USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 979 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 LYS NZ :NH3+ -168:sc= 2.4 (180deg=1.11) USER MOD Set 1.2: A 42 TYR OH : rot 180:sc= 0.146 USER MOD Set 2.1: A 14 MET CE :methyl -157:sc= -1.37 (180deg=-2.16!) USER MOD Set 2.2: A 25 MET CE :methyl 157:sc= -0.0124 (180deg=0) USER MOD Set 2.3: A 83 THR OG1 : rot 132:sc= 1.21 USER MOD Set 2.4: A 84 MET CE :methyl -149:sc= -0.15 (180deg=-1.02) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 37:sc= 0.313 USER MOD Single : A 10 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.53) USER MOD Single : A 17 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.21) USER MOD Single : A 21 THR OG1 : rot -80:sc= 1.17 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.813 USER MOD Single : A 29 MET CE :methyl -177:sc= -0.731 (180deg=-0.74) USER MOD Single : A 35 MET CE :methyl -170:sc= -1.49 (180deg=-1.75!) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 12:sc= -1.28 USER MOD Single : A 62 THR OG1 : rot 38:sc= 0.0336 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= 1.23 (180deg=1.16) USER MOD Single : A 69 SER OG : rot 180:sc=-0.00109 USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.213 K(o=0.21,f=-8!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.177 K(o=-0.18,f=-1) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 170:sc=-0.00392 USER MOD Single : A 91 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.9) USER MOD Single : A 94 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.0033) USER MOD Single : A 101 CYS SG : rot 175:sc= 0.0805 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -156:sc= 0.682 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 132:sc= 0.733 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 8.172 -8.954 5.118 1.00 23.50 N ATOM 54 CA GLY A 5 9.394 -8.232 4.814 1.00 74.02 C ATOM 55 C GLY A 5 9.622 -8.281 3.319 1.00 64.22 C ATOM 56 O GLY A 5 10.475 -9.028 2.843 1.00 30.24 O ATOM 0 HA2 GLY A 5 9.317 -7.198 5.152 1.00 74.02 H new ATOM 0 HA3 GLY A 5 10.238 -8.677 5.341 1.00 74.02 H new ATOM 60 N THR A 6 8.791 -7.512 2.625 1.00 23.11 N ATOM 61 CA THR A 6 8.470 -7.519 1.199 1.00 2.14 C ATOM 62 C THR A 6 8.110 -8.916 0.650 1.00 54.14 C ATOM 63 O THR A 6 8.380 -9.948 1.273 1.00 51.51 O ATOM 64 CB THR A 6 9.600 -6.801 0.448 1.00 11.22 C ATOM 65 OG1 THR A 6 9.902 -5.603 1.137 1.00 52.22 O ATOM 66 CG2 THR A 6 9.358 -6.337 -0.995 1.00 3.45 C ATOM 0 H THR A 6 8.263 -6.782 3.104 1.00 23.11 H new ATOM 0 HA THR A 6 7.546 -6.966 1.032 1.00 2.14 H new ATOM 0 HB THR A 6 10.370 -7.572 0.407 1.00 11.22 H new ATOM 0 HG1 THR A 6 10.624 -5.131 0.672 1.00 52.22 H new ATOM 0 HG21 THR A 6 10.256 -5.850 -1.376 1.00 3.45 H new ATOM 0 HG22 THR A 6 9.120 -7.198 -1.619 1.00 3.45 H new ATOM 0 HG23 THR A 6 8.526 -5.633 -1.016 1.00 3.45 H new ATOM 74 N VAL A 7 7.461 -8.952 -0.517 1.00 31.31 N ATOM 75 CA VAL A 7 7.087 -10.152 -1.257 1.00 31.40 C ATOM 76 C VAL A 7 6.978 -9.842 -2.763 1.00 14.43 C ATOM 77 O VAL A 7 7.136 -8.690 -3.169 1.00 11.43 O ATOM 78 CB VAL A 7 5.750 -10.700 -0.740 1.00 51.45 C ATOM 79 CG1 VAL A 7 5.745 -11.192 0.707 1.00 31.03 C ATOM 80 CG2 VAL A 7 4.593 -9.704 -0.923 1.00 73.24 C ATOM 0 H VAL A 7 7.169 -8.098 -0.993 1.00 31.31 H new ATOM 0 HA VAL A 7 7.861 -10.905 -1.107 1.00 31.40 H new ATOM 0 HB VAL A 7 5.602 -11.577 -1.370 1.00 51.45 H new ATOM 0 HG11 VAL A 7 4.750 -11.556 0.964 1.00 31.03 H new ATOM 0 HG12 VAL A 7 6.468 -12.000 0.819 1.00 31.03 H new ATOM 0 HG13 VAL A 7 6.013 -10.371 1.371 1.00 31.03 H new ATOM 0 HG21 VAL A 7 3.671 -10.143 -0.541 1.00 73.24 H new ATOM 0 HG22 VAL A 7 4.813 -8.787 -0.376 1.00 73.24 H new ATOM 0 HG23 VAL A 7 4.474 -9.475 -1.982 1.00 73.24 H new ATOM 90 N SER A 8 6.652 -10.842 -3.592 1.00 74.31 N ATOM 91 CA SER A 8 6.171 -10.648 -4.955 1.00 53.15 C ATOM 92 C SER A 8 4.775 -11.273 -5.046 1.00 44.35 C ATOM 93 O SER A 8 4.633 -12.486 -5.228 1.00 15.54 O ATOM 94 CB SER A 8 7.177 -11.189 -5.986 1.00 2.41 C ATOM 95 OG SER A 8 7.443 -12.577 -5.851 1.00 74.34 O ATOM 0 H SER A 8 6.718 -11.824 -3.324 1.00 74.31 H new ATOM 0 HA SER A 8 6.085 -9.589 -5.198 1.00 53.15 H new ATOM 0 HB2 SER A 8 6.795 -10.997 -6.989 1.00 2.41 H new ATOM 0 HB3 SER A 8 8.113 -10.638 -5.891 1.00 2.41 H new ATOM 0 HG SER A 8 6.620 -13.045 -5.597 1.00 74.34 H new ATOM 101 N TRP A 9 3.729 -10.482 -4.825 1.00 33.54 N ATOM 102 CA TRP A 9 2.343 -10.928 -4.904 1.00 32.14 C ATOM 103 C TRP A 9 1.650 -10.238 -6.077 1.00 31.22 C ATOM 104 O TRP A 9 2.213 -9.379 -6.762 1.00 43.10 O ATOM 105 CB TRP A 9 1.642 -10.704 -3.549 1.00 62.04 C ATOM 106 CG TRP A 9 1.983 -11.660 -2.436 1.00 51.20 C ATOM 107 CD1 TRP A 9 2.650 -12.837 -2.531 1.00 62.53 C ATOM 108 CD2 TRP A 9 1.690 -11.496 -1.016 1.00 71.04 C ATOM 109 NE1 TRP A 9 2.851 -13.367 -1.268 1.00 4.10 N ATOM 110 CE2 TRP A 9 2.293 -12.567 -0.296 1.00 33.32 C ATOM 111 CE3 TRP A 9 1.045 -10.498 -0.257 1.00 32.44 C ATOM 112 CZ2 TRP A 9 2.281 -12.628 1.105 1.00 20.41 C ATOM 113 CZ3 TRP A 9 1.041 -10.542 1.147 1.00 12.20 C ATOM 114 CH2 TRP A 9 1.661 -11.599 1.831 1.00 43.13 C ATOM 0 H TRP A 9 3.823 -9.496 -4.582 1.00 33.54 H new ATOM 0 HA TRP A 9 2.293 -11.999 -5.100 1.00 32.14 H new ATOM 0 HB2 TRP A 9 1.874 -9.694 -3.211 1.00 62.04 H new ATOM 0 HB3 TRP A 9 0.565 -10.746 -3.714 1.00 62.04 H new ATOM 0 HD1 TRP A 9 2.976 -13.293 -3.454 1.00 62.53 H new ATOM 0 HE1 TRP A 9 3.348 -14.238 -1.081 1.00 4.10 H new ATOM 0 HE3 TRP A 9 0.545 -9.686 -0.764 1.00 32.44 H new ATOM 0 HZ2 TRP A 9 2.744 -13.457 1.620 1.00 20.41 H new ATOM 0 HZ3 TRP A 9 0.556 -9.755 1.705 1.00 12.20 H new ATOM 0 HH2 TRP A 9 1.661 -11.621 2.911 1.00 43.13 H new ATOM 125 N ASN A 10 0.429 -10.681 -6.357 1.00 70.52 N ATOM 126 CA ASN A 10 -0.443 -10.170 -7.402 1.00 54.22 C ATOM 127 C ASN A 10 -1.477 -9.262 -6.734 1.00 61.03 C ATOM 128 O ASN A 10 -1.774 -9.442 -5.551 1.00 14.14 O ATOM 129 CB ASN A 10 -1.080 -11.379 -8.100 1.00 73.11 C ATOM 130 CG ASN A 10 -2.263 -11.004 -8.975 1.00 63.13 C ATOM 131 OD1 ASN A 10 -2.178 -10.117 -9.818 1.00 54.30 O ATOM 132 ND2 ASN A 10 -3.396 -11.639 -8.741 1.00 64.11 N ATOM 0 H ASN A 10 0.002 -11.445 -5.833 1.00 70.52 H new ATOM 0 HA ASN A 10 0.085 -9.584 -8.154 1.00 54.22 H new ATOM 0 HB2 ASN A 10 -0.327 -11.877 -8.711 1.00 73.11 H new ATOM 0 HB3 ASN A 10 -1.405 -12.097 -7.347 1.00 73.11 H new ATOM 0 HD21 ASN A 10 -4.235 -11.397 -9.268 1.00 64.11 H new ATOM 0 HD22 ASN A 10 -3.433 -12.372 -8.033 1.00 64.11 H new ATOM 139 N LEU A 11 -2.059 -8.318 -7.473 1.00 43.50 N ATOM 140 CA LEU A 11 -2.993 -7.336 -6.925 1.00 1.11 C ATOM 141 C LEU A 11 -4.194 -8.009 -6.243 1.00 73.24 C ATOM 142 O LEU A 11 -4.675 -7.514 -5.219 1.00 55.14 O ATOM 143 CB LEU A 11 -3.364 -6.352 -8.055 1.00 31.33 C ATOM 144 CG LEU A 11 -4.179 -5.092 -7.705 1.00 20.12 C ATOM 145 CD1 LEU A 11 -5.690 -5.345 -7.705 1.00 22.21 C ATOM 146 CD2 LEU A 11 -3.687 -4.418 -6.418 1.00 53.44 C ATOM 0 H LEU A 11 -1.895 -8.213 -8.474 1.00 43.50 H new ATOM 0 HA LEU A 11 -2.529 -6.764 -6.122 1.00 1.11 H new ATOM 0 HB2 LEU A 11 -2.437 -6.025 -8.525 1.00 31.33 H new ATOM 0 HB3 LEU A 11 -3.924 -6.909 -8.807 1.00 31.33 H new ATOM 0 HG LEU A 11 -4.000 -4.378 -8.509 1.00 20.12 H new ATOM 0 HD11 LEU A 11 -6.213 -4.423 -7.452 1.00 22.21 H new ATOM 0 HD12 LEU A 11 -6.003 -5.680 -8.694 1.00 22.21 H new ATOM 0 HD13 LEU A 11 -5.930 -6.112 -6.969 1.00 22.21 H new ATOM 0 HD21 LEU A 11 -4.293 -3.535 -6.215 1.00 53.44 H new ATOM 0 HD22 LEU A 11 -3.773 -5.117 -5.586 1.00 53.44 H new ATOM 0 HD23 LEU A 11 -2.645 -4.122 -6.538 1.00 53.44 H new ATOM 158 N ARG A 12 -4.652 -9.163 -6.751 1.00 10.33 N ATOM 159 CA ARG A 12 -5.704 -9.947 -6.099 1.00 40.25 C ATOM 160 C ARG A 12 -5.201 -10.826 -4.964 1.00 13.12 C ATOM 161 O ARG A 12 -5.980 -11.054 -4.042 1.00 31.43 O ATOM 162 CB ARG A 12 -6.461 -10.808 -7.120 1.00 30.55 C ATOM 163 CG ARG A 12 -7.863 -10.233 -7.354 1.00 51.23 C ATOM 164 CD ARG A 12 -8.559 -10.894 -8.547 1.00 62.35 C ATOM 165 NE ARG A 12 -8.860 -12.312 -8.297 1.00 43.04 N ATOM 166 CZ ARG A 12 -9.003 -13.269 -9.220 1.00 71.42 C ATOM 167 NH1 ARG A 12 -8.861 -13.029 -10.520 1.00 31.50 N ATOM 168 NH2 ARG A 12 -9.305 -14.506 -8.855 1.00 62.05 N ATOM 0 H ARG A 12 -4.305 -9.574 -7.618 1.00 10.33 H new ATOM 0 HA ARG A 12 -6.379 -9.214 -5.657 1.00 40.25 H new ATOM 0 HB2 ARG A 12 -5.911 -10.840 -8.060 1.00 30.55 H new ATOM 0 HB3 ARG A 12 -6.535 -11.834 -6.759 1.00 30.55 H new ATOM 0 HG2 ARG A 12 -8.467 -10.373 -6.458 1.00 51.23 H new ATOM 0 HG3 ARG A 12 -7.791 -9.159 -7.525 1.00 51.23 H new ATOM 0 HD2 ARG A 12 -9.484 -10.361 -8.767 1.00 62.35 H new ATOM 0 HD3 ARG A 12 -7.924 -10.809 -9.429 1.00 62.35 H new ATOM 0 HE ARG A 12 -8.971 -12.593 -7.323 1.00 43.04 H new ATOM 0 HH11 ARG A 12 -8.635 -12.088 -10.843 1.00 31.50 H new ATOM 0 HH12 ARG A 12 -8.978 -13.786 -11.194 1.00 31.50 H new ATOM 0 HH21 ARG A 12 -9.429 -14.731 -7.868 1.00 62.05 H new ATOM 0 HH22 ARG A 12 -9.414 -15.234 -9.561 1.00 62.05 H new ATOM 182 N GLU A 13 -3.940 -11.275 -4.979 1.00 4.45 N ATOM 183 CA GLU A 13 -3.387 -11.971 -3.816 1.00 13.22 C ATOM 184 C GLU A 13 -3.513 -11.049 -2.619 1.00 21.41 C ATOM 185 O GLU A 13 -4.033 -11.464 -1.588 1.00 13.24 O ATOM 186 CB GLU A 13 -1.902 -12.388 -3.939 1.00 12.43 C ATOM 187 CG GLU A 13 -1.607 -13.785 -4.484 1.00 55.02 C ATOM 188 CD GLU A 13 -2.560 -14.833 -3.912 1.00 10.40 C ATOM 189 OE1 GLU A 13 -2.383 -15.246 -2.741 1.00 14.03 O ATOM 190 OE2 GLU A 13 -3.550 -15.140 -4.611 1.00 54.31 O ATOM 0 H GLU A 13 -3.298 -11.172 -5.765 1.00 4.45 H new ATOM 0 HA GLU A 13 -3.954 -12.897 -3.720 1.00 13.22 H new ATOM 0 HB2 GLU A 13 -1.401 -11.663 -4.581 1.00 12.43 H new ATOM 0 HB3 GLU A 13 -1.447 -12.308 -2.952 1.00 12.43 H new ATOM 0 HG2 GLU A 13 -1.688 -13.775 -5.571 1.00 55.02 H new ATOM 0 HG3 GLU A 13 -0.580 -14.059 -4.244 1.00 55.02 H new ATOM 197 N MET A 14 -3.037 -9.813 -2.766 1.00 50.20 N ATOM 198 CA MET A 14 -2.992 -8.859 -1.671 1.00 14.45 C ATOM 199 C MET A 14 -4.406 -8.431 -1.265 1.00 32.42 C ATOM 200 O MET A 14 -4.650 -8.135 -0.094 1.00 74.12 O ATOM 201 CB MET A 14 -2.147 -7.643 -2.064 1.00 43.25 C ATOM 202 CG MET A 14 -0.800 -7.994 -2.707 1.00 54.04 C ATOM 203 SD MET A 14 0.614 -7.154 -1.969 1.00 32.12 S ATOM 204 CE MET A 14 0.254 -5.479 -2.521 1.00 32.14 C ATOM 0 H MET A 14 -2.674 -9.450 -3.647 1.00 50.20 H new ATOM 0 HA MET A 14 -2.527 -9.340 -0.810 1.00 14.45 H new ATOM 0 HB2 MET A 14 -2.718 -7.027 -2.758 1.00 43.25 H new ATOM 0 HB3 MET A 14 -1.966 -7.038 -1.175 1.00 43.25 H new ATOM 0 HG2 MET A 14 -0.646 -9.071 -2.636 1.00 54.04 H new ATOM 0 HG3 MET A 14 -0.842 -7.747 -3.768 1.00 54.04 H new ATOM 0 HE1 MET A 14 1.173 -4.894 -2.531 1.00 32.14 H new ATOM 0 HE2 MET A 14 -0.167 -5.510 -3.526 1.00 32.14 H new ATOM 0 HE3 MET A 14 -0.462 -5.018 -1.841 1.00 32.14 H new ATOM 214 N LEU A 15 -5.348 -8.429 -2.217 1.00 43.34 N ATOM 215 CA LEU A 15 -6.752 -8.170 -1.943 1.00 25.54 C ATOM 216 C LEU A 15 -7.313 -9.210 -0.975 1.00 23.44 C ATOM 217 O LEU A 15 -7.797 -8.860 0.103 1.00 72.31 O ATOM 218 CB LEU A 15 -7.575 -8.112 -3.238 1.00 64.33 C ATOM 219 CG LEU A 15 -8.981 -7.578 -2.930 1.00 5.21 C ATOM 220 CD1 LEU A 15 -9.016 -6.063 -2.703 1.00 74.03 C ATOM 221 CD2 LEU A 15 -9.953 -7.883 -4.061 1.00 64.03 C ATOM 0 H LEU A 15 -5.148 -8.609 -3.201 1.00 43.34 H new ATOM 0 HA LEU A 15 -6.827 -7.191 -1.469 1.00 25.54 H new ATOM 0 HB2 LEU A 15 -7.082 -7.468 -3.966 1.00 64.33 H new ATOM 0 HB3 LEU A 15 -7.641 -9.105 -3.684 1.00 64.33 H new ATOM 0 HG LEU A 15 -9.275 -8.086 -2.012 1.00 5.21 H new ATOM 0 HD11 LEU A 15 -10.038 -5.751 -2.490 1.00 74.03 H new ATOM 0 HD12 LEU A 15 -8.375 -5.807 -1.859 1.00 74.03 H new ATOM 0 HD13 LEU A 15 -8.660 -5.553 -3.598 1.00 74.03 H new ATOM 0 HD21 LEU A 15 -10.938 -7.491 -3.810 1.00 64.03 H new ATOM 0 HD22 LEU A 15 -9.600 -7.415 -4.980 1.00 64.03 H new ATOM 0 HD23 LEU A 15 -10.017 -8.962 -4.204 1.00 64.03 H new ATOM 233 N ALA A 16 -7.283 -10.477 -1.385 1.00 4.21 N ATOM 234 CA ALA A 16 -7.869 -11.569 -0.629 1.00 24.11 C ATOM 235 C ALA A 16 -7.128 -11.772 0.695 1.00 55.44 C ATOM 236 O ALA A 16 -7.760 -12.008 1.728 1.00 64.21 O ATOM 237 CB ALA A 16 -7.813 -12.823 -1.497 1.00 62.12 C ATOM 0 H ALA A 16 -6.847 -10.771 -2.259 1.00 4.21 H new ATOM 0 HA ALA A 16 -8.905 -11.343 -0.377 1.00 24.11 H new ATOM 0 HB1 ALA A 16 -8.248 -13.662 -0.953 1.00 62.12 H new ATOM 0 HB2 ALA A 16 -8.376 -12.655 -2.415 1.00 62.12 H new ATOM 0 HB3 ALA A 16 -6.776 -13.049 -1.743 1.00 62.12 H new ATOM 243 N HIS A 17 -5.799 -11.626 0.675 1.00 32.42 N ATOM 244 CA HIS A 17 -4.969 -11.797 1.850 1.00 60.22 C ATOM 245 C HIS A 17 -5.332 -10.754 2.907 1.00 43.01 C ATOM 246 O HIS A 17 -5.387 -11.087 4.091 1.00 51.13 O ATOM 247 CB HIS A 17 -3.488 -11.725 1.448 1.00 24.33 C ATOM 248 CG HIS A 17 -2.558 -12.251 2.498 1.00 55.40 C ATOM 249 ND1 HIS A 17 -2.599 -13.507 3.053 1.00 34.44 N ATOM 250 CD2 HIS A 17 -1.475 -11.602 3.008 1.00 24.41 C ATOM 251 CE1 HIS A 17 -1.584 -13.602 3.922 1.00 24.51 C ATOM 252 NE2 HIS A 17 -0.889 -12.451 3.953 1.00 73.12 N ATOM 0 H HIS A 17 -5.276 -11.384 -0.166 1.00 32.42 H new ATOM 0 HA HIS A 17 -5.147 -12.778 2.291 1.00 60.22 H new ATOM 0 HB2 HIS A 17 -3.342 -12.291 0.528 1.00 24.33 H new ATOM 0 HB3 HIS A 17 -3.229 -10.689 1.230 1.00 24.33 H new ATOM 0 HD2 HIS A 17 -1.132 -10.615 2.734 1.00 24.41 H new ATOM 0 HE1 HIS A 17 -1.356 -14.477 4.513 1.00 24.51 H new ATOM 0 HE2 HIS A 17 -0.090 -12.238 4.550 1.00 73.12 H new ATOM 260 N ALA A 18 -5.612 -9.505 2.512 1.00 61.02 N ATOM 261 CA ALA A 18 -6.026 -8.459 3.439 1.00 25.25 C ATOM 262 C ALA A 18 -7.397 -8.767 4.045 1.00 50.22 C ATOM 263 O ALA A 18 -7.570 -8.529 5.240 1.00 53.25 O ATOM 264 CB ALA A 18 -6.046 -7.102 2.741 1.00 33.15 C ATOM 0 H ALA A 18 -5.556 -9.198 1.541 1.00 61.02 H new ATOM 0 HA ALA A 18 -5.299 -8.424 4.250 1.00 25.25 H new ATOM 0 HB1 ALA A 18 -6.357 -6.333 3.448 1.00 33.15 H new ATOM 0 HB2 ALA A 18 -5.048 -6.870 2.369 1.00 33.15 H new ATOM 0 HB3 ALA A 18 -6.747 -7.132 1.907 1.00 33.15 H new ATOM 270 N GLU A 19 -8.346 -9.304 3.260 1.00 71.01 N ATOM 271 CA GLU A 19 -9.637 -9.750 3.771 1.00 40.15 C ATOM 272 C GLU A 19 -9.456 -10.772 4.899 1.00 75.23 C ATOM 273 O GLU A 19 -10.200 -10.721 5.878 1.00 31.32 O ATOM 274 CB GLU A 19 -10.545 -10.312 2.641 1.00 51.51 C ATOM 275 CG GLU A 19 -11.757 -9.394 2.368 1.00 62.13 C ATOM 276 CD GLU A 19 -13.045 -10.077 1.849 1.00 1.41 C ATOM 277 OE1 GLU A 19 -13.291 -11.278 2.093 1.00 32.02 O ATOM 278 OE2 GLU A 19 -13.890 -9.387 1.219 1.00 42.02 O ATOM 0 H GLU A 19 -8.232 -9.438 2.255 1.00 71.01 H new ATOM 0 HA GLU A 19 -10.144 -8.877 4.183 1.00 40.15 H new ATOM 0 HB2 GLU A 19 -9.961 -10.424 1.728 1.00 51.51 H new ATOM 0 HB3 GLU A 19 -10.897 -11.306 2.918 1.00 51.51 H new ATOM 0 HG2 GLU A 19 -12.000 -8.868 3.291 1.00 62.13 H new ATOM 0 HG3 GLU A 19 -11.455 -8.640 1.641 1.00 62.13 H new ATOM 285 N GLU A 20 -8.470 -11.674 4.797 1.00 34.30 N ATOM 286 CA GLU A 20 -8.218 -12.645 5.857 1.00 54.14 C ATOM 287 C GLU A 20 -7.462 -11.996 7.019 1.00 33.24 C ATOM 288 O GLU A 20 -7.984 -11.888 8.128 1.00 33.43 O ATOM 289 CB GLU A 20 -7.485 -13.884 5.314 1.00 61.15 C ATOM 290 CG GLU A 20 -7.278 -14.976 6.382 1.00 45.13 C ATOM 291 CD GLU A 20 -8.591 -15.651 6.811 1.00 32.32 C ATOM 292 OE1 GLU A 20 -9.510 -14.978 7.329 1.00 62.34 O ATOM 293 OE2 GLU A 20 -8.721 -16.882 6.644 1.00 21.32 O ATOM 0 H GLU A 20 -7.842 -11.747 3.997 1.00 34.30 H new ATOM 0 HA GLU A 20 -9.178 -12.987 6.242 1.00 54.14 H new ATOM 0 HB2 GLU A 20 -8.053 -14.300 4.482 1.00 61.15 H new ATOM 0 HB3 GLU A 20 -6.515 -13.582 4.918 1.00 61.15 H new ATOM 0 HG2 GLU A 20 -6.597 -15.733 5.993 1.00 45.13 H new ATOM 0 HG3 GLU A 20 -6.799 -14.535 7.257 1.00 45.13 H new ATOM 300 N THR A 21 -6.229 -11.558 6.766 1.00 1.32 N ATOM 301 CA THR A 21 -5.261 -11.133 7.781 1.00 12.01 C ATOM 302 C THR A 21 -5.632 -9.817 8.472 1.00 51.15 C ATOM 303 O THR A 21 -4.982 -9.427 9.452 1.00 74.42 O ATOM 304 CB THR A 21 -3.865 -11.042 7.137 1.00 35.24 C ATOM 305 OG1 THR A 21 -3.872 -10.178 6.013 1.00 62.31 O ATOM 306 CG2 THR A 21 -3.395 -12.432 6.688 1.00 51.40 C ATOM 0 H THR A 21 -5.863 -11.486 5.817 1.00 1.32 H new ATOM 0 HA THR A 21 -5.266 -11.885 8.570 1.00 12.01 H new ATOM 0 HB THR A 21 -3.184 -10.642 7.888 1.00 35.24 H new ATOM 0 HG1 THR A 21 -4.227 -10.656 5.235 1.00 62.31 H new ATOM 0 HG21 THR A 21 -2.407 -12.353 6.235 1.00 51.40 H new ATOM 0 HG22 THR A 21 -3.346 -13.096 7.551 1.00 51.40 H new ATOM 0 HG23 THR A 21 -4.098 -12.836 5.959 1.00 51.40 H new ATOM 314 N ARG A 22 -6.656 -9.123 7.963 1.00 45.41 N ATOM 315 CA ARG A 22 -7.121 -7.819 8.416 1.00 35.12 C ATOM 316 C ARG A 22 -6.012 -6.769 8.420 1.00 32.24 C ATOM 317 O ARG A 22 -6.056 -5.812 9.192 1.00 31.21 O ATOM 318 CB ARG A 22 -7.882 -7.961 9.749 1.00 5.43 C ATOM 319 CG ARG A 22 -9.116 -8.867 9.669 1.00 14.51 C ATOM 320 CD ARG A 22 -10.193 -8.344 8.706 1.00 34.34 C ATOM 321 NE ARG A 22 -11.357 -7.797 9.415 1.00 31.50 N ATOM 322 CZ ARG A 22 -12.517 -8.425 9.639 1.00 21.33 C ATOM 323 NH1 ARG A 22 -12.705 -9.693 9.270 1.00 13.10 N ATOM 324 NH2 ARG A 22 -13.494 -7.756 10.229 1.00 42.35 N ATOM 0 H ARG A 22 -7.208 -9.480 7.183 1.00 45.41 H new ATOM 0 HA ARG A 22 -7.838 -7.429 7.693 1.00 35.12 H new ATOM 0 HB2 ARG A 22 -7.202 -8.356 10.503 1.00 5.43 H new ATOM 0 HB3 ARG A 22 -8.192 -6.972 10.086 1.00 5.43 H new ATOM 0 HG2 ARG A 22 -8.807 -9.863 9.351 1.00 14.51 H new ATOM 0 HG3 ARG A 22 -9.548 -8.970 10.665 1.00 14.51 H new ATOM 0 HD2 ARG A 22 -9.763 -7.572 8.068 1.00 34.34 H new ATOM 0 HD3 ARG A 22 -10.516 -9.154 8.052 1.00 34.34 H new ATOM 0 HE ARG A 22 -11.273 -6.845 9.772 1.00 31.50 H new ATOM 0 HH11 ARG A 22 -11.955 -10.206 8.806 1.00 13.10 H new ATOM 0 HH12 ARG A 22 -13.599 -10.150 9.452 1.00 13.10 H new ATOM 0 HH21 ARG A 22 -13.354 -6.783 10.502 1.00 42.35 H new ATOM 0 HH22 ARG A 22 -14.388 -8.213 10.411 1.00 42.35 H new ATOM 338 N LYS A 23 -4.990 -6.933 7.580 1.00 62.24 N ATOM 339 CA LYS A 23 -3.976 -5.905 7.394 1.00 1.53 C ATOM 340 C LYS A 23 -4.586 -4.762 6.572 1.00 71.12 C ATOM 341 O LYS A 23 -5.462 -5.013 5.740 1.00 71.21 O ATOM 342 CB LYS A 23 -2.705 -6.520 6.783 1.00 74.51 C ATOM 343 CG LYS A 23 -2.088 -7.544 7.758 1.00 32.44 C ATOM 344 CD LYS A 23 -0.620 -7.880 7.465 1.00 2.50 C ATOM 345 CE LYS A 23 -0.116 -9.009 8.386 1.00 1.32 C ATOM 346 NZ LYS A 23 0.420 -10.190 7.671 1.00 75.43 N ATOM 0 H LYS A 23 -4.846 -7.772 7.018 1.00 62.24 H new ATOM 0 HA LYS A 23 -3.659 -5.478 8.346 1.00 1.53 H new ATOM 0 HB2 LYS A 23 -2.946 -7.006 5.838 1.00 74.51 H new ATOM 0 HB3 LYS A 23 -1.982 -5.735 6.563 1.00 74.51 H new ATOM 0 HG2 LYS A 23 -2.165 -7.155 8.773 1.00 32.44 H new ATOM 0 HG3 LYS A 23 -2.674 -8.462 7.723 1.00 32.44 H new ATOM 0 HD2 LYS A 23 -0.513 -8.181 6.423 1.00 2.50 H new ATOM 0 HD3 LYS A 23 -0.005 -6.991 7.604 1.00 2.50 H new ATOM 0 HE2 LYS A 23 0.662 -8.610 9.037 1.00 1.32 H new ATOM 0 HE3 LYS A 23 -0.936 -9.330 9.029 1.00 1.32 H new ATOM 0 HZ1 LYS A 23 0.736 -10.900 8.362 1.00 75.43 H new ATOM 0 HZ2 LYS A 23 -0.324 -10.599 7.070 1.00 75.43 H new ATOM 0 HZ3 LYS A 23 1.224 -9.901 7.078 1.00 75.43 H new ATOM 360 N LEU A 24 -4.145 -3.526 6.823 1.00 14.42 N ATOM 361 CA LEU A 24 -4.542 -2.341 6.053 1.00 13.22 C ATOM 362 C LEU A 24 -4.055 -2.526 4.612 1.00 72.25 C ATOM 363 O LEU A 24 -3.000 -3.147 4.439 1.00 3.53 O ATOM 364 CB LEU A 24 -3.863 -1.090 6.652 1.00 1.34 C ATOM 365 CG LEU A 24 -4.575 0.233 6.309 1.00 74.53 C ATOM 366 CD1 LEU A 24 -5.595 0.632 7.374 1.00 4.55 C ATOM 367 CD2 LEU A 24 -3.629 1.430 6.185 1.00 32.02 C ATOM 0 H LEU A 24 -3.492 -3.316 7.578 1.00 14.42 H new ATOM 0 HA LEU A 24 -5.625 -2.217 6.082 1.00 13.22 H new ATOM 0 HB2 LEU A 24 -3.819 -1.197 7.736 1.00 1.34 H new ATOM 0 HB3 LEU A 24 -2.835 -1.041 6.294 1.00 1.34 H new ATOM 0 HG LEU A 24 -5.047 0.022 5.349 1.00 74.53 H new ATOM 0 HD11 LEU A 24 -6.071 1.570 7.089 1.00 4.55 H new ATOM 0 HD12 LEU A 24 -6.352 -0.147 7.462 1.00 4.55 H new ATOM 0 HD13 LEU A 24 -5.090 0.758 8.332 1.00 4.55 H new ATOM 0 HD21 LEU A 24 -4.203 2.324 5.942 1.00 32.02 H new ATOM 0 HD22 LEU A 24 -3.106 1.580 7.130 1.00 32.02 H new ATOM 0 HD23 LEU A 24 -2.903 1.240 5.395 1.00 32.02 H new ATOM 379 N MET A 25 -4.699 -1.934 3.594 1.00 22.02 N ATOM 380 CA MET A 25 -4.102 -1.916 2.254 1.00 31.32 C ATOM 381 C MET A 25 -4.311 -0.560 1.589 1.00 72.54 C ATOM 382 O MET A 25 -5.274 -0.389 0.838 1.00 25.24 O ATOM 383 CB MET A 25 -4.514 -3.112 1.382 1.00 51.44 C ATOM 384 CG MET A 25 -3.889 -2.975 -0.023 1.00 42.31 C ATOM 385 SD MET A 25 -3.402 -4.509 -0.861 1.00 44.54 S ATOM 386 CE MET A 25 -4.187 -4.224 -2.466 1.00 62.33 C ATOM 0 H MET A 25 -5.607 -1.475 3.670 1.00 22.02 H new ATOM 0 HA MET A 25 -3.026 -2.047 2.374 1.00 31.32 H new ATOM 0 HB2 MET A 25 -4.187 -4.042 1.846 1.00 51.44 H new ATOM 0 HB3 MET A 25 -5.600 -3.160 1.304 1.00 51.44 H new ATOM 0 HG2 MET A 25 -4.601 -2.452 -0.661 1.00 42.31 H new ATOM 0 HG3 MET A 25 -3.007 -2.339 0.059 1.00 42.31 H new ATOM 0 HE1 MET A 25 -3.687 -4.823 -3.227 1.00 62.33 H new ATOM 0 HE2 MET A 25 -5.238 -4.509 -2.413 1.00 62.33 H new ATOM 0 HE3 MET A 25 -4.110 -3.168 -2.726 1.00 62.33 H new ATOM 396 N PRO A 26 -3.424 0.408 1.854 1.00 72.20 N ATOM 397 CA PRO A 26 -3.596 1.755 1.351 1.00 1.15 C ATOM 398 C PRO A 26 -3.352 1.822 -0.149 1.00 4.12 C ATOM 399 O PRO A 26 -2.453 1.138 -0.658 1.00 22.52 O ATOM 400 CB PRO A 26 -2.602 2.596 2.133 1.00 30.11 C ATOM 401 CG PRO A 26 -1.508 1.623 2.551 1.00 2.23 C ATOM 402 CD PRO A 26 -2.289 0.333 2.759 1.00 75.13 C ATOM 0 HA PRO A 26 -4.615 2.118 1.486 1.00 1.15 H new ATOM 0 HB2 PRO A 26 -2.200 3.403 1.521 1.00 30.11 H new ATOM 0 HB3 PRO A 26 -3.072 3.058 3.001 1.00 30.11 H new ATOM 0 HG2 PRO A 26 -0.742 1.516 1.783 1.00 2.23 H new ATOM 0 HG3 PRO A 26 -1.003 1.945 3.462 1.00 2.23 H new ATOM 0 HD2 PRO A 26 -1.671 -0.538 2.540 1.00 75.13 H new ATOM 0 HD3 PRO A 26 -2.619 0.238 3.793 1.00 75.13 H new ATOM 410 N ILE A 27 -4.115 2.666 -0.846 1.00 63.14 N ATOM 411 CA ILE A 27 -4.113 2.763 -2.308 1.00 23.24 C ATOM 412 C ILE A 27 -3.974 4.235 -2.716 1.00 13.22 C ATOM 413 O ILE A 27 -4.764 5.088 -2.306 1.00 53.11 O ATOM 414 CB ILE A 27 -5.386 2.097 -2.881 1.00 0.23 C ATOM 415 CG1 ILE A 27 -5.431 0.584 -2.547 1.00 55.22 C ATOM 416 CG2 ILE A 27 -5.522 2.339 -4.395 1.00 53.23 C ATOM 417 CD1 ILE A 27 -6.837 -0.022 -2.639 1.00 72.41 C ATOM 0 H ILE A 27 -4.765 3.315 -0.402 1.00 63.14 H new ATOM 0 HA ILE A 27 -3.262 2.226 -2.727 1.00 23.24 H new ATOM 0 HB ILE A 27 -6.242 2.568 -2.398 1.00 0.23 H new ATOM 0 HG12 ILE A 27 -4.769 0.050 -3.228 1.00 55.22 H new ATOM 0 HG13 ILE A 27 -5.043 0.431 -1.540 1.00 55.22 H new ATOM 0 HG21 ILE A 27 -6.428 1.856 -4.761 1.00 53.23 H new ATOM 0 HG22 ILE A 27 -5.578 3.410 -4.589 1.00 53.23 H new ATOM 0 HG23 ILE A 27 -4.656 1.923 -4.909 1.00 53.23 H new ATOM 0 HD11 ILE A 27 -6.793 -1.083 -2.393 1.00 72.41 H new ATOM 0 HD12 ILE A 27 -7.499 0.486 -1.938 1.00 72.41 H new ATOM 0 HD13 ILE A 27 -7.220 0.099 -3.652 1.00 72.41 H new ATOM 429 N CYS A 28 -3.010 4.533 -3.584 1.00 14.32 N ATOM 430 CA CYS A 28 -2.880 5.831 -4.218 1.00 4.15 C ATOM 431 C CYS A 28 -4.097 6.037 -5.124 1.00 54.02 C ATOM 432 O CYS A 28 -4.320 5.269 -6.058 1.00 34.15 O ATOM 433 CB CYS A 28 -1.568 5.864 -5.008 1.00 2.31 C ATOM 434 SG CYS A 28 -0.155 5.865 -3.875 1.00 74.21 S ATOM 0 H CYS A 28 -2.291 3.867 -3.867 1.00 14.32 H new ATOM 0 HA CYS A 28 -2.849 6.638 -3.486 1.00 4.15 H new ATOM 0 HB2 CYS A 28 -1.512 5.000 -5.670 1.00 2.31 H new ATOM 0 HB3 CYS A 28 -1.538 6.752 -5.640 1.00 2.31 H new ATOM 0 HG CYS A 28 0.950 5.891 -4.559 1.00 74.21 H new ATOM 440 N MET A 29 -4.873 7.088 -4.866 1.00 1.43 N ATOM 441 CA MET A 29 -6.111 7.469 -5.543 1.00 41.20 C ATOM 442 C MET A 29 -5.922 7.749 -7.041 1.00 71.51 C ATOM 443 O MET A 29 -6.907 7.926 -7.758 1.00 42.22 O ATOM 444 CB MET A 29 -6.675 8.704 -4.817 1.00 53.34 C ATOM 445 CG MET A 29 -8.150 8.993 -5.117 1.00 4.04 C ATOM 446 SD MET A 29 -8.864 10.345 -4.137 1.00 43.52 S ATOM 447 CE MET A 29 -8.868 9.601 -2.487 1.00 15.30 C ATOM 0 H MET A 29 -4.635 7.745 -4.123 1.00 1.43 H new ATOM 0 HA MET A 29 -6.809 6.633 -5.496 1.00 41.20 H new ATOM 0 HB2 MET A 29 -6.555 8.565 -3.742 1.00 53.34 H new ATOM 0 HB3 MET A 29 -6.082 9.576 -5.094 1.00 53.34 H new ATOM 0 HG2 MET A 29 -8.252 9.234 -6.175 1.00 4.04 H new ATOM 0 HG3 MET A 29 -8.729 8.087 -4.939 1.00 4.04 H new ATOM 0 HE1 MET A 29 -9.328 10.290 -1.778 1.00 15.30 H new ATOM 0 HE2 MET A 29 -9.435 8.670 -2.509 1.00 15.30 H new ATOM 0 HE3 MET A 29 -7.843 9.395 -2.179 1.00 15.30 H new ATOM 457 N ASP A 30 -4.679 7.811 -7.520 1.00 74.22 N ATOM 458 CA ASP A 30 -4.369 7.999 -8.934 1.00 31.34 C ATOM 459 C ASP A 30 -4.319 6.679 -9.697 1.00 54.34 C ATOM 460 O ASP A 30 -4.392 6.693 -10.924 1.00 63.15 O ATOM 461 CB ASP A 30 -3.060 8.780 -9.076 1.00 51.35 C ATOM 462 CG ASP A 30 -2.844 9.255 -10.516 1.00 3.44 C ATOM 463 OD1 ASP A 30 -3.545 10.216 -10.926 1.00 62.31 O ATOM 464 OD2 ASP A 30 -1.929 8.746 -11.192 1.00 1.55 O ATOM 0 H ASP A 30 -3.852 7.731 -6.929 1.00 74.22 H new ATOM 0 HA ASP A 30 -5.176 8.577 -9.383 1.00 31.34 H new ATOM 0 HB2 ASP A 30 -3.073 9.640 -8.406 1.00 51.35 H new ATOM 0 HB3 ASP A 30 -2.224 8.151 -8.770 1.00 51.35 H new ATOM 469 N VAL A 31 -4.269 5.536 -9.013 1.00 5.14 N ATOM 470 CA VAL A 31 -3.928 4.285 -9.666 1.00 63.01 C ATOM 471 C VAL A 31 -5.201 3.610 -10.158 1.00 34.53 C ATOM 472 O VAL A 31 -5.714 2.687 -9.517 1.00 3.25 O ATOM 473 CB VAL A 31 -3.056 3.406 -8.739 1.00 21.22 C ATOM 474 CG1 VAL A 31 -2.445 2.209 -9.473 1.00 70.13 C ATOM 475 CG2 VAL A 31 -1.876 4.182 -8.146 1.00 45.54 C ATOM 0 H VAL A 31 -4.460 5.456 -8.014 1.00 5.14 H new ATOM 0 HA VAL A 31 -3.313 4.467 -10.547 1.00 63.01 H new ATOM 0 HB VAL A 31 -3.740 3.075 -7.958 1.00 21.22 H new ATOM 0 HG11 VAL A 31 -1.842 1.625 -8.778 1.00 70.13 H new ATOM 0 HG12 VAL A 31 -3.242 1.584 -9.876 1.00 70.13 H new ATOM 0 HG13 VAL A 31 -1.815 2.565 -10.288 1.00 70.13 H new ATOM 0 HG21 VAL A 31 -1.294 3.523 -7.502 1.00 45.54 H new ATOM 0 HG22 VAL A 31 -1.243 4.554 -8.952 1.00 45.54 H new ATOM 0 HG23 VAL A 31 -2.250 5.022 -7.561 1.00 45.54 H new ATOM 485 N ARG A 32 -5.727 4.064 -11.303 1.00 61.22 N ATOM 486 CA ARG A 32 -6.950 3.516 -11.894 1.00 32.01 C ATOM 487 C ARG A 32 -6.867 1.999 -12.098 1.00 55.33 C ATOM 488 O ARG A 32 -7.922 1.371 -12.136 1.00 60.44 O ATOM 489 CB ARG A 32 -7.336 4.264 -13.190 1.00 25.22 C ATOM 490 CG ARG A 32 -8.702 4.968 -13.079 1.00 73.10 C ATOM 491 CD ARG A 32 -8.590 6.266 -12.271 1.00 31.32 C ATOM 492 NE ARG A 32 -9.888 6.902 -11.979 1.00 53.22 N ATOM 493 CZ ARG A 32 -10.052 8.140 -11.485 1.00 3.32 C ATOM 494 NH1 ARG A 32 -9.009 8.903 -11.188 1.00 71.33 N ATOM 495 NH2 ARG A 32 -11.275 8.599 -11.265 1.00 32.44 N ATOM 0 H ARG A 32 -5.314 4.823 -11.845 1.00 61.22 H new ATOM 0 HA ARG A 32 -7.755 3.682 -11.178 1.00 32.01 H new ATOM 0 HB2 ARG A 32 -6.568 5.002 -13.422 1.00 25.22 H new ATOM 0 HB3 ARG A 32 -7.361 3.558 -14.020 1.00 25.22 H new ATOM 0 HG2 ARG A 32 -9.083 5.188 -14.076 1.00 73.10 H new ATOM 0 HG3 ARG A 32 -9.421 4.301 -12.603 1.00 73.10 H new ATOM 0 HD2 ARG A 32 -8.081 6.054 -11.331 1.00 31.32 H new ATOM 0 HD3 ARG A 32 -7.966 6.971 -12.820 1.00 31.32 H new ATOM 0 HE ARG A 32 -10.730 6.357 -12.168 1.00 53.22 H new ATOM 0 HH11 ARG A 32 -8.062 8.552 -11.334 1.00 71.33 H new ATOM 0 HH12 ARG A 32 -9.153 9.841 -10.814 1.00 71.33 H new ATOM 0 HH21 ARG A 32 -12.084 8.013 -11.471 1.00 32.44 H new ATOM 0 HH22 ARG A 32 -11.407 9.538 -10.890 1.00 32.44 H new ATOM 509 N ALA A 33 -5.676 1.394 -12.169 1.00 74.31 N ATOM 510 CA ALA A 33 -5.509 -0.058 -12.189 1.00 13.20 C ATOM 511 C ALA A 33 -5.988 -0.734 -10.902 1.00 12.10 C ATOM 512 O ALA A 33 -6.581 -1.813 -10.950 1.00 33.15 O ATOM 513 CB ALA A 33 -4.033 -0.401 -12.395 1.00 20.13 C ATOM 0 H ALA A 33 -4.795 1.906 -12.214 1.00 74.31 H new ATOM 0 HA ALA A 33 -6.122 -0.431 -13.009 1.00 13.20 H new ATOM 0 HB1 ALA A 33 -3.910 -1.484 -12.410 1.00 20.13 H new ATOM 0 HB2 ALA A 33 -3.691 0.016 -13.342 1.00 20.13 H new ATOM 0 HB3 ALA A 33 -3.444 0.020 -11.580 1.00 20.13 H new ATOM 519 N ILE A 34 -5.675 -0.148 -9.746 1.00 34.54 N ATOM 520 CA ILE A 34 -5.986 -0.720 -8.442 1.00 50.11 C ATOM 521 C ILE A 34 -7.474 -0.511 -8.184 1.00 72.12 C ATOM 522 O ILE A 34 -8.222 -1.474 -7.990 1.00 23.41 O ATOM 523 CB ILE A 34 -5.100 -0.137 -7.351 1.00 12.10 C ATOM 524 CG1 ILE A 34 -3.667 -0.615 -7.653 1.00 23.43 C ATOM 525 CG2 ILE A 34 -5.595 -0.661 -5.992 1.00 71.32 C ATOM 526 CD1 ILE A 34 -2.720 -0.149 -6.572 1.00 2.42 C ATOM 0 H ILE A 34 -5.192 0.749 -9.692 1.00 34.54 H new ATOM 0 HA ILE A 34 -5.775 -1.789 -8.432 1.00 50.11 H new ATOM 0 HB ILE A 34 -5.128 0.952 -7.320 1.00 12.10 H new ATOM 0 HG12 ILE A 34 -3.646 -1.703 -7.720 1.00 23.43 H new ATOM 0 HG13 ILE A 34 -3.344 -0.229 -8.620 1.00 23.43 H new ATOM 0 HG21 ILE A 34 -4.972 -0.254 -5.196 1.00 71.32 H new ATOM 0 HG22 ILE A 34 -6.629 -0.352 -5.837 1.00 71.32 H new ATOM 0 HG23 ILE A 34 -5.536 -1.749 -5.978 1.00 71.32 H new ATOM 0 HD11 ILE A 34 -1.711 -0.494 -6.799 1.00 2.42 H new ATOM 0 HD12 ILE A 34 -2.729 0.940 -6.525 1.00 2.42 H new ATOM 0 HD13 ILE A 34 -3.036 -0.556 -5.611 1.00 2.42 H new ATOM 538 N MET A 35 -7.914 0.753 -8.196 1.00 50.32 N ATOM 539 CA MET A 35 -9.341 1.063 -8.150 1.00 22.41 C ATOM 540 C MET A 35 -10.222 0.298 -9.125 1.00 51.24 C ATOM 541 O MET A 35 -11.339 -0.057 -8.748 1.00 71.53 O ATOM 542 CB MET A 35 -9.666 2.555 -8.104 1.00 51.22 C ATOM 543 CG MET A 35 -8.640 3.562 -8.583 1.00 61.00 C ATOM 544 SD MET A 35 -7.437 4.105 -7.331 1.00 55.25 S ATOM 545 CE MET A 35 -8.475 4.425 -5.881 1.00 54.54 C ATOM 0 H MET A 35 -7.304 1.570 -8.237 1.00 50.32 H new ATOM 0 HA MET A 35 -9.621 0.666 -7.174 1.00 22.41 H new ATOM 0 HB2 MET A 35 -10.572 2.709 -8.690 1.00 51.22 H new ATOM 0 HB3 MET A 35 -9.909 2.804 -7.071 1.00 51.22 H new ATOM 0 HG2 MET A 35 -8.095 3.129 -9.422 1.00 61.00 H new ATOM 0 HG3 MET A 35 -9.165 4.439 -8.962 1.00 61.00 H new ATOM 0 HE1 MET A 35 -7.885 4.927 -5.115 1.00 54.54 H new ATOM 0 HE2 MET A 35 -9.314 5.060 -6.167 1.00 54.54 H new ATOM 0 HE3 MET A 35 -8.852 3.481 -5.488 1.00 54.54 H new ATOM 555 N ALA A 36 -9.728 -0.040 -10.312 1.00 0.43 N ATOM 556 CA ALA A 36 -10.494 -0.863 -11.239 1.00 22.40 C ATOM 557 C ALA A 36 -10.835 -2.250 -10.695 1.00 30.54 C ATOM 558 O ALA A 36 -11.724 -2.906 -11.234 1.00 12.12 O ATOM 559 CB ALA A 36 -9.753 -1.084 -12.554 1.00 41.22 C ATOM 0 H ALA A 36 -8.808 0.241 -10.652 1.00 0.43 H new ATOM 0 HA ALA A 36 -11.412 -0.295 -11.390 1.00 22.40 H new ATOM 0 HB1 ALA A 36 -10.361 -1.702 -13.215 1.00 41.22 H new ATOM 0 HB2 ALA A 36 -9.563 -0.122 -13.031 1.00 41.22 H new ATOM 0 HB3 ALA A 36 -8.805 -1.585 -12.358 1.00 41.22 H new ATOM 565 N THR A 37 -10.133 -2.753 -9.683 1.00 40.25 N ATOM 566 CA THR A 37 -10.553 -3.945 -8.971 1.00 11.25 C ATOM 567 C THR A 37 -11.491 -3.545 -7.841 1.00 63.14 C ATOM 568 O THR A 37 -12.602 -4.071 -7.790 1.00 11.54 O ATOM 569 CB THR A 37 -9.331 -4.777 -8.555 1.00 50.42 C ATOM 570 OG1 THR A 37 -8.739 -5.241 -9.755 1.00 61.44 O ATOM 571 CG2 THR A 37 -9.740 -5.978 -7.704 1.00 24.44 C ATOM 0 H THR A 37 -9.264 -2.345 -9.339 1.00 40.25 H new ATOM 0 HA THR A 37 -11.129 -4.612 -9.613 1.00 11.25 H new ATOM 0 HB THR A 37 -8.647 -4.171 -7.961 1.00 50.42 H new ATOM 0 HG1 THR A 37 -8.050 -5.905 -9.544 1.00 61.44 H new ATOM 0 HG21 THR A 37 -8.852 -6.546 -7.426 1.00 24.44 H new ATOM 0 HG22 THR A 37 -10.245 -5.630 -6.803 1.00 24.44 H new ATOM 0 HG23 THR A 37 -10.415 -6.616 -8.275 1.00 24.44 H new ATOM 579 N ILE A 38 -11.111 -2.597 -6.981 1.00 2.01 N ATOM 580 CA ILE A 38 -11.906 -2.287 -5.800 1.00 1.41 C ATOM 581 C ILE A 38 -13.311 -1.834 -6.192 1.00 25.24 C ATOM 582 O ILE A 38 -14.275 -2.390 -5.684 1.00 52.54 O ATOM 583 CB ILE A 38 -11.137 -1.350 -4.842 1.00 75.51 C ATOM 584 CG1 ILE A 38 -10.043 -2.147 -4.088 1.00 54.13 C ATOM 585 CG2 ILE A 38 -12.070 -0.704 -3.800 1.00 0.14 C ATOM 586 CD1 ILE A 38 -8.806 -2.555 -4.892 1.00 51.10 C ATOM 0 H ILE A 38 -10.264 -2.037 -7.082 1.00 2.01 H new ATOM 0 HA ILE A 38 -12.068 -3.192 -5.214 1.00 1.41 H new ATOM 0 HB ILE A 38 -10.692 -0.563 -5.451 1.00 75.51 H new ATOM 0 HG12 ILE A 38 -9.713 -1.550 -3.238 1.00 54.13 H new ATOM 0 HG13 ILE A 38 -10.499 -3.051 -3.685 1.00 54.13 H new ATOM 0 HG21 ILE A 38 -11.490 -0.053 -3.146 1.00 0.14 H new ATOM 0 HG22 ILE A 38 -12.835 -0.118 -4.310 1.00 0.14 H new ATOM 0 HG23 ILE A 38 -12.547 -1.483 -3.206 1.00 0.14 H new ATOM 0 HD11 ILE A 38 -8.119 -3.106 -4.249 1.00 51.10 H new ATOM 0 HD12 ILE A 38 -9.107 -3.187 -5.727 1.00 51.10 H new ATOM 0 HD13 ILE A 38 -8.309 -1.663 -5.273 1.00 51.10 H new ATOM 598 N GLN A 39 -13.451 -0.894 -7.120 1.00 3.22 N ATOM 599 CA GLN A 39 -14.755 -0.385 -7.545 1.00 34.11 C ATOM 600 C GLN A 39 -15.543 -1.405 -8.382 1.00 24.54 C ATOM 601 O GLN A 39 -16.756 -1.253 -8.551 1.00 64.24 O ATOM 602 CB GLN A 39 -14.581 0.932 -8.316 1.00 74.31 C ATOM 603 CG GLN A 39 -13.926 2.007 -7.443 1.00 4.12 C ATOM 604 CD GLN A 39 -13.895 3.367 -8.131 1.00 1.31 C ATOM 605 OE1 GLN A 39 -14.912 3.921 -8.542 1.00 24.31 O ATOM 606 NE2 GLN A 39 -12.718 3.931 -8.304 1.00 62.13 N ATOM 0 H GLN A 39 -12.663 -0.461 -7.601 1.00 3.22 H new ATOM 0 HA GLN A 39 -15.341 -0.201 -6.644 1.00 34.11 H new ATOM 0 HB2 GLN A 39 -13.971 0.759 -9.202 1.00 74.31 H new ATOM 0 HB3 GLN A 39 -15.553 1.284 -8.662 1.00 74.31 H new ATOM 0 HG2 GLN A 39 -14.470 2.090 -6.502 1.00 4.12 H new ATOM 0 HG3 GLN A 39 -12.909 1.703 -7.197 1.00 4.12 H new ATOM 0 HE21 GLN A 39 -11.876 3.469 -7.962 1.00 62.13 H new ATOM 0 HE22 GLN A 39 -12.648 4.830 -8.780 1.00 62.13 H new ATOM 615 N ARG A 40 -14.892 -2.449 -8.916 1.00 30.33 N ATOM 616 CA ARG A 40 -15.573 -3.585 -9.536 1.00 24.02 C ATOM 617 C ARG A 40 -16.071 -4.563 -8.470 1.00 24.10 C ATOM 618 O ARG A 40 -17.204 -5.031 -8.588 1.00 74.30 O ATOM 619 CB ARG A 40 -14.664 -4.251 -10.596 1.00 42.42 C ATOM 620 CG ARG A 40 -14.732 -3.446 -11.908 1.00 63.34 C ATOM 621 CD ARG A 40 -14.074 -4.156 -13.103 1.00 40.21 C ATOM 622 NE ARG A 40 -14.316 -3.437 -14.369 1.00 73.02 N ATOM 623 CZ ARG A 40 -13.980 -3.850 -15.601 1.00 60.40 C ATOM 624 NH1 ARG A 40 -13.477 -5.063 -15.815 1.00 2.54 N ATOM 625 NH2 ARG A 40 -14.136 -3.039 -16.640 1.00 52.11 N ATOM 0 H ARG A 40 -13.875 -2.525 -8.928 1.00 30.33 H new ATOM 0 HA ARG A 40 -16.457 -3.229 -10.065 1.00 24.02 H new ATOM 0 HB2 ARG A 40 -13.636 -4.293 -10.235 1.00 42.42 H new ATOM 0 HB3 ARG A 40 -14.983 -5.279 -10.770 1.00 42.42 H new ATOM 0 HG2 ARG A 40 -15.776 -3.244 -12.147 1.00 63.34 H new ATOM 0 HG3 ARG A 40 -14.247 -2.481 -11.758 1.00 63.34 H new ATOM 0 HD2 ARG A 40 -13.001 -4.238 -12.931 1.00 40.21 H new ATOM 0 HD3 ARG A 40 -14.463 -5.171 -13.182 1.00 40.21 H new ATOM 0 HE ARG A 40 -14.786 -2.535 -14.301 1.00 73.02 H new ATOM 0 HH11 ARG A 40 -13.339 -5.703 -15.033 1.00 2.54 H new ATOM 0 HH12 ARG A 40 -13.230 -5.353 -16.761 1.00 2.54 H new ATOM 0 HH21 ARG A 40 -14.512 -2.101 -16.503 1.00 52.11 H new ATOM 0 HH22 ARG A 40 -13.880 -3.354 -17.576 1.00 52.11 H new ATOM 639 N LYS A 41 -15.301 -4.848 -7.416 1.00 60.22 N ATOM 640 CA LYS A 41 -15.713 -5.750 -6.337 1.00 11.40 C ATOM 641 C LYS A 41 -16.722 -5.049 -5.427 1.00 41.55 C ATOM 642 O LYS A 41 -17.875 -5.466 -5.337 1.00 3.54 O ATOM 643 CB LYS A 41 -14.459 -6.244 -5.584 1.00 30.33 C ATOM 644 CG LYS A 41 -14.627 -7.562 -4.806 1.00 21.53 C ATOM 645 CD LYS A 41 -15.199 -7.439 -3.384 1.00 60.41 C ATOM 646 CE LYS A 41 -14.657 -8.592 -2.516 1.00 74.11 C ATOM 647 NZ LYS A 41 -15.040 -8.511 -1.087 1.00 50.24 N ATOM 0 H LYS A 41 -14.368 -4.457 -7.287 1.00 60.22 H new ATOM 0 HA LYS A 41 -16.218 -6.628 -6.741 1.00 11.40 H new ATOM 0 HB2 LYS A 41 -13.650 -6.368 -6.304 1.00 30.33 H new ATOM 0 HB3 LYS A 41 -14.147 -5.468 -4.885 1.00 30.33 H new ATOM 0 HG2 LYS A 41 -15.278 -8.220 -5.382 1.00 21.53 H new ATOM 0 HG3 LYS A 41 -13.654 -8.050 -4.744 1.00 21.53 H new ATOM 0 HD2 LYS A 41 -14.920 -6.479 -2.949 1.00 60.41 H new ATOM 0 HD3 LYS A 41 -16.288 -7.471 -3.414 1.00 60.41 H new ATOM 0 HE2 LYS A 41 -15.016 -9.537 -2.923 1.00 74.11 H new ATOM 0 HE3 LYS A 41 -13.569 -8.606 -2.588 1.00 74.11 H new ATOM 0 HZ1 LYS A 41 -14.480 -9.194 -0.538 1.00 50.24 H new ATOM 0 HZ2 LYS A 41 -14.858 -7.550 -0.733 1.00 50.24 H new ATOM 0 HZ3 LYS A 41 -16.051 -8.732 -0.986 1.00 50.24 H new ATOM 661 N TYR A 42 -16.286 -4.014 -4.721 1.00 33.33 N ATOM 662 CA TYR A 42 -17.038 -3.292 -3.719 1.00 22.30 C ATOM 663 C TYR A 42 -17.878 -2.220 -4.390 1.00 1.11 C ATOM 664 O TYR A 42 -17.364 -1.369 -5.113 1.00 73.13 O ATOM 665 CB TYR A 42 -16.073 -2.654 -2.720 1.00 10.41 C ATOM 666 CG TYR A 42 -15.335 -3.671 -1.889 1.00 35.54 C ATOM 667 CD1 TYR A 42 -15.993 -4.282 -0.808 1.00 4.43 C ATOM 668 CD2 TYR A 42 -14.020 -4.050 -2.222 1.00 14.04 C ATOM 669 CE1 TYR A 42 -15.335 -5.257 -0.059 1.00 63.23 C ATOM 670 CE2 TYR A 42 -13.348 -5.021 -1.461 1.00 10.33 C ATOM 671 CZ TYR A 42 -14.003 -5.598 -0.352 1.00 5.11 C ATOM 672 OH TYR A 42 -13.431 -6.571 0.391 1.00 24.41 O ATOM 0 H TYR A 42 -15.345 -3.640 -4.844 1.00 33.33 H new ATOM 0 HA TYR A 42 -17.697 -3.980 -3.189 1.00 22.30 H new ATOM 0 HB2 TYR A 42 -15.352 -2.040 -3.260 1.00 10.41 H new ATOM 0 HB3 TYR A 42 -16.628 -1.987 -2.061 1.00 10.41 H new ATOM 0 HD1 TYR A 42 -17.004 -3.998 -0.558 1.00 4.43 H new ATOM 0 HD2 TYR A 42 -13.526 -3.592 -3.066 1.00 14.04 H new ATOM 0 HE1 TYR A 42 -15.851 -5.752 0.750 1.00 63.23 H new ATOM 0 HE2 TYR A 42 -12.344 -5.322 -1.721 1.00 10.33 H new ATOM 0 HH TYR A 42 -12.510 -6.714 0.089 1.00 24.41 H new ATOM 682 N LYS A 43 -19.177 -2.265 -4.117 1.00 34.14 N ATOM 683 CA LYS A 43 -20.138 -1.270 -4.570 1.00 41.51 C ATOM 684 C LYS A 43 -20.157 -0.084 -3.606 1.00 42.41 C ATOM 685 O LYS A 43 -19.819 1.034 -3.999 1.00 13.24 O ATOM 686 CB LYS A 43 -21.518 -1.926 -4.740 1.00 4.11 C ATOM 687 CG LYS A 43 -21.467 -3.039 -5.798 1.00 72.44 C ATOM 688 CD LYS A 43 -22.856 -3.527 -6.211 1.00 5.12 C ATOM 689 CE LYS A 43 -23.524 -2.546 -7.184 1.00 23.22 C ATOM 690 NZ LYS A 43 -23.238 -2.840 -8.603 1.00 62.11 N ATOM 0 H LYS A 43 -19.599 -3.010 -3.563 1.00 34.14 H new ATOM 0 HA LYS A 43 -19.845 -0.878 -5.544 1.00 41.51 H new ATOM 0 HB2 LYS A 43 -21.849 -2.339 -3.787 1.00 4.11 H new ATOM 0 HB3 LYS A 43 -22.250 -1.173 -5.033 1.00 4.11 H new ATOM 0 HG2 LYS A 43 -20.939 -2.673 -6.678 1.00 72.44 H new ATOM 0 HG3 LYS A 43 -20.893 -3.879 -5.408 1.00 72.44 H new ATOM 0 HD2 LYS A 43 -22.775 -4.508 -6.679 1.00 5.12 H new ATOM 0 HD3 LYS A 43 -23.480 -3.646 -5.325 1.00 5.12 H new ATOM 0 HE2 LYS A 43 -24.602 -2.567 -7.027 1.00 23.22 H new ATOM 0 HE3 LYS A 43 -23.189 -1.534 -6.956 1.00 23.22 H new ATOM 0 HZ1 LYS A 43 -23.718 -2.142 -9.206 1.00 62.11 H new ATOM 0 HZ2 LYS A 43 -22.212 -2.792 -8.767 1.00 62.11 H new ATOM 0 HZ3 LYS A 43 -23.582 -3.793 -8.836 1.00 62.11 H new ATOM 704 N GLY A 44 -20.524 -0.315 -2.342 1.00 71.23 N ATOM 705 CA GLY A 44 -20.822 0.725 -1.360 1.00 50.54 C ATOM 706 C GLY A 44 -19.597 1.364 -0.708 1.00 14.24 C ATOM 707 O GLY A 44 -19.572 1.503 0.508 1.00 15.14 O ATOM 0 H GLY A 44 -20.624 -1.258 -1.966 1.00 71.23 H new ATOM 0 HA2 GLY A 44 -21.406 1.507 -1.846 1.00 50.54 H new ATOM 0 HA3 GLY A 44 -21.450 0.297 -0.578 1.00 50.54 H new ATOM 711 N ILE A 45 -18.598 1.762 -1.494 1.00 55.52 N ATOM 712 CA ILE A 45 -17.396 2.451 -1.036 1.00 24.21 C ATOM 713 C ILE A 45 -17.317 3.805 -1.733 1.00 53.14 C ATOM 714 O ILE A 45 -17.517 3.880 -2.950 1.00 2.13 O ATOM 715 CB ILE A 45 -16.152 1.555 -1.249 1.00 62.51 C ATOM 716 CG1 ILE A 45 -14.830 2.291 -0.937 1.00 14.11 C ATOM 717 CG2 ILE A 45 -16.108 0.844 -2.615 1.00 44.14 C ATOM 718 CD1 ILE A 45 -14.105 2.965 -2.111 1.00 41.11 C ATOM 0 H ILE A 45 -18.605 1.607 -2.502 1.00 55.52 H new ATOM 0 HA ILE A 45 -17.434 2.644 0.036 1.00 24.21 H new ATOM 0 HB ILE A 45 -16.260 0.757 -0.514 1.00 62.51 H new ATOM 0 HG12 ILE A 45 -15.038 3.053 -0.186 1.00 14.11 H new ATOM 0 HG13 ILE A 45 -14.144 1.575 -0.483 1.00 14.11 H new ATOM 0 HG21 ILE A 45 -15.205 0.238 -2.681 1.00 44.14 H new ATOM 0 HG22 ILE A 45 -16.983 0.203 -2.720 1.00 44.14 H new ATOM 0 HG23 ILE A 45 -16.105 1.587 -3.412 1.00 44.14 H new ATOM 0 HD11 ILE A 45 -13.194 3.443 -1.750 1.00 41.11 H new ATOM 0 HD12 ILE A 45 -13.849 2.215 -2.860 1.00 41.11 H new ATOM 0 HD13 ILE A 45 -14.756 3.716 -2.558 1.00 41.11 H new ATOM 730 N LYS A 46 -16.988 4.860 -0.986 1.00 24.44 N ATOM 731 CA LYS A 46 -16.800 6.208 -1.501 1.00 63.10 C ATOM 732 C LYS A 46 -15.299 6.464 -1.580 1.00 45.04 C ATOM 733 O LYS A 46 -14.554 6.116 -0.664 1.00 54.42 O ATOM 734 CB LYS A 46 -17.538 7.176 -0.565 1.00 32.14 C ATOM 735 CG LYS A 46 -17.865 8.538 -1.191 1.00 24.41 C ATOM 736 CD LYS A 46 -16.718 9.552 -1.119 1.00 14.11 C ATOM 737 CE LYS A 46 -17.308 10.962 -1.208 1.00 11.22 C ATOM 738 NZ LYS A 46 -16.319 12.004 -0.887 1.00 45.35 N ATOM 0 H LYS A 46 -16.842 4.794 0.021 1.00 24.44 H new ATOM 0 HA LYS A 46 -17.211 6.348 -2.501 1.00 63.10 H new ATOM 0 HB2 LYS A 46 -18.466 6.708 -0.237 1.00 32.14 H new ATOM 0 HB3 LYS A 46 -16.930 7.336 0.325 1.00 32.14 H new ATOM 0 HG2 LYS A 46 -18.139 8.389 -2.235 1.00 24.41 H new ATOM 0 HG3 LYS A 46 -18.737 8.956 -0.689 1.00 24.41 H new ATOM 0 HD2 LYS A 46 -16.164 9.432 -0.188 1.00 14.11 H new ATOM 0 HD3 LYS A 46 -16.013 9.385 -1.933 1.00 14.11 H new ATOM 0 HE2 LYS A 46 -17.694 11.129 -2.213 1.00 11.22 H new ATOM 0 HE3 LYS A 46 -18.153 11.043 -0.524 1.00 11.22 H new ATOM 0 HZ1 LYS A 46 -16.765 12.941 -0.961 1.00 45.35 H new ATOM 0 HZ2 LYS A 46 -15.968 11.863 0.082 1.00 45.35 H new ATOM 0 HZ3 LYS A 46 -15.524 11.946 -1.555 1.00 45.35 H new ATOM 752 N ILE A 47 -14.832 7.054 -2.680 1.00 12.25 N ATOM 753 CA ILE A 47 -13.411 7.331 -2.865 1.00 71.53 C ATOM 754 C ILE A 47 -13.105 8.620 -2.106 1.00 74.03 C ATOM 755 O ILE A 47 -13.574 9.692 -2.489 1.00 23.10 O ATOM 756 CB ILE A 47 -13.043 7.446 -4.362 1.00 42.05 C ATOM 757 CG1 ILE A 47 -13.545 6.268 -5.229 1.00 13.11 C ATOM 758 CG2 ILE A 47 -11.523 7.614 -4.528 1.00 3.32 C ATOM 759 CD1 ILE A 47 -12.868 4.931 -4.913 1.00 14.12 C ATOM 0 H ILE A 47 -15.421 7.350 -3.458 1.00 12.25 H new ATOM 0 HA ILE A 47 -12.808 6.510 -2.477 1.00 71.53 H new ATOM 0 HB ILE A 47 -13.562 8.332 -4.728 1.00 42.05 H new ATOM 0 HG12 ILE A 47 -14.621 6.161 -5.091 1.00 13.11 H new ATOM 0 HG13 ILE A 47 -13.381 6.508 -6.280 1.00 13.11 H new ATOM 0 HG21 ILE A 47 -11.279 7.694 -5.587 1.00 3.32 H new ATOM 0 HG22 ILE A 47 -11.198 8.518 -4.012 1.00 3.32 H new ATOM 0 HG23 ILE A 47 -11.013 6.750 -4.102 1.00 3.32 H new ATOM 0 HD11 ILE A 47 -13.274 4.155 -5.562 1.00 14.12 H new ATOM 0 HD12 ILE A 47 -11.794 5.019 -5.079 1.00 14.12 H new ATOM 0 HD13 ILE A 47 -13.053 4.666 -3.872 1.00 14.12 H new ATOM 771 N GLN A 48 -12.341 8.530 -1.026 1.00 31.10 N ATOM 772 CA GLN A 48 -11.868 9.662 -0.239 1.00 12.13 C ATOM 773 C GLN A 48 -10.519 9.313 0.373 1.00 74.54 C ATOM 774 O GLN A 48 -10.132 8.150 0.336 1.00 30.12 O ATOM 775 CB GLN A 48 -12.886 10.003 0.851 1.00 13.42 C ATOM 776 CG GLN A 48 -13.128 8.846 1.835 1.00 13.02 C ATOM 777 CD GLN A 48 -13.805 9.314 3.111 1.00 4.14 C ATOM 778 OE1 GLN A 48 -14.884 8.839 3.448 1.00 60.42 O ATOM 779 NE2 GLN A 48 -13.190 10.236 3.838 1.00 24.54 N ATOM 0 H GLN A 48 -12.021 7.633 -0.660 1.00 31.10 H new ATOM 0 HA GLN A 48 -11.753 10.536 -0.880 1.00 12.13 H new ATOM 0 HB2 GLN A 48 -12.538 10.876 1.404 1.00 13.42 H new ATOM 0 HB3 GLN A 48 -13.831 10.278 0.383 1.00 13.42 H new ATOM 0 HG2 GLN A 48 -13.745 8.086 1.356 1.00 13.02 H new ATOM 0 HG3 GLN A 48 -12.176 8.375 2.082 1.00 13.02 H new ATOM 0 HE21 GLN A 48 -12.293 10.612 3.532 1.00 24.54 H new ATOM 0 HE22 GLN A 48 -13.614 10.569 4.704 1.00 24.54 H new ATOM 788 N GLU A 49 -9.832 10.283 0.972 1.00 31.00 N ATOM 789 CA GLU A 49 -8.484 10.106 1.524 1.00 75.22 C ATOM 790 C GLU A 49 -8.549 9.981 3.053 1.00 51.54 C ATOM 791 O GLU A 49 -7.645 10.378 3.792 1.00 3.44 O ATOM 792 CB GLU A 49 -7.502 11.140 0.941 1.00 24.20 C ATOM 793 CG GLU A 49 -7.928 12.613 0.965 1.00 71.34 C ATOM 794 CD GLU A 49 -7.837 13.267 2.341 1.00 63.51 C ATOM 795 OE1 GLU A 49 -8.841 13.249 3.088 1.00 61.31 O ATOM 796 OE2 GLU A 49 -6.791 13.862 2.687 1.00 62.15 O ATOM 0 H GLU A 49 -10.198 11.228 1.091 1.00 31.00 H new ATOM 0 HA GLU A 49 -8.052 9.158 1.202 1.00 75.22 H new ATOM 0 HB2 GLU A 49 -6.561 11.053 1.484 1.00 24.20 H new ATOM 0 HB3 GLU A 49 -7.300 10.865 -0.094 1.00 24.20 H new ATOM 0 HG2 GLU A 49 -7.304 13.172 0.267 1.00 71.34 H new ATOM 0 HG3 GLU A 49 -8.954 12.689 0.606 1.00 71.34 H new ATOM 803 N GLY A 50 -9.666 9.418 3.508 1.00 34.43 N ATOM 804 CA GLY A 50 -9.927 9.034 4.879 1.00 11.13 C ATOM 805 C GLY A 50 -9.646 7.549 5.050 1.00 3.10 C ATOM 806 O GLY A 50 -9.275 6.846 4.103 1.00 62.04 O ATOM 0 H GLY A 50 -10.451 9.209 2.891 1.00 34.43 H new ATOM 0 HA2 GLY A 50 -9.300 9.614 5.556 1.00 11.13 H new ATOM 0 HA3 GLY A 50 -10.963 9.252 5.138 1.00 11.13 H new ATOM 810 N ILE A 51 -9.860 7.058 6.268 1.00 54.44 N ATOM 811 CA ILE A 51 -10.072 5.639 6.496 1.00 22.31 C ATOM 812 C ILE A 51 -11.372 5.278 5.775 1.00 41.43 C ATOM 813 O ILE A 51 -12.317 6.064 5.762 1.00 50.40 O ATOM 814 CB ILE A 51 -10.100 5.361 8.013 1.00 23.53 C ATOM 815 CG1 ILE A 51 -8.743 5.686 8.688 1.00 10.04 C ATOM 816 CG2 ILE A 51 -10.530 3.922 8.325 1.00 53.11 C ATOM 817 CD1 ILE A 51 -7.564 4.759 8.376 1.00 43.03 C ATOM 0 H ILE A 51 -9.890 7.628 7.113 1.00 54.44 H new ATOM 0 HA ILE A 51 -9.269 5.016 6.101 1.00 22.31 H new ATOM 0 HB ILE A 51 -10.850 6.031 8.434 1.00 23.53 H new ATOM 0 HG12 ILE A 51 -8.459 6.700 8.405 1.00 10.04 H new ATOM 0 HG13 ILE A 51 -8.895 5.687 9.767 1.00 10.04 H new ATOM 0 HG21 ILE A 51 -10.536 3.770 9.404 1.00 53.11 H new ATOM 0 HG22 ILE A 51 -11.530 3.747 7.928 1.00 53.11 H new ATOM 0 HG23 ILE A 51 -9.830 3.225 7.864 1.00 53.11 H new ATOM 0 HD11 ILE A 51 -6.680 5.102 8.913 1.00 43.03 H new ATOM 0 HD12 ILE A 51 -7.807 3.743 8.688 1.00 43.03 H new ATOM 0 HD13 ILE A 51 -7.365 4.771 7.304 1.00 43.03 H new ATOM 829 N VAL A 52 -11.386 4.102 5.155 1.00 73.54 N ATOM 830 CA VAL A 52 -12.506 3.569 4.403 1.00 12.40 C ATOM 831 C VAL A 52 -12.550 2.087 4.771 1.00 40.42 C ATOM 832 O VAL A 52 -11.878 1.260 4.151 1.00 51.23 O ATOM 833 CB VAL A 52 -12.312 3.850 2.897 1.00 55.34 C ATOM 834 CG1 VAL A 52 -13.461 3.288 2.062 1.00 40.32 C ATOM 835 CG2 VAL A 52 -12.224 5.350 2.575 1.00 54.31 C ATOM 0 H VAL A 52 -10.583 3.473 5.166 1.00 73.54 H new ATOM 0 HA VAL A 52 -13.463 4.033 4.641 1.00 12.40 H new ATOM 0 HB VAL A 52 -11.371 3.361 2.646 1.00 55.34 H new ATOM 0 HG11 VAL A 52 -13.286 3.507 1.009 1.00 40.32 H new ATOM 0 HG12 VAL A 52 -13.520 2.209 2.204 1.00 40.32 H new ATOM 0 HG13 VAL A 52 -14.398 3.747 2.377 1.00 40.32 H new ATOM 0 HG21 VAL A 52 -12.088 5.484 1.502 1.00 54.31 H new ATOM 0 HG22 VAL A 52 -13.144 5.844 2.889 1.00 54.31 H new ATOM 0 HG23 VAL A 52 -11.378 5.787 3.106 1.00 54.31 H new ATOM 845 N ASP A 53 -13.263 1.771 5.846 1.00 4.11 N ATOM 846 CA ASP A 53 -13.415 0.455 6.473 1.00 62.25 C ATOM 847 C ASP A 53 -14.559 -0.308 5.779 1.00 63.22 C ATOM 848 O ASP A 53 -15.568 -0.664 6.397 1.00 45.13 O ATOM 849 CB ASP A 53 -13.669 0.690 7.974 1.00 25.23 C ATOM 850 CG ASP A 53 -13.551 -0.569 8.835 1.00 60.42 C ATOM 851 OD1 ASP A 53 -14.557 -1.298 8.991 1.00 64.41 O ATOM 852 OD2 ASP A 53 -12.472 -0.775 9.435 1.00 14.42 O ATOM 0 H ASP A 53 -13.795 2.484 6.345 1.00 4.11 H new ATOM 0 HA ASP A 53 -12.522 -0.161 6.366 1.00 62.25 H new ATOM 0 HB2 ASP A 53 -12.960 1.434 8.339 1.00 25.23 H new ATOM 0 HB3 ASP A 53 -14.666 1.111 8.101 1.00 25.23 H new ATOM 857 N TYR A 54 -14.462 -0.512 4.461 1.00 14.42 N ATOM 858 CA TYR A 54 -15.498 -1.168 3.669 1.00 64.40 C ATOM 859 C TYR A 54 -14.953 -2.473 3.091 1.00 32.13 C ATOM 860 O TYR A 54 -14.388 -2.511 1.996 1.00 51.22 O ATOM 861 CB TYR A 54 -16.103 -0.221 2.624 1.00 22.41 C ATOM 862 CG TYR A 54 -17.405 -0.762 2.067 1.00 34.31 C ATOM 863 CD1 TYR A 54 -18.575 -0.697 2.848 1.00 52.22 C ATOM 864 CD2 TYR A 54 -17.446 -1.365 0.797 1.00 52.10 C ATOM 865 CE1 TYR A 54 -19.784 -1.224 2.363 1.00 32.12 C ATOM 866 CE2 TYR A 54 -18.655 -1.877 0.296 1.00 71.43 C ATOM 867 CZ TYR A 54 -19.827 -1.816 1.081 1.00 34.35 C ATOM 868 OH TYR A 54 -20.971 -2.382 0.604 1.00 23.21 O ATOM 0 H TYR A 54 -13.653 -0.222 3.912 1.00 14.42 H new ATOM 0 HA TYR A 54 -16.336 -1.433 4.313 1.00 64.40 H new ATOM 0 HB2 TYR A 54 -16.278 0.756 3.075 1.00 22.41 H new ATOM 0 HB3 TYR A 54 -15.392 -0.074 1.811 1.00 22.41 H new ATOM 0 HD1 TYR A 54 -18.543 -0.239 3.826 1.00 52.22 H new ATOM 0 HD2 TYR A 54 -16.545 -1.435 0.205 1.00 52.10 H new ATOM 0 HE1 TYR A 54 -20.677 -1.177 2.968 1.00 32.12 H new ATOM 0 HE2 TYR A 54 -18.688 -2.317 -0.690 1.00 71.43 H new ATOM 0 HH TYR A 54 -20.810 -2.737 -0.295 1.00 23.21 H new ATOM 878 N GLY A 55 -15.086 -3.558 3.853 1.00 41.52 N ATOM 879 CA GLY A 55 -14.658 -4.890 3.450 1.00 45.14 C ATOM 880 C GLY A 55 -13.186 -5.117 3.741 1.00 44.01 C ATOM 881 O GLY A 55 -12.827 -6.071 4.425 1.00 22.41 O ATOM 0 H GLY A 55 -15.502 -3.532 4.784 1.00 41.52 H new ATOM 0 HA2 GLY A 55 -15.253 -5.638 3.975 1.00 45.14 H new ATOM 0 HA3 GLY A 55 -14.844 -5.025 2.385 1.00 45.14 H new ATOM 885 N VAL A 56 -12.335 -4.220 3.256 1.00 31.23 N ATOM 886 CA VAL A 56 -10.934 -4.109 3.617 1.00 43.22 C ATOM 887 C VAL A 56 -10.742 -2.638 3.962 1.00 11.14 C ATOM 888 O VAL A 56 -11.113 -1.762 3.176 1.00 13.23 O ATOM 889 CB VAL A 56 -10.039 -4.588 2.458 1.00 25.31 C ATOM 890 CG1 VAL A 56 -8.544 -4.407 2.757 1.00 53.20 C ATOM 891 CG2 VAL A 56 -10.269 -6.067 2.113 1.00 14.35 C ATOM 0 H VAL A 56 -12.620 -3.521 2.570 1.00 31.23 H new ATOM 0 HA VAL A 56 -10.652 -4.739 4.461 1.00 43.22 H new ATOM 0 HB VAL A 56 -10.324 -3.962 1.612 1.00 25.31 H new ATOM 0 HG11 VAL A 56 -7.958 -4.760 1.908 1.00 53.20 H new ATOM 0 HG12 VAL A 56 -8.333 -3.352 2.930 1.00 53.20 H new ATOM 0 HG13 VAL A 56 -8.279 -4.981 3.645 1.00 53.20 H new ATOM 0 HG21 VAL A 56 -9.614 -6.355 1.290 1.00 14.35 H new ATOM 0 HG22 VAL A 56 -10.048 -6.683 2.985 1.00 14.35 H new ATOM 0 HG23 VAL A 56 -11.308 -6.215 1.819 1.00 14.35 H new ATOM 901 N ARG A 57 -10.210 -2.357 5.151 1.00 45.43 N ATOM 902 CA ARG A 57 -9.787 -1.022 5.563 1.00 23.11 C ATOM 903 C ARG A 57 -8.603 -0.615 4.689 1.00 41.01 C ATOM 904 O ARG A 57 -7.463 -0.968 4.974 1.00 4.31 O ATOM 905 CB ARG A 57 -9.543 -0.945 7.088 1.00 75.10 C ATOM 906 CG ARG A 57 -8.743 -2.114 7.687 1.00 24.04 C ATOM 907 CD ARG A 57 -8.808 -2.224 9.215 1.00 5.23 C ATOM 908 NE ARG A 57 -8.311 -1.029 9.893 1.00 4.24 N ATOM 909 CZ ARG A 57 -7.671 -0.967 11.063 1.00 3.12 C ATOM 910 NH1 ARG A 57 -7.407 -2.055 11.774 1.00 24.21 N ATOM 911 NH2 ARG A 57 -7.245 0.221 11.466 1.00 71.20 N ATOM 0 H ARG A 57 -10.059 -3.066 5.868 1.00 45.43 H new ATOM 0 HA ARG A 57 -10.577 -0.288 5.402 1.00 23.11 H new ATOM 0 HB2 ARG A 57 -9.017 -0.016 7.308 1.00 75.10 H new ATOM 0 HB3 ARG A 57 -10.508 -0.892 7.591 1.00 75.10 H new ATOM 0 HG2 ARG A 57 -9.109 -3.045 7.254 1.00 24.04 H new ATOM 0 HG3 ARG A 57 -7.700 -2.012 7.389 1.00 24.04 H new ATOM 0 HD2 ARG A 57 -9.839 -2.405 9.518 1.00 5.23 H new ATOM 0 HD3 ARG A 57 -8.225 -3.087 9.537 1.00 5.23 H new ATOM 0 HE ARG A 57 -8.471 -0.141 9.418 1.00 4.24 H new ATOM 0 HH11 ARG A 57 -7.695 -2.971 11.430 1.00 24.21 H new ATOM 0 HH12 ARG A 57 -6.916 -1.976 12.665 1.00 24.21 H new ATOM 0 HH21 ARG A 57 -7.411 1.045 10.888 1.00 71.20 H new ATOM 0 HH22 ARG A 57 -6.752 0.312 12.354 1.00 71.20 H new ATOM 925 N PHE A 58 -8.891 0.046 3.566 1.00 23.13 N ATOM 926 CA PHE A 58 -7.895 0.339 2.546 1.00 3.02 C ATOM 927 C PHE A 58 -6.999 1.502 2.978 1.00 52.12 C ATOM 928 O PHE A 58 -5.871 1.242 3.360 1.00 4.31 O ATOM 929 CB PHE A 58 -8.556 0.511 1.167 1.00 31.22 C ATOM 930 CG PHE A 58 -9.089 -0.741 0.496 1.00 15.31 C ATOM 931 CD1 PHE A 58 -8.255 -1.860 0.323 1.00 2.14 C ATOM 932 CD2 PHE A 58 -10.378 -0.756 -0.066 1.00 14.33 C ATOM 933 CE1 PHE A 58 -8.716 -3.002 -0.349 1.00 33.11 C ATOM 934 CE2 PHE A 58 -10.857 -1.913 -0.701 1.00 31.22 C ATOM 935 CZ PHE A 58 -10.031 -3.038 -0.835 1.00 14.43 C ATOM 0 H PHE A 58 -9.824 0.392 3.343 1.00 23.13 H new ATOM 0 HA PHE A 58 -7.224 -0.513 2.435 1.00 3.02 H new ATOM 0 HB2 PHE A 58 -9.381 1.216 1.273 1.00 31.22 H new ATOM 0 HB3 PHE A 58 -7.828 0.970 0.498 1.00 31.22 H new ATOM 0 HD1 PHE A 58 -7.248 -1.840 0.712 1.00 2.14 H new ATOM 0 HD2 PHE A 58 -11.001 0.124 -0.009 1.00 14.33 H new ATOM 0 HE1 PHE A 58 -8.061 -3.849 -0.491 1.00 33.11 H new ATOM 0 HE2 PHE A 58 -11.865 -1.936 -1.088 1.00 31.22 H new ATOM 0 HZ PHE A 58 -10.407 -3.931 -1.312 1.00 14.43 H new ATOM 945 N PHE A 59 -7.558 2.718 3.049 1.00 33.20 N ATOM 946 CA PHE A 59 -6.991 4.048 3.345 1.00 12.51 C ATOM 947 C PHE A 59 -6.226 4.712 2.176 1.00 4.24 C ATOM 948 O PHE A 59 -5.074 4.383 1.896 1.00 14.54 O ATOM 949 CB PHE A 59 -6.069 3.880 4.552 1.00 63.12 C ATOM 950 CG PHE A 59 -5.519 5.134 5.182 1.00 32.11 C ATOM 951 CD1 PHE A 59 -6.367 6.119 5.705 1.00 3.11 C ATOM 952 CD2 PHE A 59 -4.128 5.301 5.257 1.00 11.21 C ATOM 953 CE1 PHE A 59 -5.834 7.265 6.307 1.00 52.23 C ATOM 954 CE2 PHE A 59 -3.592 6.454 5.840 1.00 52.43 C ATOM 955 CZ PHE A 59 -4.446 7.439 6.364 1.00 71.42 C ATOM 0 H PHE A 59 -8.559 2.806 2.876 1.00 33.20 H new ATOM 0 HA PHE A 59 -7.822 4.726 3.539 1.00 12.51 H new ATOM 0 HB2 PHE A 59 -6.614 3.329 5.318 1.00 63.12 H new ATOM 0 HB3 PHE A 59 -5.227 3.257 4.249 1.00 63.12 H new ATOM 0 HD1 PHE A 59 -7.438 5.993 5.643 1.00 3.11 H new ATOM 0 HD2 PHE A 59 -3.471 4.539 4.864 1.00 11.21 H new ATOM 0 HE1 PHE A 59 -6.491 8.012 6.726 1.00 52.23 H new ATOM 0 HE2 PHE A 59 -2.521 6.587 5.887 1.00 52.43 H new ATOM 0 HZ PHE A 59 -4.032 8.331 6.811 1.00 71.42 H new ATOM 965 N PHE A 60 -6.881 5.639 1.459 1.00 5.31 N ATOM 966 CA PHE A 60 -6.370 6.145 0.178 1.00 23.24 C ATOM 967 C PHE A 60 -5.550 7.428 0.325 1.00 43.13 C ATOM 968 O PHE A 60 -5.752 8.183 1.279 1.00 51.41 O ATOM 969 CB PHE A 60 -7.522 6.435 -0.800 1.00 62.50 C ATOM 970 CG PHE A 60 -8.433 5.269 -1.136 1.00 31.44 C ATOM 971 CD1 PHE A 60 -9.523 4.942 -0.306 1.00 72.32 C ATOM 972 CD2 PHE A 60 -8.157 4.474 -2.264 1.00 61.00 C ATOM 973 CE1 PHE A 60 -10.299 3.802 -0.583 1.00 53.10 C ATOM 974 CE2 PHE A 60 -8.927 3.327 -2.532 1.00 53.35 C ATOM 975 CZ PHE A 60 -9.996 2.987 -1.686 1.00 74.14 C ATOM 0 H PHE A 60 -7.768 6.053 1.747 1.00 5.31 H new ATOM 0 HA PHE A 60 -5.723 5.357 -0.206 1.00 23.24 H new ATOM 0 HB2 PHE A 60 -8.132 7.235 -0.381 1.00 62.50 H new ATOM 0 HB3 PHE A 60 -7.094 6.813 -1.729 1.00 62.50 H new ATOM 0 HD1 PHE A 60 -9.763 5.566 0.542 1.00 72.32 H new ATOM 0 HD2 PHE A 60 -7.350 4.746 -2.928 1.00 61.00 H new ATOM 0 HE1 PHE A 60 -11.133 3.552 0.056 1.00 53.10 H new ATOM 0 HE2 PHE A 60 -8.696 2.709 -3.387 1.00 53.35 H new ATOM 0 HZ PHE A 60 -10.583 2.102 -1.883 1.00 74.14 H new ATOM 985 N TYR A 61 -4.744 7.750 -0.700 1.00 53.20 N ATOM 986 CA TYR A 61 -3.955 8.986 -0.794 1.00 10.01 C ATOM 987 C TYR A 61 -4.188 9.685 -2.119 1.00 11.43 C ATOM 988 O TYR A 61 -4.000 9.093 -3.181 1.00 12.04 O ATOM 989 CB TYR A 61 -2.446 8.715 -0.701 1.00 3.34 C ATOM 990 CG TYR A 61 -2.062 7.742 0.377 1.00 44.03 C ATOM 991 CD1 TYR A 61 -2.587 7.932 1.660 1.00 3.11 C ATOM 992 CD2 TYR A 61 -1.276 6.612 0.086 1.00 24.15 C ATOM 993 CE1 TYR A 61 -2.386 6.968 2.645 1.00 31.20 C ATOM 994 CE2 TYR A 61 -1.010 5.674 1.095 1.00 5.25 C ATOM 995 CZ TYR A 61 -1.570 5.852 2.381 1.00 34.03 C ATOM 996 OH TYR A 61 -1.301 4.986 3.388 1.00 42.25 O ATOM 0 H TYR A 61 -4.621 7.140 -1.508 1.00 53.20 H new ATOM 0 HA TYR A 61 -4.280 9.606 0.041 1.00 10.01 H new ATOM 0 HB2 TYR A 61 -2.097 8.334 -1.661 1.00 3.34 H new ATOM 0 HB3 TYR A 61 -1.929 9.658 -0.525 1.00 3.34 H new ATOM 0 HD1 TYR A 61 -3.148 8.826 1.887 1.00 3.11 H new ATOM 0 HD2 TYR A 61 -0.880 6.467 -0.908 1.00 24.15 H new ATOM 0 HE1 TYR A 61 -2.856 7.077 3.611 1.00 31.20 H new ATOM 0 HE2 TYR A 61 -0.381 4.820 0.890 1.00 5.25 H new ATOM 0 HH TYR A 61 -1.890 5.175 4.148 1.00 42.25 H new ATOM 1006 N THR A 62 -4.515 10.969 -2.082 1.00 73.41 N ATOM 1007 CA THR A 62 -4.367 11.812 -3.257 1.00 1.53 C ATOM 1008 C THR A 62 -2.874 11.994 -3.536 1.00 11.25 C ATOM 1009 O THR A 62 -2.108 12.233 -2.600 1.00 34.32 O ATOM 1010 CB THR A 62 -5.046 13.164 -3.025 1.00 12.35 C ATOM 1011 OG1 THR A 62 -4.713 13.667 -1.743 1.00 41.52 O ATOM 1012 CG2 THR A 62 -6.570 13.044 -3.111 1.00 71.04 C ATOM 0 H THR A 62 -4.881 11.446 -1.258 1.00 73.41 H new ATOM 0 HA THR A 62 -4.844 11.344 -4.118 1.00 1.53 H new ATOM 0 HB THR A 62 -4.693 13.841 -3.803 1.00 12.35 H new ATOM 0 HG1 THR A 62 -3.777 13.458 -1.542 1.00 41.52 H new ATOM 0 HG21 THR A 62 -7.022 14.021 -2.942 1.00 71.04 H new ATOM 0 HG22 THR A 62 -6.851 12.680 -4.099 1.00 71.04 H new ATOM 0 HG23 THR A 62 -6.923 12.345 -2.353 1.00 71.04 H new ATOM 1020 N SER A 63 -2.489 11.940 -4.808 1.00 40.23 N ATOM 1021 CA SER A 63 -1.143 12.181 -5.323 1.00 54.43 C ATOM 1022 C SER A 63 -0.520 13.497 -4.837 1.00 73.33 C ATOM 1023 O SER A 63 0.703 13.586 -4.721 1.00 65.12 O ATOM 1024 CB SER A 63 -1.189 12.109 -6.859 1.00 2.43 C ATOM 1025 OG SER A 63 -2.225 12.911 -7.407 1.00 45.25 O ATOM 0 H SER A 63 -3.148 11.713 -5.553 1.00 40.23 H new ATOM 0 HA SER A 63 -0.488 11.405 -4.927 1.00 54.43 H new ATOM 0 HB2 SER A 63 -0.230 12.432 -7.264 1.00 2.43 H new ATOM 0 HB3 SER A 63 -1.333 11.074 -7.168 1.00 2.43 H new ATOM 0 HG SER A 63 -2.215 12.836 -8.384 1.00 45.25 H new ATOM 1031 N LYS A 64 -1.354 14.491 -4.512 1.00 22.23 N ATOM 1032 CA LYS A 64 -0.948 15.767 -3.948 1.00 1.31 C ATOM 1033 C LYS A 64 -0.173 15.622 -2.640 1.00 72.21 C ATOM 1034 O LYS A 64 0.746 16.408 -2.406 1.00 40.35 O ATOM 1035 CB LYS A 64 -2.204 16.643 -3.762 1.00 45.13 C ATOM 1036 CG LYS A 64 -1.892 18.009 -3.126 1.00 52.13 C ATOM 1037 CD LYS A 64 -2.092 18.048 -1.606 1.00 25.13 C ATOM 1038 CE LYS A 64 -3.466 18.581 -1.205 1.00 11.25 C ATOM 1039 NZ LYS A 64 -3.618 18.573 0.262 1.00 1.25 N ATOM 0 H LYS A 64 -2.363 14.419 -4.642 1.00 22.23 H new ATOM 0 HA LYS A 64 -0.257 16.245 -4.642 1.00 1.31 H new ATOM 0 HB2 LYS A 64 -2.679 16.799 -4.731 1.00 45.13 H new ATOM 0 HB3 LYS A 64 -2.922 16.112 -3.137 1.00 45.13 H new ATOM 0 HG2 LYS A 64 -0.860 18.277 -3.354 1.00 52.13 H new ATOM 0 HG3 LYS A 64 -2.527 18.766 -3.586 1.00 52.13 H new ATOM 0 HD2 LYS A 64 -1.964 17.044 -1.201 1.00 25.13 H new ATOM 0 HD3 LYS A 64 -1.320 18.673 -1.158 1.00 25.13 H new ATOM 0 HE2 LYS A 64 -3.593 19.595 -1.584 1.00 11.25 H new ATOM 0 HE3 LYS A 64 -4.246 17.971 -1.660 1.00 11.25 H new ATOM 0 HZ1 LYS A 64 -4.453 19.134 0.528 1.00 1.25 H new ATOM 0 HZ2 LYS A 64 -3.738 17.595 0.593 1.00 1.25 H new ATOM 0 HZ3 LYS A 64 -2.770 18.985 0.701 1.00 1.25 H new ATOM 1053 N GLU A 65 -0.611 14.748 -1.728 1.00 24.32 N ATOM 1054 CA GLU A 65 -0.090 14.834 -0.366 1.00 13.43 C ATOM 1055 C GLU A 65 1.331 14.228 -0.390 1.00 24.53 C ATOM 1056 O GLU A 65 1.522 13.220 -1.083 1.00 32.43 O ATOM 1057 CB GLU A 65 -1.040 14.077 0.594 1.00 61.14 C ATOM 1058 CG GLU A 65 -1.198 14.713 1.995 1.00 43.03 C ATOM 1059 CD GLU A 65 -2.327 15.751 2.152 1.00 62.22 C ATOM 1060 OE1 GLU A 65 -3.060 16.055 1.186 1.00 55.40 O ATOM 1061 OE2 GLU A 65 -2.507 16.282 3.277 1.00 75.11 O ATOM 0 H GLU A 65 -1.292 14.008 -1.897 1.00 24.32 H new ATOM 0 HA GLU A 65 -0.035 15.862 -0.007 1.00 13.43 H new ATOM 0 HB2 GLU A 65 -2.024 14.010 0.129 1.00 61.14 H new ATOM 0 HB3 GLU A 65 -0.674 13.057 0.714 1.00 61.14 H new ATOM 0 HG2 GLU A 65 -1.366 13.913 2.716 1.00 43.03 H new ATOM 0 HG3 GLU A 65 -0.255 15.190 2.262 1.00 43.03 H new ATOM 1068 N PRO A 66 2.318 14.751 0.367 1.00 63.54 N ATOM 1069 CA PRO A 66 3.685 14.253 0.274 1.00 74.44 C ATOM 1070 C PRO A 66 3.838 12.906 0.977 1.00 43.24 C ATOM 1071 O PRO A 66 3.165 12.625 1.972 1.00 73.40 O ATOM 1072 CB PRO A 66 4.587 15.297 0.931 1.00 53.44 C ATOM 1073 CG PRO A 66 3.672 16.358 1.529 1.00 34.15 C ATOM 1074 CD PRO A 66 2.239 15.906 1.247 1.00 15.01 C ATOM 0 HA PRO A 66 3.956 14.097 -0.770 1.00 74.44 H new ATOM 0 HB2 PRO A 66 5.206 14.841 1.703 1.00 53.44 H new ATOM 0 HB3 PRO A 66 5.264 15.738 0.199 1.00 53.44 H new ATOM 0 HG2 PRO A 66 3.843 16.458 2.601 1.00 34.15 H new ATOM 0 HG3 PRO A 66 3.866 17.333 1.083 1.00 34.15 H new ATOM 0 HD2 PRO A 66 1.727 15.649 2.174 1.00 15.01 H new ATOM 0 HD3 PRO A 66 1.668 16.708 0.779 1.00 15.01 H new ATOM 1082 N VAL A 67 4.807 12.109 0.521 1.00 54.10 N ATOM 1083 CA VAL A 67 5.040 10.767 1.045 1.00 4.22 C ATOM 1084 C VAL A 67 5.423 10.841 2.531 1.00 41.14 C ATOM 1085 O VAL A 67 4.981 10.002 3.311 1.00 1.30 O ATOM 1086 CB VAL A 67 6.071 9.988 0.193 1.00 54.24 C ATOM 1087 CG1 VAL A 67 5.854 8.476 0.332 1.00 14.32 C ATOM 1088 CG2 VAL A 67 5.984 10.326 -1.301 1.00 2.41 C ATOM 0 H VAL A 67 5.451 12.379 -0.222 1.00 54.10 H new ATOM 0 HA VAL A 67 4.113 10.198 0.974 1.00 4.22 H new ATOM 0 HB VAL A 67 7.050 10.285 0.570 1.00 54.24 H new ATOM 0 HG11 VAL A 67 6.588 7.946 -0.274 1.00 14.32 H new ATOM 0 HG12 VAL A 67 5.969 8.186 1.377 1.00 14.32 H new ATOM 0 HG13 VAL A 67 4.850 8.220 -0.007 1.00 14.32 H new ATOM 0 HG21 VAL A 67 6.730 9.750 -1.848 1.00 2.41 H new ATOM 0 HG22 VAL A 67 4.990 10.078 -1.673 1.00 2.41 H new ATOM 0 HG23 VAL A 67 6.170 11.390 -1.445 1.00 2.41 H new ATOM 1098 N ALA A 68 6.144 11.885 2.958 1.00 23.33 N ATOM 1099 CA ALA A 68 6.454 12.127 4.364 1.00 22.41 C ATOM 1100 C ALA A 68 5.185 12.176 5.222 1.00 63.21 C ATOM 1101 O ALA A 68 5.064 11.477 6.235 1.00 73.35 O ATOM 1102 CB ALA A 68 7.179 13.466 4.479 1.00 4.32 C ATOM 0 H ALA A 68 6.530 12.589 2.329 1.00 23.33 H new ATOM 0 HA ALA A 68 7.077 11.309 4.725 1.00 22.41 H new ATOM 0 HB1 ALA A 68 7.418 13.662 5.524 1.00 4.32 H new ATOM 0 HB2 ALA A 68 8.100 13.432 3.896 1.00 4.32 H new ATOM 0 HB3 ALA A 68 6.538 14.261 4.098 1.00 4.32 H new ATOM 1108 N SER A 69 4.240 13.028 4.833 1.00 33.22 N ATOM 1109 CA SER A 69 3.000 13.232 5.566 1.00 40.43 C ATOM 1110 C SER A 69 2.142 11.963 5.510 1.00 3.24 C ATOM 1111 O SER A 69 1.463 11.632 6.483 1.00 34.31 O ATOM 1112 CB SER A 69 2.287 14.450 4.970 1.00 21.01 C ATOM 1113 OG SER A 69 3.208 15.532 4.900 1.00 53.22 O ATOM 0 H SER A 69 4.317 13.600 3.992 1.00 33.22 H new ATOM 0 HA SER A 69 3.196 13.428 6.620 1.00 40.43 H new ATOM 0 HB2 SER A 69 1.905 14.215 3.977 1.00 21.01 H new ATOM 0 HB3 SER A 69 1.430 14.724 5.585 1.00 21.01 H new ATOM 0 HG SER A 69 2.762 16.317 4.518 1.00 53.22 H new ATOM 1119 N ILE A 70 2.219 11.214 4.405 1.00 25.21 N ATOM 1120 CA ILE A 70 1.561 9.927 4.267 1.00 73.34 C ATOM 1121 C ILE A 70 2.125 8.947 5.310 1.00 75.32 C ATOM 1122 O ILE A 70 1.326 8.426 6.094 1.00 40.12 O ATOM 1123 CB ILE A 70 1.615 9.434 2.800 1.00 22.31 C ATOM 1124 CG1 ILE A 70 0.721 10.342 1.919 1.00 20.34 C ATOM 1125 CG2 ILE A 70 1.137 7.979 2.661 1.00 31.13 C ATOM 1126 CD1 ILE A 70 0.934 10.164 0.414 1.00 25.21 C ATOM 0 H ILE A 70 2.747 11.494 3.578 1.00 25.21 H new ATOM 0 HA ILE A 70 0.496 10.013 4.484 1.00 73.34 H new ATOM 0 HB ILE A 70 2.654 9.481 2.475 1.00 22.31 H new ATOM 0 HG12 ILE A 70 -0.324 10.140 2.153 1.00 20.34 H new ATOM 0 HG13 ILE A 70 0.911 11.383 2.181 1.00 20.34 H new ATOM 0 HG21 ILE A 70 1.192 7.676 1.615 1.00 31.13 H new ATOM 0 HG22 ILE A 70 1.773 7.328 3.261 1.00 31.13 H new ATOM 0 HG23 ILE A 70 0.107 7.900 3.008 1.00 31.13 H new ATOM 0 HD11 ILE A 70 0.270 10.836 -0.129 1.00 25.21 H new ATOM 0 HD12 ILE A 70 1.969 10.396 0.163 1.00 25.21 H new ATOM 0 HD13 ILE A 70 0.715 9.133 0.135 1.00 25.21 H new ATOM 1138 N ILE A 71 3.451 8.726 5.369 1.00 14.32 N ATOM 1139 CA ILE A 71 4.124 7.836 6.330 1.00 32.43 C ATOM 1140 C ILE A 71 3.606 8.126 7.742 1.00 65.43 C ATOM 1141 O ILE A 71 3.241 7.219 8.491 1.00 25.55 O ATOM 1142 CB ILE A 71 5.668 8.036 6.249 1.00 61.42 C ATOM 1143 CG1 ILE A 71 6.308 7.471 4.960 1.00 1.43 C ATOM 1144 CG2 ILE A 71 6.423 7.505 7.486 1.00 14.45 C ATOM 1145 CD1 ILE A 71 6.561 5.961 4.977 1.00 53.35 C ATOM 0 H ILE A 71 4.104 9.177 4.728 1.00 14.32 H new ATOM 0 HA ILE A 71 3.904 6.797 6.085 1.00 32.43 H new ATOM 0 HB ILE A 71 5.781 9.120 6.224 1.00 61.42 H new ATOM 0 HG12 ILE A 71 5.660 7.707 4.116 1.00 1.43 H new ATOM 0 HG13 ILE A 71 7.255 7.982 4.787 1.00 1.43 H new ATOM 0 HG21 ILE A 71 7.492 7.677 7.361 1.00 14.45 H new ATOM 0 HG22 ILE A 71 6.073 8.026 8.377 1.00 14.45 H new ATOM 0 HG23 ILE A 71 6.238 6.436 7.594 1.00 14.45 H new ATOM 0 HD11 ILE A 71 7.011 5.657 4.032 1.00 53.35 H new ATOM 0 HD12 ILE A 71 7.236 5.714 5.797 1.00 53.35 H new ATOM 0 HD13 ILE A 71 5.616 5.435 5.115 1.00 53.35 H new ATOM 1157 N THR A 72 3.574 9.408 8.095 1.00 4.10 N ATOM 1158 CA THR A 72 3.258 9.884 9.431 1.00 22.34 C ATOM 1159 C THR A 72 1.865 9.428 9.888 1.00 1.42 C ATOM 1160 O THR A 72 1.633 9.223 11.079 1.00 41.40 O ATOM 1161 CB THR A 72 3.402 11.413 9.427 1.00 0.13 C ATOM 1162 OG1 THR A 72 4.679 11.766 8.917 1.00 20.34 O ATOM 1163 CG2 THR A 72 3.276 11.997 10.835 1.00 20.23 C ATOM 0 H THR A 72 3.773 10.163 7.438 1.00 4.10 H new ATOM 0 HA THR A 72 3.949 9.454 10.155 1.00 22.34 H new ATOM 0 HB THR A 72 2.603 11.816 8.804 1.00 0.13 H new ATOM 0 HG1 THR A 72 4.650 11.772 7.937 1.00 20.34 H new ATOM 0 HG21 THR A 72 3.383 13.081 10.790 1.00 20.23 H new ATOM 0 HG22 THR A 72 2.299 11.746 11.247 1.00 20.23 H new ATOM 0 HG23 THR A 72 4.056 11.581 11.473 1.00 20.23 H new ATOM 1171 N LYS A 73 0.917 9.260 8.967 1.00 31.25 N ATOM 1172 CA LYS A 73 -0.433 8.801 9.278 1.00 1.40 C ATOM 1173 C LYS A 73 -0.408 7.314 9.663 1.00 73.43 C ATOM 1174 O LYS A 73 -0.915 6.948 10.726 1.00 34.21 O ATOM 1175 CB LYS A 73 -1.336 9.154 8.079 1.00 5.33 C ATOM 1176 CG LYS A 73 -2.459 10.141 8.439 1.00 74.31 C ATOM 1177 CD LYS A 73 -3.005 10.884 7.209 1.00 54.42 C ATOM 1178 CE LYS A 73 -2.111 12.065 6.808 1.00 72.43 C ATOM 1179 NZ LYS A 73 -2.594 12.721 5.575 1.00 11.40 N ATOM 0 H LYS A 73 1.068 9.441 7.975 1.00 31.25 H new ATOM 0 HA LYS A 73 -0.852 9.302 10.151 1.00 1.40 H new ATOM 0 HB2 LYS A 73 -0.724 9.583 7.285 1.00 5.33 H new ATOM 0 HB3 LYS A 73 -1.777 8.240 7.683 1.00 5.33 H new ATOM 0 HG2 LYS A 73 -3.272 9.601 8.924 1.00 74.31 H new ATOM 0 HG3 LYS A 73 -2.084 10.866 9.161 1.00 74.31 H new ATOM 0 HD2 LYS A 73 -3.086 10.190 6.372 1.00 54.42 H new ATOM 0 HD3 LYS A 73 -4.011 11.246 7.421 1.00 54.42 H new ATOM 0 HE2 LYS A 73 -2.082 12.792 7.620 1.00 72.43 H new ATOM 0 HE3 LYS A 73 -1.090 11.714 6.658 1.00 72.43 H new ATOM 0 HZ1 LYS A 73 -1.966 13.514 5.335 1.00 11.40 H new ATOM 0 HZ2 LYS A 73 -2.598 12.034 4.795 1.00 11.40 H new ATOM 0 HZ3 LYS A 73 -3.559 13.078 5.727 1.00 11.40 H new ATOM 1193 N LEU A 74 0.244 6.456 8.868 1.00 43.54 N ATOM 1194 CA LEU A 74 0.328 5.017 9.148 1.00 23.52 C ATOM 1195 C LEU A 74 1.065 4.750 10.463 1.00 33.13 C ATOM 1196 O LEU A 74 0.781 3.780 11.165 1.00 14.13 O ATOM 1197 CB LEU A 74 1.124 4.290 8.063 1.00 75.20 C ATOM 1198 CG LEU A 74 0.548 4.124 6.659 1.00 25.24 C ATOM 1199 CD1 LEU A 74 -0.887 3.575 6.642 1.00 2.41 C ATOM 1200 CD2 LEU A 74 0.704 5.414 5.854 1.00 70.31 C ATOM 0 H LEU A 74 0.727 6.739 8.015 1.00 43.54 H new ATOM 0 HA LEU A 74 -0.700 4.658 9.193 1.00 23.52 H new ATOM 0 HB2 LEU A 74 2.077 4.810 7.960 1.00 75.20 H new ATOM 0 HB3 LEU A 74 1.344 3.291 8.440 1.00 75.20 H new ATOM 0 HG LEU A 74 1.137 3.352 6.164 1.00 25.24 H new ATOM 0 HD11 LEU A 74 -1.230 3.484 5.611 1.00 2.41 H new ATOM 0 HD12 LEU A 74 -0.907 2.595 7.119 1.00 2.41 H new ATOM 0 HD13 LEU A 74 -1.544 4.256 7.184 1.00 2.41 H new ATOM 0 HD21 LEU A 74 0.287 5.273 4.857 1.00 70.31 H new ATOM 0 HD22 LEU A 74 0.175 6.223 6.358 1.00 70.31 H new ATOM 0 HD23 LEU A 74 1.761 5.667 5.773 1.00 70.31 H new ATOM 1212 N ASN A 75 2.019 5.613 10.806 1.00 43.21 N ATOM 1213 CA ASN A 75 2.770 5.558 12.064 1.00 22.04 C ATOM 1214 C ASN A 75 1.877 5.786 13.293 1.00 64.24 C ATOM 1215 O ASN A 75 2.360 5.645 14.421 1.00 42.14 O ATOM 1216 CB ASN A 75 3.881 6.624 12.072 1.00 63.50 C ATOM 1217 CG ASN A 75 5.249 6.161 11.588 1.00 54.12 C ATOM 1218 OD1 ASN A 75 5.497 4.986 11.343 1.00 32.45 O ATOM 1219 ND2 ASN A 75 6.179 7.090 11.447 1.00 0.11 N ATOM 0 H ASN A 75 2.300 6.388 10.205 1.00 43.21 H new ATOM 0 HA ASN A 75 3.194 4.556 12.124 1.00 22.04 H new ATOM 0 HB2 ASN A 75 3.561 7.460 11.450 1.00 63.50 H new ATOM 0 HB3 ASN A 75 3.986 7.004 13.088 1.00 63.50 H new ATOM 0 HD21 ASN A 75 7.114 6.832 11.131 1.00 0.11 H new ATOM 0 HD22 ASN A 75 5.962 8.065 11.654 1.00 0.11 H new ATOM 1226 N SER A 76 0.616 6.169 13.093 1.00 73.31 N ATOM 1227 CA SER A 76 -0.313 6.598 14.122 1.00 30.44 C ATOM 1228 C SER A 76 -1.446 5.569 14.228 1.00 12.54 C ATOM 1229 O SER A 76 -1.827 5.174 15.331 1.00 62.51 O ATOM 1230 CB SER A 76 -0.756 8.008 13.761 1.00 3.25 C ATOM 1231 OG SER A 76 -1.106 8.786 14.887 1.00 2.32 O ATOM 0 H SER A 76 0.201 6.187 12.162 1.00 73.31 H new ATOM 0 HA SER A 76 0.129 6.643 15.117 1.00 30.44 H new ATOM 0 HB2 SER A 76 0.047 8.507 13.218 1.00 3.25 H new ATOM 0 HB3 SER A 76 -1.610 7.952 13.086 1.00 3.25 H new ATOM 0 HG SER A 76 -1.380 9.680 14.594 1.00 2.32 H new ATOM 1237 N LEU A 77 -1.899 5.018 13.094 1.00 70.22 N ATOM 1238 CA LEU A 77 -2.537 3.718 12.989 1.00 61.30 C ATOM 1239 C LEU A 77 -1.769 2.678 13.790 1.00 33.04 C ATOM 1240 O LEU A 77 -2.373 1.983 14.608 1.00 0.32 O ATOM 1241 CB LEU A 77 -2.556 3.320 11.504 1.00 64.20 C ATOM 1242 CG LEU A 77 -3.764 3.804 10.701 1.00 25.10 C ATOM 1243 CD1 LEU A 77 -4.905 2.838 10.962 1.00 40.34 C ATOM 1244 CD2 LEU A 77 -4.245 5.223 11.021 1.00 62.24 C ATOM 0 H LEU A 77 -1.823 5.492 12.194 1.00 70.22 H new ATOM 0 HA LEU A 77 -3.550 3.769 13.388 1.00 61.30 H new ATOM 0 HB2 LEU A 77 -1.652 3.705 11.032 1.00 64.20 H new ATOM 0 HB3 LEU A 77 -2.511 2.233 11.438 1.00 64.20 H new ATOM 0 HG LEU A 77 -3.447 3.835 9.659 1.00 25.10 H new ATOM 0 HD11 LEU A 77 -5.785 3.155 10.403 1.00 40.34 H new ATOM 0 HD12 LEU A 77 -4.614 1.837 10.644 1.00 40.34 H new ATOM 0 HD13 LEU A 77 -5.136 2.828 12.027 1.00 40.34 H new ATOM 0 HD21 LEU A 77 -5.105 5.465 10.396 1.00 62.24 H new ATOM 0 HD22 LEU A 77 -4.531 5.282 12.071 1.00 62.24 H new ATOM 0 HD23 LEU A 77 -3.442 5.933 10.824 1.00 62.24 H new ATOM 1256 N ASN A 78 -0.456 2.572 13.549 1.00 34.51 N ATOM 1257 CA ASN A 78 0.450 1.592 14.158 1.00 21.31 C ATOM 1258 C ASN A 78 0.098 0.142 13.771 1.00 1.45 C ATOM 1259 O ASN A 78 0.624 -0.808 14.353 1.00 32.54 O ATOM 1260 CB ASN A 78 0.509 1.821 15.682 1.00 32.33 C ATOM 1261 CG ASN A 78 1.648 1.083 16.370 1.00 31.20 C ATOM 1262 OD1 ASN A 78 2.699 0.839 15.785 1.00 61.14 O ATOM 1263 ND2 ASN A 78 1.501 0.812 17.661 1.00 41.12 N ATOM 0 H ASN A 78 0.023 3.193 12.897 1.00 34.51 H new ATOM 0 HA ASN A 78 1.452 1.746 13.758 1.00 21.31 H new ATOM 0 HB2 ASN A 78 0.611 2.889 15.876 1.00 32.33 H new ATOM 0 HB3 ASN A 78 -0.436 1.505 16.124 1.00 32.33 H new ATOM 0 HD21 ASN A 78 2.270 0.393 18.185 1.00 41.12 H new ATOM 0 HD22 ASN A 78 0.620 1.022 18.129 1.00 41.12 H new ATOM 1270 N GLU A 79 -0.812 -0.033 12.810 1.00 72.33 N ATOM 1271 CA GLU A 79 -1.366 -1.327 12.420 1.00 55.03 C ATOM 1272 C GLU A 79 -0.456 -2.110 11.471 1.00 22.11 C ATOM 1273 O GLU A 79 0.396 -1.511 10.819 1.00 45.21 O ATOM 1274 CB GLU A 79 -2.720 -1.089 11.729 1.00 33.51 C ATOM 1275 CG GLU A 79 -3.844 -0.683 12.690 1.00 34.32 C ATOM 1276 CD GLU A 79 -4.226 -1.782 13.691 1.00 14.31 C ATOM 1277 OE1 GLU A 79 -3.409 -2.134 14.573 1.00 40.44 O ATOM 1278 OE2 GLU A 79 -5.369 -2.287 13.618 1.00 35.02 O ATOM 0 H GLU A 79 -1.192 0.743 12.269 1.00 72.33 H new ATOM 0 HA GLU A 79 -1.472 -1.924 13.326 1.00 55.03 H new ATOM 0 HB2 GLU A 79 -2.601 -0.311 10.975 1.00 33.51 H new ATOM 0 HB3 GLU A 79 -3.014 -1.998 11.204 1.00 33.51 H new ATOM 0 HG2 GLU A 79 -3.536 0.206 13.240 1.00 34.32 H new ATOM 0 HG3 GLU A 79 -4.725 -0.410 12.110 1.00 34.32 H new ATOM 1285 N PRO A 80 -0.660 -3.434 11.332 1.00 1.30 N ATOM 1286 CA PRO A 80 -0.039 -4.216 10.278 1.00 33.30 C ATOM 1287 C PRO A 80 -0.713 -3.928 8.927 1.00 33.42 C ATOM 1288 O PRO A 80 -1.950 -3.899 8.843 1.00 41.13 O ATOM 1289 CB PRO A 80 -0.170 -5.672 10.731 1.00 35.45 C ATOM 1290 CG PRO A 80 -1.452 -5.677 11.560 1.00 54.51 C ATOM 1291 CD PRO A 80 -1.473 -4.284 12.191 1.00 52.14 C ATOM 0 HA PRO A 80 1.011 -3.967 10.120 1.00 33.30 H new ATOM 0 HB2 PRO A 80 -0.239 -6.351 9.881 1.00 35.45 H new ATOM 0 HB3 PRO A 80 0.690 -5.987 11.321 1.00 35.45 H new ATOM 0 HG2 PRO A 80 -2.331 -5.850 10.939 1.00 54.51 H new ATOM 0 HG3 PRO A 80 -1.437 -6.461 12.317 1.00 54.51 H new ATOM 0 HD2 PRO A 80 -2.492 -3.904 12.261 1.00 52.14 H new ATOM 0 HD3 PRO A 80 -1.072 -4.310 13.204 1.00 52.14 H new ATOM 1299 N LEU A 81 0.090 -3.735 7.874 1.00 60.02 N ATOM 1300 CA LEU A 81 -0.333 -3.293 6.540 1.00 54.33 C ATOM 1301 C LEU A 81 0.208 -4.238 5.455 1.00 24.05 C ATOM 1302 O LEU A 81 1.152 -4.996 5.695 1.00 3.43 O ATOM 1303 CB LEU A 81 0.140 -1.849 6.225 1.00 33.22 C ATOM 1304 CG LEU A 81 0.381 -0.866 7.395 1.00 62.05 C ATOM 1305 CD1 LEU A 81 1.008 0.420 6.848 1.00 70.55 C ATOM 1306 CD2 LEU A 81 -0.881 -0.445 8.152 1.00 73.02 C ATOM 0 H LEU A 81 1.097 -3.889 7.931 1.00 60.02 H new ATOM 0 HA LEU A 81 -1.423 -3.310 6.540 1.00 54.33 H new ATOM 0 HB2 LEU A 81 1.070 -1.923 5.661 1.00 33.22 H new ATOM 0 HB3 LEU A 81 -0.599 -1.398 5.563 1.00 33.22 H new ATOM 0 HG LEU A 81 1.023 -1.405 8.091 1.00 62.05 H new ATOM 0 HD11 LEU A 81 1.181 1.118 7.667 1.00 70.55 H new ATOM 0 HD12 LEU A 81 1.957 0.185 6.365 1.00 70.55 H new ATOM 0 HD13 LEU A 81 0.333 0.873 6.122 1.00 70.55 H new ATOM 0 HD21 LEU A 81 -0.612 0.244 8.953 1.00 73.02 H new ATOM 0 HD22 LEU A 81 -1.570 0.048 7.466 1.00 73.02 H new ATOM 0 HD23 LEU A 81 -1.361 -1.326 8.577 1.00 73.02 H new ATOM 1318 N VAL A 82 -0.335 -4.142 4.242 1.00 44.43 N ATOM 1319 CA VAL A 82 0.123 -4.818 3.032 1.00 33.13 C ATOM 1320 C VAL A 82 -0.154 -3.872 1.859 1.00 43.44 C ATOM 1321 O VAL A 82 -1.297 -3.477 1.661 1.00 31.51 O ATOM 1322 CB VAL A 82 -0.566 -6.207 2.917 1.00 71.14 C ATOM 1323 CG1 VAL A 82 -2.102 -6.201 3.031 1.00 61.05 C ATOM 1324 CG2 VAL A 82 -0.203 -6.934 1.614 1.00 13.32 C ATOM 0 H VAL A 82 -1.152 -3.557 4.069 1.00 44.43 H new ATOM 0 HA VAL A 82 1.192 -5.031 3.044 1.00 33.13 H new ATOM 0 HB VAL A 82 -0.172 -6.733 3.786 1.00 71.14 H new ATOM 0 HG11 VAL A 82 -2.478 -7.220 2.937 1.00 61.05 H new ATOM 0 HG12 VAL A 82 -2.393 -5.795 4.000 1.00 61.05 H new ATOM 0 HG13 VAL A 82 -2.523 -5.584 2.237 1.00 61.05 H new ATOM 0 HG21 VAL A 82 -0.710 -7.899 1.582 1.00 13.32 H new ATOM 0 HG22 VAL A 82 -0.517 -6.331 0.762 1.00 13.32 H new ATOM 0 HG23 VAL A 82 0.875 -7.089 1.572 1.00 13.32 H new ATOM 1334 N THR A 83 0.859 -3.439 1.101 1.00 15.30 N ATOM 1335 CA THR A 83 0.630 -2.609 -0.089 1.00 55.23 C ATOM 1336 C THR A 83 1.800 -2.735 -1.080 1.00 51.21 C ATOM 1337 O THR A 83 2.686 -3.567 -0.907 1.00 42.45 O ATOM 1338 CB THR A 83 0.290 -1.161 0.339 1.00 52.11 C ATOM 1339 OG1 THR A 83 -0.206 -0.406 -0.753 1.00 72.30 O ATOM 1340 CG2 THR A 83 1.461 -0.431 0.999 1.00 2.25 C ATOM 0 H THR A 83 1.840 -3.647 1.288 1.00 15.30 H new ATOM 0 HA THR A 83 -0.239 -2.969 -0.641 1.00 55.23 H new ATOM 0 HB THR A 83 -0.490 -1.252 1.095 1.00 52.11 H new ATOM 0 HG1 THR A 83 -1.022 0.064 -0.482 1.00 72.30 H new ATOM 0 HG21 THR A 83 1.153 0.578 1.274 1.00 2.25 H new ATOM 0 HG22 THR A 83 1.770 -0.972 1.893 1.00 2.25 H new ATOM 0 HG23 THR A 83 2.296 -0.378 0.301 1.00 2.25 H new ATOM 1348 N MET A 84 1.781 -1.967 -2.169 1.00 64.41 N ATOM 1349 CA MET A 84 2.884 -1.786 -3.115 1.00 55.12 C ATOM 1350 C MET A 84 3.601 -0.473 -2.738 1.00 22.40 C ATOM 1351 O MET A 84 3.037 0.321 -1.978 1.00 44.15 O ATOM 1352 CB MET A 84 2.319 -1.741 -4.549 1.00 4.54 C ATOM 1353 CG MET A 84 1.432 -2.938 -4.927 1.00 14.00 C ATOM 1354 SD MET A 84 -0.296 -2.575 -5.371 1.00 72.12 S ATOM 1355 CE MET A 84 -1.105 -2.273 -3.777 1.00 22.02 C ATOM 0 H MET A 84 0.956 -1.427 -2.429 1.00 64.41 H new ATOM 0 HA MET A 84 3.597 -2.610 -3.072 1.00 55.12 H new ATOM 0 HB2 MET A 84 1.740 -0.825 -4.668 1.00 4.54 H new ATOM 0 HB3 MET A 84 3.151 -1.686 -5.251 1.00 4.54 H new ATOM 0 HG2 MET A 84 1.897 -3.453 -5.768 1.00 14.00 H new ATOM 0 HG3 MET A 84 1.428 -3.635 -4.089 1.00 14.00 H new ATOM 0 HE1 MET A 84 -2.149 -2.583 -3.834 1.00 22.02 H new ATOM 0 HE2 MET A 84 -0.599 -2.844 -2.998 1.00 22.02 H new ATOM 0 HE3 MET A 84 -1.054 -1.211 -3.539 1.00 22.02 H new ATOM 1365 N PRO A 85 4.818 -0.182 -3.225 1.00 2.53 N ATOM 1366 CA PRO A 85 5.530 1.016 -2.810 1.00 12.45 C ATOM 1367 C PRO A 85 4.799 2.251 -3.339 1.00 15.11 C ATOM 1368 O PRO A 85 4.493 2.343 -4.529 1.00 64.53 O ATOM 1369 CB PRO A 85 6.955 0.873 -3.335 1.00 5.05 C ATOM 1370 CG PRO A 85 6.827 -0.077 -4.520 1.00 50.11 C ATOM 1371 CD PRO A 85 5.597 -0.928 -4.195 1.00 44.34 C ATOM 0 HA PRO A 85 5.567 1.138 -1.728 1.00 12.45 H new ATOM 0 HB2 PRO A 85 7.365 1.836 -3.640 1.00 5.05 H new ATOM 0 HB3 PRO A 85 7.621 0.470 -2.572 1.00 5.05 H new ATOM 0 HG2 PRO A 85 6.697 0.469 -5.454 1.00 50.11 H new ATOM 0 HG3 PRO A 85 7.718 -0.694 -4.633 1.00 50.11 H new ATOM 0 HD2 PRO A 85 5.012 -1.122 -5.094 1.00 44.34 H new ATOM 0 HD3 PRO A 85 5.892 -1.897 -3.792 1.00 44.34 H new ATOM 1379 N ILE A 86 4.471 3.161 -2.423 1.00 5.15 N ATOM 1380 CA ILE A 86 3.641 4.340 -2.647 1.00 50.01 C ATOM 1381 C ILE A 86 4.388 5.243 -3.627 1.00 63.34 C ATOM 1382 O ILE A 86 4.024 5.360 -4.799 1.00 22.51 O ATOM 1383 CB ILE A 86 3.334 4.998 -1.273 1.00 11.00 C ATOM 1384 CG1 ILE A 86 2.508 4.010 -0.419 1.00 5.21 C ATOM 1385 CG2 ILE A 86 2.590 6.341 -1.391 1.00 23.04 C ATOM 1386 CD1 ILE A 86 2.375 4.383 1.053 1.00 75.35 C ATOM 0 H ILE A 86 4.794 3.091 -1.458 1.00 5.15 H new ATOM 0 HA ILE A 86 2.674 4.108 -3.092 1.00 50.01 H new ATOM 0 HB ILE A 86 4.289 5.220 -0.798 1.00 11.00 H new ATOM 0 HG12 ILE A 86 1.510 3.929 -0.849 1.00 5.21 H new ATOM 0 HG13 ILE A 86 2.966 3.023 -0.488 1.00 5.21 H new ATOM 0 HG21 ILE A 86 2.408 6.745 -0.395 1.00 23.04 H new ATOM 0 HG22 ILE A 86 3.196 7.044 -1.962 1.00 23.04 H new ATOM 0 HG23 ILE A 86 1.638 6.186 -1.899 1.00 23.04 H new ATOM 0 HD11 ILE A 86 1.779 3.629 1.567 1.00 75.35 H new ATOM 0 HD12 ILE A 86 3.365 4.434 1.506 1.00 75.35 H new ATOM 0 HD13 ILE A 86 1.886 5.353 1.140 1.00 75.35 H new ATOM 1398 N GLY A 87 5.474 5.854 -3.157 1.00 22.22 N ATOM 1399 CA GLY A 87 6.334 6.682 -3.970 1.00 34.13 C ATOM 1400 C GLY A 87 7.116 5.804 -4.938 1.00 4.45 C ATOM 1401 O GLY A 87 8.207 5.365 -4.602 1.00 70.34 O ATOM 0 H GLY A 87 5.777 5.781 -2.186 1.00 22.22 H new ATOM 0 HA2 GLY A 87 5.740 7.410 -4.522 1.00 34.13 H new ATOM 0 HA3 GLY A 87 7.020 7.244 -3.337 1.00 34.13 H new ATOM 1405 N TYR A 88 6.571 5.552 -6.126 1.00 30.21 N ATOM 1406 CA TYR A 88 7.304 5.059 -7.298 1.00 32.40 C ATOM 1407 C TYR A 88 6.765 5.727 -8.571 1.00 24.22 C ATOM 1408 O TYR A 88 7.518 6.108 -9.459 1.00 11.41 O ATOM 1409 CB TYR A 88 7.259 3.519 -7.368 1.00 31.13 C ATOM 1410 CG TYR A 88 8.124 2.948 -8.482 1.00 53.13 C ATOM 1411 CD1 TYR A 88 7.616 2.907 -9.792 1.00 4.13 C ATOM 1412 CD2 TYR A 88 9.457 2.556 -8.247 1.00 62.10 C ATOM 1413 CE1 TYR A 88 8.452 2.599 -10.877 1.00 30.40 C ATOM 1414 CE2 TYR A 88 10.283 2.177 -9.321 1.00 64.22 C ATOM 1415 CZ TYR A 88 9.801 2.260 -10.645 1.00 74.30 C ATOM 1416 OH TYR A 88 10.637 2.039 -11.692 1.00 74.14 O ATOM 0 H TYR A 88 5.577 5.688 -6.309 1.00 30.21 H new ATOM 0 HA TYR A 88 8.356 5.331 -7.207 1.00 32.40 H new ATOM 0 HB2 TYR A 88 7.588 3.108 -6.414 1.00 31.13 H new ATOM 0 HB3 TYR A 88 6.228 3.198 -7.515 1.00 31.13 H new ATOM 0 HD1 TYR A 88 6.571 3.115 -9.966 1.00 4.13 H new ATOM 0 HD2 TYR A 88 9.846 2.546 -7.239 1.00 62.10 H new ATOM 0 HE1 TYR A 88 8.064 2.622 -11.885 1.00 30.40 H new ATOM 0 HE2 TYR A 88 11.286 1.823 -9.132 1.00 64.22 H new ATOM 0 HH TYR A 88 11.531 1.817 -11.356 1.00 74.14 H new ATOM 1426 N VAL A 89 5.458 5.962 -8.631 1.00 25.12 N ATOM 1427 CA VAL A 89 4.727 6.446 -9.806 1.00 51.11 C ATOM 1428 C VAL A 89 4.114 7.810 -9.518 1.00 14.25 C ATOM 1429 O VAL A 89 4.547 8.802 -10.101 1.00 61.34 O ATOM 1430 CB VAL A 89 3.701 5.422 -10.347 1.00 53.35 C ATOM 1431 CG1 VAL A 89 4.313 4.597 -11.485 1.00 33.11 C ATOM 1432 CG2 VAL A 89 3.184 4.471 -9.260 1.00 61.34 C ATOM 0 H VAL A 89 4.848 5.815 -7.827 1.00 25.12 H new ATOM 0 HA VAL A 89 5.445 6.568 -10.617 1.00 51.11 H new ATOM 0 HB VAL A 89 2.854 6.001 -10.716 1.00 53.35 H new ATOM 0 HG11 VAL A 89 3.577 3.882 -11.853 1.00 33.11 H new ATOM 0 HG12 VAL A 89 4.611 5.261 -12.296 1.00 33.11 H new ATOM 0 HG13 VAL A 89 5.187 4.060 -11.116 1.00 33.11 H new ATOM 0 HG21 VAL A 89 2.468 3.775 -9.696 1.00 61.34 H new ATOM 0 HG22 VAL A 89 4.020 3.914 -8.836 1.00 61.34 H new ATOM 0 HG23 VAL A 89 2.697 5.048 -8.474 1.00 61.34 H new ATOM 1442 N THR A 90 3.202 7.875 -8.542 1.00 14.54 N ATOM 1443 CA THR A 90 2.551 9.100 -8.089 1.00 14.12 C ATOM 1444 C THR A 90 3.596 10.214 -7.888 1.00 35.51 C ATOM 1445 O THR A 90 3.438 11.290 -8.466 1.00 62.11 O ATOM 1446 CB THR A 90 1.652 8.758 -6.873 1.00 3.11 C ATOM 1447 OG1 THR A 90 0.934 9.861 -6.371 1.00 41.54 O ATOM 1448 CG2 THR A 90 2.392 8.108 -5.697 1.00 60.12 C ATOM 0 H THR A 90 2.890 7.048 -8.032 1.00 14.54 H new ATOM 0 HA THR A 90 1.877 9.517 -8.837 1.00 14.12 H new ATOM 0 HB THR A 90 0.959 8.031 -7.298 1.00 3.11 H new ATOM 0 HG1 THR A 90 0.272 9.551 -5.718 1.00 41.54 H new ATOM 0 HG21 THR A 90 1.687 7.903 -4.892 1.00 60.12 H new ATOM 0 HG22 THR A 90 2.848 7.174 -6.026 1.00 60.12 H new ATOM 0 HG23 THR A 90 3.168 8.784 -5.337 1.00 60.12 H new ATOM 1456 N HIS A 91 4.703 9.922 -7.190 1.00 43.41 N ATOM 1457 CA HIS A 91 5.788 10.871 -6.944 1.00 31.41 C ATOM 1458 C HIS A 91 6.946 10.763 -7.955 1.00 24.42 C ATOM 1459 O HIS A 91 7.835 11.615 -7.939 1.00 24.52 O ATOM 1460 CB HIS A 91 6.320 10.676 -5.516 1.00 73.54 C ATOM 1461 CG HIS A 91 6.726 11.976 -4.873 1.00 70.40 C ATOM 1462 ND1 HIS A 91 7.775 12.778 -5.258 1.00 21.52 N ATOM 1463 CD2 HIS A 91 6.145 12.549 -3.776 1.00 63.15 C ATOM 1464 CE1 HIS A 91 7.873 13.776 -4.365 1.00 43.21 C ATOM 1465 NE2 HIS A 91 6.896 13.681 -3.444 1.00 31.01 N ATOM 0 H HIS A 91 4.868 9.005 -6.776 1.00 43.41 H new ATOM 0 HA HIS A 91 5.368 11.869 -7.068 1.00 31.41 H new ATOM 0 HB2 HIS A 91 5.553 10.197 -4.908 1.00 73.54 H new ATOM 0 HB3 HIS A 91 7.176 10.002 -5.539 1.00 73.54 H new ATOM 0 HD1 HIS A 91 8.371 12.640 -6.074 1.00 21.52 H new ATOM 0 HD2 HIS A 91 5.266 12.192 -3.260 1.00 63.15 H new ATOM 0 HE1 HIS A 91 8.629 14.547 -4.383 1.00 43.21 H new ATOM 1473 N GLY A 92 6.953 9.746 -8.825 1.00 33.23 N ATOM 1474 CA GLY A 92 7.971 9.555 -9.851 1.00 50.23 C ATOM 1475 C GLY A 92 9.322 9.176 -9.254 1.00 4.21 C ATOM 1476 O GLY A 92 10.332 9.803 -9.581 1.00 52.51 O ATOM 0 H GLY A 92 6.235 9.022 -8.831 1.00 33.23 H new ATOM 0 HA2 GLY A 92 7.648 8.775 -10.541 1.00 50.23 H new ATOM 0 HA3 GLY A 92 8.076 10.471 -10.432 1.00 50.23 H new ATOM 1480 N PHE A 93 9.349 8.169 -8.375 1.00 40.52 N ATOM 1481 CA PHE A 93 10.591 7.737 -7.731 1.00 74.24 C ATOM 1482 C PHE A 93 11.141 6.486 -8.409 1.00 23.25 C ATOM 1483 O PHE A 93 10.377 5.653 -8.890 1.00 12.42 O ATOM 1484 CB PHE A 93 10.336 7.465 -6.248 1.00 24.14 C ATOM 1485 CG PHE A 93 10.117 8.676 -5.365 1.00 51.41 C ATOM 1486 CD1 PHE A 93 10.587 9.953 -5.725 1.00 40.13 C ATOM 1487 CD2 PHE A 93 9.458 8.513 -4.135 1.00 22.50 C ATOM 1488 CE1 PHE A 93 10.381 11.041 -4.875 1.00 44.55 C ATOM 1489 CE2 PHE A 93 9.233 9.610 -3.291 1.00 71.31 C ATOM 1490 CZ PHE A 93 9.693 10.882 -3.660 1.00 64.23 C ATOM 0 H PHE A 93 8.524 7.639 -8.094 1.00 40.52 H new ATOM 0 HA PHE A 93 11.331 8.532 -7.828 1.00 74.24 H new ATOM 0 HB2 PHE A 93 9.461 6.820 -6.165 1.00 24.14 H new ATOM 0 HB3 PHE A 93 11.184 6.904 -5.854 1.00 24.14 H new ATOM 0 HD1 PHE A 93 11.108 10.091 -6.661 1.00 40.13 H new ATOM 0 HD2 PHE A 93 9.121 7.532 -3.836 1.00 22.50 H new ATOM 0 HE1 PHE A 93 10.754 12.015 -5.154 1.00 44.55 H new ATOM 0 HE2 PHE A 93 8.706 9.475 -2.358 1.00 71.31 H new ATOM 0 HZ PHE A 93 9.520 11.732 -3.016 1.00 64.23 H new ATOM 1500 N ASN A 94 12.468 6.325 -8.393 1.00 11.32 N ATOM 1501 CA ASN A 94 13.105 5.066 -8.774 1.00 72.21 C ATOM 1502 C ASN A 94 12.999 4.058 -7.635 1.00 73.02 C ATOM 1503 O ASN A 94 12.617 4.395 -6.514 1.00 61.32 O ATOM 1504 CB ASN A 94 14.586 5.277 -9.146 1.00 31.15 C ATOM 1505 CG ASN A 94 14.769 5.859 -10.541 1.00 55.12 C ATOM 1506 OD1 ASN A 94 15.401 6.895 -10.738 1.00 65.23 O ATOM 1507 ND2 ASN A 94 14.229 5.176 -11.538 1.00 44.40 N ATOM 0 H ASN A 94 13.123 7.057 -8.118 1.00 11.32 H new ATOM 0 HA ASN A 94 12.584 4.680 -9.650 1.00 72.21 H new ATOM 0 HB2 ASN A 94 15.047 5.943 -8.417 1.00 31.15 H new ATOM 0 HB3 ASN A 94 15.110 4.324 -9.084 1.00 31.15 H new ATOM 0 HD21 ASN A 94 14.332 5.506 -12.497 1.00 44.40 H new ATOM 0 HD22 ASN A 94 13.709 4.319 -11.347 1.00 44.40 H new ATOM 1514 N LEU A 95 13.392 2.816 -7.921 1.00 71.12 N ATOM 1515 CA LEU A 95 13.212 1.654 -7.056 1.00 23.53 C ATOM 1516 C LEU A 95 13.904 1.827 -5.699 1.00 42.15 C ATOM 1517 O LEU A 95 13.449 1.275 -4.702 1.00 72.54 O ATOM 1518 CB LEU A 95 13.708 0.395 -7.819 1.00 71.53 C ATOM 1519 CG LEU A 95 13.037 -0.976 -7.559 1.00 24.51 C ATOM 1520 CD1 LEU A 95 13.469 -1.709 -6.285 1.00 60.22 C ATOM 1521 CD2 LEU A 95 11.509 -0.899 -7.603 1.00 20.20 C ATOM 0 H LEU A 95 13.862 2.585 -8.796 1.00 71.12 H new ATOM 0 HA LEU A 95 12.154 1.538 -6.821 1.00 23.53 H new ATOM 0 HB2 LEU A 95 13.618 0.604 -8.885 1.00 71.53 H new ATOM 0 HB3 LEU A 95 14.771 0.283 -7.605 1.00 71.53 H new ATOM 0 HG LEU A 95 13.408 -1.575 -8.391 1.00 24.51 H new ATOM 0 HD11 LEU A 95 12.933 -2.655 -6.210 1.00 60.22 H new ATOM 0 HD12 LEU A 95 14.541 -1.901 -6.322 1.00 60.22 H new ATOM 0 HD13 LEU A 95 13.240 -1.093 -5.415 1.00 60.22 H new ATOM 0 HD21 LEU A 95 11.089 -1.887 -7.414 1.00 20.20 H new ATOM 0 HD22 LEU A 95 11.158 -0.204 -6.840 1.00 20.20 H new ATOM 0 HD23 LEU A 95 11.190 -0.551 -8.586 1.00 20.20 H new ATOM 1533 N GLU A 96 14.981 2.612 -5.651 1.00 31.21 N ATOM 1534 CA GLU A 96 15.768 2.821 -4.447 1.00 73.41 C ATOM 1535 C GLU A 96 15.088 3.859 -3.556 1.00 62.34 C ATOM 1536 O GLU A 96 14.859 3.617 -2.375 1.00 70.13 O ATOM 1537 CB GLU A 96 17.155 3.268 -4.898 1.00 64.52 C ATOM 1538 CG GLU A 96 18.135 3.436 -3.741 1.00 43.01 C ATOM 1539 CD GLU A 96 19.502 3.933 -4.210 1.00 3.42 C ATOM 1540 OE1 GLU A 96 19.931 3.613 -5.347 1.00 10.13 O ATOM 1541 OE2 GLU A 96 20.193 4.560 -3.380 1.00 22.43 O ATOM 0 H GLU A 96 15.331 3.125 -6.460 1.00 31.21 H new ATOM 0 HA GLU A 96 15.853 1.911 -3.853 1.00 73.41 H new ATOM 0 HB2 GLU A 96 17.555 2.538 -5.602 1.00 64.52 H new ATOM 0 HB3 GLU A 96 17.069 4.213 -5.434 1.00 64.52 H new ATOM 0 HG2 GLU A 96 17.723 4.140 -3.017 1.00 43.01 H new ATOM 0 HG3 GLU A 96 18.254 2.483 -3.226 1.00 43.01 H new ATOM 1548 N GLU A 97 14.713 4.995 -4.141 1.00 30.34 N ATOM 1549 CA GLU A 97 13.967 6.069 -3.498 1.00 4.34 C ATOM 1550 C GLU A 97 12.656 5.524 -2.933 1.00 54.22 C ATOM 1551 O GLU A 97 12.306 5.790 -1.782 1.00 41.31 O ATOM 1552 CB GLU A 97 13.699 7.155 -4.546 1.00 42.11 C ATOM 1553 CG GLU A 97 14.965 7.918 -4.936 1.00 24.14 C ATOM 1554 CD GLU A 97 15.337 8.947 -3.865 1.00 34.42 C ATOM 1555 OE1 GLU A 97 14.678 10.003 -3.748 1.00 43.41 O ATOM 1556 OE2 GLU A 97 16.281 8.706 -3.074 1.00 22.14 O ATOM 0 H GLU A 97 14.931 5.198 -5.116 1.00 30.34 H new ATOM 0 HA GLU A 97 14.538 6.491 -2.671 1.00 4.34 H new ATOM 0 HB2 GLU A 97 13.266 6.698 -5.436 1.00 42.11 H new ATOM 0 HB3 GLU A 97 12.961 7.857 -4.157 1.00 42.11 H new ATOM 0 HG2 GLU A 97 15.788 7.217 -5.074 1.00 24.14 H new ATOM 0 HG3 GLU A 97 14.811 8.421 -5.891 1.00 24.14 H new ATOM 1563 N ALA A 98 11.967 4.692 -3.717 1.00 11.53 N ATOM 1564 CA ALA A 98 10.768 3.983 -3.309 1.00 30.13 C ATOM 1565 C ALA A 98 11.000 3.113 -2.072 1.00 72.31 C ATOM 1566 O ALA A 98 10.082 2.922 -1.274 1.00 53.13 O ATOM 1567 CB ALA A 98 10.291 3.124 -4.481 1.00 72.41 C ATOM 0 H ALA A 98 12.241 4.492 -4.679 1.00 11.53 H new ATOM 0 HA ALA A 98 10.008 4.715 -3.036 1.00 30.13 H new ATOM 0 HB1 ALA A 98 9.390 2.583 -4.193 1.00 72.41 H new ATOM 0 HB2 ALA A 98 10.072 3.764 -5.336 1.00 72.41 H new ATOM 0 HB3 ALA A 98 11.071 2.412 -4.751 1.00 72.41 H new ATOM 1573 N ALA A 99 12.202 2.567 -1.895 1.00 43.32 N ATOM 1574 CA ALA A 99 12.583 1.832 -0.701 1.00 31.12 C ATOM 1575 C ALA A 99 12.830 2.798 0.459 1.00 30.01 C ATOM 1576 O ALA A 99 12.312 2.579 1.553 1.00 13.05 O ATOM 1577 CB ALA A 99 13.789 0.934 -1.009 1.00 23.33 C ATOM 0 H ALA A 99 12.946 2.626 -2.590 1.00 43.32 H new ATOM 0 HA ALA A 99 11.770 1.177 -0.388 1.00 31.12 H new ATOM 0 HB1 ALA A 99 14.072 0.384 -0.111 1.00 23.33 H new ATOM 0 HB2 ALA A 99 13.526 0.230 -1.798 1.00 23.33 H new ATOM 0 HB3 ALA A 99 14.627 1.550 -1.337 1.00 23.33 H new ATOM 1583 N ARG A 100 13.569 3.891 0.241 1.00 44.55 N ATOM 1584 CA ARG A 100 13.897 4.854 1.293 1.00 51.41 C ATOM 1585 C ARG A 100 12.659 5.554 1.828 1.00 42.34 C ATOM 1586 O ARG A 100 12.660 5.952 2.993 1.00 1.22 O ATOM 1587 CB ARG A 100 14.895 5.902 0.792 1.00 62.44 C ATOM 1588 CG ARG A 100 16.231 5.259 0.397 1.00 71.44 C ATOM 1589 CD ARG A 100 17.385 6.256 0.450 1.00 72.43 C ATOM 1590 NE ARG A 100 17.646 6.722 1.830 1.00 65.15 N ATOM 1591 CZ ARG A 100 17.912 7.989 2.185 1.00 22.32 C ATOM 1592 NH1 ARG A 100 18.344 8.858 1.276 1.00 13.52 N ATOM 1593 NH2 ARG A 100 17.747 8.386 3.445 1.00 5.41 N ATOM 0 H ARG A 100 13.956 4.131 -0.672 1.00 44.55 H new ATOM 0 HA ARG A 100 14.350 4.284 2.105 1.00 51.41 H new ATOM 0 HB2 ARG A 100 14.474 6.426 -0.066 1.00 62.44 H new ATOM 0 HB3 ARG A 100 15.064 6.647 1.570 1.00 62.44 H new ATOM 0 HG2 ARG A 100 16.443 4.424 1.065 1.00 71.44 H new ATOM 0 HG3 ARG A 100 16.152 4.849 -0.610 1.00 71.44 H new ATOM 0 HD2 ARG A 100 18.285 5.792 0.047 1.00 72.43 H new ATOM 0 HD3 ARG A 100 17.156 7.112 -0.185 1.00 72.43 H new ATOM 0 HE ARG A 100 17.622 6.023 2.573 1.00 65.15 H new ATOM 0 HH11 ARG A 100 18.473 8.562 0.309 1.00 13.52 H new ATOM 0 HH12 ARG A 100 18.546 9.821 1.546 1.00 13.52 H new ATOM 0 HH21 ARG A 100 17.416 7.726 4.149 1.00 5.41 H new ATOM 0 HH22 ARG A 100 17.951 9.350 3.707 1.00 5.41 H new ATOM 1607 N CYS A 101 11.620 5.690 1.009 1.00 63.01 N ATOM 1608 CA CYS A 101 10.294 6.107 1.419 1.00 21.03 C ATOM 1609 C CYS A 101 9.740 5.112 2.433 1.00 74.44 C ATOM 1610 O CYS A 101 9.630 5.432 3.617 1.00 62.52 O ATOM 1611 CB CYS A 101 9.407 6.227 0.177 1.00 51.11 C ATOM 1612 SG CYS A 101 9.954 7.653 -0.778 1.00 43.13 S ATOM 0 H CYS A 101 11.686 5.505 0.008 1.00 63.01 H new ATOM 0 HA CYS A 101 10.325 7.082 1.905 1.00 21.03 H new ATOM 0 HB2 CYS A 101 9.472 5.320 -0.424 1.00 51.11 H new ATOM 0 HB3 CYS A 101 8.363 6.343 0.467 1.00 51.11 H new ATOM 0 HG CYS A 101 9.289 7.709 -1.894 1.00 43.13 H new ATOM 1618 N MET A 102 9.434 3.892 1.979 1.00 43.30 N ATOM 1619 CA MET A 102 8.707 2.913 2.786 1.00 21.14 C ATOM 1620 C MET A 102 9.478 2.557 4.070 1.00 1.23 C ATOM 1621 O MET A 102 8.858 2.340 5.114 1.00 23.34 O ATOM 1622 CB MET A 102 8.389 1.667 1.942 1.00 50.04 C ATOM 1623 CG MET A 102 7.525 1.935 0.692 1.00 5.44 C ATOM 1624 SD MET A 102 5.872 2.648 0.879 1.00 64.54 S ATOM 1625 CE MET A 102 4.934 1.183 1.367 1.00 30.33 C ATOM 0 H MET A 102 9.683 3.559 1.047 1.00 43.30 H new ATOM 0 HA MET A 102 7.763 3.356 3.104 1.00 21.14 H new ATOM 0 HB2 MET A 102 9.327 1.210 1.627 1.00 50.04 H new ATOM 0 HB3 MET A 102 7.876 0.940 2.572 1.00 50.04 H new ATOM 0 HG2 MET A 102 8.093 2.598 0.040 1.00 5.44 H new ATOM 0 HG3 MET A 102 7.413 0.988 0.165 1.00 5.44 H new ATOM 0 HE1 MET A 102 3.890 1.454 1.522 1.00 30.33 H new ATOM 0 HE2 MET A 102 5.001 0.430 0.582 1.00 30.33 H new ATOM 0 HE3 MET A 102 5.345 0.779 2.292 1.00 30.33 H new ATOM 1635 N ARG A 103 10.818 2.596 4.037 1.00 20.12 N ATOM 1636 CA ARG A 103 11.708 2.404 5.186 1.00 71.23 C ATOM 1637 C ARG A 103 11.320 3.272 6.381 1.00 5.13 C ATOM 1638 O ARG A 103 11.403 2.813 7.527 1.00 44.00 O ATOM 1639 CB ARG A 103 13.147 2.740 4.753 1.00 74.41 C ATOM 1640 CG ARG A 103 14.188 2.395 5.823 1.00 54.21 C ATOM 1641 CD ARG A 103 15.604 2.762 5.372 1.00 23.14 C ATOM 1642 NE ARG A 103 16.551 2.489 6.459 1.00 25.21 N ATOM 1643 CZ ARG A 103 17.689 3.138 6.725 1.00 63.01 C ATOM 1644 NH1 ARG A 103 18.228 4.005 5.872 1.00 22.22 N ATOM 1645 NH2 ARG A 103 18.303 2.908 7.873 1.00 25.31 N ATOM 0 H ARG A 103 11.330 2.770 3.172 1.00 20.12 H new ATOM 0 HA ARG A 103 11.625 1.365 5.506 1.00 71.23 H new ATOM 0 HB2 ARG A 103 13.381 2.197 3.837 1.00 74.41 H new ATOM 0 HB3 ARG A 103 13.212 3.803 4.520 1.00 74.41 H new ATOM 0 HG2 ARG A 103 13.951 2.924 6.746 1.00 54.21 H new ATOM 0 HG3 ARG A 103 14.142 1.329 6.046 1.00 54.21 H new ATOM 0 HD2 ARG A 103 15.875 2.187 4.486 1.00 23.14 H new ATOM 0 HD3 ARG A 103 15.647 3.815 5.094 1.00 23.14 H new ATOM 0 HE ARG A 103 16.314 1.717 7.082 1.00 25.21 H new ATOM 0 HH11 ARG A 103 17.771 4.194 4.980 1.00 22.22 H new ATOM 0 HH12 ARG A 103 19.098 4.481 6.110 1.00 22.22 H new ATOM 0 HH21 ARG A 103 17.907 2.244 8.539 1.00 25.31 H new ATOM 0 HH22 ARG A 103 19.172 3.394 8.093 1.00 25.31 H new ATOM 1659 N SER A 104 10.947 4.530 6.143 1.00 13.24 N ATOM 1660 CA SER A 104 10.690 5.504 7.198 1.00 23.32 C ATOM 1661 C SER A 104 9.486 5.129 8.071 1.00 3.31 C ATOM 1662 O SER A 104 9.338 5.674 9.170 1.00 24.45 O ATOM 1663 CB SER A 104 10.543 6.889 6.568 1.00 35.41 C ATOM 1664 OG SER A 104 11.777 7.218 5.957 1.00 3.23 O ATOM 0 H SER A 104 10.814 4.902 5.203 1.00 13.24 H new ATOM 0 HA SER A 104 11.540 5.511 7.881 1.00 23.32 H new ATOM 0 HB2 SER A 104 9.739 6.891 5.832 1.00 35.41 H new ATOM 0 HB3 SER A 104 10.283 7.628 7.326 1.00 35.41 H new ATOM 0 HG SER A 104 11.711 8.103 5.542 1.00 3.23 H new ATOM 1670 N LEU A 105 8.638 4.197 7.630 1.00 75.54 N ATOM 1671 CA LEU A 105 7.491 3.752 8.392 1.00 72.04 C ATOM 1672 C LEU A 105 7.920 2.812 9.515 1.00 74.30 C ATOM 1673 O LEU A 105 8.602 1.818 9.265 1.00 43.35 O ATOM 1674 CB LEU A 105 6.526 3.042 7.437 1.00 22.24 C ATOM 1675 CG LEU A 105 5.211 2.677 8.128 1.00 4.02 C ATOM 1676 CD1 LEU A 105 4.409 3.927 8.463 1.00 4.41 C ATOM 1677 CD2 LEU A 105 4.362 1.799 7.223 1.00 3.13 C ATOM 0 H LEU A 105 8.737 3.733 6.727 1.00 75.54 H new ATOM 0 HA LEU A 105 6.998 4.609 8.852 1.00 72.04 H new ATOM 0 HB2 LEU A 105 6.321 3.686 6.582 1.00 22.24 H new ATOM 0 HB3 LEU A 105 6.997 2.138 7.050 1.00 22.24 H new ATOM 0 HG LEU A 105 5.461 2.143 9.045 1.00 4.02 H new ATOM 0 HD11 LEU A 105 3.478 3.642 8.954 1.00 4.41 H new ATOM 0 HD12 LEU A 105 4.990 4.564 9.130 1.00 4.41 H new ATOM 0 HD13 LEU A 105 4.184 4.471 7.546 1.00 4.41 H new ATOM 0 HD21 LEU A 105 3.430 1.548 7.730 1.00 3.13 H new ATOM 0 HD22 LEU A 105 4.141 2.335 6.300 1.00 3.13 H new ATOM 0 HD23 LEU A 105 4.906 0.884 6.990 1.00 3.13 H new ATOM 1689 N LYS A 106 7.477 3.086 10.743 1.00 41.14 N ATOM 1690 CA LYS A 106 7.633 2.182 11.877 1.00 1.02 C ATOM 1691 C LYS A 106 6.747 0.950 11.723 1.00 70.25 C ATOM 1692 O LYS A 106 7.243 -0.163 11.879 1.00 70.45 O ATOM 1693 CB LYS A 106 7.285 2.889 13.192 1.00 64.25 C ATOM 1694 CG LYS A 106 8.180 4.106 13.465 1.00 2.21 C ATOM 1695 CD LYS A 106 8.308 4.312 14.972 1.00 12.13 C ATOM 1696 CE LYS A 106 9.403 5.327 15.306 1.00 30.23 C ATOM 1697 NZ LYS A 106 9.468 5.549 16.762 1.00 51.22 N ATOM 0 H LYS A 106 6.994 3.953 10.978 1.00 41.14 H new ATOM 0 HA LYS A 106 8.677 1.870 11.901 1.00 1.02 H new ATOM 0 HB2 LYS A 106 6.243 3.208 13.163 1.00 64.25 H new ATOM 0 HB3 LYS A 106 7.379 2.182 14.016 1.00 64.25 H new ATOM 0 HG2 LYS A 106 9.164 3.954 13.023 1.00 2.21 H new ATOM 0 HG3 LYS A 106 7.755 4.996 13.000 1.00 2.21 H new ATOM 0 HD2 LYS A 106 7.356 4.656 15.376 1.00 12.13 H new ATOM 0 HD3 LYS A 106 8.533 3.360 15.453 1.00 12.13 H new ATOM 0 HE2 LYS A 106 10.365 4.967 14.943 1.00 30.23 H new ATOM 0 HE3 LYS A 106 9.203 6.269 14.796 1.00 30.23 H new ATOM 0 HZ1 LYS A 106 10.215 6.240 16.975 1.00 51.22 H new ATOM 0 HZ2 LYS A 106 8.554 5.913 17.099 1.00 51.22 H new ATOM 0 HZ3 LYS A 106 9.681 4.651 17.241 1.00 51.22 H new ATOM 1711 N ALA A 107 5.451 1.158 11.467 1.00 62.43 N ATOM 1712 CA ALA A 107 4.425 0.119 11.486 1.00 11.42 C ATOM 1713 C ALA A 107 4.774 -1.038 10.527 1.00 11.12 C ATOM 1714 O ALA A 107 5.360 -0.775 9.471 1.00 53.20 O ATOM 1715 CB ALA A 107 3.078 0.762 11.131 1.00 65.12 C ATOM 0 H ALA A 107 5.081 2.080 11.235 1.00 62.43 H new ATOM 0 HA ALA A 107 4.367 -0.319 12.482 1.00 11.42 H new ATOM 0 HB1 ALA A 107 2.298 0.001 11.140 1.00 65.12 H new ATOM 0 HB2 ALA A 107 2.840 1.535 11.862 1.00 65.12 H new ATOM 0 HB3 ALA A 107 3.138 1.208 10.138 1.00 65.12 H new ATOM 1721 N PRO A 108 4.439 -2.297 10.867 1.00 35.53 N ATOM 1722 CA PRO A 108 4.863 -3.468 10.108 1.00 73.40 C ATOM 1723 C PRO A 108 4.043 -3.557 8.820 1.00 15.22 C ATOM 1724 O PRO A 108 2.813 -3.603 8.865 1.00 31.44 O ATOM 1725 CB PRO A 108 4.652 -4.658 11.046 1.00 63.32 C ATOM 1726 CG PRO A 108 3.529 -4.220 11.980 1.00 13.21 C ATOM 1727 CD PRO A 108 3.649 -2.697 12.027 1.00 3.30 C ATOM 0 HA PRO A 108 5.906 -3.432 9.793 1.00 73.40 H new ATOM 0 HB2 PRO A 108 4.378 -5.556 10.492 1.00 63.32 H new ATOM 0 HB3 PRO A 108 5.561 -4.891 11.601 1.00 63.32 H new ATOM 0 HG2 PRO A 108 2.554 -4.531 11.603 1.00 13.21 H new ATOM 0 HG3 PRO A 108 3.642 -4.659 12.971 1.00 13.21 H new ATOM 0 HD2 PRO A 108 2.664 -2.231 12.002 1.00 3.30 H new ATOM 0 HD3 PRO A 108 4.130 -2.376 12.951 1.00 3.30 H new ATOM 1735 N ALA A 109 4.692 -3.501 7.662 1.00 41.34 N ATOM 1736 CA ALA A 109 4.026 -3.145 6.425 1.00 55.43 C ATOM 1737 C ALA A 109 4.629 -3.924 5.269 1.00 74.20 C ATOM 1738 O ALA A 109 5.699 -3.584 4.767 1.00 52.04 O ATOM 1739 CB ALA A 109 4.110 -1.629 6.276 1.00 44.34 C ATOM 0 H ALA A 109 5.687 -3.700 7.560 1.00 41.34 H new ATOM 0 HA ALA A 109 2.971 -3.417 6.431 1.00 55.43 H new ATOM 0 HB1 ALA A 109 3.617 -1.326 5.352 1.00 44.34 H new ATOM 0 HB2 ALA A 109 3.617 -1.152 7.123 1.00 44.34 H new ATOM 0 HB3 ALA A 109 5.156 -1.324 6.246 1.00 44.34 H new ATOM 1745 N VAL A 110 3.954 -4.990 4.842 1.00 3.42 N ATOM 1746 CA VAL A 110 4.382 -5.796 3.707 1.00 51.41 C ATOM 1747 C VAL A 110 4.380 -4.874 2.478 1.00 52.10 C ATOM 1748 O VAL A 110 3.517 -4.000 2.345 1.00 13.32 O ATOM 1749 CB VAL A 110 3.465 -7.033 3.586 1.00 74.25 C ATOM 1750 CG1 VAL A 110 3.812 -7.936 2.393 1.00 52.02 C ATOM 1751 CG2 VAL A 110 3.604 -7.857 4.875 1.00 60.34 C ATOM 0 H VAL A 110 3.092 -5.318 5.277 1.00 3.42 H new ATOM 0 HA VAL A 110 5.390 -6.196 3.819 1.00 51.41 H new ATOM 0 HB VAL A 110 2.449 -6.672 3.429 1.00 74.25 H new ATOM 0 HG11 VAL A 110 3.129 -8.785 2.368 1.00 52.02 H new ATOM 0 HG12 VAL A 110 3.718 -7.368 1.467 1.00 52.02 H new ATOM 0 HG13 VAL A 110 4.835 -8.297 2.495 1.00 52.02 H new ATOM 0 HG21 VAL A 110 2.965 -8.738 4.814 1.00 60.34 H new ATOM 0 HG22 VAL A 110 4.641 -8.169 4.997 1.00 60.34 H new ATOM 0 HG23 VAL A 110 3.305 -7.250 5.729 1.00 60.34 H new ATOM 1761 N VAL A 111 5.362 -5.050 1.600 1.00 23.10 N ATOM 1762 CA VAL A 111 5.498 -4.341 0.334 1.00 60.13 C ATOM 1763 C VAL A 111 5.498 -5.422 -0.745 1.00 22.22 C ATOM 1764 O VAL A 111 5.984 -6.522 -0.484 1.00 63.30 O ATOM 1765 CB VAL A 111 6.776 -3.474 0.335 1.00 14.41 C ATOM 1766 CG1 VAL A 111 6.976 -2.720 -0.990 1.00 35.35 C ATOM 1767 CG2 VAL A 111 6.722 -2.430 1.457 1.00 15.21 C ATOM 0 H VAL A 111 6.116 -5.719 1.758 1.00 23.10 H new ATOM 0 HA VAL A 111 4.684 -3.639 0.153 1.00 60.13 H new ATOM 0 HB VAL A 111 7.606 -4.165 0.483 1.00 14.41 H new ATOM 0 HG11 VAL A 111 7.888 -2.126 -0.936 1.00 35.35 H new ATOM 0 HG12 VAL A 111 7.057 -3.436 -1.808 1.00 35.35 H new ATOM 0 HG13 VAL A 111 6.125 -2.063 -1.167 1.00 35.35 H new ATOM 0 HG21 VAL A 111 7.632 -1.830 1.440 1.00 15.21 H new ATOM 0 HG22 VAL A 111 5.858 -1.783 1.310 1.00 15.21 H new ATOM 0 HG23 VAL A 111 6.638 -2.934 2.420 1.00 15.21 H new ATOM 1777 N SER A 112 5.002 -5.140 -1.945 1.00 23.34 N ATOM 1778 CA SER A 112 5.052 -6.071 -3.057 1.00 42.20 C ATOM 1779 C SER A 112 5.630 -5.365 -4.274 1.00 70.11 C ATOM 1780 O SER A 112 5.409 -4.168 -4.466 1.00 24.10 O ATOM 1781 CB SER A 112 3.659 -6.656 -3.282 1.00 41.22 C ATOM 1782 OG SER A 112 3.641 -7.603 -4.329 1.00 54.21 O ATOM 0 H SER A 112 4.552 -4.253 -2.171 1.00 23.34 H new ATOM 0 HA SER A 112 5.712 -6.913 -2.846 1.00 42.20 H new ATOM 0 HB2 SER A 112 3.312 -7.127 -2.362 1.00 41.22 H new ATOM 0 HB3 SER A 112 2.961 -5.851 -3.511 1.00 41.22 H new ATOM 0 HG SER A 112 2.736 -7.664 -4.699 1.00 54.21 H new ATOM 1788 N VAL A 113 6.355 -6.129 -5.087 1.00 73.05 N ATOM 1789 CA VAL A 113 7.024 -5.688 -6.303 1.00 34.52 C ATOM 1790 C VAL A 113 6.645 -6.597 -7.477 1.00 22.30 C ATOM 1791 O VAL A 113 5.853 -7.534 -7.318 1.00 43.22 O ATOM 1792 CB VAL A 113 8.546 -5.637 -6.086 1.00 2.23 C ATOM 1793 CG1 VAL A 113 8.955 -4.474 -5.169 1.00 40.03 C ATOM 1794 CG2 VAL A 113 9.110 -6.936 -5.494 1.00 70.51 C ATOM 0 H VAL A 113 6.498 -7.122 -4.904 1.00 73.05 H new ATOM 0 HA VAL A 113 6.693 -4.679 -6.549 1.00 34.52 H new ATOM 0 HB VAL A 113 8.967 -5.492 -7.081 1.00 2.23 H new ATOM 0 HG11 VAL A 113 10.038 -4.474 -5.042 1.00 40.03 H new ATOM 0 HG12 VAL A 113 8.642 -3.531 -5.616 1.00 40.03 H new ATOM 0 HG13 VAL A 113 8.476 -4.591 -4.197 1.00 40.03 H new ATOM 0 HG21 VAL A 113 10.188 -6.839 -5.364 1.00 70.51 H new ATOM 0 HG22 VAL A 113 8.644 -7.128 -4.528 1.00 70.51 H new ATOM 0 HG23 VAL A 113 8.899 -7.765 -6.169 1.00 70.51 H new ATOM 1804 N SER A 114 7.184 -6.308 -8.666 1.00 23.32 N ATOM 1805 CA SER A 114 6.795 -6.982 -9.891 1.00 64.42 C ATOM 1806 C SER A 114 7.389 -8.394 -10.007 1.00 25.25 C ATOM 1807 O SER A 114 6.831 -9.218 -10.731 1.00 60.32 O ATOM 1808 CB SER A 114 7.174 -6.107 -11.104 1.00 4.51 C ATOM 1809 OG SER A 114 6.283 -6.269 -12.197 1.00 63.11 O ATOM 0 H SER A 114 7.903 -5.597 -8.797 1.00 23.32 H new ATOM 0 HA SER A 114 5.714 -7.117 -9.870 1.00 64.42 H new ATOM 0 HB2 SER A 114 7.185 -5.060 -10.802 1.00 4.51 H new ATOM 0 HB3 SER A 114 8.185 -6.357 -11.425 1.00 4.51 H new ATOM 0 HG SER A 114 6.566 -5.693 -12.938 1.00 63.11 H new ATOM 1815 N SER A 115 8.520 -8.686 -9.350 1.00 53.24 N ATOM 1816 CA SER A 115 9.337 -9.867 -9.637 1.00 14.23 C ATOM 1817 C SER A 115 9.923 -10.439 -8.340 1.00 4.20 C ATOM 1818 O SER A 115 10.161 -9.668 -7.411 1.00 0.41 O ATOM 1819 CB SER A 115 10.481 -9.464 -10.580 1.00 34.43 C ATOM 1820 OG SER A 115 10.061 -8.601 -11.622 1.00 33.11 O ATOM 0 H SER A 115 8.894 -8.104 -8.600 1.00 53.24 H new ATOM 0 HA SER A 115 8.714 -10.629 -10.105 1.00 14.23 H new ATOM 0 HB2 SER A 115 11.265 -8.973 -10.003 1.00 34.43 H new ATOM 0 HB3 SER A 115 10.920 -10.362 -11.014 1.00 34.43 H new ATOM 0 HG SER A 115 10.828 -8.376 -12.189 1.00 33.11 H new ATOM 1826 N PRO A 116 10.214 -11.750 -8.257 1.00 12.32 N ATOM 1827 CA PRO A 116 10.651 -12.387 -7.019 1.00 24.45 C ATOM 1828 C PRO A 116 12.061 -11.974 -6.604 1.00 12.31 C ATOM 1829 O PRO A 116 12.335 -11.847 -5.415 1.00 32.34 O ATOM 1830 CB PRO A 116 10.559 -13.892 -7.266 1.00 23.22 C ATOM 1831 CG PRO A 116 10.717 -14.011 -8.776 1.00 24.32 C ATOM 1832 CD PRO A 116 10.037 -12.748 -9.298 1.00 4.30 C ATOM 0 HA PRO A 116 10.017 -12.075 -6.189 1.00 24.45 H new ATOM 0 HB2 PRO A 116 11.341 -14.435 -6.736 1.00 23.22 H new ATOM 0 HB3 PRO A 116 9.605 -14.297 -6.928 1.00 23.22 H new ATOM 0 HG2 PRO A 116 11.766 -14.054 -9.069 1.00 24.32 H new ATOM 0 HG3 PRO A 116 10.241 -14.913 -9.161 1.00 24.32 H new ATOM 0 HD2 PRO A 116 10.486 -12.420 -10.236 1.00 4.30 H new ATOM 0 HD3 PRO A 116 8.980 -12.925 -9.495 1.00 4.30 H new ATOM 1840 N ASP A 117 12.969 -11.725 -7.546 1.00 15.41 N ATOM 1841 CA ASP A 117 14.329 -11.294 -7.205 1.00 12.44 C ATOM 1842 C ASP A 117 14.282 -9.902 -6.575 1.00 40.10 C ATOM 1843 O ASP A 117 15.028 -9.606 -5.640 1.00 64.02 O ATOM 1844 CB ASP A 117 15.248 -11.258 -8.432 1.00 23.44 C ATOM 1845 CG ASP A 117 15.162 -12.519 -9.279 1.00 24.11 C ATOM 1846 OD1 ASP A 117 15.673 -13.581 -8.856 1.00 10.34 O ATOM 1847 OD2 ASP A 117 14.548 -12.456 -10.368 1.00 25.23 O ATOM 0 H ASP A 117 12.792 -11.813 -8.547 1.00 15.41 H new ATOM 0 HA ASP A 117 14.736 -12.020 -6.501 1.00 12.44 H new ATOM 0 HB2 ASP A 117 14.989 -10.396 -9.047 1.00 23.44 H new ATOM 0 HB3 ASP A 117 16.278 -11.118 -8.103 1.00 23.44 H new ATOM 1852 N ALA A 118 13.356 -9.067 -7.067 1.00 60.34 N ATOM 1853 CA ALA A 118 13.249 -7.661 -6.712 1.00 71.53 C ATOM 1854 C ALA A 118 12.855 -7.490 -5.248 1.00 23.24 C ATOM 1855 O ALA A 118 13.115 -6.442 -4.669 1.00 3.51 O ATOM 1856 CB ALA A 118 12.247 -6.948 -7.627 1.00 5.30 C ATOM 0 H ALA A 118 12.648 -9.366 -7.738 1.00 60.34 H new ATOM 0 HA ALA A 118 14.229 -7.205 -6.851 1.00 71.53 H new ATOM 0 HB1 ALA A 118 12.181 -5.897 -7.345 1.00 5.30 H new ATOM 0 HB2 ALA A 118 12.580 -7.026 -8.662 1.00 5.30 H new ATOM 0 HB3 ALA A 118 11.266 -7.413 -7.525 1.00 5.30 H new ATOM 1862 N VAL A 119 12.247 -8.515 -4.652 1.00 33.45 N ATOM 1863 CA VAL A 119 11.883 -8.584 -3.247 1.00 73.41 C ATOM 1864 C VAL A 119 13.159 -8.358 -2.430 1.00 11.24 C ATOM 1865 O VAL A 119 13.220 -7.436 -1.616 1.00 42.20 O ATOM 1866 CB VAL A 119 11.205 -9.952 -2.989 1.00 11.05 C ATOM 1867 CG1 VAL A 119 10.565 -10.067 -1.595 1.00 20.54 C ATOM 1868 CG2 VAL A 119 10.062 -10.203 -3.983 1.00 51.41 C ATOM 0 H VAL A 119 11.985 -9.357 -5.164 1.00 33.45 H new ATOM 0 HA VAL A 119 11.166 -7.819 -2.950 1.00 73.41 H new ATOM 0 HB VAL A 119 12.014 -10.675 -3.092 1.00 11.05 H new ATOM 0 HG11 VAL A 119 10.109 -11.051 -1.484 1.00 20.54 H new ATOM 0 HG12 VAL A 119 11.331 -9.934 -0.831 1.00 20.54 H new ATOM 0 HG13 VAL A 119 9.801 -9.298 -1.481 1.00 20.54 H new ATOM 0 HG21 VAL A 119 9.606 -11.171 -3.776 1.00 51.41 H new ATOM 0 HG22 VAL A 119 9.312 -9.419 -3.880 1.00 51.41 H new ATOM 0 HG23 VAL A 119 10.456 -10.197 -4.999 1.00 51.41 H new ATOM 1878 N THR A 120 14.201 -9.146 -2.690 1.00 63.41 N ATOM 1879 CA THR A 120 15.487 -9.036 -2.020 1.00 41.35 C ATOM 1880 C THR A 120 16.234 -7.760 -2.449 1.00 1.13 C ATOM 1881 O THR A 120 16.823 -7.101 -1.587 1.00 23.32 O ATOM 1882 CB THR A 120 16.285 -10.320 -2.298 1.00 14.31 C ATOM 1883 OG1 THR A 120 15.493 -11.460 -1.996 1.00 52.33 O ATOM 1884 CG2 THR A 120 17.542 -10.401 -1.432 1.00 31.42 C ATOM 0 H THR A 120 14.170 -9.891 -3.386 1.00 63.41 H new ATOM 0 HA THR A 120 15.347 -8.940 -0.943 1.00 41.35 H new ATOM 0 HB THR A 120 16.564 -10.298 -3.351 1.00 14.31 H new ATOM 0 HG1 THR A 120 16.008 -12.274 -2.178 1.00 52.33 H new ATOM 0 HG21 THR A 120 18.080 -11.322 -1.657 1.00 31.42 H new ATOM 0 HG22 THR A 120 18.184 -9.545 -1.642 1.00 31.42 H new ATOM 0 HG23 THR A 120 17.260 -10.393 -0.379 1.00 31.42 H new ATOM 1892 N THR A 121 16.191 -7.383 -3.735 1.00 70.22 N ATOM 1893 CA THR A 121 16.825 -6.171 -4.259 1.00 33.00 C ATOM 1894 C THR A 121 16.349 -4.936 -3.490 1.00 43.12 C ATOM 1895 O THR A 121 17.170 -4.193 -2.951 1.00 2.41 O ATOM 1896 CB THR A 121 16.495 -6.030 -5.755 1.00 30.33 C ATOM 1897 OG1 THR A 121 16.797 -7.223 -6.452 1.00 71.32 O ATOM 1898 CG2 THR A 121 17.180 -4.853 -6.451 1.00 42.43 C ATOM 0 H THR A 121 15.705 -7.924 -4.451 1.00 70.22 H new ATOM 0 HA THR A 121 17.905 -6.251 -4.132 1.00 33.00 H new ATOM 0 HB THR A 121 15.424 -5.828 -5.785 1.00 30.33 H new ATOM 0 HG1 THR A 121 16.578 -7.112 -7.401 1.00 71.32 H new ATOM 0 HG21 THR A 121 16.889 -4.832 -7.501 1.00 42.43 H new ATOM 0 HG22 THR A 121 16.878 -3.921 -5.972 1.00 42.43 H new ATOM 0 HG23 THR A 121 18.262 -4.965 -6.376 1.00 42.43 H new ATOM 1906 N TYR A 122 15.029 -4.736 -3.432 1.00 22.13 N ATOM 1907 CA TYR A 122 14.375 -3.640 -2.735 1.00 21.11 C ATOM 1908 C TYR A 122 14.791 -3.654 -1.264 1.00 22.15 C ATOM 1909 O TYR A 122 15.079 -2.602 -0.691 1.00 70.12 O ATOM 1910 CB TYR A 122 12.856 -3.809 -2.914 1.00 53.33 C ATOM 1911 CG TYR A 122 11.988 -2.698 -2.356 1.00 31.32 C ATOM 1912 CD1 TYR A 122 11.698 -2.647 -0.980 1.00 33.33 C ATOM 1913 CD2 TYR A 122 11.425 -1.740 -3.220 1.00 5.32 C ATOM 1914 CE1 TYR A 122 10.848 -1.656 -0.468 1.00 1.01 C ATOM 1915 CE2 TYR A 122 10.596 -0.726 -2.716 1.00 74.43 C ATOM 1916 CZ TYR A 122 10.299 -0.692 -1.338 1.00 62.14 C ATOM 1917 OH TYR A 122 9.491 0.271 -0.835 1.00 23.41 O ATOM 0 H TYR A 122 14.366 -5.362 -3.890 1.00 22.13 H new ATOM 0 HA TYR A 122 14.669 -2.672 -3.142 1.00 21.11 H new ATOM 0 HB2 TYR A 122 12.645 -3.906 -3.979 1.00 53.33 H new ATOM 0 HB3 TYR A 122 12.558 -4.746 -2.443 1.00 53.33 H new ATOM 0 HD1 TYR A 122 12.133 -3.377 -0.313 1.00 33.33 H new ATOM 0 HD2 TYR A 122 11.633 -1.786 -4.279 1.00 5.32 H new ATOM 0 HE1 TYR A 122 10.615 -1.631 0.586 1.00 1.01 H new ATOM 0 HE2 TYR A 122 10.188 0.023 -3.379 1.00 74.43 H new ATOM 0 HH TYR A 122 9.776 1.146 -1.171 1.00 23.41 H new ATOM 1927 N ASN A 123 14.881 -4.848 -0.658 1.00 53.23 N ATOM 1928 CA ASN A 123 15.188 -4.947 0.768 1.00 31.35 C ATOM 1929 C ASN A 123 16.603 -4.430 1.025 1.00 32.31 C ATOM 1930 O ASN A 123 16.860 -3.780 2.036 1.00 44.23 O ATOM 1931 CB ASN A 123 15.020 -6.365 1.359 1.00 41.52 C ATOM 1932 CG ASN A 123 14.065 -6.333 2.556 1.00 2.23 C ATOM 1933 OD1 ASN A 123 14.200 -5.508 3.461 1.00 23.03 O ATOM 1934 ND2 ASN A 123 13.007 -7.139 2.546 1.00 43.03 N ATOM 0 H ASN A 123 14.747 -5.743 -1.129 1.00 53.23 H new ATOM 0 HA ASN A 123 14.453 -4.328 1.282 1.00 31.35 H new ATOM 0 HB2 ASN A 123 14.635 -7.041 0.596 1.00 41.52 H new ATOM 0 HB3 ASN A 123 15.990 -6.754 1.669 1.00 41.52 H new ATOM 0 HD21 ASN A 123 12.309 -7.073 3.287 1.00 43.03 H new ATOM 0 HD22 ASN A 123 12.894 -7.823 1.797 1.00 43.03 H new ATOM 1941 N GLY A 124 17.516 -4.683 0.084 1.00 25.03 N ATOM 1942 CA GLY A 124 18.888 -4.207 0.127 1.00 25.41 C ATOM 1943 C GLY A 124 19.044 -2.745 -0.304 1.00 61.33 C ATOM 1944 O GLY A 124 20.165 -2.244 -0.283 1.00 64.33 O ATOM 0 H GLY A 124 17.310 -5.239 -0.746 1.00 25.03 H new ATOM 0 HA2 GLY A 124 19.272 -4.321 1.141 1.00 25.41 H new ATOM 0 HA3 GLY A 124 19.502 -4.835 -0.519 1.00 25.41 H new ATOM 1948 N TYR A 125 17.979 -2.037 -0.693 1.00 63.35 N ATOM 1949 CA TYR A 125 18.026 -0.580 -0.797 1.00 52.24 C ATOM 1950 C TYR A 125 17.512 0.093 0.475 1.00 63.04 C ATOM 1951 O TYR A 125 17.641 1.310 0.617 1.00 52.11 O ATOM 1952 CB TYR A 125 17.170 -0.093 -1.977 1.00 23.43 C ATOM 1953 CG TYR A 125 17.628 -0.415 -3.387 1.00 1.41 C ATOM 1954 CD1 TYR A 125 18.981 -0.290 -3.763 1.00 34.21 C ATOM 1955 CD2 TYR A 125 16.657 -0.703 -4.363 1.00 63.31 C ATOM 1956 CE1 TYR A 125 19.364 -0.439 -5.109 1.00 14.24 C ATOM 1957 CE2 TYR A 125 17.036 -0.861 -5.705 1.00 51.31 C ATOM 1958 CZ TYR A 125 18.384 -0.717 -6.087 1.00 52.52 C ATOM 1959 OH TYR A 125 18.701 -0.818 -7.406 1.00 72.12 O ATOM 0 H TYR A 125 17.079 -2.449 -0.939 1.00 63.35 H new ATOM 0 HA TYR A 125 19.071 -0.309 -0.950 1.00 52.24 H new ATOM 0 HB2 TYR A 125 16.169 -0.505 -1.852 1.00 23.43 H new ATOM 0 HB3 TYR A 125 17.081 0.990 -1.897 1.00 23.43 H new ATOM 0 HD1 TYR A 125 19.729 -0.078 -3.013 1.00 34.21 H new ATOM 0 HD2 TYR A 125 15.620 -0.803 -4.080 1.00 63.31 H new ATOM 0 HE1 TYR A 125 20.402 -0.341 -5.392 1.00 14.24 H new ATOM 0 HE2 TYR A 125 16.289 -1.094 -6.450 1.00 51.31 H new ATOM 0 HH TYR A 125 17.892 -1.015 -7.923 1.00 72.12 H new ATOM 1969 N LEU A 126 16.929 -0.673 1.402 1.00 44.02 N ATOM 1970 CA LEU A 126 16.654 -0.169 2.740 1.00 13.55 C ATOM 1971 C LEU A 126 17.995 0.153 3.381 1.00 42.21 C ATOM 1972 O LEU A 126 18.214 1.252 3.894 1.00 32.11 O ATOM 1973 CB LEU A 126 15.846 -1.168 3.580 1.00 33.34 C ATOM 1974 CG LEU A 126 14.496 -1.575 2.959 1.00 70.53 C ATOM 1975 CD1 LEU A 126 13.532 -1.968 4.061 1.00 20.33 C ATOM 1976 CD2 LEU A 126 13.804 -0.451 2.202 1.00 30.54 C ATOM 0 H LEU A 126 16.642 -1.639 1.246 1.00 44.02 H new ATOM 0 HA LEU A 126 16.034 0.726 2.683 1.00 13.55 H new ATOM 0 HB2 LEU A 126 16.447 -2.065 3.734 1.00 33.34 H new ATOM 0 HB3 LEU A 126 15.664 -0.734 4.563 1.00 33.34 H new ATOM 0 HG LEU A 126 14.730 -2.386 2.269 1.00 70.53 H new ATOM 0 HD11 LEU A 126 12.576 -2.256 3.623 1.00 20.33 H new ATOM 0 HD12 LEU A 126 13.943 -2.808 4.621 1.00 20.33 H new ATOM 0 HD13 LEU A 126 13.383 -1.123 4.733 1.00 20.33 H new ATOM 0 HD21 LEU A 126 12.861 -0.814 1.794 1.00 30.54 H new ATOM 0 HD22 LEU A 126 13.610 0.379 2.881 1.00 30.54 H new ATOM 0 HD23 LEU A 126 14.445 -0.112 1.388 1.00 30.54 H new