USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 81 LYS NZ :NH3+ 161:sc= -3.1! (180deg=-4.06!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 93 TYR OH : rot -159:sc= -0.836! USER MOD Set 1.4: A 94 HIS :FLIP no HE2:sc= -24.8! C(o=-34!,f=-29!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 151:sc= 0.361! (180deg=-1.37!) USER MOD Set 2.2: A 64 TYR OH : rot -127:sc= -8.56! USER MOD Set 3.1: A 48 SER OG : rot -20:sc= -1.25 USER MOD Set 3.2: A 63 HIS :FLIP no HD1:sc= -7.58! C(o=-10!,f=-8.8!) USER MOD Set 4.1: A 44 THR OG1 : rot 60:sc= -1.57! USER MOD Set 4.2: A 46 THR OG1 : rot -160:sc= -3.35! USER MOD Set 4.3: A 65 HIS : no HE2:sc= -28.6! C(o=-34!,f=-37!) USER MOD Set 5.1: A 13 ASN :FLIP amide:sc= -15.9! C(o=-67!,f=-57!) USER MOD Set 5.2: A 35 MET CE :methyl -132:sc= -40.8! (180deg=-41.5!) USER MOD Single : A 4 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.0241 F(o=-0.91,f=-0.024) USER MOD Single : A 8 THR OG1 : rot -17:sc= 0.186 USER MOD Single : A 9 TYR OH : rot 164:sc= -3.05! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -4.96! (180deg=-5.22!) USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= -0.581 (180deg=-2.36!) USER MOD Single : A 28 THR OG1 : rot 160:sc= -0.009 USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= -14.5! (180deg=-16.8!) USER MOD Single : A 39 SER OG : rot -105:sc= -0.466! USER MOD Single : A 41 THR OG1 : rot -152:sc= -7.21! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= -0.249 (180deg=-0.467) USER MOD Single : A 56 SER OG : rot 61:sc= 0.294 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.401 F(o=-1.3,f=-0.4) USER MOD Single : A 60 CYS SG : rot 180:sc=-8.82e-06 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -62:sc= 0.74 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.262 F(o=-0.92,f=-0.26) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= -0.556 USER MOD Single : A 86 SER OG : rot -142:sc= -11! USER MOD Single : A 92 GLN :FLIP amide:sc= -2.23! C(o=-5.8!,f=-2.2!) USER MOD Single : A 95 GLN :FLIP amide:sc= -9.61! C(o=-17!,f=-9.6!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.877 F(o=-3.2!,f=-0.88) USER MOD Single : A 103 THR OG1 : rot -49:sc= -3.07! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 22:sc= 0.00768 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.472 10.768 6.280 1.00 0.00 C HETATM 2 O ACE A 3 -13.340 10.997 7.483 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.400 11.603 5.433 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.832 12.084 4.637 1.00 0.00 H new HETATM 0 H2 ACE A 3 -15.168 10.964 4.996 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.872 12.365 6.053 1.00 0.00 H new ATOM 7 N ASN A 4 -12.823 9.792 5.653 1.00 0.00 N ATOM 8 CA ASN A 4 -11.897 8.913 6.358 1.00 0.00 C ATOM 9 C ASN A 4 -10.546 9.593 6.554 1.00 0.00 C ATOM 10 O ASN A 4 -10.284 10.188 7.599 1.00 0.00 O ATOM 11 CB ASN A 4 -11.715 7.606 5.587 1.00 0.00 C ATOM 12 CG ASN A 4 -13.035 6.924 5.284 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.281 6.494 4.156 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.895 6.822 6.292 1.00 0.00 N ATOM 0 H ASN A 4 -12.921 9.590 4.658 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.319 8.692 7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.191 7.809 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.085 6.931 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.800 6.374 6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.650 7.192 7.210 1.00 0.00 H new ATOM 21 N ASN A 5 -9.693 9.502 5.539 1.00 0.00 N ATOM 22 CA ASN A 5 -8.367 10.109 5.593 1.00 0.00 C ATOM 23 C ASN A 5 -7.402 9.242 6.396 1.00 0.00 C ATOM 24 O ASN A 5 -7.531 9.113 7.613 1.00 0.00 O ATOM 25 CB ASN A 5 -8.448 11.508 6.208 1.00 0.00 C ATOM 26 CG ASN A 5 -9.330 12.442 5.403 1.00 0.00 C ATOM 27 OD1 ASN A 5 -9.298 12.297 4.084 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -10.032 13.285 5.961 1.00 0.00 N flip ATOM 0 H ASN A 5 -9.896 9.013 4.667 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.990 10.189 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.835 11.433 7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.445 11.930 6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.026 13.362 6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.620 13.907 5.406 1.00 0.00 H new ATOM 35 N LEU A 6 -6.430 8.656 5.705 1.00 0.00 N ATOM 36 CA LEU A 6 -5.436 7.805 6.349 1.00 0.00 C ATOM 37 C LEU A 6 -4.424 8.641 7.121 1.00 0.00 C ATOM 38 O LEU A 6 -4.499 8.752 8.344 1.00 0.00 O ATOM 39 CB LEU A 6 -4.723 6.946 5.305 1.00 0.00 C ATOM 40 CG LEU A 6 -5.572 6.567 4.093 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.743 5.776 3.096 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.792 5.769 4.528 1.00 0.00 C ATOM 0 H LEU A 6 -6.309 8.755 4.697 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.950 7.153 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.839 7.481 4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.374 6.032 5.785 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.915 7.481 3.608 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.361 5.512 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.899 6.380 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.374 4.867 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.386 5.507 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.470 4.859 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.395 6.369 5.210 1.00 0.00 H new ATOM 54 N GLU A 7 -3.479 9.227 6.398 1.00 0.00 N ATOM 55 CA GLU A 7 -2.451 10.055 7.010 1.00 0.00 C ATOM 56 C GLU A 7 -2.248 9.682 8.471 1.00 0.00 C ATOM 57 O GLU A 7 -2.836 10.288 9.366 1.00 0.00 O ATOM 58 CB GLU A 7 -2.823 11.531 6.896 1.00 0.00 C ATOM 59 CG GLU A 7 -4.322 11.763 6.841 1.00 0.00 C ATOM 60 CD GLU A 7 -4.783 12.833 7.809 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.755 12.580 9.031 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.175 13.924 7.345 1.00 0.00 O ATOM 0 H GLU A 7 -3.404 9.143 5.384 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.516 9.880 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.408 12.071 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.363 11.948 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.604 12.049 5.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.839 10.830 7.064 1.00 0.00 H new ATOM 69 N THR A 8 -1.408 8.683 8.697 1.00 0.00 N ATOM 70 CA THR A 8 -1.113 8.218 10.045 1.00 0.00 C ATOM 71 C THR A 8 -0.634 6.770 10.031 1.00 0.00 C ATOM 72 O THR A 8 -0.082 6.281 11.017 1.00 0.00 O ATOM 73 CB THR A 8 -2.348 8.349 10.932 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.079 7.884 12.243 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.544 7.584 10.408 1.00 0.00 C ATOM 0 H THR A 8 -0.916 8.176 7.961 1.00 0.00 H new ATOM 0 HA THR A 8 -0.315 8.840 10.450 1.00 0.00 H new ATOM 0 HB THR A 8 -2.589 9.412 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.264 7.341 12.236 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.388 7.719 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.809 7.957 9.419 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.298 6.524 10.342 1.00 0.00 H new ATOM 83 N TYR A 9 -0.853 6.085 8.913 1.00 0.00 N ATOM 84 CA TYR A 9 -0.445 4.693 8.784 1.00 0.00 C ATOM 85 C TYR A 9 1.021 4.577 8.427 1.00 0.00 C ATOM 86 O TYR A 9 1.473 5.133 7.426 1.00 0.00 O ATOM 87 CB TYR A 9 -1.274 3.985 7.719 1.00 0.00 C ATOM 88 CG TYR A 9 -2.742 3.984 8.049 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.260 3.059 8.943 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.607 4.917 7.488 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.599 3.058 9.269 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.950 4.918 7.810 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.441 3.988 8.699 1.00 0.00 C ATOM 94 OH TYR A 9 -6.778 3.990 9.023 1.00 0.00 O ATOM 0 H TYR A 9 -1.309 6.471 8.086 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.610 4.219 9.751 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.120 4.474 6.757 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.926 2.957 7.614 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.604 2.328 9.391 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.224 5.649 6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.987 2.332 9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.613 5.646 7.366 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.179 4.841 8.750 1.00 0.00 H new ATOM 104 N GLU A 10 1.756 3.829 9.230 1.00 0.00 N ATOM 105 CA GLU A 10 3.163 3.621 8.963 1.00 0.00 C ATOM 106 C GLU A 10 3.361 3.398 7.476 1.00 0.00 C ATOM 107 O GLU A 10 4.471 3.494 6.969 1.00 0.00 O ATOM 108 CB GLU A 10 3.676 2.410 9.725 1.00 0.00 C ATOM 109 CG GLU A 10 2.569 1.455 10.072 1.00 0.00 C ATOM 110 CD GLU A 10 2.450 1.203 11.563 1.00 0.00 C ATOM 111 OE1 GLU A 10 3.286 0.451 12.106 1.00 0.00 O ATOM 112 OE2 GLU A 10 1.520 1.756 12.185 1.00 0.00 O ATOM 0 H GLU A 10 1.404 3.360 10.065 1.00 0.00 H new ATOM 0 HA GLU A 10 3.718 4.501 9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.425 1.894 9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.171 2.739 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.624 1.851 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.741 0.507 9.561 1.00 0.00 H new ATOM 119 N TRP A 11 2.273 3.068 6.785 1.00 0.00 N ATOM 120 CA TRP A 11 2.331 2.803 5.363 1.00 0.00 C ATOM 121 C TRP A 11 1.844 3.981 4.518 1.00 0.00 C ATOM 122 O TRP A 11 2.325 4.194 3.408 1.00 0.00 O ATOM 123 CB TRP A 11 1.489 1.578 5.052 1.00 0.00 C ATOM 124 CG TRP A 11 0.189 1.515 5.815 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.070 0.828 6.971 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.045 2.142 5.446 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.388 0.984 7.330 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.006 1.787 6.410 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.427 2.966 4.392 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.324 2.230 6.343 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.734 3.406 4.326 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.671 3.036 5.295 1.00 0.00 C ATOM 0 H TRP A 11 1.343 2.979 7.194 1.00 0.00 H new ATOM 0 HA TRP A 11 3.377 2.635 5.105 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.272 1.561 3.984 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.072 0.684 5.273 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.656 0.248 7.521 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.833 0.569 8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.712 3.257 3.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.047 1.947 7.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.038 4.047 3.512 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.687 3.393 5.214 1.00 0.00 H new ATOM 143 N TYR A 12 0.869 4.724 5.025 1.00 0.00 N ATOM 144 CA TYR A 12 0.310 5.848 4.276 1.00 0.00 C ATOM 145 C TYR A 12 1.255 7.039 4.186 1.00 0.00 C ATOM 146 O TYR A 12 1.931 7.397 5.151 1.00 0.00 O ATOM 147 CB TYR A 12 -1.009 6.305 4.884 1.00 0.00 C ATOM 148 CG TYR A 12 -1.693 7.350 4.039 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.398 6.989 2.902 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.614 8.696 4.366 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.012 7.940 2.114 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.225 9.656 3.582 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.924 9.273 2.458 1.00 0.00 C ATOM 154 OH TYR A 12 -3.533 10.225 1.672 1.00 0.00 O ATOM 0 H TYR A 12 0.450 4.573 5.943 1.00 0.00 H new ATOM 0 HA TYR A 12 0.148 5.476 3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.670 5.446 5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.828 6.707 5.881 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.468 5.947 2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.067 8.998 5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.559 7.642 1.232 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.155 10.700 3.849 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.376 11.114 2.054 1.00 0.00 H new ATOM 164 N ASN A 13 1.261 7.663 3.009 1.00 0.00 N ATOM 165 CA ASN A 13 2.082 8.840 2.753 1.00 0.00 C ATOM 166 C ASN A 13 1.312 9.840 1.888 1.00 0.00 C ATOM 167 O ASN A 13 0.973 9.553 0.739 1.00 0.00 O ATOM 168 CB ASN A 13 3.396 8.447 2.084 1.00 0.00 C ATOM 169 CG ASN A 13 4.568 8.571 3.040 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.650 7.860 2.757 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.499 9.304 4.026 1.00 0.00 N flip ATOM 0 H ASN A 13 0.699 7.367 2.211 1.00 0.00 H new ATOM 0 HA ASN A 13 2.318 9.313 3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.328 7.421 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.566 9.082 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.647 9.835 4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.294 9.381 4.661 1.00 0.00 H new ATOM 178 N LYS A 14 1.015 10.999 2.467 1.00 0.00 N ATOM 179 CA LYS A 14 0.254 12.045 1.782 1.00 0.00 C ATOM 180 C LYS A 14 0.942 12.550 0.511 1.00 0.00 C ATOM 181 O LYS A 14 2.153 12.408 0.339 1.00 0.00 O ATOM 182 CB LYS A 14 0.013 13.218 2.733 1.00 0.00 C ATOM 183 CG LYS A 14 1.272 14.004 3.060 1.00 0.00 C ATOM 184 CD LYS A 14 1.925 13.505 4.339 1.00 0.00 C ATOM 185 CE LYS A 14 1.161 13.964 5.570 1.00 0.00 C ATOM 186 NZ LYS A 14 2.009 13.933 6.794 1.00 0.00 N ATOM 0 H LYS A 14 1.292 11.241 3.418 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.693 11.599 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.720 13.891 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.421 12.841 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.978 13.922 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.025 15.061 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.972 12.416 4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.952 13.868 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.791 14.977 5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.290 13.325 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.451 14.253 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.342 12.962 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.827 14.562 6.666 1.00 0.00 H new ATOM 200 N SER A 15 0.140 13.159 -0.363 1.00 0.00 N ATOM 201 CA SER A 15 0.617 13.722 -1.629 1.00 0.00 C ATOM 202 C SER A 15 1.807 12.955 -2.198 1.00 0.00 C ATOM 203 O SER A 15 2.581 13.498 -2.987 1.00 0.00 O ATOM 204 CB SER A 15 0.996 15.192 -1.439 1.00 0.00 C ATOM 205 OG SER A 15 0.597 15.971 -2.553 1.00 0.00 O ATOM 0 H SER A 15 -0.862 13.277 -0.213 1.00 0.00 H new ATOM 0 HA SER A 15 -0.200 13.636 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.526 15.578 -0.535 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.074 15.278 -1.299 1.00 0.00 H new ATOM 0 HG SER A 15 0.850 16.906 -2.405 1.00 0.00 H new ATOM 211 N ILE A 16 1.957 11.700 -1.798 1.00 0.00 N ATOM 212 CA ILE A 16 3.057 10.880 -2.273 1.00 0.00 C ATOM 213 C ILE A 16 2.882 10.450 -3.723 1.00 0.00 C ATOM 214 O ILE A 16 1.769 10.393 -4.245 1.00 0.00 O ATOM 215 CB ILE A 16 3.202 9.617 -1.421 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.467 9.696 -0.589 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.220 8.382 -2.309 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.112 8.349 -0.365 1.00 0.00 C ATOM 0 H ILE A 16 1.330 11.230 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 16 3.948 11.502 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 16 2.348 9.542 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.180 10.356 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.233 10.145 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.324 7.491 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.289 8.326 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.060 8.443 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.012 8.472 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.414 7.694 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.376 7.908 -1.326 1.00 0.00 H new ATOM 230 N SER A 17 4.003 10.113 -4.348 1.00 0.00 N ATOM 231 CA SER A 17 4.015 9.640 -5.723 1.00 0.00 C ATOM 232 C SER A 17 4.728 8.294 -5.789 1.00 0.00 C ATOM 233 O SER A 17 4.937 7.648 -4.762 1.00 0.00 O ATOM 234 CB SER A 17 4.710 10.651 -6.636 1.00 0.00 C ATOM 235 OG SER A 17 3.799 11.204 -7.570 1.00 0.00 O ATOM 0 H SER A 17 4.926 10.160 -3.916 1.00 0.00 H new ATOM 0 HA SER A 17 2.987 9.524 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.148 11.448 -6.035 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.529 10.165 -7.166 1.00 0.00 H new ATOM 0 HG SER A 17 4.267 11.849 -8.141 1.00 0.00 H new ATOM 241 N ARG A 18 5.108 7.875 -6.988 1.00 0.00 N ATOM 242 CA ARG A 18 5.804 6.607 -7.155 1.00 0.00 C ATOM 243 C ARG A 18 7.254 6.711 -6.683 1.00 0.00 C ATOM 244 O ARG A 18 7.807 5.762 -6.127 1.00 0.00 O ATOM 245 CB ARG A 18 5.762 6.165 -8.621 1.00 0.00 C ATOM 246 CG ARG A 18 6.844 6.800 -9.479 1.00 0.00 C ATOM 247 CD ARG A 18 6.917 6.154 -10.854 1.00 0.00 C ATOM 248 NE ARG A 18 7.999 5.178 -10.944 1.00 0.00 N ATOM 249 CZ ARG A 18 8.520 4.759 -12.093 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.062 5.233 -13.244 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.501 3.867 -12.092 1.00 0.00 N ATOM 0 H ARG A 18 4.948 8.390 -7.854 1.00 0.00 H new ATOM 0 HA ARG A 18 5.296 5.861 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.862 5.081 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.786 6.413 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.645 7.866 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.808 6.705 -8.980 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.968 5.665 -11.075 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.062 6.926 -11.610 1.00 0.00 H new ATOM 0 HE ARG A 18 8.376 4.796 -10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.309 5.920 -13.249 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.463 4.910 -14.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.857 3.501 -11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.900 3.546 -12.974 1.00 0.00 H new ATOM 265 N ASP A 19 7.866 7.865 -6.928 1.00 0.00 N ATOM 266 CA ASP A 19 9.258 8.101 -6.551 1.00 0.00 C ATOM 267 C ASP A 19 9.434 8.296 -5.043 1.00 0.00 C ATOM 268 O ASP A 19 10.343 7.726 -4.442 1.00 0.00 O ATOM 269 CB ASP A 19 9.800 9.318 -7.300 1.00 0.00 C ATOM 270 CG ASP A 19 9.387 9.326 -8.760 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.412 8.249 -9.390 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.036 10.411 -9.272 1.00 0.00 O ATOM 0 H ASP A 19 7.418 8.657 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 19 9.822 7.211 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.442 10.228 -6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.888 9.329 -7.232 1.00 0.00 H new ATOM 277 N LYS A 20 8.577 9.114 -4.437 1.00 0.00 N ATOM 278 CA LYS A 20 8.670 9.386 -3.001 1.00 0.00 C ATOM 279 C LYS A 20 8.603 8.095 -2.193 1.00 0.00 C ATOM 280 O LYS A 20 9.466 7.823 -1.345 1.00 0.00 O ATOM 281 CB LYS A 20 7.543 10.322 -2.555 1.00 0.00 C ATOM 282 CG LYS A 20 7.491 11.633 -3.319 1.00 0.00 C ATOM 283 CD LYS A 20 6.904 11.442 -4.706 1.00 0.00 C ATOM 284 CE LYS A 20 7.942 11.712 -5.784 1.00 0.00 C ATOM 285 NZ LYS A 20 7.456 11.332 -7.139 1.00 0.00 N ATOM 0 H LYS A 20 7.815 9.598 -4.912 1.00 0.00 H new ATOM 0 HA LYS A 20 9.631 9.866 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.589 9.807 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.662 10.537 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.892 12.355 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.495 12.048 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.527 10.424 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.054 12.112 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.204 12.770 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.852 11.157 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.229 11.437 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.135 10.343 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.665 11.950 -7.410 1.00 0.00 H new ATOM 299 N ALA A 21 7.580 7.292 -2.459 1.00 0.00 N ATOM 300 CA ALA A 21 7.418 6.032 -1.753 1.00 0.00 C ATOM 301 C ALA A 21 8.636 5.143 -1.962 1.00 0.00 C ATOM 302 O ALA A 21 9.230 4.645 -1.006 1.00 0.00 O ATOM 303 CB ALA A 21 6.139 5.330 -2.175 1.00 0.00 C ATOM 0 H ALA A 21 6.858 7.490 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 21 7.336 6.244 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.043 4.390 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.283 5.967 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.171 5.128 -3.246 1.00 0.00 H new ATOM 309 N GLU A 22 9.029 4.963 -3.215 1.00 0.00 N ATOM 310 CA GLU A 22 10.197 4.152 -3.512 1.00 0.00 C ATOM 311 C GLU A 22 11.400 4.689 -2.750 1.00 0.00 C ATOM 312 O GLU A 22 12.124 3.936 -2.093 1.00 0.00 O ATOM 313 CB GLU A 22 10.482 4.146 -5.016 1.00 0.00 C ATOM 314 CG GLU A 22 9.650 3.138 -5.791 1.00 0.00 C ATOM 315 CD GLU A 22 10.386 2.582 -6.996 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.113 3.353 -7.657 1.00 0.00 O ATOM 317 OE2 GLU A 22 10.234 1.374 -7.277 1.00 0.00 O ATOM 0 H GLU A 22 8.563 5.362 -4.030 1.00 0.00 H new ATOM 0 HA GLU A 22 10.002 3.126 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.295 5.142 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.539 3.931 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.370 2.318 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.725 3.612 -6.121 1.00 0.00 H new ATOM 324 N LYS A 23 11.592 6.005 -2.820 1.00 0.00 N ATOM 325 CA LYS A 23 12.690 6.641 -2.112 1.00 0.00 C ATOM 326 C LYS A 23 12.561 6.354 -0.628 1.00 0.00 C ATOM 327 O LYS A 23 13.511 5.900 0.012 1.00 0.00 O ATOM 328 CB LYS A 23 12.701 8.151 -2.360 1.00 0.00 C ATOM 329 CG LYS A 23 11.464 8.861 -1.844 1.00 0.00 C ATOM 330 CD LYS A 23 11.667 10.366 -1.777 1.00 0.00 C ATOM 331 CE LYS A 23 10.984 10.963 -0.557 1.00 0.00 C ATOM 332 NZ LYS A 23 9.929 11.945 -0.933 1.00 0.00 N ATOM 0 H LYS A 23 11.004 6.643 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 23 13.631 6.235 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.582 8.582 -1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.795 8.334 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.618 8.636 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.214 8.483 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.733 10.590 -1.745 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.271 10.829 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.541 10.164 0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.728 11.453 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.241 12.904 -0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.759 11.897 -1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.049 11.721 -0.426 1.00 0.00 H new ATOM 346 N LEU A 24 11.370 6.598 -0.082 1.00 0.00 N ATOM 347 CA LEU A 24 11.135 6.330 1.331 1.00 0.00 C ATOM 348 C LEU A 24 11.385 4.857 1.629 1.00 0.00 C ATOM 349 O LEU A 24 12.023 4.516 2.624 1.00 0.00 O ATOM 350 CB LEU A 24 9.714 6.718 1.742 1.00 0.00 C ATOM 351 CG LEU A 24 8.628 6.397 0.719 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.091 4.987 0.922 1.00 0.00 C ATOM 353 CD2 LEU A 24 7.506 7.421 0.808 1.00 0.00 C ATOM 0 H LEU A 24 10.568 6.974 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 24 11.829 6.938 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.472 6.210 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.692 7.788 1.947 1.00 0.00 H new ATOM 0 HG LEU A 24 9.066 6.447 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.318 4.782 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.903 4.269 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.667 4.900 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.737 7.182 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.072 7.400 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.904 8.415 0.606 1.00 0.00 H new ATOM 365 N LEU A 25 10.898 3.982 0.747 1.00 0.00 N ATOM 366 CA LEU A 25 11.100 2.547 0.920 1.00 0.00 C ATOM 367 C LEU A 25 12.586 2.227 0.864 1.00 0.00 C ATOM 368 O LEU A 25 13.124 1.546 1.737 1.00 0.00 O ATOM 369 CB LEU A 25 10.368 1.750 -0.164 1.00 0.00 C ATOM 370 CG LEU A 25 8.837 1.795 -0.099 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.233 1.114 -1.314 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.333 1.145 1.179 1.00 0.00 C ATOM 0 H LEU A 25 10.367 4.240 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 25 10.694 2.263 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.684 2.122 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.686 0.709 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 25 8.526 2.840 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.146 1.155 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.564 1.624 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.555 0.073 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.244 1.188 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.656 0.104 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.737 1.676 2.041 1.00 0.00 H new ATOM 384 N LEU A 26 13.245 2.730 -0.176 1.00 0.00 N ATOM 385 CA LEU A 26 14.673 2.507 -0.358 1.00 0.00 C ATOM 386 C LEU A 26 15.456 2.954 0.873 1.00 0.00 C ATOM 387 O LEU A 26 16.419 2.304 1.277 1.00 0.00 O ATOM 388 CB LEU A 26 15.170 3.258 -1.593 1.00 0.00 C ATOM 389 CG LEU A 26 14.865 2.580 -2.929 1.00 0.00 C ATOM 390 CD1 LEU A 26 16.039 2.729 -3.883 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.532 1.111 -2.715 1.00 0.00 C ATOM 0 H LEU A 26 12.811 3.295 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 26 14.835 1.438 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.725 4.253 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.248 3.392 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 26 13.998 3.068 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.804 2.240 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.232 3.787 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.924 2.267 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.317 0.643 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.380 0.610 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.660 1.026 -2.067 1.00 0.00 H new ATOM 403 N ASP A 27 15.036 4.070 1.463 1.00 0.00 N ATOM 404 CA ASP A 27 15.700 4.603 2.646 1.00 0.00 C ATOM 405 C ASP A 27 15.763 3.554 3.751 1.00 0.00 C ATOM 406 O ASP A 27 16.822 3.310 4.330 1.00 0.00 O ATOM 407 CB ASP A 27 14.969 5.849 3.149 1.00 0.00 C ATOM 408 CG ASP A 27 14.793 5.848 4.655 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.801 5.672 5.370 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.647 6.026 5.118 1.00 0.00 O ATOM 0 H ASP A 27 14.240 4.621 1.141 1.00 0.00 H new ATOM 0 HA ASP A 27 16.719 4.876 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.525 6.738 2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.991 5.910 2.672 1.00 0.00 H new ATOM 415 N THR A 28 14.624 2.930 4.036 1.00 0.00 N ATOM 416 CA THR A 28 14.554 1.902 5.067 1.00 0.00 C ATOM 417 C THR A 28 14.778 0.519 4.465 1.00 0.00 C ATOM 418 O THR A 28 15.645 -0.232 4.913 1.00 0.00 O ATOM 419 CB THR A 28 13.202 1.953 5.779 1.00 0.00 C ATOM 420 OG1 THR A 28 13.243 1.219 6.990 1.00 0.00 O ATOM 421 CG2 THR A 28 12.063 1.405 4.949 1.00 0.00 C ATOM 0 H THR A 28 13.738 3.119 3.567 1.00 0.00 H new ATOM 0 HA THR A 28 15.342 2.094 5.795 1.00 0.00 H new ATOM 0 HB THR A 28 13.017 3.011 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.514 1.513 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.134 1.472 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.970 1.985 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.262 0.362 4.701 1.00 0.00 H new ATOM 429 N GLY A 29 13.994 0.193 3.442 1.00 0.00 N ATOM 430 CA GLY A 29 14.125 -1.093 2.788 1.00 0.00 C ATOM 431 C GLY A 29 13.691 -2.251 3.666 1.00 0.00 C ATOM 432 O GLY A 29 14.502 -3.106 4.018 1.00 0.00 O ATOM 0 H GLY A 29 13.270 0.798 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.529 -1.093 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.163 -1.239 2.490 1.00 0.00 H new ATOM 436 N LYS A 30 12.407 -2.287 4.012 1.00 0.00 N ATOM 437 CA LYS A 30 11.876 -3.361 4.844 1.00 0.00 C ATOM 438 C LYS A 30 11.170 -4.398 3.986 1.00 0.00 C ATOM 439 O LYS A 30 10.251 -4.071 3.234 1.00 0.00 O ATOM 440 CB LYS A 30 10.907 -2.814 5.895 1.00 0.00 C ATOM 441 CG LYS A 30 11.364 -1.507 6.514 1.00 0.00 C ATOM 442 CD LYS A 30 10.370 -0.387 6.271 1.00 0.00 C ATOM 443 CE LYS A 30 9.653 -0.557 4.946 1.00 0.00 C ATOM 444 NZ LYS A 30 8.188 -0.736 5.137 1.00 0.00 N ATOM 0 H LYS A 30 11.719 -1.589 3.731 1.00 0.00 H new ATOM 0 HA LYS A 30 12.715 -3.831 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.929 -2.668 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.781 -3.556 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.503 -1.642 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.333 -1.228 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.640 -0.365 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.890 0.571 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.835 0.315 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.060 -1.420 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.702 -0.612 4.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.000 -1.691 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.837 -0.030 5.815 1.00 0.00 H new ATOM 458 N GLU A 31 11.601 -5.647 4.097 1.00 0.00 N ATOM 459 CA GLU A 31 10.999 -6.716 3.321 1.00 0.00 C ATOM 460 C GLU A 31 9.505 -6.475 3.189 1.00 0.00 C ATOM 461 O GLU A 31 8.759 -6.590 4.161 1.00 0.00 O ATOM 462 CB GLU A 31 11.256 -8.068 3.990 1.00 0.00 C ATOM 463 CG GLU A 31 10.459 -9.210 3.382 1.00 0.00 C ATOM 464 CD GLU A 31 9.516 -9.859 4.377 1.00 0.00 C ATOM 465 OE1 GLU A 31 9.432 -9.369 5.522 1.00 0.00 O ATOM 466 OE2 GLU A 31 8.863 -10.859 4.010 1.00 0.00 O ATOM 0 H GLU A 31 12.359 -5.941 4.712 1.00 0.00 H new ATOM 0 HA GLU A 31 11.449 -6.729 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.319 -8.301 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.014 -7.991 5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.885 -8.836 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.147 -9.962 2.995 1.00 0.00 H new ATOM 473 N GLY A 32 9.075 -6.118 1.986 1.00 0.00 N ATOM 474 CA GLY A 32 7.675 -5.844 1.762 1.00 0.00 C ATOM 475 C GLY A 32 7.275 -4.504 2.336 1.00 0.00 C ATOM 476 O GLY A 32 6.156 -4.336 2.821 1.00 0.00 O ATOM 0 H GLY A 32 9.671 -6.014 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.467 -5.860 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.072 -6.630 2.216 1.00 0.00 H new ATOM 480 N ALA A 33 8.191 -3.541 2.273 1.00 0.00 N ATOM 481 CA ALA A 33 7.918 -2.204 2.785 1.00 0.00 C ATOM 482 C ALA A 33 6.597 -1.712 2.217 1.00 0.00 C ATOM 483 O ALA A 33 6.496 -1.452 1.017 1.00 0.00 O ATOM 484 CB ALA A 33 9.034 -1.249 2.410 1.00 0.00 C ATOM 0 H ALA A 33 9.122 -3.661 1.875 1.00 0.00 H new ATOM 0 HA ALA A 33 7.857 -2.245 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.811 -0.257 2.802 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.974 -1.603 2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.121 -1.199 1.325 1.00 0.00 H new ATOM 490 N PHE A 34 5.574 -1.609 3.055 1.00 0.00 N ATOM 491 CA PHE A 34 4.272 -1.176 2.569 1.00 0.00 C ATOM 492 C PHE A 34 4.012 0.300 2.809 1.00 0.00 C ATOM 493 O PHE A 34 4.128 0.795 3.925 1.00 0.00 O ATOM 494 CB PHE A 34 3.147 -1.978 3.209 1.00 0.00 C ATOM 495 CG PHE A 34 1.831 -1.274 3.105 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.277 -1.018 1.867 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.148 -0.858 4.228 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.072 -0.362 1.753 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.044 -0.206 4.119 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.588 0.051 2.886 1.00 0.00 C ATOM 0 H PHE A 34 5.617 -1.814 4.053 1.00 0.00 H new ATOM 0 HA PHE A 34 4.291 -1.351 1.493 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.076 -2.953 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.381 -2.158 4.258 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.796 -1.337 0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.563 -1.051 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.353 -0.173 0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.565 0.111 5.011 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.529 0.575 2.806 1.00 0.00 H new ATOM 510 N MET A 35 3.620 0.991 1.750 1.00 0.00 N ATOM 511 CA MET A 35 3.300 2.403 1.847 1.00 0.00 C ATOM 512 C MET A 35 2.023 2.708 1.082 1.00 0.00 C ATOM 513 O MET A 35 1.606 1.936 0.221 1.00 0.00 O ATOM 514 CB MET A 35 4.445 3.253 1.310 1.00 0.00 C ATOM 515 CG MET A 35 4.088 4.716 1.139 1.00 0.00 C ATOM 516 SD MET A 35 4.270 5.643 2.671 1.00 0.00 S ATOM 517 CE MET A 35 6.006 5.371 2.992 1.00 0.00 C ATOM 0 H MET A 35 3.516 0.596 0.815 1.00 0.00 H new ATOM 0 HA MET A 35 3.150 2.648 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.295 3.172 1.988 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.765 2.851 0.349 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.725 5.156 0.372 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.060 4.799 0.786 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.141 5.066 4.030 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.380 4.588 2.332 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.558 6.293 2.810 1.00 0.00 H new ATOM 527 N VAL A 36 1.411 3.842 1.388 1.00 0.00 N ATOM 528 CA VAL A 36 0.188 4.246 0.710 1.00 0.00 C ATOM 529 C VAL A 36 0.211 5.728 0.390 1.00 0.00 C ATOM 530 O VAL A 36 0.828 6.521 1.101 1.00 0.00 O ATOM 531 CB VAL A 36 -1.072 3.932 1.529 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.317 4.359 0.768 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.125 2.454 1.859 1.00 0.00 C ATOM 0 H VAL A 36 1.739 4.497 2.098 1.00 0.00 H new ATOM 0 HA VAL A 36 0.147 3.666 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.034 4.493 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.202 4.130 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.276 5.431 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.366 3.822 -0.179 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.023 2.243 2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.146 1.876 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.244 2.179 2.439 1.00 0.00 H new ATOM 543 N ARG A 37 -0.460 6.099 -0.689 1.00 0.00 N ATOM 544 CA ARG A 37 -0.512 7.487 -1.108 1.00 0.00 C ATOM 545 C ARG A 37 -1.882 7.822 -1.686 1.00 0.00 C ATOM 546 O ARG A 37 -2.702 6.935 -1.910 1.00 0.00 O ATOM 547 CB ARG A 37 0.606 7.759 -2.114 1.00 0.00 C ATOM 548 CG ARG A 37 0.142 7.870 -3.552 1.00 0.00 C ATOM 549 CD ARG A 37 1.116 7.170 -4.486 1.00 0.00 C ATOM 550 NE ARG A 37 0.929 7.581 -5.874 1.00 0.00 N ATOM 551 CZ ARG A 37 1.781 7.289 -6.851 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.871 6.578 -6.595 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.543 7.706 -8.087 1.00 0.00 N ATOM 0 H ARG A 37 -0.976 5.456 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.360 8.133 -0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.111 8.684 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.344 6.959 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.849 7.428 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.054 8.920 -3.831 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.138 7.390 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.984 6.091 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 37 0.097 8.123 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.057 6.254 -5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.523 6.355 -7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.705 8.252 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.198 7.481 -8.836 1.00 0.00 H new ATOM 567 N ASP A 38 -2.138 9.105 -1.898 1.00 0.00 N ATOM 568 CA ASP A 38 -3.426 9.546 -2.419 1.00 0.00 C ATOM 569 C ASP A 38 -3.577 9.242 -3.906 1.00 0.00 C ATOM 570 O ASP A 38 -2.600 9.240 -4.656 1.00 0.00 O ATOM 571 CB ASP A 38 -3.610 11.041 -2.177 1.00 0.00 C ATOM 572 CG ASP A 38 -5.064 11.463 -2.235 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.795 11.211 -1.254 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.472 12.045 -3.262 1.00 0.00 O ATOM 0 H ASP A 38 -1.474 9.858 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.197 8.990 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.198 11.301 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.043 11.599 -2.922 1.00 0.00 H new ATOM 579 N SER A 39 -4.815 8.985 -4.319 1.00 0.00 N ATOM 580 CA SER A 39 -5.117 8.677 -5.711 1.00 0.00 C ATOM 581 C SER A 39 -5.593 9.919 -6.459 1.00 0.00 C ATOM 582 O SER A 39 -5.076 11.018 -6.262 1.00 0.00 O ATOM 583 CB SER A 39 -6.193 7.593 -5.793 1.00 0.00 C ATOM 584 OG SER A 39 -7.483 8.138 -5.578 1.00 0.00 O ATOM 0 H SER A 39 -5.629 8.984 -3.704 1.00 0.00 H new ATOM 0 HA SER A 39 -4.200 8.318 -6.178 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.156 7.113 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.993 6.820 -5.051 1.00 0.00 H new ATOM 0 HG SER A 39 -7.794 7.898 -4.680 1.00 0.00 H new ATOM 590 N ARG A 40 -6.590 9.725 -7.316 1.00 0.00 N ATOM 591 CA ARG A 40 -7.159 10.811 -8.106 1.00 0.00 C ATOM 592 C ARG A 40 -8.424 10.334 -8.815 1.00 0.00 C ATOM 593 O ARG A 40 -8.743 10.784 -9.916 1.00 0.00 O ATOM 594 CB ARG A 40 -6.137 11.317 -9.130 1.00 0.00 C ATOM 595 CG ARG A 40 -5.796 10.300 -10.207 1.00 0.00 C ATOM 596 CD ARG A 40 -4.590 10.737 -11.024 1.00 0.00 C ATOM 597 NE ARG A 40 -4.652 12.152 -11.378 1.00 0.00 N ATOM 598 CZ ARG A 40 -5.393 12.632 -12.371 1.00 0.00 C ATOM 599 NH1 ARG A 40 -6.126 11.810 -13.110 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.400 13.933 -12.627 1.00 0.00 N ATOM 0 H ARG A 40 -7.024 8.817 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.417 11.633 -7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.526 12.218 -9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.223 11.601 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.593 9.334 -9.745 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.654 10.165 -10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.679 10.545 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.532 10.138 -11.933 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.095 12.809 -10.832 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.121 10.809 -12.916 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.695 12.179 -13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.836 14.567 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.969 14.300 -13.390 1.00 0.00 H new ATOM 614 N THR A 41 -9.130 9.405 -8.175 1.00 0.00 N ATOM 615 CA THR A 41 -10.352 8.840 -8.733 1.00 0.00 C ATOM 616 C THR A 41 -11.411 8.652 -7.634 1.00 0.00 C ATOM 617 O THR A 41 -11.357 9.330 -6.609 1.00 0.00 O ATOM 618 CB THR A 41 -10.007 7.520 -9.428 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.900 7.255 -10.494 1.00 0.00 O ATOM 620 CG2 THR A 41 -10.006 6.325 -8.497 1.00 0.00 C ATOM 0 H THR A 41 -8.873 9.027 -7.263 1.00 0.00 H new ATOM 0 HA THR A 41 -10.780 9.521 -9.468 1.00 0.00 H new ATOM 0 HB THR A 41 -8.992 7.655 -9.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.971 6.287 -10.628 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.753 5.426 -9.059 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.269 6.479 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.995 6.209 -8.053 1.00 0.00 H new ATOM 628 N PRO A 42 -12.403 7.753 -7.831 1.00 0.00 N ATOM 629 CA PRO A 42 -13.479 7.504 -6.862 1.00 0.00 C ATOM 630 C PRO A 42 -13.089 7.675 -5.388 1.00 0.00 C ATOM 631 O PRO A 42 -13.937 7.534 -4.507 1.00 0.00 O ATOM 632 CB PRO A 42 -13.832 6.055 -7.158 1.00 0.00 C ATOM 633 CG PRO A 42 -13.683 5.945 -8.637 1.00 0.00 C ATOM 634 CD PRO A 42 -12.588 6.912 -9.034 1.00 0.00 C ATOM 0 HA PRO A 42 -14.288 8.225 -6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.166 5.367 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.847 5.818 -6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.424 4.926 -8.926 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.618 6.191 -9.140 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.670 6.388 -9.301 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.877 7.510 -9.899 1.00 0.00 H new ATOM 642 N GLY A 43 -11.828 7.987 -5.112 1.00 0.00 N ATOM 643 CA GLY A 43 -11.405 8.174 -3.734 1.00 0.00 C ATOM 644 C GLY A 43 -10.438 7.116 -3.258 1.00 0.00 C ATOM 645 O GLY A 43 -10.223 6.951 -2.057 1.00 0.00 O ATOM 0 H GLY A 43 -11.095 8.113 -5.810 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.939 9.154 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.283 8.171 -3.088 1.00 0.00 H new ATOM 649 N THR A 44 -9.858 6.401 -4.201 1.00 0.00 N ATOM 650 CA THR A 44 -8.907 5.348 -3.891 1.00 0.00 C ATOM 651 C THR A 44 -7.578 5.917 -3.401 1.00 0.00 C ATOM 652 O THR A 44 -7.264 7.085 -3.630 1.00 0.00 O ATOM 653 CB THR A 44 -8.659 4.507 -5.137 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.325 4.035 -5.167 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.903 5.269 -6.417 1.00 0.00 C ATOM 0 H THR A 44 -10.030 6.531 -5.198 1.00 0.00 H new ATOM 0 HA THR A 44 -9.331 4.736 -3.095 1.00 0.00 H new ATOM 0 HB THR A 44 -9.366 3.680 -5.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.157 3.479 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.710 4.618 -7.270 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.938 5.609 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.237 6.131 -6.460 1.00 0.00 H new ATOM 663 N TYR A 45 -6.796 5.065 -2.749 1.00 0.00 N ATOM 664 CA TYR A 45 -5.482 5.444 -2.246 1.00 0.00 C ATOM 665 C TYR A 45 -4.418 4.566 -2.893 1.00 0.00 C ATOM 666 O TYR A 45 -4.725 3.492 -3.409 1.00 0.00 O ATOM 667 CB TYR A 45 -5.419 5.309 -0.726 1.00 0.00 C ATOM 668 CG TYR A 45 -6.502 6.076 -0.009 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.815 5.636 -0.036 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.212 7.240 0.694 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.815 6.331 0.614 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.206 7.942 1.349 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.506 7.483 1.306 1.00 0.00 C ATOM 674 OH TYR A 45 -9.500 8.180 1.956 1.00 0.00 O ATOM 0 H TYR A 45 -7.053 4.097 -2.555 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.299 6.488 -2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.494 4.255 -0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.447 5.658 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.061 4.733 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.195 7.601 0.729 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.834 5.974 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.966 8.845 1.891 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.114 8.966 2.396 1.00 0.00 H new ATOM 684 N THR A 46 -3.175 5.021 -2.884 1.00 0.00 N ATOM 685 CA THR A 46 -2.087 4.262 -3.488 1.00 0.00 C ATOM 686 C THR A 46 -1.296 3.502 -2.427 1.00 0.00 C ATOM 687 O THR A 46 -1.202 3.947 -1.286 1.00 0.00 O ATOM 688 CB THR A 46 -1.163 5.197 -4.264 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.911 6.041 -5.121 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.154 4.458 -5.115 1.00 0.00 C ATOM 0 H THR A 46 -2.893 5.908 -2.467 1.00 0.00 H new ATOM 0 HA THR A 46 -2.519 3.535 -4.176 1.00 0.00 H new ATOM 0 HB THR A 46 -0.629 5.775 -3.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.326 6.396 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.474 5.177 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.469 3.831 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.677 3.833 -5.839 1.00 0.00 H new ATOM 698 N VAL A 47 -0.729 2.353 -2.806 1.00 0.00 N ATOM 699 CA VAL A 47 0.051 1.550 -1.872 1.00 0.00 C ATOM 700 C VAL A 47 1.422 1.219 -2.437 1.00 0.00 C ATOM 701 O VAL A 47 1.538 0.472 -3.406 1.00 0.00 O ATOM 702 CB VAL A 47 -0.643 0.223 -1.517 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.351 -0.720 -0.844 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.856 0.463 -0.631 1.00 0.00 C ATOM 0 H VAL A 47 -0.797 1.964 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 47 0.147 2.159 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.996 -0.244 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.147 -1.657 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.181 -0.919 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.731 -0.258 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.328 -0.491 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.542 0.951 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.568 1.101 -1.154 1.00 0.00 H new ATOM 714 N SER A 48 2.459 1.750 -1.813 1.00 0.00 N ATOM 715 CA SER A 48 3.817 1.472 -2.253 1.00 0.00 C ATOM 716 C SER A 48 4.367 0.276 -1.493 1.00 0.00 C ATOM 717 O SER A 48 4.586 0.343 -0.281 1.00 0.00 O ATOM 718 CB SER A 48 4.730 2.684 -2.057 1.00 0.00 C ATOM 719 OG SER A 48 5.723 2.740 -3.066 1.00 0.00 O ATOM 0 H SER A 48 2.389 2.371 -1.007 1.00 0.00 H new ATOM 0 HA SER A 48 3.789 1.247 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.136 3.598 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.205 2.632 -1.077 1.00 0.00 H new ATOM 0 HG SER A 48 5.825 1.855 -3.474 1.00 0.00 H new ATOM 725 N VAL A 49 4.580 -0.818 -2.211 1.00 0.00 N ATOM 726 CA VAL A 49 5.101 -2.033 -1.607 1.00 0.00 C ATOM 727 C VAL A 49 6.534 -2.274 -2.058 1.00 0.00 C ATOM 728 O VAL A 49 6.802 -2.469 -3.246 1.00 0.00 O ATOM 729 CB VAL A 49 4.235 -3.256 -1.959 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.774 -2.988 -1.621 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.398 -3.621 -3.427 1.00 0.00 C ATOM 0 H VAL A 49 4.400 -0.888 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 49 5.077 -1.899 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 49 4.571 -4.104 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.175 -3.862 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.679 -2.781 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.421 -2.128 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.778 -4.488 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.090 -2.779 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.443 -3.858 -3.629 1.00 0.00 H new ATOM 741 N PHE A 50 7.454 -2.235 -1.102 1.00 0.00 N ATOM 742 CA PHE A 50 8.866 -2.427 -1.392 1.00 0.00 C ATOM 743 C PHE A 50 9.362 -3.766 -0.867 1.00 0.00 C ATOM 744 O PHE A 50 9.088 -4.143 0.278 1.00 0.00 O ATOM 745 CB PHE A 50 9.677 -1.286 -0.783 1.00 0.00 C ATOM 746 CG PHE A 50 11.111 -1.623 -0.501 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.452 -2.703 0.304 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.122 -0.849 -1.042 1.00 0.00 C ATOM 749 CE1 PHE A 50 12.774 -2.996 0.560 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.446 -1.139 -0.789 1.00 0.00 C ATOM 751 CZ PHE A 50 13.772 -2.212 0.013 1.00 0.00 C ATOM 0 H PHE A 50 7.245 -2.072 -0.117 1.00 0.00 H new ATOM 0 HA PHE A 50 8.996 -2.426 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.644 -0.432 -1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.201 -0.974 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.674 -3.318 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.871 -0.007 -1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.030 -3.837 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.226 -0.527 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 50 14.808 -2.440 0.214 1.00 0.00 H new ATOM 761 N THR A 51 10.090 -4.479 -1.719 1.00 0.00 N ATOM 762 CA THR A 51 10.630 -5.784 -1.366 1.00 0.00 C ATOM 763 C THR A 51 12.089 -5.699 -0.950 1.00 0.00 C ATOM 764 O THR A 51 12.937 -5.226 -1.708 1.00 0.00 O ATOM 765 CB THR A 51 10.522 -6.742 -2.549 1.00 0.00 C ATOM 766 OG1 THR A 51 9.182 -7.164 -2.743 1.00 0.00 O ATOM 767 CG2 THR A 51 11.380 -7.978 -2.386 1.00 0.00 C ATOM 0 H THR A 51 10.320 -4.172 -2.664 1.00 0.00 H new ATOM 0 HA THR A 51 10.043 -6.151 -0.524 1.00 0.00 H new ATOM 0 HB THR A 51 10.877 -6.179 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.139 -7.776 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.261 -8.621 -3.258 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.426 -7.685 -2.291 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.072 -8.519 -1.492 1.00 0.00 H new ATOM 775 N LYS A 52 12.385 -6.198 0.239 1.00 0.00 N ATOM 776 CA LYS A 52 13.751 -6.218 0.732 1.00 0.00 C ATOM 777 C LYS A 52 14.669 -6.787 -0.345 1.00 0.00 C ATOM 778 O LYS A 52 14.244 -7.604 -1.162 1.00 0.00 O ATOM 779 CB LYS A 52 13.841 -7.081 1.989 1.00 0.00 C ATOM 780 CG LYS A 52 13.430 -8.524 1.750 1.00 0.00 C ATOM 781 CD LYS A 52 12.259 -8.611 0.782 1.00 0.00 C ATOM 782 CE LYS A 52 11.856 -10.053 0.522 1.00 0.00 C ATOM 783 NZ LYS A 52 12.989 -10.994 0.741 1.00 0.00 N ATOM 0 H LYS A 52 11.698 -6.594 0.880 1.00 0.00 H new ATOM 0 HA LYS A 52 14.059 -5.201 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.863 -7.058 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.206 -6.652 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.276 -9.084 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.157 -8.989 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.409 -8.062 1.188 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.528 -8.132 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.028 -10.323 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.496 -10.150 -0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.728 -11.939 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.826 -10.655 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.205 -11.046 1.757 1.00 0.00 H new ATOM 797 N ALA A 53 15.920 -6.356 -0.348 1.00 0.00 N ATOM 798 CA ALA A 53 16.879 -6.831 -1.336 1.00 0.00 C ATOM 799 C ALA A 53 18.208 -6.089 -1.214 1.00 0.00 C ATOM 800 O ALA A 53 18.853 -6.121 -0.168 1.00 0.00 O ATOM 801 CB ALA A 53 16.302 -6.677 -2.736 1.00 0.00 C ATOM 0 H ALA A 53 16.295 -5.681 0.319 1.00 0.00 H new ATOM 0 HA ALA A 53 17.072 -7.887 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.025 -7.034 -3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.385 -7.260 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.082 -5.626 -2.925 1.00 0.00 H new ATOM 807 N ILE A 54 18.610 -5.425 -2.294 1.00 0.00 N ATOM 808 CA ILE A 54 19.862 -4.675 -2.321 1.00 0.00 C ATOM 809 C ILE A 54 21.010 -5.491 -1.741 1.00 0.00 C ATOM 810 O ILE A 54 22.072 -4.953 -1.430 1.00 0.00 O ATOM 811 CB ILE A 54 19.754 -3.337 -1.559 1.00 0.00 C ATOM 812 CG1 ILE A 54 18.954 -3.503 -0.264 1.00 0.00 C ATOM 813 CG2 ILE A 54 19.115 -2.278 -2.446 1.00 0.00 C ATOM 814 CD1 ILE A 54 19.780 -4.012 0.897 1.00 0.00 C ATOM 0 H ILE A 54 18.083 -5.391 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 54 20.066 -4.460 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 54 20.761 -3.015 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.514 -2.543 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.129 -4.193 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.044 -1.339 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 54 19.726 -2.133 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.117 -2.603 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.148 -4.105 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.199 -4.987 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.589 -3.312 1.102 1.00 0.00 H new ATOM 826 N ILE A 55 20.797 -6.796 -1.613 1.00 0.00 N ATOM 827 CA ILE A 55 21.821 -7.686 -1.085 1.00 0.00 C ATOM 828 C ILE A 55 22.603 -8.334 -2.223 1.00 0.00 C ATOM 829 O ILE A 55 23.507 -7.721 -2.792 1.00 0.00 O ATOM 830 CB ILE A 55 21.213 -8.782 -0.183 1.00 0.00 C ATOM 831 CG1 ILE A 55 22.258 -9.853 0.141 1.00 0.00 C ATOM 832 CG2 ILE A 55 19.990 -9.403 -0.842 1.00 0.00 C ATOM 833 CD1 ILE A 55 21.731 -10.965 1.022 1.00 0.00 C ATOM 0 H ILE A 55 19.925 -7.259 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 55 22.496 -7.082 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 55 20.897 -8.320 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.627 -10.282 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 55 23.108 -9.382 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.577 -10.173 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.239 -8.632 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 55 20.277 -9.850 -1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 55 22.525 -11.687 1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.388 -10.548 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.900 -11.462 0.522 1.00 0.00 H new ATOM 845 N SER A 56 22.246 -9.567 -2.560 1.00 0.00 N ATOM 846 CA SER A 56 22.910 -10.283 -3.640 1.00 0.00 C ATOM 847 C SER A 56 21.973 -10.450 -4.832 1.00 0.00 C ATOM 848 O SER A 56 22.206 -11.290 -5.700 1.00 0.00 O ATOM 849 CB SER A 56 23.387 -11.654 -3.156 1.00 0.00 C ATOM 850 OG SER A 56 22.455 -12.668 -3.496 1.00 0.00 O ATOM 0 H SER A 56 21.501 -10.091 -2.101 1.00 0.00 H new ATOM 0 HA SER A 56 23.774 -9.698 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 56 24.356 -11.883 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.528 -11.633 -2.075 1.00 0.00 H new ATOM 0 HG SER A 56 22.359 -12.711 -4.470 1.00 0.00 H new ATOM 856 N GLU A 57 20.908 -9.653 -4.865 1.00 0.00 N ATOM 857 CA GLU A 57 19.938 -9.731 -5.952 1.00 0.00 C ATOM 858 C GLU A 57 19.438 -8.348 -6.368 1.00 0.00 C ATOM 859 O GLU A 57 20.023 -7.711 -7.246 1.00 0.00 O ATOM 860 CB GLU A 57 18.758 -10.615 -5.545 1.00 0.00 C ATOM 861 CG GLU A 57 18.881 -11.184 -4.140 1.00 0.00 C ATOM 862 CD GLU A 57 18.234 -10.297 -3.097 1.00 0.00 C ATOM 863 OE1 GLU A 57 18.209 -9.064 -3.298 1.00 0.00 O ATOM 864 OE2 GLU A 57 17.751 -10.833 -2.077 1.00 0.00 O ATOM 0 H GLU A 57 20.696 -8.951 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 57 20.442 -10.173 -6.811 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.838 -10.034 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.669 -11.437 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.420 -12.171 -4.110 1.00 0.00 H new ATOM 0 HG3 GLU A 57 19.935 -11.317 -3.896 1.00 0.00 H new ATOM 871 N ASN A 58 18.353 -7.890 -5.742 1.00 0.00 N ATOM 872 CA ASN A 58 17.774 -6.591 -6.059 1.00 0.00 C ATOM 873 C ASN A 58 16.338 -6.523 -5.557 1.00 0.00 C ATOM 874 O ASN A 58 15.580 -7.485 -5.684 1.00 0.00 O ATOM 875 CB ASN A 58 17.807 -6.334 -7.567 1.00 0.00 C ATOM 876 CG ASN A 58 16.487 -6.661 -8.239 1.00 0.00 C ATOM 877 OD1 ASN A 58 16.086 -7.926 -8.175 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 15.834 -5.787 -8.808 1.00 0.00 N flip ATOM 0 H ASN A 58 17.859 -8.403 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 58 18.367 -5.823 -5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.055 -5.288 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.599 -6.932 -8.017 1.00 0.00 H new ATOM 0 HD21 ASN A 58 16.179 -4.828 -8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 58 14.947 -6.022 -9.254 1.00 0.00 H new ATOM 885 N PRO A 59 15.950 -5.390 -4.966 1.00 0.00 N ATOM 886 CA PRO A 59 14.615 -5.192 -4.428 1.00 0.00 C ATOM 887 C PRO A 59 13.670 -4.548 -5.431 1.00 0.00 C ATOM 888 O PRO A 59 14.107 -3.911 -6.390 1.00 0.00 O ATOM 889 CB PRO A 59 14.893 -4.257 -3.264 1.00 0.00 C ATOM 890 CG PRO A 59 16.010 -3.387 -3.745 1.00 0.00 C ATOM 891 CD PRO A 59 16.790 -4.199 -4.757 1.00 0.00 C ATOM 0 HA PRO A 59 14.119 -6.124 -4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.012 -3.668 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.177 -4.810 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.622 -2.474 -4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.650 -3.085 -2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.940 -3.646 -5.684 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.778 -4.466 -4.381 1.00 0.00 H new ATOM 899 N CYS A 60 12.372 -4.722 -5.211 1.00 0.00 N ATOM 900 CA CYS A 60 11.372 -4.159 -6.110 1.00 0.00 C ATOM 901 C CYS A 60 10.258 -3.452 -5.341 1.00 0.00 C ATOM 902 O CYS A 60 9.669 -4.020 -4.422 1.00 0.00 O ATOM 903 CB CYS A 60 10.775 -5.261 -6.987 1.00 0.00 C ATOM 904 SG CYS A 60 11.972 -6.071 -8.073 1.00 0.00 S ATOM 0 H CYS A 60 11.989 -5.245 -4.423 1.00 0.00 H new ATOM 0 HA CYS A 60 11.870 -3.420 -6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.316 -6.013 -6.345 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.979 -4.834 -7.597 1.00 0.00 H new ATOM 0 HG CYS A 60 11.372 -6.988 -8.772 1.00 0.00 H new ATOM 910 N ILE A 61 9.961 -2.218 -5.739 1.00 0.00 N ATOM 911 CA ILE A 61 8.902 -1.444 -5.102 1.00 0.00 C ATOM 912 C ILE A 61 7.703 -1.335 -6.027 1.00 0.00 C ATOM 913 O ILE A 61 7.777 -0.706 -7.083 1.00 0.00 O ATOM 914 CB ILE A 61 9.363 -0.025 -4.722 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.589 -0.096 -3.812 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.226 0.733 -4.043 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.764 -0.812 -4.442 1.00 0.00 C ATOM 0 H ILE A 61 10.439 -1.734 -6.499 1.00 0.00 H new ATOM 0 HA ILE A 61 8.632 -1.973 -4.188 1.00 0.00 H new ATOM 0 HB ILE A 61 9.640 0.513 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 61 10.892 0.916 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.317 -0.604 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.564 1.735 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.378 0.804 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.923 0.202 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.599 -0.826 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.478 -1.835 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.062 -0.291 -5.352 1.00 0.00 H new ATOM 929 N LYS A 62 6.600 -1.954 -5.635 1.00 0.00 N ATOM 930 CA LYS A 62 5.396 -1.924 -6.448 1.00 0.00 C ATOM 931 C LYS A 62 4.357 -0.982 -5.852 1.00 0.00 C ATOM 932 O LYS A 62 4.073 -1.026 -4.654 1.00 0.00 O ATOM 933 CB LYS A 62 4.815 -3.330 -6.592 1.00 0.00 C ATOM 934 CG LYS A 62 5.857 -4.387 -6.926 1.00 0.00 C ATOM 935 CD LYS A 62 5.212 -5.656 -7.458 1.00 0.00 C ATOM 936 CE LYS A 62 4.178 -5.348 -8.530 1.00 0.00 C ATOM 937 NZ LYS A 62 2.793 -5.648 -8.070 1.00 0.00 N ATOM 0 H LYS A 62 6.514 -2.480 -4.765 1.00 0.00 H new ATOM 0 HA LYS A 62 5.665 -1.552 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.315 -3.605 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.054 -3.322 -7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.552 -3.993 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.439 -4.620 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.980 -6.311 -7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.738 -6.196 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.248 -4.297 -8.810 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.398 -5.931 -9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.122 -5.018 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.560 -6.637 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.728 -5.499 -7.043 1.00 0.00 H new ATOM 951 N HIS A 63 3.796 -0.130 -6.702 1.00 0.00 N ATOM 952 CA HIS A 63 2.789 0.824 -6.269 1.00 0.00 C ATOM 953 C HIS A 63 1.389 0.253 -6.479 1.00 0.00 C ATOM 954 O HIS A 63 0.894 0.190 -7.604 1.00 0.00 O ATOM 955 CB HIS A 63 2.942 2.135 -7.041 1.00 0.00 C ATOM 956 CG HIS A 63 4.310 2.738 -6.932 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.332 2.754 -7.826 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 4.763 3.417 -5.824 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 6.411 3.439 -7.273 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 6.018 3.817 -6.072 1.00 0.00 N flip ATOM 0 H HIS A 63 4.023 -0.082 -7.695 1.00 0.00 H new ATOM 0 HA HIS A 63 2.929 1.020 -5.206 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.715 1.957 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.208 2.852 -6.673 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.206 3.596 -4.916 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.371 3.623 -7.732 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.594 4.345 -5.417 1.00 0.00 H new ATOM 968 N TYR A 64 0.764 -0.168 -5.388 1.00 0.00 N ATOM 969 CA TYR A 64 -0.572 -0.745 -5.438 1.00 0.00 C ATOM 970 C TYR A 64 -1.632 0.279 -5.079 1.00 0.00 C ATOM 971 O TYR A 64 -1.679 0.763 -3.949 1.00 0.00 O ATOM 972 CB TYR A 64 -0.670 -1.925 -4.477 1.00 0.00 C ATOM 973 CG TYR A 64 0.405 -2.945 -4.691 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.173 -2.923 -5.838 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.647 -3.927 -3.751 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.163 -3.859 -6.050 1.00 0.00 C ATOM 977 CE2 TYR A 64 1.634 -4.873 -3.948 1.00 0.00 C ATOM 978 CZ TYR A 64 2.390 -4.836 -5.102 1.00 0.00 C ATOM 979 OH TYR A 64 3.375 -5.773 -5.308 1.00 0.00 O ATOM 0 H TYR A 64 1.165 -0.120 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.747 -1.082 -6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.615 -1.557 -3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.643 -2.401 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.995 -2.160 -6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.055 -3.956 -2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.757 -3.828 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.813 -5.636 -3.205 1.00 0.00 H new ATOM 0 HH TYR A 64 2.998 -6.672 -5.204 1.00 0.00 H new ATOM 989 N HIS A 65 -2.499 0.592 -6.030 1.00 0.00 N ATOM 990 CA HIS A 65 -3.564 1.537 -5.769 1.00 0.00 C ATOM 991 C HIS A 65 -4.766 0.828 -5.198 1.00 0.00 C ATOM 992 O HIS A 65 -5.071 -0.304 -5.576 1.00 0.00 O ATOM 993 CB HIS A 65 -3.975 2.304 -7.020 1.00 0.00 C ATOM 994 CG HIS A 65 -4.202 3.744 -6.742 1.00 0.00 C ATOM 995 ND1 HIS A 65 -4.152 4.284 -5.485 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.490 4.760 -7.580 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.405 5.589 -5.593 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.618 5.933 -6.847 1.00 0.00 N ATOM 0 H HIS A 65 -2.484 0.210 -6.975 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.180 2.257 -5.046 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.200 2.200 -7.780 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.885 1.867 -7.430 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.956 3.779 -4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.603 4.675 -8.651 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.432 6.276 -4.760 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.457 1.495 -4.293 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.636 0.907 -3.691 1.00 0.00 C ATOM 1008 C ILE A 66 -7.861 1.301 -4.488 1.00 0.00 C ATOM 1009 O ILE A 66 -8.334 2.426 -4.391 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.818 1.354 -2.225 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.483 1.787 -1.618 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.428 0.231 -1.403 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.294 1.031 -2.167 1.00 0.00 C ATOM 0 H ILE A 66 -5.226 2.432 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.508 -0.175 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.494 2.209 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.340 2.852 -1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.523 1.649 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.551 0.560 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.401 -0.036 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.771 -0.638 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.382 1.391 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.414 -0.033 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.228 1.189 -3.243 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.374 0.363 -5.267 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.548 0.618 -6.081 1.00 0.00 C ATOM 1027 C LYS A 67 -10.790 0.633 -5.207 1.00 0.00 C ATOM 1028 O LYS A 67 -10.822 -0.025 -4.171 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.677 -0.440 -7.174 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.680 -0.077 -8.257 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.998 0.571 -9.450 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.318 1.875 -9.062 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.356 2.332 -10.104 1.00 0.00 N ATOM 0 H LYS A 67 -7.996 -0.580 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.442 1.592 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.701 -0.597 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.972 -1.386 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.208 -0.974 -8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.427 0.604 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.261 -0.115 -9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.733 0.761 -10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.073 2.645 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.793 1.743 -8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.914 3.223 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.621 1.609 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.861 2.483 -11.001 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.802 1.388 -5.631 1.00 0.00 N ATOM 1048 CA GLU A 68 -13.049 1.501 -4.880 1.00 0.00 C ATOM 1049 C GLU A 68 -14.206 0.900 -5.672 1.00 0.00 C ATOM 1050 O GLU A 68 -14.317 1.112 -6.879 1.00 0.00 O ATOM 1051 CB GLU A 68 -13.346 2.973 -4.574 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.204 3.702 -3.886 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.045 5.128 -4.379 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -11.441 5.319 -5.456 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.527 6.051 -3.689 1.00 0.00 O ATOM 0 H GLU A 68 -11.781 1.932 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.939 0.952 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.583 3.487 -5.506 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.233 3.031 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.378 3.710 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.275 3.157 -4.054 1.00 0.00 H new ATOM 1062 N THR A 69 -15.062 0.142 -4.990 1.00 0.00 N ATOM 1063 CA THR A 69 -16.198 -0.492 -5.646 1.00 0.00 C ATOM 1064 C THR A 69 -17.446 -0.422 -4.771 1.00 0.00 C ATOM 1065 O THR A 69 -17.381 -0.013 -3.611 1.00 0.00 O ATOM 1066 CB THR A 69 -15.871 -1.949 -5.973 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.508 -2.823 -5.057 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.388 -2.251 -5.944 1.00 0.00 C ATOM 0 H THR A 69 -14.990 -0.046 -3.990 1.00 0.00 H new ATOM 0 HA THR A 69 -16.399 0.048 -6.572 1.00 0.00 H new ATOM 0 HB THR A 69 -16.236 -2.107 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.176 -2.647 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.226 -3.302 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.875 -1.628 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.993 -2.042 -4.950 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.579 -0.832 -5.331 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.840 -0.824 -4.599 1.00 0.00 C ATOM 1078 C ASN A 70 -19.910 -2.005 -3.639 1.00 0.00 C ATOM 1079 O ASN A 70 -20.781 -2.866 -3.762 1.00 0.00 O ATOM 1080 CB ASN A 70 -21.018 -0.873 -5.571 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.736 0.458 -5.679 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -21.906 1.132 -4.548 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -22.132 0.875 -6.767 1.00 0.00 N flip ATOM 0 H ASN A 70 -18.650 -1.174 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.894 0.099 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.660 -1.170 -6.557 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.723 -1.637 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.979 0.323 -7.611 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.613 1.773 -6.825 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.985 -2.040 -2.687 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.937 -3.120 -1.710 1.00 0.00 C ATOM 1092 C ASP A 71 -18.995 -4.478 -2.403 1.00 0.00 C ATOM 1093 O ASP A 71 -18.822 -4.571 -3.619 1.00 0.00 O ATOM 1094 CB ASP A 71 -20.088 -2.989 -0.711 1.00 0.00 C ATOM 1095 CG ASP A 71 -21.445 -3.159 -1.365 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -21.852 -4.317 -1.599 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -22.102 -2.134 -1.642 1.00 0.00 O ATOM 0 H ASP A 71 -18.259 -1.333 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.993 -3.047 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.970 -3.736 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -20.039 -2.012 -0.231 1.00 0.00 H new ATOM 1102 N SER A 72 -19.232 -5.525 -1.625 1.00 0.00 N ATOM 1103 CA SER A 72 -19.306 -6.877 -2.163 1.00 0.00 C ATOM 1104 C SER A 72 -18.040 -7.224 -2.941 1.00 0.00 C ATOM 1105 O SER A 72 -18.057 -7.313 -4.168 1.00 0.00 O ATOM 1106 CB SER A 72 -20.530 -7.024 -3.069 1.00 0.00 C ATOM 1107 OG SER A 72 -20.782 -8.386 -3.367 1.00 0.00 O ATOM 0 H SER A 72 -19.377 -5.464 -0.617 1.00 0.00 H new ATOM 0 HA SER A 72 -19.398 -7.568 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.402 -6.588 -2.582 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.371 -6.469 -3.994 1.00 0.00 H new ATOM 0 HG SER A 72 -21.570 -8.454 -3.946 1.00 0.00 H new ATOM 1113 N PRO A 73 -16.920 -7.423 -2.229 1.00 0.00 N ATOM 1114 CA PRO A 73 -16.875 -7.323 -0.766 1.00 0.00 C ATOM 1115 C PRO A 73 -17.130 -5.900 -0.273 1.00 0.00 C ATOM 1116 O PRO A 73 -18.211 -5.590 0.226 1.00 0.00 O ATOM 1117 CB PRO A 73 -15.447 -7.761 -0.408 1.00 0.00 C ATOM 1118 CG PRO A 73 -14.913 -8.421 -1.636 1.00 0.00 C ATOM 1119 CD PRO A 73 -15.608 -7.765 -2.793 1.00 0.00 C ATOM 0 HA PRO A 73 -17.648 -7.934 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.834 -6.906 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.448 -8.448 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.833 -8.296 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.109 -9.493 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.073 -6.881 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.697 -8.437 -3.646 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.121 -5.045 -0.398 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.230 -3.658 0.046 1.00 0.00 C ATOM 1129 C LYS A 74 -15.961 -2.672 -1.087 1.00 0.00 C ATOM 1130 O LYS A 74 -16.260 -2.948 -2.250 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.278 -3.404 1.213 1.00 0.00 C ATOM 1132 CG LYS A 74 -14.775 -4.680 1.860 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.924 -5.560 2.302 1.00 0.00 C ATOM 1134 CE LYS A 74 -16.406 -5.166 3.684 1.00 0.00 C ATOM 1135 NZ LYS A 74 -15.772 -5.991 4.750 1.00 0.00 N ATOM 0 H LYS A 74 -15.217 -5.287 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.256 -3.497 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.426 -2.823 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.787 -2.799 1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.147 -5.225 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.151 -4.434 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.745 -5.479 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.608 -6.603 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.184 -4.113 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.489 -5.276 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.128 -5.690 5.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.005 -6.993 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.740 -5.866 4.718 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.437 -1.505 -0.730 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.171 -0.449 -1.705 1.00 0.00 C ATOM 1151 C ARG A 75 -13.765 -0.503 -2.295 1.00 0.00 C ATOM 1152 O ARG A 75 -13.603 -0.678 -3.502 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.396 0.919 -1.064 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.784 1.483 -1.315 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.991 2.799 -0.585 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.497 2.745 0.788 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.801 3.646 1.716 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.596 4.664 1.419 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.312 3.528 2.942 1.00 0.00 N ATOM 0 H ARG A 75 -15.187 -1.264 0.229 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.867 -0.611 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.233 0.839 0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.653 1.618 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.929 1.633 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.535 0.763 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.480 3.597 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.052 3.048 -0.579 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.884 1.972 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.976 4.757 0.477 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.828 5.355 2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.701 2.745 3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.546 4.220 3.653 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.754 -0.298 -1.460 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.377 -0.263 -1.943 1.00 0.00 C ATOM 1175 C TYR A 76 -10.722 -1.640 -2.041 1.00 0.00 C ATOM 1176 O TYR A 76 -11.012 -2.545 -1.264 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.553 0.663 -1.058 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.314 1.902 -0.667 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.516 2.209 -1.287 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.842 2.756 0.316 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.230 3.332 -0.942 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.552 3.887 0.671 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.747 4.171 0.040 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.458 5.296 0.392 1.00 0.00 O ATOM 0 H TYR A 76 -12.858 -0.155 -0.455 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.409 0.119 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.248 0.127 -0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.642 0.949 -1.583 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.898 1.553 -2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.908 2.535 0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.163 3.556 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.174 4.546 1.439 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.980 5.777 1.099 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.819 -1.765 -3.015 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.072 -3.007 -3.262 1.00 0.00 C ATOM 1196 C TYR A 77 -7.912 -2.745 -4.223 1.00 0.00 C ATOM 1197 O TYR A 77 -7.943 -1.786 -4.991 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.981 -4.094 -3.846 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.353 -3.854 -5.286 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.268 -2.862 -5.614 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.795 -4.608 -6.316 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.622 -2.620 -6.924 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.148 -4.367 -7.634 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.059 -3.373 -7.931 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.408 -3.138 -9.240 1.00 0.00 O ATOM 0 H TYR A 77 -9.582 -1.009 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.683 -3.356 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.480 -5.059 -3.764 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.891 -4.156 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.711 -2.269 -4.828 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.082 -5.386 -6.086 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.336 -1.845 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.711 -4.956 -8.427 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.598 -3.045 -9.783 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.890 -3.597 -4.182 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.732 -3.432 -5.058 1.00 0.00 C ATOM 1217 C VAL A 78 -5.392 -4.715 -5.796 1.00 0.00 C ATOM 1218 O VAL A 78 -4.292 -5.244 -5.651 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.483 -2.995 -4.280 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.712 -1.659 -3.600 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.088 -4.060 -3.269 1.00 0.00 C ATOM 0 H VAL A 78 -6.839 -4.402 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.014 -2.658 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.662 -2.874 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.814 -1.370 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.940 -0.903 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.547 -1.743 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.201 -3.735 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.907 -4.216 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.873 -4.994 -3.789 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.331 -5.202 -6.590 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.122 -6.421 -7.355 1.00 0.00 C ATOM 1233 C ALA A 79 -7.436 -7.148 -7.573 1.00 0.00 C ATOM 1234 O ALA A 79 -7.480 -8.377 -7.526 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.149 -7.349 -6.637 1.00 0.00 C ATOM 0 H ALA A 79 -7.246 -4.772 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.702 -6.139 -8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.007 -8.255 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.191 -6.845 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.552 -7.612 -5.659 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.517 -6.398 -7.777 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.814 -7.035 -7.949 1.00 0.00 C ATOM 1243 C GLU A 80 -9.792 -8.288 -7.105 1.00 0.00 C ATOM 1244 O GLU A 80 -10.334 -9.332 -7.470 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.067 -7.378 -9.419 1.00 0.00 C ATOM 1246 CG GLU A 80 -10.797 -6.286 -10.184 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.222 -6.730 -11.570 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -12.302 -7.348 -11.691 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -10.477 -6.461 -12.535 1.00 0.00 O ATOM 0 H GLU A 80 -8.521 -5.379 -7.826 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.618 -6.367 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.112 -7.575 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.648 -8.298 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.677 -5.978 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.151 -5.412 -10.269 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.082 -8.165 -5.990 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.867 -9.262 -5.073 1.00 0.00 C ATOM 1258 C LYS A 81 -9.775 -9.196 -3.841 1.00 0.00 C ATOM 1259 O LYS A 81 -10.752 -9.939 -3.747 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.382 -9.273 -4.702 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.936 -8.208 -3.715 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.434 -8.051 -3.764 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.735 -9.401 -3.738 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.589 -9.931 -2.355 1.00 0.00 N ATOM 0 H LYS A 81 -8.639 -7.293 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.137 -10.199 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.139 -10.251 -4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.798 -9.161 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.417 -7.258 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.248 -8.482 -2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.152 -7.511 -4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.101 -7.451 -2.917 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.300 -10.113 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.750 -9.307 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.414 -10.956 -2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.789 -9.460 -1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.461 -9.748 -1.819 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.458 -8.312 -2.903 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.253 -8.163 -1.695 1.00 0.00 C ATOM 1280 C TYR A 82 -10.516 -6.692 -1.433 1.00 0.00 C ATOM 1281 O TYR A 82 -9.613 -5.953 -1.041 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.556 -8.766 -0.467 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.578 -9.897 -0.734 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.004 -10.103 -1.983 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.215 -10.754 0.297 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.104 -11.129 -2.197 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.316 -11.778 0.094 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.761 -11.963 -1.156 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.863 -12.986 -1.363 1.00 0.00 O ATOM 0 H TYR A 82 -8.654 -7.687 -2.958 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.188 -8.699 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.023 -7.968 0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.323 -9.131 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.266 -9.449 -2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.646 -10.615 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.672 -11.276 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.047 -12.433 0.909 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.730 -13.479 -0.526 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.747 -6.265 -1.650 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.100 -4.876 -1.431 1.00 0.00 C ATOM 1301 C VAL A 83 -12.307 -4.588 0.049 1.00 0.00 C ATOM 1302 O VAL A 83 -12.559 -5.495 0.841 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.360 -4.483 -2.222 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.497 -2.973 -2.285 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.319 -5.081 -3.621 1.00 0.00 C ATOM 0 H VAL A 83 -12.513 -6.855 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.266 -4.274 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.233 -4.884 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.393 -2.712 -2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.574 -2.572 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.622 -2.549 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.218 -4.793 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.440 -4.711 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -13.270 -6.168 -3.551 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.180 -3.319 0.415 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.340 -2.898 1.798 1.00 0.00 C ATOM 1317 C PHE A 84 -12.924 -1.493 1.871 1.00 0.00 C ATOM 1318 O PHE A 84 -12.926 -0.755 0.883 1.00 0.00 O ATOM 1319 CB PHE A 84 -10.998 -2.967 2.525 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.397 -4.343 2.497 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.661 -4.766 1.403 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.579 -5.218 3.556 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.121 -6.035 1.361 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.037 -6.491 3.522 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.308 -6.901 2.421 1.00 0.00 C ATOM 0 H PHE A 84 -11.965 -2.560 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.038 -3.576 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.304 -2.262 2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.133 -2.654 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.508 -4.094 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.150 -4.903 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.552 -6.351 0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.183 -7.163 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.886 -7.895 2.390 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.435 -1.134 3.043 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.040 0.176 3.243 1.00 0.00 C ATOM 1337 C ASP A 85 -12.980 1.250 3.452 1.00 0.00 C ATOM 1338 O ASP A 85 -13.299 2.385 3.804 1.00 0.00 O ATOM 1339 CB ASP A 85 -14.991 0.144 4.442 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.433 0.391 4.042 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.905 -0.262 3.087 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -17.090 1.238 4.684 1.00 0.00 O ATOM 0 H ASP A 85 -13.442 -1.732 3.869 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.603 0.423 2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -14.915 -0.824 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.683 0.898 5.167 1.00 0.00 H new ATOM 1347 N SER A 86 -11.722 0.890 3.231 1.00 0.00 N ATOM 1348 CA SER A 86 -10.628 1.838 3.397 1.00 0.00 C ATOM 1349 C SER A 86 -9.268 1.153 3.304 1.00 0.00 C ATOM 1350 O SER A 86 -9.130 -0.056 3.555 1.00 0.00 O ATOM 1351 CB SER A 86 -10.754 2.567 4.737 1.00 0.00 C ATOM 1352 OG SER A 86 -10.430 1.713 5.819 1.00 0.00 O ATOM 0 H SER A 86 -11.435 -0.044 2.939 1.00 0.00 H new ATOM 0 HA SER A 86 -10.696 2.561 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.094 3.434 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.771 2.939 4.857 1.00 0.00 H new ATOM 0 HG SER A 86 -11.028 1.899 6.573 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.261 1.941 2.946 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.910 1.434 2.821 1.00 0.00 C ATOM 1360 C ILE A 87 -6.479 0.725 4.096 1.00 0.00 C ATOM 1361 O ILE A 87 -5.930 -0.370 4.046 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.903 2.561 2.525 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.108 3.130 1.122 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.483 2.041 2.677 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.357 2.633 0.434 1.00 0.00 C ATOM 0 H ILE A 87 -8.360 2.935 2.738 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.915 0.732 1.987 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.071 3.365 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.148 4.217 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.243 2.878 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.777 2.844 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.333 1.685 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.319 1.221 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.430 3.083 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.312 1.548 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.231 2.909 1.023 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.719 1.337 5.266 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.335 0.744 6.545 1.00 0.00 C ATOM 1379 C PRO A 88 -6.855 -0.675 6.697 1.00 0.00 C ATOM 1380 O PRO A 88 -6.094 -1.584 7.026 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.966 1.667 7.595 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.883 2.577 6.843 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.362 2.643 5.435 1.00 0.00 C ATOM 0 HA PRO A 88 -5.252 0.666 6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.513 1.092 8.342 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.202 2.234 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.905 2.198 6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.902 3.568 7.296 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.165 2.795 4.713 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.655 3.462 5.303 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.136 -0.883 6.418 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.688 -2.225 6.494 1.00 0.00 C ATOM 1393 C LEU A 89 -8.122 -3.011 5.330 1.00 0.00 C ATOM 1394 O LEU A 89 -7.620 -4.128 5.492 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.220 -2.235 6.446 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.905 -0.877 6.582 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.360 -0.386 5.220 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.087 -0.974 7.535 1.00 0.00 C ATOM 0 H LEU A 89 -8.797 -0.157 6.143 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.412 -2.671 7.450 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.531 -2.683 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.584 -2.884 7.242 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.191 -0.162 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.847 0.583 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.497 -0.287 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.063 -1.101 4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.565 0.002 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.806 -1.698 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.738 -1.296 8.516 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.161 -2.385 4.155 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.610 -2.994 2.961 1.00 0.00 C ATOM 1412 C LEU A 90 -6.147 -3.345 3.216 1.00 0.00 C ATOM 1413 O LEU A 90 -5.655 -4.385 2.784 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.742 -2.036 1.778 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.529 -2.669 0.404 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.658 -2.286 -0.537 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.186 -2.247 -0.172 1.00 0.00 C ATOM 0 H LEU A 90 -8.568 -1.461 4.011 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.158 -3.905 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.735 -1.586 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.022 -1.227 1.904 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.529 -3.753 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.491 -2.745 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.606 -2.636 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.688 -1.202 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.049 -2.706 -1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.158 -1.162 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.386 -2.570 0.495 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.472 -2.471 3.961 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.080 -2.683 4.329 1.00 0.00 C ATOM 1431 C ILE A 91 -4.009 -3.659 5.489 1.00 0.00 C ATOM 1432 O ILE A 91 -3.236 -4.617 5.472 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.381 -1.371 4.744 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.474 -0.338 3.625 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -1.922 -1.642 5.089 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.913 -0.839 2.322 1.00 0.00 C ATOM 0 H ILE A 91 -5.873 -1.605 4.322 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.567 -3.079 3.453 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.885 -0.973 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.517 -0.057 3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.939 0.563 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.438 -0.710 5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.869 -2.352 5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.414 -2.058 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.006 -0.062 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.861 -1.094 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.465 -1.724 2.005 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.841 -3.408 6.495 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.901 -4.261 7.667 1.00 0.00 C ATOM 1450 C GLN A 92 -5.154 -5.698 7.242 1.00 0.00 C ATOM 1451 O GLN A 92 -4.609 -6.634 7.826 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.000 -3.787 8.620 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.598 -2.584 9.456 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.095 -2.402 9.527 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.488 -2.050 8.400 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -3.486 -2.575 10.583 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.484 -2.616 6.518 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.947 -4.207 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.889 -3.537 8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.273 -4.607 9.285 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.050 -1.686 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.995 -2.698 10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.993 -2.845 11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.474 -2.448 10.615 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.969 -5.866 6.202 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.266 -7.192 5.690 1.00 0.00 C ATOM 1467 C TYR A 93 -5.012 -7.796 5.072 1.00 0.00 C ATOM 1468 O TYR A 93 -4.699 -8.965 5.301 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.386 -7.129 4.659 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.964 -7.589 3.287 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.734 -8.933 3.021 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.803 -6.678 2.255 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.356 -9.353 1.762 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.426 -7.089 0.997 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.204 -8.427 0.752 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.833 -8.840 -0.505 1.00 0.00 O ATOM 0 H TYR A 93 -6.430 -5.104 5.704 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.597 -7.823 6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.219 -7.744 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.752 -6.105 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.853 -9.660 3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.976 -5.628 2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.180 -10.401 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.304 -6.366 0.204 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.451 -8.084 -0.998 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.279 -6.987 4.304 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.048 -7.456 3.687 1.00 0.00 C ATOM 1488 C HIS A 94 -1.975 -7.645 4.750 1.00 0.00 C ATOM 1489 O HIS A 94 -1.285 -8.663 4.786 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.530 -6.460 2.656 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.357 -6.340 1.421 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.975 -5.268 0.878 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.582 -7.392 0.561 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -4.555 -5.687 -0.295 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.300 -6.974 -0.462 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.517 -6.016 4.099 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.268 -8.402 3.192 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.461 -5.478 3.125 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.519 -6.749 2.371 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.005 -4.325 1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.226 -8.402 0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.126 -5.067 -0.970 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.838 -6.639 5.609 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.845 -6.670 6.673 1.00 0.00 C ATOM 1506 C GLN A 95 -0.905 -7.995 7.426 1.00 0.00 C ATOM 1507 O GLN A 95 0.104 -8.479 7.937 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.073 -5.512 7.645 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.136 -4.152 6.968 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.027 -3.222 7.420 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.465 -2.401 6.499 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 0.382 -3.242 8.580 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.405 -5.791 5.587 1.00 0.00 H new ATOM 0 HA GLN A 95 0.142 -6.568 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.003 -5.682 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.271 -5.504 8.383 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.075 -4.285 5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.101 -3.690 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.026 -3.890 9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.129 -2.610 8.868 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.102 -8.576 7.489 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.306 -9.845 8.177 1.00 0.00 C ATOM 1523 C TYR A 96 -2.605 -10.961 7.179 1.00 0.00 C ATOM 1524 O TYR A 96 -1.722 -11.742 6.822 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.454 -9.723 9.181 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.089 -8.954 10.432 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.875 -7.582 10.388 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.960 -9.600 11.655 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.543 -6.875 11.529 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.628 -8.900 12.800 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.421 -7.538 12.731 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.092 -6.837 13.869 1.00 0.00 O ATOM 0 H TYR A 96 -2.946 -8.185 7.070 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.389 -10.094 8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.298 -9.232 8.697 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.786 -10.722 9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.969 -7.059 9.448 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.122 -10.666 11.712 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.380 -5.809 11.478 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.531 -9.417 13.743 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.047 -7.452 14.631 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.857 -11.030 6.734 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.277 -12.049 5.776 1.00 0.00 C ATOM 1544 C ASN A 97 -3.217 -12.260 4.700 1.00 0.00 C ATOM 1545 O ASN A 97 -2.280 -11.471 4.575 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.605 -11.652 5.129 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.669 -11.315 6.154 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.381 -11.596 7.420 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -7.738 -10.808 5.812 1.00 0.00 N flip ATOM 0 H ASN A 97 -4.599 -10.392 7.022 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.408 -12.986 6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.446 -10.792 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.957 -12.468 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.916 -10.609 4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.445 -10.587 6.513 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.368 -13.331 3.928 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.415 -13.629 2.876 1.00 0.00 C ATOM 1558 C GLY A 98 -2.630 -12.789 1.630 1.00 0.00 C ATOM 1559 O GLY A 98 -3.001 -13.311 0.578 1.00 0.00 O ATOM 0 H GLY A 98 -4.135 -13.999 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.405 -13.463 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.489 -14.684 2.614 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.389 -11.487 1.746 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.556 -10.595 0.612 1.00 0.00 C ATOM 1565 C GLY A 99 -1.632 -10.948 -0.538 1.00 0.00 C ATOM 1566 O GLY A 99 -0.410 -10.854 -0.413 1.00 0.00 O ATOM 0 H GLY A 99 -2.081 -11.033 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.590 -10.635 0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.364 -9.569 0.928 1.00 0.00 H new ATOM 1570 N GLY A 100 -2.214 -11.356 -1.662 1.00 0.00 N ATOM 1571 CA GLY A 100 -1.420 -11.719 -2.822 1.00 0.00 C ATOM 1572 C GLY A 100 -0.301 -10.732 -3.095 1.00 0.00 C ATOM 1573 O GLY A 100 0.649 -11.043 -3.814 1.00 0.00 O ATOM 0 H GLY A 100 -3.222 -11.442 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.995 -12.711 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.068 -11.779 -3.697 1.00 0.00 H new ATOM 1577 N LEU A 101 -0.414 -9.539 -2.520 1.00 0.00 N ATOM 1578 CA LEU A 101 0.594 -8.501 -2.703 1.00 0.00 C ATOM 1579 C LEU A 101 2.000 -9.071 -2.530 1.00 0.00 C ATOM 1580 O LEU A 101 2.166 -10.236 -2.170 1.00 0.00 O ATOM 1581 CB LEU A 101 0.362 -7.367 -1.704 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.610 -6.282 -2.169 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -2.003 -6.861 -2.363 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.639 -5.136 -1.172 1.00 0.00 C ATOM 0 H LEU A 101 -1.195 -9.267 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 101 0.505 -8.111 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.012 -7.794 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.321 -6.901 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.265 -5.895 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.681 -6.074 -2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.968 -7.650 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.360 -7.274 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.335 -4.371 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.961 -5.508 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.358 -4.705 -1.084 1.00 0.00 H new ATOM 1596 N VAL A 102 3.009 -8.243 -2.791 1.00 0.00 N ATOM 1597 CA VAL A 102 4.398 -8.673 -2.664 1.00 0.00 C ATOM 1598 C VAL A 102 4.580 -9.580 -1.455 1.00 0.00 C ATOM 1599 O VAL A 102 5.349 -10.539 -1.496 1.00 0.00 O ATOM 1600 CB VAL A 102 5.357 -7.474 -2.534 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.397 -6.675 -3.825 1.00 0.00 C ATOM 1602 CG2 VAL A 102 4.957 -6.593 -1.360 1.00 0.00 C ATOM 0 H VAL A 102 2.891 -7.275 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 102 4.639 -9.222 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 102 6.360 -7.856 -2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.080 -5.833 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.741 -7.314 -4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.398 -6.303 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.646 -5.752 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.944 -6.220 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.993 -7.175 -0.439 1.00 0.00 H new ATOM 1612 N THR A 103 3.868 -9.268 -0.379 1.00 0.00 N ATOM 1613 CA THR A 103 3.954 -10.056 0.842 1.00 0.00 C ATOM 1614 C THR A 103 2.868 -9.645 1.830 1.00 0.00 C ATOM 1615 O THR A 103 3.138 -9.445 3.014 1.00 0.00 O ATOM 1616 CB THR A 103 5.332 -9.895 1.482 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.257 -10.067 2.885 1.00 0.00 O ATOM 1618 CG2 THR A 103 5.961 -8.544 1.217 1.00 0.00 C ATOM 0 H THR A 103 3.226 -8.477 -0.328 1.00 0.00 H new ATOM 0 HA THR A 103 3.805 -11.104 0.581 1.00 0.00 H new ATOM 0 HB THR A 103 5.955 -10.663 1.024 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.530 -9.516 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.937 -8.496 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.080 -8.402 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.320 -7.759 1.618 1.00 0.00 H new ATOM 1626 N ARG A 104 1.641 -9.524 1.334 1.00 0.00 N ATOM 1627 CA ARG A 104 0.512 -9.143 2.173 1.00 0.00 C ATOM 1628 C ARG A 104 0.912 -8.060 3.172 1.00 0.00 C ATOM 1629 O ARG A 104 0.999 -8.317 4.372 1.00 0.00 O ATOM 1630 CB ARG A 104 -0.021 -10.367 2.922 1.00 0.00 C ATOM 1631 CG ARG A 104 1.035 -11.073 3.760 1.00 0.00 C ATOM 1632 CD ARG A 104 0.447 -11.645 5.040 1.00 0.00 C ATOM 1633 NE ARG A 104 1.313 -11.409 6.193 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.616 -11.673 6.205 1.00 0.00 C ATOM 1635 NH1 ARG A 104 3.203 -12.193 5.135 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.334 -11.419 7.291 1.00 0.00 N ATOM 0 H ARG A 104 1.404 -9.684 0.355 1.00 0.00 H new ATOM 0 HA ARG A 104 -0.270 -8.743 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.841 -10.058 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.433 -11.073 2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.486 -11.875 3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.832 -10.372 4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.530 -11.197 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.288 -12.717 4.919 1.00 0.00 H new ATOM 0 HE ARG A 104 0.894 -11.019 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.654 -12.392 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.203 -12.394 5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.886 -11.021 8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.334 -11.622 7.300 1.00 0.00 H new ATOM 1650 N LEU A 105 1.161 -6.851 2.673 1.00 0.00 N ATOM 1651 CA LEU A 105 1.555 -5.748 3.541 1.00 0.00 C ATOM 1652 C LEU A 105 2.461 -6.270 4.645 1.00 0.00 C ATOM 1653 O LEU A 105 2.031 -6.474 5.780 1.00 0.00 O ATOM 1654 CB LEU A 105 0.322 -5.071 4.134 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.529 -4.309 3.127 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.054 -2.940 2.935 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -0.594 -5.039 1.794 1.00 0.00 C ATOM 0 H LEU A 105 1.097 -6.613 1.683 1.00 0.00 H new ATOM 0 HA LEU A 105 2.099 -5.007 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.297 -5.829 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.643 -4.381 4.915 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.546 -4.233 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.548 -2.386 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.060 -2.410 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.075 -3.028 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.209 -4.470 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.412 -5.145 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.032 -6.026 1.941 1.00 0.00 H new ATOM 1669 N ARG A 106 3.713 -6.513 4.284 1.00 0.00 N ATOM 1670 CA ARG A 106 4.693 -7.048 5.222 1.00 0.00 C ATOM 1671 C ARG A 106 5.135 -6.012 6.245 1.00 0.00 C ATOM 1672 O ARG A 106 5.378 -6.347 7.404 1.00 0.00 O ATOM 1673 CB ARG A 106 5.914 -7.579 4.468 1.00 0.00 C ATOM 1674 CG ARG A 106 7.120 -7.827 5.361 1.00 0.00 C ATOM 1675 CD ARG A 106 6.755 -8.663 6.577 1.00 0.00 C ATOM 1676 NE ARG A 106 7.875 -8.793 7.505 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.736 -8.880 8.823 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.527 -8.860 9.367 1.00 0.00 N ATOM 1679 NH2 ARG A 106 8.805 -8.987 9.600 1.00 0.00 N ATOM 0 H ARG A 106 4.076 -6.348 3.345 1.00 0.00 H new ATOM 0 HA ARG A 106 4.209 -7.862 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.645 -8.509 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.189 -6.866 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.898 -8.335 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.535 -6.873 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.909 -8.206 7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.435 -9.653 6.254 1.00 0.00 H new ATOM 0 HE ARG A 106 8.819 -8.818 7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.702 -8.778 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.422 -8.927 10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.737 -9.003 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.695 -9.054 10.612 1.00 0.00 H new ATOM 1693 N TYR A 107 5.255 -4.757 5.826 1.00 0.00 N ATOM 1694 CA TYR A 107 5.691 -3.714 6.745 1.00 0.00 C ATOM 1695 C TYR A 107 5.407 -2.310 6.219 1.00 0.00 C ATOM 1696 O TYR A 107 6.208 -1.735 5.481 1.00 0.00 O ATOM 1697 CB TYR A 107 7.186 -3.866 7.028 1.00 0.00 C ATOM 1698 CG TYR A 107 7.691 -2.955 8.123 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.161 -3.020 9.406 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.694 -2.025 7.873 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.618 -2.186 10.409 1.00 0.00 C ATOM 1702 CE2 TYR A 107 9.156 -1.189 8.874 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.614 -1.274 10.137 1.00 0.00 C ATOM 1704 OH TYR A 107 9.070 -0.441 11.133 1.00 0.00 O ATOM 0 H TYR A 107 5.061 -4.442 4.876 1.00 0.00 H new ATOM 0 HA TYR A 107 5.118 -3.836 7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.392 -4.900 7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.743 -3.664 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.380 -3.733 9.623 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.119 -1.954 6.883 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.196 -2.249 11.401 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.938 -0.473 8.666 1.00 0.00 H new ATOM 0 HH TYR A 107 9.774 0.141 10.776 1.00 0.00 H new ATOM 1714 N PRO A 108 4.262 -1.734 6.611 1.00 0.00 N ATOM 1715 CA PRO A 108 3.869 -0.381 6.210 1.00 0.00 C ATOM 1716 C PRO A 108 4.960 0.651 6.485 1.00 0.00 C ATOM 1717 O PRO A 108 5.236 0.975 7.640 1.00 0.00 O ATOM 1718 CB PRO A 108 2.650 -0.084 7.098 1.00 0.00 C ATOM 1719 CG PRO A 108 2.657 -1.145 8.145 1.00 0.00 C ATOM 1720 CD PRO A 108 3.253 -2.342 7.481 1.00 0.00 C ATOM 0 HA PRO A 108 3.672 -0.324 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.721 0.908 7.543 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.727 -0.109 6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.245 -0.841 9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.648 -1.353 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.696 -3.030 8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.512 -2.906 6.915 1.00 0.00 H new ATOM 1728 N VAL A 109 5.564 1.181 5.428 1.00 0.00 N ATOM 1729 CA VAL A 109 6.599 2.191 5.573 1.00 0.00 C ATOM 1730 C VAL A 109 5.974 3.576 5.487 1.00 0.00 C ATOM 1731 O VAL A 109 5.154 3.838 4.607 1.00 0.00 O ATOM 1732 CB VAL A 109 7.686 2.045 4.497 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.509 3.091 3.415 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.067 2.141 5.117 1.00 0.00 C ATOM 0 H VAL A 109 5.353 0.927 4.463 1.00 0.00 H new ATOM 0 HA VAL A 109 7.071 2.055 6.546 1.00 0.00 H new ATOM 0 HB VAL A 109 7.586 1.061 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.288 2.971 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.532 2.970 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.580 4.086 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.823 2.035 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.181 3.109 5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.191 1.347 5.854 1.00 0.00 H new ATOM 1744 N CYS A 110 6.337 4.452 6.414 1.00 0.00 N ATOM 1745 CA CYS A 110 5.780 5.792 6.445 1.00 0.00 C ATOM 1746 C CYS A 110 6.883 6.843 6.374 1.00 0.00 C ATOM 1747 O CYS A 110 7.371 7.326 7.396 1.00 0.00 O ATOM 1748 CB CYS A 110 4.933 5.977 7.713 1.00 0.00 C ATOM 1749 SG CYS A 110 5.871 6.499 9.169 1.00 0.00 S ATOM 0 H CYS A 110 7.014 4.257 7.152 1.00 0.00 H new ATOM 0 HA CYS A 110 5.140 5.923 5.572 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.157 6.715 7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.429 5.037 7.939 1.00 0.00 H new ATOM 0 HG CYS A 110 6.981 7.061 8.792 1.00 0.00 H new ATOM 1755 N GLY A 111 7.267 7.191 5.153 1.00 0.00 N ATOM 1756 CA GLY A 111 8.306 8.184 4.954 1.00 0.00 C ATOM 1757 C GLY A 111 8.057 9.450 5.749 1.00 0.00 C ATOM 1758 O GLY A 111 8.987 10.202 6.038 1.00 0.00 O ATOM 0 H GLY A 111 6.877 6.803 4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.268 7.761 5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.370 8.431 3.894 1.00 0.00 H new HETATM 1762 N NH2 A 112 6.801 9.694 6.107 1.00 0.00 N TER 1765 NH2 A 112