6.195 13.209 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.303 5.280 15.027 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.577 4.892 14.842 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.803 3.921 13.993 1.00 10.00 H new ATOM 431 N ALA A 29 3.321 6.460 12.903 1.00 10.00 N ATOM 432 CA ALA A 29 2.038 6.516 13.605 1.00 10.00 C ATOM 433 C ALA A 29 0.852 6.123 12.718 1.00 10.00 C ATOM 434 O ALA A 29 -0.218 5.786 13.213 1.00 10.00 O ATOM 435 CB ALA A 29 1.846 7.926 14.148 1.00 10.00 C ATOM 0 H ALA A 29 3.626 7.360 12.531 1.00 10.00 H new ATOM 0 HA ALA A 29 2.065 5.788 14.415 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.894 7.986 14.675 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.657 8.165 14.836 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.850 8.638 13.322 1.00 10.00 H new ATOM 441 N ASP A 30 1.044 6.182 11.402 1.00 10.00 N ATOM 442 CA ASP A 30 0.065 5.817 10.395 1.00 10.00 C ATOM 443 C ASP A 30 0.082 4.296 10.161 1.00 10.00 C ATOM 444 O ASP A 30 -0.948 3.667 9.909 1.00 10.00 O ATOM 445 CB ASP A 30 0.501 6.603 9.161 1.00 10.00 C ATOM 446 CG ASP A 30 -0.586 6.949 8.187 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.698 6.374 8.284 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.202 7.779 7.329 1.00 10.00 O ATOM 0 H ASP A 30 1.925 6.499 10.997 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.962 6.052 10.677 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.974 7.528 9.491 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.262 6.025 8.636 1.00 10.00 H new ATOM 453 N TRP A 31 1.281 3.713 10.275 1.00 10.00 N ATOM 454 CA TRP A 31 1.559 2.289 10.164 1.00 10.00 C ATOM 455 C TRP A 31 1.274 1.549 11.488 1.00 10.00 C ATOM 456 O TRP A 31 0.670 0.474 11.452 1.00 10.00 O ATOM 457 CB TRP A 31 2.998 2.108 9.649 1.00 10.00 C ATOM 458 CG TRP A 31 3.261 2.605 8.246 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.395 3.900 7.876 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.379 1.851 7.000 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.557 4.018 6.516 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.520 2.781 5.922 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.340 0.480 6.657 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.546 2.384 4.585 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.326 0.076 5.306 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.380 1.030 4.284 1.00 10.00 C ATOM 0 H TRP A 31 2.124 4.257 10.457 1.00 10.00 H new ATOM 0 HA TRP A 31 0.885 1.829 9.441 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.675 2.624 10.330 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.249 1.048 9.692 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.377 4.734 8.562 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.686 4.899 6.019 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.321 -0.266 7.438 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.692 3.109 3.798 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.273 -0.974 5.059 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.293 0.717 3.254 1.00 10.00 H new ATOM 477 N GLU A 32 1.626 2.123 12.654 1.00 10.00 N ATOM 478 CA GLU A 32 1.307 1.552 13.976 1.00 10.00 C ATOM 479 C GLU A 32 -0.102 0.920 14.079 1.00 10.00 C ATOM 480 O GLU A 32 -0.217 -0.282 14.322 1.00 10.00 O ATOM 481 CB GLU A 32 1.514 2.609 15.079 1.00 10.00 C ATOM 482 CG GLU A 32 2.692 2.278 16.005 1.00 10.00 C ATOM 483 CD GLU A 32 2.837 3.313 17.113 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.907 3.373 17.945 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.860 4.030 17.093 1.00 10.00 O ATOM 0 H GLU A 32 2.143 3.001 12.705 1.00 10.00 H new ATOM 0 HA GLU A 32 2.003 0.726 14.118 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.683 3.582 14.617 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.603 2.692 15.672 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.545 1.291 16.444 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.613 2.234 15.423 1.00 10.00 H new ATOM 492 N PRO A 33 -1.190 1.686 13.860 1.00 10.00 N ATOM 493 CA PRO A 33 -2.558 1.193 13.986 1.00 10.00 C ATOM 494 C PRO A 33 -2.932 0.109 12.964 1.00 10.00 C ATOM 495 O PRO A 33 -3.997 -0.493 13.097 1.00 10.00 O ATOM 496 CB PRO A 33 -3.454 2.432 13.858 1.00 10.00 C ATOM 497 CG PRO A 33 -2.611 3.394 13.026 1.00 10.00 C ATOM 498 CD PRO A 33 -1.204 3.100 13.532 1.00 10.00 C ATOM 0 HA PRO A 33 -2.684 0.689 14.944 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.398 2.196 13.366 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.699 2.853 14.833 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.709 3.203 11.957 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.895 4.433 13.191 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.458 3.333 12.772 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.968 3.707 14.406 1.00 10.00 H new ATOM 506 N ARG A 34 -2.078 -0.167 11.969 1.00 10.00 N ATOM 507 CA ARG A 34 -2.229 -1.298 11.058 1.00 10.00 C ATOM 508 C ARG A 34 -1.388 -2.492 11.550 1.00 10.00 C ATOM 509 O ARG A 34 -1.935 -3.570 11.812 1.00 10.00 O ATOM 510 CB ARG A 34 -1.891 -0.848 9.626 1.00 10.00 C ATOM 511 CG ARG A 34 -3.052 -0.082 8.963 1.00 10.00 C ATOM 512 CD ARG A 34 -2.964 1.434 9.138 1.00 10.00 C ATOM 513 NE ARG A 34 -4.111 2.109 8.491 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.284 3.434 8.384 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.346 4.273 8.818 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.400 3.897 7.835 1.00 10.00 N ATOM 0 H ARG A 34 -1.253 0.400 11.776 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.262 -1.646 11.043 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -1.005 -0.213 9.647 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.643 -1.721 9.022 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -3.070 -0.316 7.899 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.995 -0.434 9.382 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -2.944 1.681 10.200 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.032 1.800 8.708 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.835 1.512 8.090 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.489 3.909 9.235 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -3.484 5.280 8.734 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.112 3.247 7.501 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -5.546 4.903 7.747 1.00 10.00 H new ATOM 530 N LEU A 35 -0.087 -2.272 11.788 1.00 10.00 N ATOM 531 CA LEU A 35 0.871 -3.265 12.298 1.00 10.00 C ATOM 532 C LEU A 35 0.421 -3.930 13.616 1.00 10.00 C ATOM 533 O LEU A 35 0.925 -4.981 14.000 1.00 10.00 O ATOM 534 CB LEU A 35 2.249 -2.599 12.504 1.00 10.00 C ATOM 535 CG LEU A 35 3.457 -3.388 11.963 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.741 -2.712 12.460 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.494 -4.874 12.337 1.00 10.00 C ATOM 0 H LEU A 35 0.344 -1.362 11.624 1.00 10.00 H new ATOM 0 HA LEU A 35 0.930 -4.055 11.549 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.234 -1.619 12.026 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.396 -2.431 13.571 1.00 10.00 H new ATOM 0 HG LEU A 35 3.366 -3.368 10.877 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.608 -3.258 12.086 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.775 -1.685 12.097 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.754 -2.713 13.550 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.383 -5.335 11.907 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.521 -4.976 13.422 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.604 -5.369 11.948 1.00 10.00 H new ATOM 549 N ALA A 36 -0.518 -3.297 14.325 1.00 10.00 N ATOM 550 CA ALA A 36 -1.025 -3.714 15.618 1.00 10.00 C ATOM 551 C ALA A 36 -2.064 -4.815 15.440 1.00 10.00 C ATOM 552 O ALA A 36 -2.200 -5.694 16.286 1.00 10.00 O ATOM 553 CB ALA A 36 -1.650 -2.503 16.315 1.00 10.00 C ATOM 0 H ALA A 36 -0.960 -2.441 13.990 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.210 -4.106 16.227 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.036 -2.803 17.289 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -0.894 -1.729 16.447 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.466 -2.114 15.706 1.00 10.00 H new ATOM 559 N LYS A 37 -2.812 -4.751 14.332 1.00 10.00 N ATOM 560 CA LYS A 37 -3.752 -5.795 13.980 1.00 10.00 C ATOM 561 C LYS A 37 -2.999 -6.917 13.257 1.00 10.00 C ATOM 562 O LYS A 37 -3.212 -8.094 13.528 1.00 10.00 O ATOM 563 CB LYS A 37 -4.911 -5.233 13.140 1.00 10.00 C ATOM 564 CG LYS A 37 -5.986 -4.497 13.955 1.00 10.00 C ATOM 565 CD LYS A 37 -5.462 -3.200 14.588 1.00 10.00 C ATOM 566 CE LYS A 37 -6.543 -2.430 15.356 1.00 10.00 C ATOM 567 NZ LYS A 37 -7.516 -1.785 14.451 1.00 10.00 N ATOM 0 H LYS A 37 -2.776 -3.978 13.667 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.202 -6.208 14.883 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.505 -4.549 12.395 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.381 -6.053 12.597 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.832 -4.265 13.308 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -6.356 -5.156 14.740 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -4.642 -3.438 15.266 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.053 -2.560 13.806 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.068 -3.113 16.024 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.072 -1.671 15.981 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.228 -1.276 15.013 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -7.021 -1.114 13.830 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -7.985 -2.510 13.872 1.00 10.00 H new ATOM 581 N GLY A 38 -2.152 -6.547 12.290 1.00 10.00 N ATOM 582 CA GLY A 38 -1.369 -7.489 11.499 1.00 10.00 C ATOM 583 C GLY A 38 -0.816 -6.817 10.240 1.00 10.00 C ATOM 584 O GLY A 38 -0.437 -5.650 10.273 1.00 10.00 O ATOM 0 H GLY A 38 -1.993 -5.572 12.036 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.547 -7.879 12.099 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.990 -8.340 11.219 1.00 10.00 H new ATOM 588 N VAL A 39 -0.774 -7.552 9.126 1.00 10.00 N ATOM 589 CA VAL A 39 -0.168 -7.099 7.872 1.00 10.00 C ATOM 590 C VAL A 39 -1.099 -7.428 6.701 1.00 10.00 C ATOM 591 O VAL A 39 -1.545 -6.566 5.943 1.00 10.00 O ATOM 592 CB VAL A 39 1.209 -7.780 7.718 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.961 -7.183 6.530 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.075 -7.640 8.978 1.00 10.00 C ATOM 0 H VAL A 39 -1.166 -8.492 9.069 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.023 -6.019 7.881 1.00 10.00 H new ATOM 0 HB VAL A 39 1.020 -8.841 7.554 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.931 -7.671 6.431 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.383 -7.337 5.619 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.107 -6.115 6.691 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.033 -8.136 8.818 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.244 -6.584 9.188 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.564 -8.101 9.823 1.00 10.00 H new ATOM 604 N ASP A 40 -1.430 -8.711 6.595 1.00 10.00 N ATOM 605 CA ASP A 40 -2.300 -9.314 5.599 1.00 10.00 C ATOM 606 C ASP A 40 -3.662 -8.586 5.531 1.00 10.00 C ATOM 607 O ASP A 40 -4.278 -8.456 4.476 1.00 10.00 O ATOM 608 CB ASP A 40 -2.404 -10.815 5.943 1.00 10.00 C ATOM 609 CG ASP A 40 -1.067 -11.395 6.390 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.648 -11.043 7.514 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.400 -12.048 5.560 1.00 10.00 O ATOM 0 H ASP A 40 -1.070 -9.404 7.251 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.893 -9.213 4.593 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -3.142 -10.955 6.733 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.763 -11.362 5.071 1.00 10.00 H new ATOM 616 N ASN A 41 -4.089 -8.025 6.665 1.00 10.00 N ATOM 617 CA ASN A 41 -5.288 -7.206 6.830 1.00 10.00 C ATOM 618 C ASN A 41 -5.343 -5.991 5.899 1.00 10.00 C ATOM 619 O ASN A 41 -6.414 -5.419 5.723 1.00 10.00 O ATOM 620 CB ASN A 41 -5.436 -6.685 8.275 1.00 10.00 C ATOM 621 CG ASN A 41 -4.701 -7.454 9.358 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.326 -6.742 10.402 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.434 -8.643 9.269 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.577 -8.138 7.540 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.104 -7.882 6.574 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.093 -5.651 8.300 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.497 -6.675 8.526 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.735 -9.173 8.451 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.910 -9.105 10.012 1.00 10.00 H new ATOM 630 N LEU A 42 -4.201 -5.561 5.364 1.00 10.00 N ATOM 631 CA LEU A 42 -4.090 -4.364 4.547 1.00 10.00 C ATOM 632 C LEU A 42 -3.980 -4.719 3.065 1.00 10.00 C ATOM 633 O LEU A 42 -4.692 -4.138 2.244 1.00 10.00 O ATOM 634 CB LEU A 42 -2.909 -3.531 5.048 1.00 10.00 C ATOM 635 CG LEU A 42 -3.102 -2.932 6.457 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.531 -2.424 6.701 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.659 -3.888 7.575 1.00 10.00 C ATOM 0 H LEU A 42 -3.313 -6.047 5.492 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.994 -3.762 4.642 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.016 -4.155 5.051 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.728 -2.719 4.343 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.443 -2.065 6.491 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.604 -2.014 7.708 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.770 -1.647 5.975 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.234 -3.250 6.593 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.818 -3.414 8.543 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.243 -4.807 7.521 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.601 -4.123 7.455 1.00 10.00 H new ATOM 649 N VAL A 43 -3.171 -5.727 2.716 1.00 10.00 N ATOM 650 CA VAL A 43 -3.151 -6.260 1.354 1.00 10.00 C ATOM 651 C VAL A 43 -4.564 -6.662 0.893 1.00 10.00 C ATOM 652 O VAL A 43 -4.934 -6.446 -0.264 1.00 10.00 O ATOM 653 CB VAL A 43 -2.090 -7.366 1.205 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.549 -8.763 1.622 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.600 -7.439 -0.242 1.00 10.00 C ATOM 0 H VAL A 43 -2.525 -6.187 3.358 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.840 -5.472 0.668 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.294 -7.076 1.891 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.733 -9.471 1.481 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.842 -8.752 2.672 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.400 -9.064 1.011 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.850 -8.225 -0.333 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.440 -7.661 -0.900 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -1.160 -6.483 -0.526 1.00 10.00 H new ATOM 665 N LYS A 44 -5.410 -7.154 1.814 1.00 10.00 N ATOM 666 CA LYS A 44 -6.831 -7.300 1.492 1.00 10.00 C ATOM 667 C LYS A 44 -7.528 -5.979 1.103 1.00 10.00 C ATOM 668 O LYS A 44 -8.200 -5.925 0.078 1.00 10.00 O ATOM 669 CB LYS A 44 -7.608 -8.103 2.541 1.00 10.00 C ATOM 670 CG LYS A 44 -7.448 -7.515 3.935 1.00 10.00 C ATOM 671 CD LYS A 44 -8.610 -7.856 4.868 1.00 10.00 C ATOM 672 CE LYS A 44 -9.660 -6.753 4.728 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.915 -7.102 5.428 1.00 10.00 N ATOM 0 H LYS A 44 -5.144 -7.447 2.754 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.848 -7.901 0.583 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.665 -8.123 2.274 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.259 -9.136 2.540 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.519 -7.881 4.373 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.358 -6.431 3.857 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.037 -8.825 4.609 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.264 -7.926 5.899 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.265 -5.821 5.132 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.868 -6.580 3.672 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.603 -6.331 5.311 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.305 -7.978 5.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.721 -7.242 6.440 1.00 10.00 H new ATOM 687 N SER A 45 -7.368 -4.896 1.870 1.00 10.00 N ATOM 688 CA SER A 45 -8.005 -3.619 1.550 1.00 10.00 C ATOM 689 C SER A 45 -7.483 -3.090 0.212 1.00 10.00 C ATOM 690 O SER A 45 -8.233 -2.517 -0.579 1.00 10.00 O ATOM 691 CB SER A 45 -7.786 -2.603 2.676 1.00 10.00 C ATOM 692 OG SER A 45 -8.543 -2.977 3.814 1.00 10.00 O ATOM 0 H SER A 45 -6.801 -4.880 2.718 1.00 10.00 H new ATOM 0 HA SER A 45 -9.079 -3.777 1.457 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.728 -2.553 2.932 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.081 -1.608 2.343 1.00 10.00 H new ATOM 0 HG SER A 45 -8.398 -2.325 4.532 1.00 10.00 H new ATOM 698 N VAL A 46 -6.200 -3.337 -0.063 1.00 10.00 N ATOM 699 CA VAL A 46 -5.599 -3.014 -1.344 1.00 10.00 C ATOM 700 C VAL A 46 -6.335 -3.716 -2.490 1.00 10.00 C ATOM 701 O VAL A 46 -6.812 -3.053 -3.410 1.00 10.00 O ATOM 702 CB VAL A 46 -4.090 -3.271 -1.295 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.427 -3.318 -2.675 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.374 -2.249 -0.407 1.00 10.00 C ATOM 0 H VAL A 46 -5.555 -3.766 0.601 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.713 -1.950 -1.553 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.985 -4.264 -0.859 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.359 -3.504 -2.559 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.873 -4.118 -3.266 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.577 -2.365 -3.183 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.305 -2.462 -0.396 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.540 -1.246 -0.800 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.767 -2.310 0.608 1.00 10.00 H new ATOM 714 N LYS A 47 -6.483 -5.042 -2.416 1.00 10.00 N ATOM 715 CA LYS A 47 -7.206 -5.804 -3.439 1.00 10.00 C ATOM 716 C LYS A 47 -8.681 -5.390 -3.550 1.00 10.00 C ATOM 717 O LYS A 47 -9.236 -5.342 -4.644 1.00 10.00 O ATOM 718 CB LYS A 47 -6.952 -7.305 -3.245 1.00 10.00 C ATOM 719 CG LYS A 47 -8.020 -8.070 -2.448 1.00 10.00 C ATOM 720 CD LYS A 47 -7.374 -9.161 -1.586 1.00 10.00 C ATOM 721 CE LYS A 47 -7.202 -10.507 -2.296 1.00 10.00 C ATOM 722 NZ LYS A 47 -6.574 -11.503 -1.395 1.00 10.00 N ATOM 0 H LYS A 47 -6.111 -5.611 -1.656 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.811 -5.557 -4.424 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.859 -7.768 -4.227 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.993 -7.429 -2.742 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.573 -7.378 -1.813 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.740 -8.519 -3.132 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -6.397 -8.812 -1.252 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.982 -9.310 -0.693 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -8.173 -10.873 -2.630 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.587 -10.377 -3.186 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -6.467 -12.407 -1.898 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -5.638 -11.160 -1.097 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -7.175 -11.641 -0.558 1.00 10.00 H new ATOM 736 N THR A 48 -9.291 -5.013 -2.424 1.00 10.00 N ATOM 737 CA THR A 48 -10.702 -4.627 -2.360 1.00 10.00 C ATOM 738 C THR A 48 -10.964 -3.263 -3.010 1.00 10.00 C ATOM 739 O THR A 48 -12.033 -3.065 -3.581 1.00 10.00 O ATOM 740 CB THR A 48 -11.158 -4.610 -0.892 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.010 -5.901 -0.341 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.627 -4.215 -0.711 1.00 10.00 C ATOM 0 H THR A 48 -8.815 -4.967 -1.523 1.00 10.00 H new ATOM 0 HA THR A 48 -11.275 -5.363 -2.923 1.00 10.00 H new ATOM 0 HB THR A 48 -10.537 -3.865 -0.394 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.065 -6.064 -0.138 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.878 -4.224 0.350 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.787 -3.214 -1.113 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.263 -4.925 -1.241 1.00 10.00 H new ATOM 750 N GLY A 49 -10.017 -2.317 -2.931 1.00 10.00 N ATOM 751 CA GLY A 49 -10.254 -0.958 -3.411 1.00 10.00 C ATOM 752 C GLY A 49 -11.013 -0.113 -2.384 1.00 10.00 C ATOM 753 O GLY A 49 -12.234 -0.185 -2.263 1.00 10.00 O ATOM 0 H GLY A 49 -9.087 -2.471 -2.541 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.300 -0.482 -3.639 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.822 -0.995 -4.341 1.00 10.00 H new ATOM 757 N LEU A 50 -10.271 0.691 -1.627 1.00 10.00 N ATOM 758 CA LEU A 50 -10.813 1.652 -0.672 1.00 10.00 C ATOM 759 C LEU A 50 -11.562 2.786 -1.392 1.00 10.00 C ATOM 760 O LEU A 50 -11.472 2.954 -2.601 1.00 10.00 O ATOM 761 CB LEU A 50 -9.631 2.201 0.133 1.00 10.00 C ATOM 762 CG LEU A 50 -9.815 2.449 1.633 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.038 1.147 2.411 1.00 10.00 C ATOM 764 CD2 LEU A 50 -8.490 3.050 2.108 1.00 10.00 C ATOM 0 H LEU A 50 -9.252 0.692 -1.662 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.536 1.170 -0.014 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.798 1.508 0.012 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.330 3.144 -0.323 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.683 3.087 1.800 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.163 1.373 3.470 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.933 0.649 2.038 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -9.177 0.492 2.279 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -8.546 3.255 3.177 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -7.681 2.345 1.916 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -8.298 3.978 1.570 1.00 10.00 H new ATOM 776 N ASN A 51 -12.275 3.619 -0.642 1.00 10.00 N ATOM 777 CA ASN A 51 -13.188 4.632 -1.197 1.00 10.00 C ATOM 778 C ASN A 51 -12.506 5.523 -2.237 1.00 10.00 C ATOM 779 O ASN A 51 -12.914 5.611 -3.392 1.00 10.00 O ATOM 780 CB ASN A 51 -13.768 5.507 -0.076 1.00 10.00 C ATOM 781 CG ASN A 51 -14.158 4.639 1.102 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.205 4.452 2.004 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.230 4.055 1.152 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.241 3.616 0.377 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.992 4.090 -1.696 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.033 6.250 0.235 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.638 6.053 -0.441 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.938 4.227 0.438 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.417 3.396 1.908 1.00 10.00 H new ATOM 790 N ALA A 52 -11.434 6.165 -1.781 1.00 10.00 N ATOM 791 CA ALA A 52 -10.521 6.955 -2.589 1.00 10.00 C ATOM 792 C ALA A 52 -9.277 6.154 -3.022 1.00 10.00 C ATOM 793 O ALA A 52 -8.269 6.763 -3.379 1.00 10.00 O ATOM 794 CB ALA A 52 -10.164 8.203 -1.776 1.00 10.00 C ATOM 0 H ALA A 52 -11.170 6.146 -0.796 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.999 7.244 -3.525 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.477 8.826 -2.349 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.071 8.767 -1.559 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.689 7.905 -0.841 1.00 10.00 H new ATOM 800 N MET A 53 -9.335 4.807 -3.018 1.00 10.00 N ATOM 801 CA MET A 53 -8.258 3.971 -3.574 1.00 10.00 C ATOM 802 C MET A 53 -8.736 2.955 -4.640 1.00 10.00 C ATOM 803 O MET A 53 -9.588 2.118 -4.352 1.00 10.00 O ATOM 804 CB MET A 53 -7.505 3.254 -2.446 1.00 10.00 C ATOM 805 CG MET A 53 -6.200 2.686 -3.008 1.00 10.00 C ATOM 806 SD MET A 53 -5.010 1.924 -1.884 1.00 10.00 S ATOM 807 CE MET A 53 -5.968 0.575 -1.175 1.00 10.00 C ATOM 0 H MET A 53 -10.118 4.277 -2.635 1.00 10.00 H new ATOM 0 HA MET A 53 -7.585 4.652 -4.094 1.00 10.00 H new ATOM 0 HB2 MET A 53 -7.295 3.948 -1.632 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.118 2.453 -2.032 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.464 1.942 -3.759 1.00 10.00 H new ATOM 0 HG3 MET A 53 -5.688 3.496 -3.528 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.322 -0.039 -0.547 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.780 0.983 -0.572 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.383 -0.037 -1.976 1.00 10.00 H new ATOM 817 N PRO A 54 -8.160 2.940 -5.856 1.00 10.00 N ATOM 818 CA PRO A 54 -8.557 1.984 -6.885 1.00 10.00 C ATOM 819 C PRO A 54 -8.300 0.528 -6.448 1.00 10.00 C ATOM 820 O PRO A 54 -7.394 0.270 -5.651 1.00 10.00 O ATOM 821 CB PRO A 54 -7.760 2.369 -8.138 1.00 10.00 C ATOM 822 CG PRO A 54 -6.532 3.075 -7.570 1.00 10.00 C ATOM 823 CD PRO A 54 -7.064 3.775 -6.327 1.00 10.00 C ATOM 0 HA PRO A 54 -9.629 2.027 -7.077 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.485 1.493 -8.725 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.333 3.024 -8.794 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.741 2.367 -7.324 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.113 3.786 -8.282 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.288 3.871 -5.567 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.409 4.782 -6.560 1.00 10.00 H new ATOM 831 N PRO A 55 -9.094 -0.431 -6.953 1.00 10.00 N ATOM 832 CA PRO A 55 -8.981 -1.835 -6.584 1.00 10.00 C ATOM 833 C PRO A 55 -7.608 -2.385 -6.968 1.00 10.00 C ATOM 834 O PRO A 55 -7.030 -1.999 -7.984 1.00 10.00 O ATOM 835 CB PRO A 55 -10.147 -2.541 -7.285 1.00 10.00 C ATOM 836 CG PRO A 55 -10.399 -1.662 -8.509 1.00 10.00 C ATOM 837 CD PRO A 55 -10.106 -0.256 -7.985 1.00 10.00 C ATOM 0 HA PRO A 55 -9.048 -1.996 -5.508 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.889 -3.562 -7.568 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.026 -2.601 -6.644 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -9.745 -1.928 -9.339 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -11.424 -1.754 -8.868 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.745 0.393 -8.783 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.005 0.207 -7.579 1.00 10.00 H new ATOM 845 N GLY A 56 -7.034 -3.219 -6.095 1.00 10.00 N ATOM 846 CA GLY A 56 -5.652 -3.659 -6.236 1.00 10.00 C ATOM 847 C GLY A 56 -4.655 -2.499 -6.195 1.00 10.00 C ATOM 848 O GLY A 56 -3.607 -2.554 -6.831 1.00 10.00 O ATOM 0 H GLY A 56 -7.513 -3.602 -5.280 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.416 -4.363 -5.438 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.540 -4.195 -7.178 1.00 10.00 H new ATOM 852 N GLY A 57 -4.975 -1.429 -5.459 1.00 10.00 N ATOM 853 CA GLY A 57 -4.137 -0.236 -5.338 1.00 10.00 C ATOM 854 C GLY A 57 -3.572 0.278 -6.671 1.00 10.00 C ATOM 855 O GLY A 57 -2.444 0.763 -6.701 1.00 10.00 O ATOM 0 H GLY A 57 -5.840 -1.369 -4.922 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.721 0.559 -4.874 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.308 -0.456 -4.666 1.00 10.00 H new ATOM 859 N MET A 58 -4.363 0.175 -7.750 1.00 10.00 N ATOM 860 CA MET A 58 -4.051 0.606 -9.114 1.00 10.00 C ATOM 861 C MET A 58 -3.263 -0.425 -9.952 1.00 10.00 C ATOM 862 O MET A 58 -2.785 -0.098 -11.039 1.00 10.00 O ATOM 863 CB MET A 58 -3.399 2.003 -9.116 1.00 10.00 C ATOM 864 CG MET A 58 -3.903 2.853 -10.285 1.00 10.00 C ATOM 865 SD MET A 58 -3.041 4.435 -10.483 1.00 10.00 S ATOM 866 CE MET A 58 -4.437 5.514 -10.846 1.00 10.00 C ATOM 0 H MET A 58 -5.294 -0.237 -7.685 1.00 10.00 H new ATOM 0 HA MET A 58 -5.008 0.680 -9.630 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.617 2.509 -8.176 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.316 1.900 -9.179 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.801 2.279 -11.206 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.967 3.047 -10.146 1.00 10.00 H new ATOM 0 HE1 MET A 58 -4.080 6.533 -10.996 1.00 10.00 H new ATOM 0 HE2 MET A 58 -4.939 5.168 -11.750 1.00 10.00 H new ATOM 0 HE3 MET A 58 -5.138 5.495 -10.012 1.00 10.00 H new ATOM 876 N CYS A 59 -3.155 -1.676 -9.488 1.00 10.00 N ATOM 877 CA CYS A 59 -2.603 -2.799 -10.247 1.00 10.00 C ATOM 878 C CYS A 59 -3.694 -3.778 -10.721 1.00 10.00 C ATOM 879 O CYS A 59 -4.822 -3.766 -10.239 1.00 10.00 O ATOM 880 CB CYS A 59 -1.617 -3.577 -9.371 1.00 10.00 C ATOM 881 SG CYS A 59 0.097 -3.030 -9.244 1.00 10.00 S ATOM 0 H CYS A 59 -3.458 -1.939 -8.550 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.109 -2.378 -11.123 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -2.027 -3.598 -8.361 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.604 -4.606 -9.732 1.00 10.00 H new ATOM 886 N THR A 60 -3.290 -4.672 -11.631 1.00 10.00 N ATOM 887 CA THR A 60 -4.069 -5.819 -12.116 1.00 10.00 C ATOM 888 C THR A 60 -3.217 -7.094 -12.071 1.00 10.00 C ATOM 889 O THR A 60 -3.642 -8.118 -11.548 1.00 10.00 O ATOM 890 CB THR A 60 -4.570 -5.545 -13.545 1.00 10.00 C ATOM 891 OG1 THR A 60 -5.358 -4.374 -13.552 1.00 10.00 O ATOM 892 CG2 THR A 60 -5.420 -6.694 -14.094 1.00 10.00 C ATOM 0 H THR A 60 -2.371 -4.614 -12.069 1.00 10.00 H new ATOM 0 HA THR A 60 -4.934 -5.964 -11.469 1.00 10.00 H new ATOM 0 HB THR A 60 -3.689 -5.434 -14.177 1.00 10.00 H new ATOM 0 HG1 THR A 60 -5.675 -4.199 -14.462 1.00 10.00 H new ATOM 0 HG21 THR A 60 -5.749 -6.452 -15.105 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.827 -7.608 -14.114 1.00 10.00 H new ATOM 0 HG23 THR A 60 -6.290 -6.841 -13.454 1.00 10.00 H new ATOM 900 N ASP A 61 -2.000 -7.011 -12.621 1.00 10.00 N ATOM 901 CA ASP A 61 -1.065 -8.122 -12.779 1.00 10.00 C ATOM 902 C ASP A 61 -0.306 -8.454 -11.472 1.00 10.00 C ATOM 903 O ASP A 61 0.075 -9.594 -11.221 1.00 10.00 O ATOM 904 CB ASP A 61 -0.118 -7.711 -13.922 1.00 10.00 C ATOM 905 CG ASP A 61 0.306 -8.893 -14.774 1.00 10.00 C ATOM 906 OD1 ASP A 61 -0.607 -9.529 -15.339 1.00 10.00 O ATOM 907 OD2 ASP A 61 1.530 -9.094 -14.894 1.00 10.00 O ATOM 0 H ASP A 61 -1.629 -6.132 -12.981 1.00 10.00 H new ATOM 0 HA ASP A 61 -1.593 -9.045 -13.018 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.612 -6.971 -14.552 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.767 -7.232 -13.503 1.00 10.00 H new ATOM 912 N CYS A 62 -0.096 -7.431 -10.636 1.00 10.00 N ATOM 913 CA CYS A 62 0.581 -7.501 -9.340 1.00 10.00 C ATOM 914 C CYS A 62 -0.075 -8.549 -8.426 1.00 10.00 C ATOM 915 O CYS A 62 -1.272 -8.467 -8.153 1.00 10.00 O ATOM 916 CB CYS A 62 0.575 -6.098 -8.709 1.00 10.00 C ATOM 917 SG CYS A 62 1.116 -4.784 -9.842 1.00 10.00 S ATOM 0 H CYS A 62 -0.410 -6.486 -10.858 1.00 10.00 H new ATOM 0 HA CYS A 62 1.613 -7.823 -9.478 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.432 -5.871 -8.359 1.00 10.00 H new ATOM 0 HB3 CYS A 62 1.224 -6.100 -7.833 1.00 10.00 H new ATOM 922 N THR A 63 0.706 -9.530 -7.971 1.00 10.00 N ATOM 923 CA THR A 63 0.287 -10.670 -7.156 1.00 10.00 C ATOM 924 C THR A 63 0.699 -10.436 -5.695 1.00 10.00 C ATOM 925 O THR A 63 1.558 -9.601 -5.421 1.00 10.00 O ATOM 926 CB THR A 63 0.950 -11.939 -7.729 1.00 10.00 C ATOM 927 OG1 THR A 63 0.745 -12.007 -9.124 1.00 10.00 O ATOM 928 CG2 THR A 63 0.373 -13.239 -7.162 1.00 10.00 C ATOM 0 H THR A 63 1.705 -9.551 -8.173 1.00 10.00 H new ATOM 0 HA THR A 63 -0.796 -10.790 -7.181 1.00 10.00 H new ATOM 0 HB THR A 63 2.002 -11.857 -7.457 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.171 -12.815 -9.478 1.00 10.00 H new ATOM 0 HG21 THR A 63 0.886 -14.090 -7.609 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.513 -13.258 -6.081 1.00 10.00 H new ATOM 0 HG23 THR A 63 -0.691 -13.295 -7.391 1.00 10.00 H new ATOM 936 N ASP A 64 0.114 -11.160 -4.731 1.00 10.00 N ATOM 937 CA ASP A 64 0.472 -11.084 -3.318 1.00 10.00 C ATOM 938 C ASP A 64 1.992 -11.087 -3.065 1.00 10.00 C ATOM 939 O ASP A 64 2.484 -10.271 -2.286 1.00 10.00 O ATOM 940 CB ASP A 64 -0.239 -12.227 -2.588 1.00 10.00 C ATOM 941 CG ASP A 64 -1.622 -11.826 -2.093 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.676 -11.220 -1.002 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.606 -12.125 -2.805 1.00 10.00 O ATOM 0 H ASP A 64 -0.635 -11.826 -4.921 1.00 10.00 H new ATOM 0 HA ASP A 64 0.140 -10.123 -2.925 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.329 -13.082 -3.258 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.368 -12.548 -1.742 1.00 10.00 H new ATOM 948 N GLU A 65 2.737 -11.968 -3.742 1.00 10.00 N ATOM 949 CA GLU A 65 4.199 -12.014 -3.684 1.00 10.00 C ATOM 950 C GLU A 65 4.836 -10.631 -3.920 1.00 10.00 C ATOM 951 O GLU A 65 5.761 -10.245 -3.205 1.00 10.00 O ATOM 952 CB GLU A 65 4.741 -13.111 -4.624 1.00 10.00 C ATOM 953 CG GLU A 65 4.233 -13.038 -6.077 1.00 10.00 C ATOM 954 CD GLU A 65 4.813 -14.128 -6.976 1.00 10.00 C ATOM 955 OE1 GLU A 65 5.979 -14.515 -6.738 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.061 -14.581 -7.865 1.00 10.00 O ATOM 0 H GLU A 65 2.334 -12.678 -4.353 1.00 10.00 H new ATOM 0 HA GLU A 65 4.494 -12.289 -2.672 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.829 -13.054 -4.633 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.476 -14.084 -4.211 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.146 -13.116 -6.079 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.483 -12.062 -6.493 1.00 10.00 H new ATOM 963 N ASP A 66 4.291 -9.855 -4.860 1.00 10.00 N ATOM 964 CA ASP A 66 4.760 -8.513 -5.168 1.00 10.00 C ATOM 965 C ASP A 66 4.132 -7.472 -4.218 1.00 10.00 C ATOM 966 O ASP A 66 4.819 -6.595 -3.697 1.00 10.00 O ATOM 967 CB ASP A 66 4.495 -8.193 -6.648 1.00 10.00 C ATOM 968 CG ASP A 66 4.474 -9.394 -7.572 1.00 10.00 C ATOM 969 OD1 ASP A 66 5.553 -9.998 -7.737 1.00 10.00 O ATOM 970 OD2 ASP A 66 3.372 -9.667 -8.094 1.00 10.00 O ATOM 0 H ASP A 66 3.501 -10.151 -5.433 1.00 10.00 H new ATOM 0 HA ASP A 66 5.837 -8.466 -5.006 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.538 -7.677 -6.726 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.260 -7.500 -6.996 1.00 10.00 H new ATOM 975 N TYR A 67 2.822 -7.565 -3.957 1.00 10.00 N ATOM 976 CA TYR A 67 2.131 -6.624 -3.066 1.00 10.00 C ATOM 977 C TYR A 67 2.742 -6.600 -1.658 1.00 10.00 C ATOM 978 O TYR A 67 3.042 -5.532 -1.126 1.00 10.00 O ATOM 979 CB TYR A 67 0.638 -6.942 -2.940 1.00 10.00 C ATOM 980 CG TYR A 67 -0.254 -6.578 -4.109 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.419 -5.226 -4.466 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.128 -7.544 -4.638 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.334 -4.871 -5.475 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.068 -7.182 -5.615 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.128 -5.860 -6.076 1.00 10.00 C ATOM 986 OH TYR A 67 -2.971 -5.550 -7.096 1.00 10.00 O ATOM 0 H TYR A 67 2.217 -8.285 -4.352 1.00 10.00 H new ATOM 0 HA TYR A 67 2.256 -5.645 -3.528 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.536 -8.012 -2.759 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.258 -6.431 -2.055 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.157 -4.461 -3.966 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.076 -8.566 -4.292 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.425 -3.841 -5.786 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -2.746 -7.923 -6.012 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.280 -4.626 -6.995 1.00 10.00 H new ATOM 996 N LYS A 68 2.930 -7.770 -1.042 1.00 10.00 N ATOM 997 CA LYS A 68 3.516 -7.884 0.294 1.00 10.00 C ATOM 998 C LYS A 68 4.912 -7.258 0.309 1.00 10.00 C ATOM 999 O LYS A 68 5.213 -6.418 1.153 1.00 10.00 O ATOM 1000 CB LYS A 68 3.502 -9.336 0.797 1.00 10.00 C ATOM 1001 CG LYS A 68 2.303 -9.551 1.731 1.00 10.00 C ATOM 1002 CD LYS A 68 2.112 -11.044 2.019 1.00 10.00 C ATOM 1003 CE LYS A 68 1.138 -11.293 3.178 1.00 10.00 C ATOM 1004 NZ LYS A 68 1.754 -11.073 4.504 1.00 10.00 N ATOM 0 H LYS A 68 2.679 -8.667 -1.458 1.00 10.00 H new ATOM 0 HA LYS A 68 2.901 -7.324 0.998 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.444 -10.023 -0.048 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.430 -9.557 1.325 1.00 10.00 H new ATOM 0 HG2 LYS A 68 2.460 -9.011 2.665 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.401 -9.144 1.275 1.00 10.00 H new ATOM 0 HD2 LYS A 68 1.741 -11.540 1.122 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.077 -11.493 2.255 1.00 10.00 H new ATOM 0 HE2 LYS A 68 0.276 -10.635 3.070 1.00 10.00 H new ATOM 0 HE3 LYS A 68 0.767 -12.316 3.121 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 1.142 -11.476 5.242 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.685 -11.535 4.535 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 1.868 -10.053 4.669 1.00 10.00 H new ATOM 1018 N ALA A 69 5.726 -7.585 -0.694 1.00 10.00 N ATOM 1019 CA ALA A 69 6.997 -6.910 -0.911 1.00 10.00 C ATOM 1020 C ALA A 69 6.847 -5.375 -1.049 1.00 10.00 C ATOM 1021 O ALA A 69 7.701 -4.597 -0.625 1.00 10.00 O ATOM 1022 CB ALA A 69 7.669 -7.543 -2.120 1.00 10.00 C ATOM 0 H ALA A 69 5.522 -8.319 -1.372 1.00 10.00 H new ATOM 0 HA ALA A 69 7.629 -7.043 -0.033 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.625 -7.053 -2.303 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.835 -8.603 -1.930 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.029 -7.427 -2.994 1.00 10.00 H new ATOM 1028 N ALA A 70 5.747 -4.907 -1.641 1.00 10.00 N ATOM 1029 CA ALA A 70 5.505 -3.483 -1.869 1.00 10.00 C ATOM 1030 C ALA A 70 5.154 -2.757 -0.563 1.00 10.00 C ATOM 1031 O ALA A 70 5.656 -1.663 -0.311 1.00 10.00 O ATOM 1032 CB ALA A 70 4.452 -3.288 -2.966 1.00 10.00 C ATOM 0 H ALA A 70 4.995 -5.509 -1.977 1.00 10.00 H new ATOM 0 HA ALA A 70 6.427 -3.024 -2.227 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.284 -2.223 -3.123 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.804 -3.741 -3.893 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.519 -3.762 -2.663 1.00 10.00 H new ATOM 1038 N ILE A 71 4.333 -3.368 0.299 1.00 10.00 N ATOM 1039 CA ILE A 71 4.013 -2.804 1.597 1.00 10.00 C ATOM 1040 C ILE A 71 5.160 -2.960 2.609 1.00 10.00 C ATOM 1041 O ILE A 71 5.393 -2.076 3.440 1.00 10.00 O ATOM 1042 CB ILE A 71 2.679 -3.381 2.080 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.613 -4.904 2.195 1.00 10.00 C ATOM 1044 CG2 ILE A 71 1.548 -2.877 1.175 1.00 10.00 C ATOM 1045 CD1 ILE A 71 1.540 -5.372 3.178 1.00 10.00 C ATOM 0 H ILE A 71 3.879 -4.261 0.110 1.00 10.00 H new ATOM 0 HA ILE A 71 3.894 -1.725 1.499 1.00 10.00 H new ATOM 0 HB ILE A 71 2.568 -3.022 3.103 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.412 -5.331 1.212 1.00 10.00 H new ATOM 0 HG13 ILE A 71 3.584 -5.283 2.514 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.598 -3.287 1.518 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.509 -1.788 1.214 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.733 -3.197 0.150 1.00 10.00 H new ATOM 0 HD11 ILE A 71 1.536 -6.461 3.221 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.754 -4.970 4.168 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.564 -5.019 2.846 1.00 10.00 H new ATOM 1057 N GLU A 72 5.925 -4.052 2.516 1.00 10.00 N ATOM 1058 CA GLU A 72 7.112 -4.228 3.345 1.00 10.00 C ATOM 1059 C GLU A 72 8.226 -3.256 2.933 1.00 10.00 C ATOM 1060 O GLU A 72 8.954 -2.783 3.802 1.00 10.00 O ATOM 1061 CB GLU A 72 7.556 -5.697 3.409 1.00 10.00 C ATOM 1062 CG GLU A 72 8.585 -6.029 2.325 1.00 10.00 C ATOM 1063 CD GLU A 72 8.984 -7.499 2.249 1.00 10.00 C ATOM 1064 OE1 GLU A 72 8.541 -8.267 3.129 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.725 -7.821 1.296 1.00 10.00 O ATOM 0 H GLU A 72 5.741 -4.824 1.875 1.00 10.00 H new ATOM 0 HA GLU A 72 6.853 -3.967 4.371 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.982 -5.905 4.390 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.687 -6.345 3.295 1.00 10.00 H new ATOM 0 HG2 GLU A 72 8.184 -5.726 1.358 1.00 10.00 H new ATOM 0 HG3 GLU A 72 9.481 -5.433 2.499 1.00 10.00 H new ATOM 1072 N PHE A 73 8.339 -2.900 1.639 1.00 10.00 N ATOM 1073 CA PHE A 73 9.279 -1.854 1.219 1.00 10.00 C ATOM 1074 C PHE A 73 9.145 -0.603 2.098 1.00 10.00 C ATOM 1075 O PHE A 73 10.129 -0.044 2.576 1.00 10.00 O ATOM 1076 CB PHE A 73 9.056 -1.486 -0.255 1.00 10.00 C ATOM 1077 CG PHE A 73 10.086 -0.509 -0.795 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.036 0.855 -0.440 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.142 -0.976 -1.597 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.048 1.735 -0.860 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.137 -0.089 -2.043 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.080 1.271 -1.692 1.00 10.00 C ATOM 0 H PHE A 73 7.799 -3.316 0.880 1.00 10.00 H new ATOM 0 HA PHE A 73 10.288 -2.249 1.336 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.078 -2.395 -0.856 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.062 -1.054 -0.367 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.216 1.225 0.158 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.189 -2.020 -1.871 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.032 2.767 -0.543 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.947 -0.453 -2.657 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.828 1.957 -2.061 1.00 10.00 H new ATOM 1092 N MET A 74 7.899 -0.159 2.290 1.00 10.00 N ATOM 1093 CA MET A 74 7.583 1.002 3.102 1.00 10.00 C ATOM 1094 C MET A 74 7.775 0.730 4.600 1.00 10.00 C ATOM 1095 O MET A 74 8.443 1.502 5.282 1.00 10.00 O ATOM 1096 CB MET A 74 6.153 1.445 2.796 1.00 10.00 C ATOM 1097 CG MET A 74 6.061 2.112 1.414 1.00 10.00 C ATOM 1098 SD MET A 74 4.434 2.734 0.901 1.00 10.00 S ATOM 1099 CE MET A 74 3.586 1.227 0.386 1.00 10.00 C ATOM 0 H MET A 74 7.079 -0.605 1.879 1.00 10.00 H new ATOM 0 HA MET A 74 8.276 1.805 2.849 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.487 0.583 2.832 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.814 2.142 3.562 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.763 2.945 1.393 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.398 1.392 0.668 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.162 1.370 -0.608 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.296 0.400 0.362 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.787 0.999 1.092 1.00 10.00 H new ATOM 1109 N SER A 75 7.176 -0.351 5.116 1.00 10.00 N ATOM 1110 CA SER A 75 7.415 -0.775 6.497 1.00 10.00 C ATOM 1111 C SER A 75 7.177 -2.279 6.667 1.00 10.00 C ATOM 1112 O SER A 75 8.133 -3.043 6.750 1.00 10.00 O ATOM 1113 CB SER A 75 6.592 0.092 7.473 1.00 10.00 C ATOM 1114 OG SER A 75 7.434 0.864 8.306 1.00 10.00 O ATOM 0 H SER A 75 6.526 -0.944 4.599 1.00 10.00 H new ATOM 0 HA SER A 75 8.465 -0.615 6.743 1.00 10.00 H new ATOM 0 HB2 SER A 75 5.931 0.750 6.910 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.958 -0.548 8.086 1.00 10.00 H new ATOM 0 HG SER A 75 6.887 1.405 8.913 1.00 10.00 H new ATOM 1120 N LYS A 76 5.902 -2.685 6.778 1.00 10.00 N ATOM 1121 CA LYS A 76 5.393 -4.031 7.023 1.00 10.00 C ATOM 1122 C LYS A 76 3.935 -3.979 7.528 1.00 10.00 C ATOM 1123 O LYS A 76 3.595 -4.636 8.508 1.00 10.00 O ATOM 1124 CB LYS A 76 6.300 -4.815 7.987 1.00 10.00 C ATOM 1125 CG LYS A 76 6.600 -4.095 9.314 1.00 10.00 C ATOM 1126 CD LYS A 76 7.771 -4.742 10.068 1.00 10.00 C ATOM 1127 CE LYS A 76 7.396 -6.098 10.685 1.00 10.00 C ATOM 1128 NZ LYS A 76 7.696 -6.135 12.133 1.00 10.00 N ATOM 0 H LYS A 76 5.138 -2.015 6.690 1.00 10.00 H new ATOM 0 HA LYS A 76 5.400 -4.569 6.075 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.831 -5.774 8.207 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.243 -5.030 7.484 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.831 -3.049 9.114 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.711 -4.110 9.944 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.609 -4.877 9.384 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.108 -4.069 10.856 1.00 10.00 H new ATOM 0 HE2 LYS A 76 6.335 -6.290 10.527 1.00 10.00 H new ATOM 0 HE3 LYS A 76 7.943 -6.893 10.178 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.431 -7.064 12.519 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.713 -5.976 12.281 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 7.155 -5.391 12.619 1.00 10.00 H new ATOM 1142 N ALA A 77 3.070 -3.192 6.869 1.00 10.00 N ATOM 1143 CA ALA A 77 1.642 -3.123 7.193 1.00 10.00 C ATOM 1144 C ALA A 77 0.784 -2.537 6.059 1.00 10.00 C ATOM 1145 O ALA A 77 0.241 -3.293 5.261 1.00 10.00 O ATOM 1146 CB ALA A 77 1.415 -2.413 8.533 1.00 10.00 C ATOM 0 H ALA A 77 3.345 -2.586 6.096 1.00 10.00 H new ATOM 0 HA ALA A 77 1.296 -4.151 7.302 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.347 -2.376 8.749 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.926 -2.959 9.325 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.810 -1.398 8.479 1.00 10.00 H new ATOM 1152 N LYS A 78 0.616 -1.212 6.031 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.302 -0.521 5.122 1.00 10.00 C ATOM 1154 C LYS A 78 0.277 -0.186 3.735 1.00 10.00 C ATOM 1155 O LYS A 78 -0.264 0.736 3.086 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.913 0.689 5.850 1.00 10.00 C ATOM 1157 CG LYS A 78 0.041 1.875 6.052 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.330 3.123 5.229 1.00 10.00 C ATOM 1159 CE LYS A 78 0.528 3.292 3.965 1.00 10.00 C ATOM 1160 NZ LYS A 78 1.355 4.513 4.003 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.228 -0.870 3.312 1.00 10.00 O ATOM 0 H LYS A 78 1.123 -0.579 6.650 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.098 -1.221 4.868 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.781 1.032 5.287 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.274 0.363 6.825 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.056 2.140 7.109 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.052 1.565 5.787 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.380 3.062 4.942 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -0.221 4.009 5.855 1.00 10.00 H new ATOM 0 HE2 LYS A 78 1.175 2.422 3.850 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.122 3.324 3.090 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 2.057 4.481 3.236 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.747 5.348 3.881 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 1.845 4.572 4.919 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.607 3.508 -0.745 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.397 3.957 2.262 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.970 0.802 0.614 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.130 3.010 -3.791 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.068 6.471 -1.921 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.726 2.517 1.067 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.538 2.855 2.125 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.325 1.862 3.150 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.435 0.940 2.653 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.971 1.419 1.378 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.177 -0.430 3.218 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.990 1.809 4.503 1.00 10.00 C HETATM 1188 CBA HEC A 90 -6.253 0.942 4.485 1.00 10.00 C HETATM 1189 CGA HEC A 90 -7.129 1.126 5.715 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.805 2.017 6.536 1.00 10.00 O HETATM 1191 O2A HEC A 90 -8.105 0.354 5.809 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.234 2.168 -1.443 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.681 1.170 -0.703 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.713 0.512 -1.540 1.00 10.00 C HETATM 1195 C3B HEC A 90 -0.845 1.055 -2.806 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.782 2.150 -2.724 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.274 -0.540 -1.064 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.004 0.728 -4.010 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.022 -0.755 -4.417 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.607 4.562 -2.550 1.00 10.00 N HETATM 1201 C1C HEC A 90 -2.960 4.139 -3.668 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.280 5.078 -4.727 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.070 6.073 -4.173 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.281 5.720 -2.792 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.822 4.984 -6.167 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.713 7.289 -4.833 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.877 7.244 -6.347 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.958 4.978 0.049 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.363 6.086 -0.623 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.220 6.844 0.247 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.379 6.125 1.407 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.543 4.943 1.289 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.874 8.161 -0.087 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.308 6.532 2.537 1.00 10.00 C HETATM 1215 CBD HEC A 90 -8.797 6.443 2.148 1.00 10.00 C HETATM 1216 CGD HEC A 90 -9.620 7.620 2.644 1.00 10.00 C HETATM 1217 O1D HEC A 90 -9.835 8.541 1.830 1.00 10.00 O HETATM 1218 O2D HEC A 90 -10.045 7.553 3.816 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.107 8.901 -0.313 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.523 8.035 -0.954 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.466 8.499 0.764 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.733 5.001 -6.204 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.186 4.054 -6.605 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.217 5.829 -6.730 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.914 -0.115 -0.291 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.270 -1.392 -0.657 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.888 -0.869 -1.903 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.823 -0.339 4.245 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.100 -1.010 3.202 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.421 -0.935 2.617 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -8.879 6.383 1.063 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -9.216 5.521 2.550 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.899 7.138 -6.816 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.504 6.395 -6.620 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.346 8.167 -6.690 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 0.354 -1.363 -3.594 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.043 -1.055 -4.653 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.610 -0.900 -5.293 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -6.835 1.179 3.595 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -5.964 -0.106 4.407 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.124 5.893 3.401 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.077 7.553 2.841 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -4.288 1.413 5.237 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.248 2.819 4.821 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.475 7.416 -2.282 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.727 2.782 -4.778 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.391 -0.002 1.068 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.981 4.046 3.178 1.00 10.00 H new HETATM 0 H2D HEC A 90 -10.375 8.433 4.095 1.00 10.00 H new HETATM 0 H2A HEC A 90 -8.595 0.545 6.636 1.00 10.00 H new