USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 802 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 43 THR OG1 : rot -121:sc= 0.32 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.282 USER MOD Set 2.1: A 9 SER OG : rot -19:sc= 0.305! USER MOD Set 2.2: A 51 LYS NZ :NH3+ 159:sc= -0.02 (180deg=-0.02) USER MOD Single : A 1 GLY N :NH3+ 170:sc=-0.00544 (180deg=-0.137) USER MOD Single : A 5 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 150:sc= -1.44 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0167 K(o=-0.017,f=-1.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.26 K(o=0.26,f=-1.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -5.24! C(o=-5.2!,f=-9.9!) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.366 (180deg=-1.39) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.125 (180deg=-0.682) USER MOD Single : A 41 GLN : amide:sc= -0.966 K(o=-0.97,f=-4.1!) USER MOD Single : A 42 ASN : amide:sc= -5.15! C(o=-5.2!,f=-8.3!) USER MOD Single : A 49 GLN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 53 GLN : amide:sc= -4.1 K(o=-4.1,f=-7.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -154:sc= 0.0971 (180deg=0.00408) USER MOD Single : A 62 MET CE :methyl -160:sc= -2.64 (180deg=-4.31!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0302) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.716 USER MOD Single : A 74 SER OG : rot 90:sc= -0.838 USER MOD Single : A 75 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.068) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= 0.855 (180deg=0.113) USER MOD Single : A 80 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.489) USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.868) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0459 X(o=-0.046,f=-0.37) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.625 0.527 -4.838 1.00 13.34 N ATOM 2 CA GLY A 1 -1.437 -0.761 -5.478 1.00 31.54 C ATOM 3 C GLY A 1 -0.622 -0.663 -6.752 1.00 3.54 C ATOM 4 O GLY A 1 -0.826 -1.434 -7.688 1.00 64.04 O ATOM 0 H1 GLY A 1 -2.323 0.436 -4.072 1.00 13.34 H new ATOM 0 H2 GLY A 1 -0.720 0.854 -4.444 1.00 13.34 H new ATOM 0 H3 GLY A 1 -1.967 1.216 -5.538 1.00 13.34 H new ATOM 0 HA2 GLY A 1 -0.940 -1.439 -4.784 1.00 31.54 H new ATOM 0 HA3 GLY A 1 -2.410 -1.195 -5.706 1.00 31.54 H new ATOM 8 N ALA A 2 0.303 0.291 -6.788 1.00 25.14 N ATOM 9 CA ALA A 2 1.152 0.488 -7.956 1.00 64.20 C ATOM 10 C ALA A 2 2.438 -0.324 -7.843 1.00 64.03 C ATOM 11 O ALA A 2 3.537 0.225 -7.916 1.00 63.33 O ATOM 12 CB ALA A 2 1.472 1.965 -8.133 1.00 62.33 C ATOM 0 H ALA A 2 0.483 0.939 -6.021 1.00 25.14 H new ATOM 0 HA ALA A 2 0.608 0.138 -8.833 1.00 64.20 H new ATOM 0 HB1 ALA A 2 2.107 2.097 -9.009 1.00 62.33 H new ATOM 0 HB2 ALA A 2 0.546 2.524 -8.268 1.00 62.33 H new ATOM 0 HB3 ALA A 2 1.993 2.333 -7.249 1.00 62.33 H new ATOM 18 N GLU A 3 2.293 -1.633 -7.664 1.00 74.23 N ATOM 19 CA GLU A 3 3.444 -2.519 -7.540 1.00 30.41 C ATOM 20 C GLU A 3 3.148 -3.886 -8.152 1.00 14.44 C ATOM 21 O GLU A 3 2.323 -4.642 -7.639 1.00 44.33 O ATOM 22 CB GLU A 3 3.835 -2.681 -6.069 1.00 52.23 C ATOM 23 CG GLU A 3 4.116 -1.363 -5.366 1.00 72.51 C ATOM 24 CD GLU A 3 5.351 -0.668 -5.903 1.00 4.50 C ATOM 25 OE1 GLU A 3 6.063 -1.277 -6.729 1.00 52.33 O ATOM 26 OE2 GLU A 3 5.607 0.485 -5.497 1.00 43.31 O ATOM 0 H GLU A 3 1.390 -2.103 -7.602 1.00 74.23 H new ATOM 0 HA GLU A 3 4.276 -2.070 -8.083 1.00 30.41 H new ATOM 0 HB2 GLU A 3 3.033 -3.200 -5.544 1.00 52.23 H new ATOM 0 HB3 GLU A 3 4.720 -3.314 -6.004 1.00 52.23 H new ATOM 0 HG2 GLU A 3 3.255 -0.704 -5.479 1.00 72.51 H new ATOM 0 HG3 GLU A 3 4.241 -1.544 -4.298 1.00 72.51 H new ATOM 33 N GLY A 4 3.826 -4.195 -9.252 1.00 44.44 N ATOM 34 CA GLY A 4 3.622 -5.468 -9.917 1.00 20.40 C ATOM 35 C GLY A 4 4.836 -6.371 -9.826 1.00 21.42 C ATOM 36 O GLY A 4 5.969 -5.916 -9.976 1.00 60.13 O ATOM 0 H GLY A 4 4.514 -3.586 -9.695 1.00 44.44 H new ATOM 0 HA2 GLY A 4 2.764 -5.973 -9.473 1.00 20.40 H new ATOM 0 HA3 GLY A 4 3.382 -5.292 -10.966 1.00 20.40 H new ATOM 40 N ASN A 5 4.599 -7.655 -9.577 1.00 24.32 N ATOM 41 CA ASN A 5 5.683 -8.624 -9.463 1.00 64.33 C ATOM 42 C ASN A 5 5.683 -9.582 -10.651 1.00 24.23 C ATOM 43 O ASN A 5 5.852 -10.791 -10.488 1.00 64.31 O ATOM 44 CB ASN A 5 5.556 -9.412 -8.158 1.00 23.30 C ATOM 45 CG ASN A 5 5.671 -8.525 -6.933 1.00 61.15 C ATOM 46 OD1 ASN A 5 4.771 -8.487 -6.094 1.00 63.31 O ATOM 47 ND2 ASN A 5 6.782 -7.805 -6.827 1.00 30.45 N ATOM 0 H ASN A 5 3.666 -8.048 -9.450 1.00 24.32 H new ATOM 0 HA ASN A 5 6.626 -8.078 -9.459 1.00 64.33 H new ATOM 0 HB2 ASN A 5 4.596 -9.928 -8.141 1.00 23.30 H new ATOM 0 HB3 ASN A 5 6.331 -10.178 -8.123 1.00 23.30 H new ATOM 0 HD21 ASN A 5 6.916 -7.189 -6.025 1.00 30.45 H new ATOM 0 HD22 ASN A 5 7.502 -7.869 -7.547 1.00 30.45 H new ATOM 54 N THR A 6 5.493 -9.034 -11.847 1.00 1.33 N ATOM 55 CA THR A 6 5.470 -9.838 -13.062 1.00 24.23 C ATOM 56 C THR A 6 6.782 -9.714 -13.828 1.00 24.11 C ATOM 57 O THR A 6 6.982 -8.765 -14.587 1.00 63.25 O ATOM 58 CB THR A 6 4.309 -9.428 -13.986 1.00 15.51 C ATOM 59 OG1 THR A 6 3.219 -8.920 -13.207 1.00 43.23 O ATOM 60 CG2 THR A 6 3.836 -10.610 -14.819 1.00 14.54 C ATOM 0 H THR A 6 5.353 -8.035 -12.000 1.00 1.33 H new ATOM 0 HA THR A 6 5.329 -10.874 -12.752 1.00 24.23 H new ATOM 0 HB THR A 6 4.668 -8.650 -14.660 1.00 15.51 H new ATOM 0 HG1 THR A 6 2.485 -8.660 -13.802 1.00 43.23 H new ATOM 0 HG21 THR A 6 3.015 -10.296 -15.464 1.00 14.54 H new ATOM 0 HG22 THR A 6 4.660 -10.976 -15.432 1.00 14.54 H new ATOM 0 HG23 THR A 6 3.494 -11.407 -14.159 1.00 14.54 H new ATOM 68 N LEU A 7 7.674 -10.678 -13.625 1.00 51.21 N ATOM 69 CA LEU A 7 8.968 -10.677 -14.298 1.00 41.12 C ATOM 70 C LEU A 7 8.908 -11.476 -15.596 1.00 35.10 C ATOM 71 O LEU A 7 8.484 -12.632 -15.605 1.00 71.30 O ATOM 72 CB LEU A 7 10.044 -11.257 -13.378 1.00 51.04 C ATOM 73 CG LEU A 7 10.367 -10.442 -12.126 1.00 1.51 C ATOM 74 CD1 LEU A 7 11.158 -11.279 -11.133 1.00 45.13 C ATOM 75 CD2 LEU A 7 11.135 -9.180 -12.494 1.00 70.41 C ATOM 0 H LEU A 7 7.525 -11.470 -13.000 1.00 51.21 H new ATOM 0 HA LEU A 7 9.223 -9.645 -14.540 1.00 41.12 H new ATOM 0 HB2 LEU A 7 9.730 -12.253 -13.067 1.00 51.04 H new ATOM 0 HB3 LEU A 7 10.961 -11.378 -13.955 1.00 51.04 H new ATOM 0 HG LEU A 7 9.429 -10.148 -11.655 1.00 1.51 H new ATOM 0 HD11 LEU A 7 11.379 -10.682 -10.248 1.00 45.13 H new ATOM 0 HD12 LEU A 7 10.572 -12.152 -10.845 1.00 45.13 H new ATOM 0 HD13 LEU A 7 12.091 -11.604 -11.593 1.00 45.13 H new ATOM 0 HD21 LEU A 7 11.356 -8.612 -11.590 1.00 70.41 H new ATOM 0 HD22 LEU A 7 12.067 -9.453 -12.989 1.00 70.41 H new ATOM 0 HD23 LEU A 7 10.532 -8.570 -13.167 1.00 70.41 H new ATOM 87 N ILE A 8 9.335 -10.853 -16.689 1.00 24.22 N ATOM 88 CA ILE A 8 9.333 -11.508 -17.991 1.00 52.11 C ATOM 89 C ILE A 8 10.629 -11.235 -18.746 1.00 64.40 C ATOM 90 O ILE A 8 11.381 -10.323 -18.401 1.00 75.22 O ATOM 91 CB ILE A 8 8.143 -11.044 -18.852 1.00 43.42 C ATOM 92 CG1 ILE A 8 8.190 -9.527 -19.051 1.00 25.23 C ATOM 93 CG2 ILE A 8 6.829 -11.458 -18.208 1.00 21.33 C ATOM 94 CD1 ILE A 8 7.399 -9.050 -20.248 1.00 45.44 C ATOM 0 H ILE A 8 9.687 -9.896 -16.699 1.00 24.22 H new ATOM 0 HA ILE A 8 9.242 -12.578 -17.806 1.00 52.11 H new ATOM 0 HB ILE A 8 8.213 -11.523 -19.829 1.00 43.42 H new ATOM 0 HG12 ILE A 8 7.807 -9.039 -18.155 1.00 25.23 H new ATOM 0 HG13 ILE A 8 9.228 -9.216 -19.164 1.00 25.23 H new ATOM 0 HG21 ILE A 8 5.998 -11.123 -18.829 1.00 21.33 H new ATOM 0 HG22 ILE A 8 6.796 -12.543 -18.113 1.00 21.33 H new ATOM 0 HG23 ILE A 8 6.750 -11.005 -17.220 1.00 21.33 H new ATOM 0 HD11 ILE A 8 7.477 -7.966 -20.327 1.00 45.44 H new ATOM 0 HD12 ILE A 8 7.796 -9.510 -21.153 1.00 45.44 H new ATOM 0 HD13 ILE A 8 6.353 -9.330 -20.128 1.00 45.44 H new ATOM 106 N SER A 9 10.885 -12.032 -19.779 1.00 51.10 N ATOM 107 CA SER A 9 12.092 -11.878 -20.583 1.00 21.25 C ATOM 108 C SER A 9 11.754 -11.845 -22.070 1.00 20.41 C ATOM 109 O SER A 9 11.131 -12.767 -22.597 1.00 64.15 O ATOM 110 CB SER A 9 13.070 -13.019 -20.295 1.00 61.13 C ATOM 111 OG SER A 9 12.903 -14.079 -21.221 1.00 21.13 O ATOM 0 H SER A 9 10.273 -12.791 -20.079 1.00 51.10 H new ATOM 0 HA SER A 9 12.560 -10.931 -20.314 1.00 21.25 H new ATOM 0 HB2 SER A 9 14.093 -12.646 -20.344 1.00 61.13 H new ATOM 0 HB3 SER A 9 12.914 -13.389 -19.282 1.00 61.13 H new ATOM 0 HG SER A 9 12.026 -14.002 -21.652 1.00 21.13 H new ATOM 117 N VAL A 10 12.169 -10.776 -22.741 1.00 44.13 N ATOM 118 CA VAL A 10 11.912 -10.622 -24.168 1.00 45.42 C ATOM 119 C VAL A 10 13.110 -10.001 -24.878 1.00 64.23 C ATOM 120 O VAL A 10 13.614 -8.955 -24.469 1.00 24.21 O ATOM 121 CB VAL A 10 10.670 -9.749 -24.423 1.00 55.45 C ATOM 122 CG1 VAL A 10 10.841 -8.377 -23.789 1.00 50.32 C ATOM 123 CG2 VAL A 10 10.403 -9.625 -25.916 1.00 70.41 C ATOM 0 H VAL A 10 12.685 -10.003 -22.320 1.00 44.13 H new ATOM 0 HA VAL A 10 11.734 -11.620 -24.567 1.00 45.42 H new ATOM 0 HB VAL A 10 9.808 -10.231 -23.961 1.00 55.45 H new ATOM 0 HG11 VAL A 10 9.953 -7.775 -23.980 1.00 50.32 H new ATOM 0 HG12 VAL A 10 10.980 -8.488 -22.714 1.00 50.32 H new ATOM 0 HG13 VAL A 10 11.713 -7.884 -24.218 1.00 50.32 H new ATOM 0 HG21 VAL A 10 9.522 -9.005 -26.078 1.00 70.41 H new ATOM 0 HG22 VAL A 10 11.264 -9.166 -26.403 1.00 70.41 H new ATOM 0 HG23 VAL A 10 10.232 -10.615 -26.339 1.00 70.41 H new ATOM 133 N ASP A 11 13.561 -10.653 -25.945 1.00 3.53 N ATOM 134 CA ASP A 11 14.700 -10.164 -26.714 1.00 31.20 C ATOM 135 C ASP A 11 14.304 -9.902 -28.164 1.00 12.44 C ATOM 136 O ASP A 11 13.475 -10.614 -28.730 1.00 70.41 O ATOM 137 CB ASP A 11 15.849 -11.172 -26.661 1.00 33.52 C ATOM 138 CG ASP A 11 17.074 -10.694 -27.415 1.00 20.33 C ATOM 139 OD1 ASP A 11 17.384 -9.487 -27.338 1.00 43.24 O ATOM 140 OD2 ASP A 11 17.723 -11.528 -28.080 1.00 43.32 O ATOM 0 H ASP A 11 13.156 -11.520 -26.297 1.00 3.53 H new ATOM 0 HA ASP A 11 15.030 -9.225 -26.270 1.00 31.20 H new ATOM 0 HB2 ASP A 11 16.116 -11.359 -25.621 1.00 33.52 H new ATOM 0 HB3 ASP A 11 15.515 -12.121 -27.080 1.00 33.52 H new ATOM 145 N TYR A 12 14.900 -8.874 -28.758 1.00 23.15 N ATOM 146 CA TYR A 12 14.607 -8.515 -30.140 1.00 23.00 C ATOM 147 C TYR A 12 15.755 -7.716 -30.750 1.00 60.44 C ATOM 148 O TYR A 12 16.681 -7.308 -30.051 1.00 42.41 O ATOM 149 CB TYR A 12 13.312 -7.706 -30.215 1.00 55.30 C ATOM 150 CG TYR A 12 13.221 -6.609 -29.178 1.00 23.55 C ATOM 151 CD1 TYR A 12 14.128 -5.557 -29.169 1.00 65.22 C ATOM 152 CD2 TYR A 12 12.228 -6.626 -28.206 1.00 50.31 C ATOM 153 CE1 TYR A 12 14.050 -4.554 -28.223 1.00 21.13 C ATOM 154 CE2 TYR A 12 12.141 -5.626 -27.257 1.00 1.05 C ATOM 155 CZ TYR A 12 13.055 -4.593 -27.269 1.00 13.33 C ATOM 156 OH TYR A 12 12.972 -3.595 -26.325 1.00 44.40 O ATOM 0 H TYR A 12 15.589 -8.275 -28.304 1.00 23.15 H new ATOM 0 HA TYR A 12 14.486 -9.436 -30.710 1.00 23.00 H new ATOM 0 HB2 TYR A 12 13.227 -7.264 -31.208 1.00 55.30 H new ATOM 0 HB3 TYR A 12 12.465 -8.381 -30.093 1.00 55.30 H new ATOM 0 HD1 TYR A 12 14.908 -5.523 -29.915 1.00 65.22 H new ATOM 0 HD2 TYR A 12 11.512 -7.435 -28.192 1.00 50.31 H new ATOM 0 HE1 TYR A 12 14.764 -3.744 -28.230 1.00 21.13 H new ATOM 0 HE2 TYR A 12 11.362 -5.653 -26.510 1.00 1.05 H new ATOM 0 HH TYR A 12 12.037 -3.475 -26.058 1.00 44.40 H new ATOM 166 N GLU A 13 15.685 -7.498 -32.060 1.00 32.31 N ATOM 167 CA GLU A 13 16.718 -6.749 -32.765 1.00 53.22 C ATOM 168 C GLU A 13 16.123 -5.531 -33.467 1.00 60.55 C ATOM 169 O GLU A 13 15.712 -5.609 -34.626 1.00 20.44 O ATOM 170 CB GLU A 13 17.423 -7.645 -33.785 1.00 22.41 C ATOM 171 CG GLU A 13 16.472 -8.505 -34.600 1.00 61.40 C ATOM 172 CD GLU A 13 17.198 -9.461 -35.527 1.00 43.30 C ATOM 173 OE1 GLU A 13 17.685 -10.503 -35.042 1.00 65.35 O ATOM 174 OE2 GLU A 13 17.279 -9.165 -36.738 1.00 21.02 O ATOM 0 H GLU A 13 14.924 -7.829 -32.653 1.00 32.31 H new ATOM 0 HA GLU A 13 17.446 -6.405 -32.031 1.00 53.22 H new ATOM 0 HB2 GLU A 13 18.006 -7.021 -34.462 1.00 22.41 H new ATOM 0 HB3 GLU A 13 18.127 -8.292 -33.262 1.00 22.41 H new ATOM 0 HG2 GLU A 13 15.834 -9.074 -33.924 1.00 61.40 H new ATOM 0 HG3 GLU A 13 15.819 -7.860 -35.188 1.00 61.40 H new ATOM 181 N ILE A 14 16.080 -4.409 -32.758 1.00 44.10 N ATOM 182 CA ILE A 14 15.537 -3.175 -33.313 1.00 32.43 C ATOM 183 C ILE A 14 16.168 -2.855 -34.663 1.00 71.14 C ATOM 184 O ILE A 14 17.351 -3.113 -34.885 1.00 22.42 O ATOM 185 CB ILE A 14 15.757 -1.985 -32.361 1.00 12.03 C ATOM 186 CG1 ILE A 14 15.115 -2.266 -31.001 1.00 35.03 C ATOM 187 CG2 ILE A 14 15.190 -0.710 -32.967 1.00 32.00 C ATOM 188 CD1 ILE A 14 13.644 -2.610 -31.086 1.00 61.45 C ATOM 0 H ILE A 14 16.415 -4.328 -31.798 1.00 44.10 H new ATOM 0 HA ILE A 14 14.466 -3.332 -33.443 1.00 32.43 H new ATOM 0 HB ILE A 14 16.829 -1.849 -32.215 1.00 12.03 H new ATOM 0 HG12 ILE A 14 15.645 -3.089 -30.521 1.00 35.03 H new ATOM 0 HG13 ILE A 14 15.239 -1.392 -30.362 1.00 35.03 H new ATOM 0 HG21 ILE A 14 15.353 0.122 -32.282 1.00 32.00 H new ATOM 0 HG22 ILE A 14 15.689 -0.504 -33.914 1.00 32.00 H new ATOM 0 HG23 ILE A 14 14.121 -0.833 -33.140 1.00 32.00 H new ATOM 0 HD11 ILE A 14 13.256 -2.797 -30.085 1.00 61.45 H new ATOM 0 HD12 ILE A 14 13.101 -1.779 -31.537 1.00 61.45 H new ATOM 0 HD13 ILE A 14 13.514 -3.503 -31.698 1.00 61.45 H new ATOM 200 N PHE A 15 15.371 -2.289 -35.563 1.00 72.15 N ATOM 201 CA PHE A 15 15.851 -1.932 -36.893 1.00 43.12 C ATOM 202 C PHE A 15 16.332 -0.484 -36.927 1.00 62.20 C ATOM 203 O PHE A 15 16.461 0.163 -35.889 1.00 14.22 O ATOM 204 CB PHE A 15 14.746 -2.138 -37.931 1.00 34.24 C ATOM 205 CG PHE A 15 13.972 -3.411 -37.737 1.00 12.10 C ATOM 206 CD1 PHE A 15 14.618 -4.583 -37.379 1.00 4.33 C ATOM 207 CD2 PHE A 15 12.598 -3.435 -37.914 1.00 32.51 C ATOM 208 CE1 PHE A 15 13.909 -5.756 -37.199 1.00 43.43 C ATOM 209 CE2 PHE A 15 11.883 -4.605 -37.736 1.00 24.15 C ATOM 210 CZ PHE A 15 12.540 -5.767 -37.379 1.00 41.21 C ATOM 0 H PHE A 15 14.390 -2.068 -35.396 1.00 72.15 H new ATOM 0 HA PHE A 15 16.692 -2.582 -37.134 1.00 43.12 H new ATOM 0 HB2 PHE A 15 14.058 -1.294 -37.890 1.00 34.24 H new ATOM 0 HB3 PHE A 15 15.189 -2.140 -38.927 1.00 34.24 H new ATOM 0 HD1 PHE A 15 15.689 -4.580 -37.239 1.00 4.33 H new ATOM 0 HD2 PHE A 15 12.080 -2.530 -38.194 1.00 32.51 H new ATOM 0 HE1 PHE A 15 14.425 -6.662 -36.918 1.00 43.43 H new ATOM 0 HE2 PHE A 15 10.812 -4.611 -37.876 1.00 24.15 H new ATOM 0 HZ PHE A 15 11.984 -6.682 -37.241 1.00 41.21 H new ATOM 220 N GLY A 16 16.598 0.017 -38.130 1.00 14.24 N ATOM 221 CA GLY A 16 17.062 1.384 -38.277 1.00 41.14 C ATOM 222 C GLY A 16 18.501 1.460 -38.749 1.00 33.31 C ATOM 223 O GLY A 16 19.078 0.457 -39.171 1.00 14.21 O ATOM 0 H GLY A 16 16.500 -0.499 -39.004 1.00 14.24 H new ATOM 0 HA2 GLY A 16 16.422 1.907 -38.987 1.00 41.14 H new ATOM 0 HA3 GLY A 16 16.968 1.901 -37.322 1.00 41.14 H new ATOM 227 N LYS A 17 19.083 2.652 -38.679 1.00 55.35 N ATOM 228 CA LYS A 17 20.463 2.857 -39.103 1.00 33.42 C ATOM 229 C LYS A 17 21.422 2.696 -37.928 1.00 12.04 C ATOM 230 O LYS A 17 22.342 3.495 -37.750 1.00 73.35 O ATOM 231 CB LYS A 17 20.627 4.246 -39.723 1.00 3.01 C ATOM 232 CG LYS A 17 20.336 5.381 -38.757 1.00 40.50 C ATOM 233 CD LYS A 17 21.016 6.670 -39.190 1.00 34.22 C ATOM 234 CE LYS A 17 22.514 6.624 -38.930 1.00 54.15 C ATOM 235 NZ LYS A 17 23.264 7.518 -39.855 1.00 62.13 N ATOM 0 H LYS A 17 18.620 3.492 -38.332 1.00 55.35 H new ATOM 0 HA LYS A 17 20.703 2.102 -39.851 1.00 33.42 H new ATOM 0 HB2 LYS A 17 21.646 4.350 -40.096 1.00 3.01 H new ATOM 0 HB3 LYS A 17 19.962 4.332 -40.582 1.00 3.01 H new ATOM 0 HG2 LYS A 17 19.259 5.540 -38.694 1.00 40.50 H new ATOM 0 HG3 LYS A 17 20.676 5.107 -37.759 1.00 40.50 H new ATOM 0 HD2 LYS A 17 20.835 6.839 -40.251 1.00 34.22 H new ATOM 0 HD3 LYS A 17 20.578 7.512 -38.653 1.00 34.22 H new ATOM 0 HE2 LYS A 17 22.713 6.918 -37.899 1.00 54.15 H new ATOM 0 HE3 LYS A 17 22.871 5.601 -39.044 1.00 54.15 H new ATOM 0 HZ1 LYS A 17 24.281 7.459 -39.646 1.00 62.13 H new ATOM 0 HZ2 LYS A 17 23.094 7.222 -40.837 1.00 62.13 H new ATOM 0 HZ3 LYS A 17 22.941 8.498 -39.728 1.00 62.13 H new ATOM 249 N VAL A 18 21.202 1.658 -37.127 1.00 75.45 N ATOM 250 CA VAL A 18 22.048 1.391 -35.971 1.00 31.24 C ATOM 251 C VAL A 18 23.278 0.582 -36.365 1.00 24.32 C ATOM 252 O VAL A 18 23.555 -0.467 -35.783 1.00 45.14 O ATOM 253 CB VAL A 18 21.277 0.631 -34.874 1.00 42.45 C ATOM 254 CG1 VAL A 18 20.190 1.512 -34.278 1.00 1.30 C ATOM 255 CG2 VAL A 18 20.686 -0.654 -35.433 1.00 23.43 C ATOM 0 H VAL A 18 20.444 0.988 -37.258 1.00 75.45 H new ATOM 0 HA VAL A 18 22.363 2.358 -35.580 1.00 31.24 H new ATOM 0 HB VAL A 18 21.975 0.368 -34.079 1.00 42.45 H new ATOM 0 HG11 VAL A 18 19.656 0.959 -33.505 1.00 1.30 H new ATOM 0 HG12 VAL A 18 20.642 2.402 -33.840 1.00 1.30 H new ATOM 0 HG13 VAL A 18 19.491 1.808 -35.061 1.00 1.30 H new ATOM 0 HG21 VAL A 18 20.145 -1.178 -34.645 1.00 23.43 H new ATOM 0 HG22 VAL A 18 20.001 -0.416 -36.247 1.00 23.43 H new ATOM 0 HG23 VAL A 18 21.488 -1.290 -35.808 1.00 23.43 H new ATOM 265 N GLN A 19 24.013 1.077 -37.356 1.00 32.31 N ATOM 266 CA GLN A 19 25.214 0.399 -37.828 1.00 23.21 C ATOM 267 C GLN A 19 26.459 0.960 -37.148 1.00 13.21 C ATOM 268 O GLN A 19 27.040 0.323 -36.271 1.00 21.21 O ATOM 269 CB GLN A 19 25.341 0.538 -39.346 1.00 2.41 C ATOM 270 CG GLN A 19 24.244 -0.178 -40.117 1.00 11.45 C ATOM 271 CD GLN A 19 24.517 -0.231 -41.607 1.00 30.33 C ATOM 272 OE1 GLN A 19 25.631 0.042 -42.056 1.00 33.53 O ATOM 273 NE2 GLN A 19 23.499 -0.585 -42.383 1.00 42.40 N ATOM 0 H GLN A 19 23.798 1.945 -37.847 1.00 32.31 H new ATOM 0 HA GLN A 19 25.128 -0.657 -37.573 1.00 23.21 H new ATOM 0 HB2 GLN A 19 25.326 1.596 -39.608 1.00 2.41 H new ATOM 0 HB3 GLN A 19 26.309 0.146 -39.659 1.00 2.41 H new ATOM 0 HG2 GLN A 19 24.140 -1.193 -39.734 1.00 11.45 H new ATOM 0 HG3 GLN A 19 23.294 0.327 -39.943 1.00 11.45 H new ATOM 0 HE21 GLN A 19 22.593 -0.803 -41.968 1.00 42.40 H new ATOM 0 HE22 GLN A 19 23.623 -0.639 -43.394 1.00 42.40 H new ATOM 282 N GLY A 20 26.863 2.158 -37.559 1.00 54.35 N ATOM 283 CA GLY A 20 28.036 2.785 -36.980 1.00 1.13 C ATOM 284 C GLY A 20 27.681 3.856 -35.967 1.00 70.31 C ATOM 285 O GLY A 20 27.752 5.049 -36.263 1.00 74.42 O ATOM 0 H GLY A 20 26.398 2.706 -38.283 1.00 54.35 H new ATOM 0 HA2 GLY A 20 28.651 2.024 -36.499 1.00 1.13 H new ATOM 0 HA3 GLY A 20 28.638 3.226 -37.775 1.00 1.13 H new ATOM 289 N VAL A 21 27.296 3.430 -34.768 1.00 61.22 N ATOM 290 CA VAL A 21 26.928 4.361 -33.708 1.00 73.41 C ATOM 291 C VAL A 21 27.226 3.774 -32.333 1.00 71.41 C ATOM 292 O VAL A 21 27.774 2.677 -32.220 1.00 35.31 O ATOM 293 CB VAL A 21 25.435 4.733 -33.782 1.00 41.53 C ATOM 294 CG1 VAL A 21 25.125 5.437 -35.095 1.00 11.45 C ATOM 295 CG2 VAL A 21 24.568 3.495 -33.614 1.00 70.13 C ATOM 0 H VAL A 21 27.231 2.446 -34.507 1.00 61.22 H new ATOM 0 HA VAL A 21 27.527 5.260 -33.854 1.00 73.41 H new ATOM 0 HB VAL A 21 25.209 5.420 -32.966 1.00 41.53 H new ATOM 0 HG11 VAL A 21 24.066 5.692 -35.130 1.00 11.45 H new ATOM 0 HG12 VAL A 21 25.720 6.347 -35.169 1.00 11.45 H new ATOM 0 HG13 VAL A 21 25.367 4.777 -35.928 1.00 11.45 H new ATOM 0 HG21 VAL A 21 23.517 3.777 -33.669 1.00 70.13 H new ATOM 0 HG22 VAL A 21 24.794 2.782 -34.407 1.00 70.13 H new ATOM 0 HG23 VAL A 21 24.771 3.037 -32.646 1.00 70.13 H new ATOM 305 N PHE A 22 26.862 4.511 -31.289 1.00 75.04 N ATOM 306 CA PHE A 22 27.090 4.064 -29.920 1.00 64.13 C ATOM 307 C PHE A 22 25.803 3.527 -29.301 1.00 63.33 C ATOM 308 O PHE A 22 25.515 3.773 -28.130 1.00 33.40 O ATOM 309 CB PHE A 22 27.637 5.213 -29.071 1.00 22.02 C ATOM 310 CG PHE A 22 28.890 5.826 -29.627 1.00 44.11 C ATOM 311 CD1 PHE A 22 29.996 5.040 -29.909 1.00 20.11 C ATOM 312 CD2 PHE A 22 28.963 7.188 -29.869 1.00 13.52 C ATOM 313 CE1 PHE A 22 31.151 5.602 -30.420 1.00 74.21 C ATOM 314 CE2 PHE A 22 30.115 7.756 -30.380 1.00 55.04 C ATOM 315 CZ PHE A 22 31.210 6.961 -30.657 1.00 55.34 C ATOM 0 H PHE A 22 26.408 5.421 -31.365 1.00 75.04 H new ATOM 0 HA PHE A 22 27.824 3.258 -29.945 1.00 64.13 H new ATOM 0 HB2 PHE A 22 26.873 5.985 -28.983 1.00 22.02 H new ATOM 0 HB3 PHE A 22 27.837 4.847 -28.064 1.00 22.02 H new ATOM 0 HD1 PHE A 22 29.955 3.976 -29.727 1.00 20.11 H new ATOM 0 HD2 PHE A 22 28.109 7.814 -29.656 1.00 13.52 H new ATOM 0 HE1 PHE A 22 32.007 4.979 -30.634 1.00 74.21 H new ATOM 0 HE2 PHE A 22 30.159 8.820 -30.562 1.00 55.04 H new ATOM 0 HZ PHE A 22 32.111 7.402 -31.058 1.00 55.34 H new ATOM 325 N PHE A 23 25.033 2.792 -30.097 1.00 11.11 N ATOM 326 CA PHE A 23 23.776 2.221 -29.629 1.00 35.21 C ATOM 327 C PHE A 23 24.005 1.315 -28.423 1.00 3.14 C ATOM 328 O PHE A 23 23.097 1.083 -27.625 1.00 54.30 O ATOM 329 CB PHE A 23 23.100 1.431 -30.752 1.00 41.43 C ATOM 330 CG PHE A 23 21.614 1.300 -30.583 1.00 15.23 C ATOM 331 CD1 PHE A 23 21.078 0.284 -29.808 1.00 24.30 C ATOM 332 CD2 PHE A 23 20.751 2.194 -31.198 1.00 22.44 C ATOM 333 CE1 PHE A 23 19.711 0.160 -29.651 1.00 52.41 C ATOM 334 CE2 PHE A 23 19.383 2.076 -31.044 1.00 33.50 C ATOM 335 CZ PHE A 23 18.862 1.058 -30.269 1.00 10.02 C ATOM 0 H PHE A 23 25.258 2.578 -31.069 1.00 11.11 H new ATOM 0 HA PHE A 23 23.124 3.041 -29.327 1.00 35.21 H new ATOM 0 HB2 PHE A 23 23.308 1.919 -31.704 1.00 41.43 H new ATOM 0 HB3 PHE A 23 23.541 0.435 -30.801 1.00 41.43 H new ATOM 0 HD1 PHE A 23 21.737 -0.419 -29.321 1.00 24.30 H new ATOM 0 HD2 PHE A 23 21.153 2.992 -31.805 1.00 22.44 H new ATOM 0 HE1 PHE A 23 19.306 -0.638 -29.046 1.00 52.41 H new ATOM 0 HE2 PHE A 23 18.722 2.779 -31.529 1.00 33.50 H new ATOM 0 HZ PHE A 23 17.793 0.964 -30.146 1.00 10.02 H new ATOM 345 N ARG A 24 25.226 0.806 -28.297 1.00 23.42 N ATOM 346 CA ARG A 24 25.576 -0.076 -27.190 1.00 31.14 C ATOM 347 C ARG A 24 26.219 0.710 -26.051 1.00 65.10 C ATOM 348 O ARG A 24 26.964 0.155 -25.242 1.00 43.45 O ATOM 349 CB ARG A 24 26.527 -1.176 -27.666 1.00 40.50 C ATOM 350 CG ARG A 24 27.921 -0.671 -28.002 1.00 21.40 C ATOM 351 CD ARG A 24 28.839 -1.809 -28.422 1.00 74.01 C ATOM 352 NE ARG A 24 30.249 -1.453 -28.288 1.00 34.11 N ATOM 353 CZ ARG A 24 31.244 -2.312 -28.473 1.00 64.44 C ATOM 354 NH1 ARG A 24 30.986 -3.571 -28.800 1.00 30.22 N ATOM 355 NH2 ARG A 24 32.502 -1.913 -28.333 1.00 51.11 N ATOM 0 H ARG A 24 25.990 0.989 -28.948 1.00 23.42 H new ATOM 0 HA ARG A 24 24.659 -0.534 -26.820 1.00 31.14 H new ATOM 0 HB2 ARG A 24 26.603 -1.939 -26.892 1.00 40.50 H new ATOM 0 HB3 ARG A 24 26.101 -1.657 -28.547 1.00 40.50 H new ATOM 0 HG2 ARG A 24 27.859 0.064 -28.805 1.00 21.40 H new ATOM 0 HG3 ARG A 24 28.343 -0.162 -27.136 1.00 21.40 H new ATOM 0 HD2 ARG A 24 28.628 -2.688 -27.814 1.00 74.01 H new ATOM 0 HD3 ARG A 24 28.630 -2.080 -29.457 1.00 74.01 H new ATOM 0 HE ARG A 24 30.482 -0.492 -28.039 1.00 34.11 H new ATOM 0 HH11 ARG A 24 30.021 -3.882 -28.910 1.00 30.22 H new ATOM 0 HH12 ARG A 24 31.753 -4.229 -28.941 1.00 30.22 H new ATOM 0 HH21 ARG A 24 32.705 -0.945 -28.083 1.00 51.11 H new ATOM 0 HH22 ARG A 24 33.266 -2.574 -28.475 1.00 51.11 H new ATOM 369 N LYS A 25 25.928 2.005 -25.994 1.00 74.11 N ATOM 370 CA LYS A 25 26.476 2.868 -24.955 1.00 41.31 C ATOM 371 C LYS A 25 25.361 3.536 -24.157 1.00 75.14 C ATOM 372 O LYS A 25 25.490 3.754 -22.952 1.00 60.42 O ATOM 373 CB LYS A 25 27.383 3.934 -25.575 1.00 15.20 C ATOM 374 CG LYS A 25 28.141 4.759 -24.549 1.00 52.15 C ATOM 375 CD LYS A 25 29.248 5.573 -25.197 1.00 40.53 C ATOM 376 CE LYS A 25 29.873 6.548 -24.211 1.00 25.21 C ATOM 377 NZ LYS A 25 31.030 7.274 -24.806 1.00 34.22 N ATOM 0 H LYS A 25 25.315 2.480 -26.656 1.00 74.11 H new ATOM 0 HA LYS A 25 27.063 2.249 -24.276 1.00 41.31 H new ATOM 0 HB2 LYS A 25 28.098 3.449 -26.239 1.00 15.20 H new ATOM 0 HB3 LYS A 25 26.778 4.601 -26.190 1.00 15.20 H new ATOM 0 HG2 LYS A 25 27.450 5.427 -24.035 1.00 52.15 H new ATOM 0 HG3 LYS A 25 28.568 4.099 -23.793 1.00 52.15 H new ATOM 0 HD2 LYS A 25 30.016 4.903 -25.583 1.00 40.53 H new ATOM 0 HD3 LYS A 25 28.846 6.122 -26.049 1.00 40.53 H new ATOM 0 HE2 LYS A 25 29.121 7.267 -23.886 1.00 25.21 H new ATOM 0 HE3 LYS A 25 30.201 6.007 -23.324 1.00 25.21 H new ATOM 0 HZ1 LYS A 25 31.428 7.929 -24.103 1.00 34.22 H new ATOM 0 HZ2 LYS A 25 31.759 6.590 -25.093 1.00 34.22 H new ATOM 0 HZ3 LYS A 25 30.712 7.811 -25.638 1.00 34.22 H new ATOM 391 N HIS A 26 24.264 3.858 -24.837 1.00 22.42 N ATOM 392 CA HIS A 26 23.125 4.499 -24.190 1.00 74.32 C ATOM 393 C HIS A 26 22.124 3.458 -23.696 1.00 40.15 C ATOM 394 O HIS A 26 21.371 3.703 -22.753 1.00 4.01 O ATOM 395 CB HIS A 26 22.439 5.464 -25.158 1.00 31.13 C ATOM 396 CG HIS A 26 21.741 6.600 -24.476 1.00 34.11 C ATOM 397 ND1 HIS A 26 20.741 6.418 -23.543 1.00 43.23 N ATOM 398 CD2 HIS A 26 21.904 7.938 -24.595 1.00 15.45 C ATOM 399 CE1 HIS A 26 20.319 7.596 -23.119 1.00 74.40 C ATOM 400 NE2 HIS A 26 21.008 8.535 -23.741 1.00 61.22 N ATOM 0 H HIS A 26 24.141 3.685 -25.835 1.00 22.42 H new ATOM 0 HA HIS A 26 23.494 5.059 -23.331 1.00 74.32 H new ATOM 0 HB2 HIS A 26 23.183 5.866 -25.846 1.00 31.13 H new ATOM 0 HB3 HIS A 26 21.716 4.911 -25.758 1.00 31.13 H new ATOM 0 HD1 HIS A 26 20.384 5.516 -23.230 1.00 43.23 H new ATOM 0 HD2 HIS A 26 22.607 8.443 -25.241 1.00 15.45 H new ATOM 0 HE1 HIS A 26 19.542 7.763 -22.388 1.00 74.40 H new ATOM 408 N THR A 27 22.120 2.295 -24.341 1.00 0.30 N ATOM 409 CA THR A 27 21.211 1.218 -23.969 1.00 41.51 C ATOM 410 C THR A 27 21.613 0.595 -22.637 1.00 61.25 C ATOM 411 O THR A 27 20.759 0.194 -21.847 1.00 41.41 O ATOM 412 CB THR A 27 21.172 0.119 -25.047 1.00 60.20 C ATOM 413 OG1 THR A 27 20.246 -0.906 -24.668 1.00 42.23 O ATOM 414 CG2 THR A 27 22.552 -0.488 -25.251 1.00 50.24 C ATOM 0 H THR A 27 22.736 2.075 -25.124 1.00 0.30 H new ATOM 0 HA THR A 27 20.219 1.659 -23.875 1.00 41.51 H new ATOM 0 HB THR A 27 20.849 0.572 -25.985 1.00 60.20 H new ATOM 0 HG1 THR A 27 20.226 -1.600 -25.359 1.00 42.23 H new ATOM 0 HG21 THR A 27 22.500 -1.262 -26.017 1.00 50.24 H new ATOM 0 HG22 THR A 27 23.248 0.289 -25.567 1.00 50.24 H new ATOM 0 HG23 THR A 27 22.898 -0.927 -24.315 1.00 50.24 H new ATOM 422 N GLN A 28 22.918 0.517 -22.396 1.00 33.41 N ATOM 423 CA GLN A 28 23.432 -0.059 -21.159 1.00 11.13 C ATOM 424 C GLN A 28 22.969 0.748 -19.950 1.00 21.42 C ATOM 425 O GLN A 28 22.719 0.193 -18.880 1.00 72.33 O ATOM 426 CB GLN A 28 24.960 -0.116 -21.194 1.00 40.52 C ATOM 427 CG GLN A 28 25.610 1.208 -21.563 1.00 55.44 C ATOM 428 CD GLN A 28 27.110 1.204 -21.344 1.00 74.32 C ATOM 429 OE1 GLN A 28 27.886 1.406 -22.278 1.00 53.45 O ATOM 430 NE2 GLN A 28 27.526 0.972 -20.105 1.00 23.11 N ATOM 0 H GLN A 28 23.638 0.845 -23.040 1.00 33.41 H new ATOM 0 HA GLN A 28 23.040 -1.072 -21.069 1.00 11.13 H new ATOM 0 HB2 GLN A 28 25.326 -0.431 -20.217 1.00 40.52 H new ATOM 0 HB3 GLN A 28 25.271 -0.876 -21.911 1.00 40.52 H new ATOM 0 HG2 GLN A 28 25.400 1.432 -22.609 1.00 55.44 H new ATOM 0 HG3 GLN A 28 25.162 2.006 -20.970 1.00 55.44 H new ATOM 0 HE21 GLN A 28 26.847 0.810 -19.361 1.00 23.11 H new ATOM 0 HE22 GLN A 28 28.524 0.956 -19.897 1.00 23.11 H new ATOM 439 N ALA A 29 22.858 2.060 -20.127 1.00 61.04 N ATOM 440 CA ALA A 29 22.424 2.942 -19.052 1.00 10.44 C ATOM 441 C ALA A 29 20.910 2.888 -18.874 1.00 44.43 C ATOM 442 O ALA A 29 20.405 2.957 -17.754 1.00 63.24 O ATOM 443 CB ALA A 29 22.875 4.370 -19.325 1.00 74.35 C ATOM 0 H ALA A 29 23.063 2.536 -21.006 1.00 61.04 H new ATOM 0 HA ALA A 29 22.885 2.598 -18.126 1.00 10.44 H new ATOM 0 HB1 ALA A 29 22.544 5.018 -18.513 1.00 74.35 H new ATOM 0 HB2 ALA A 29 23.962 4.401 -19.393 1.00 74.35 H new ATOM 0 HB3 ALA A 29 22.442 4.715 -20.264 1.00 74.35 H new ATOM 449 N GLU A 30 20.193 2.766 -19.987 1.00 32.14 N ATOM 450 CA GLU A 30 18.736 2.704 -19.952 1.00 43.54 C ATOM 451 C GLU A 30 18.261 1.569 -19.050 1.00 13.50 C ATOM 452 O GLU A 30 17.324 1.733 -18.270 1.00 15.10 O ATOM 453 CB GLU A 30 18.178 2.516 -21.365 1.00 23.14 C ATOM 454 CG GLU A 30 17.840 3.821 -22.064 1.00 55.35 C ATOM 455 CD GLU A 30 16.875 4.678 -21.267 1.00 71.52 C ATOM 456 OE1 GLU A 30 15.664 4.370 -21.275 1.00 4.14 O ATOM 457 OE2 GLU A 30 17.330 5.654 -20.636 1.00 52.44 O ATOM 0 H GLU A 30 20.596 2.708 -20.922 1.00 32.14 H new ATOM 0 HA GLU A 30 18.367 3.646 -19.546 1.00 43.54 H new ATOM 0 HB2 GLU A 30 18.907 1.970 -21.965 1.00 23.14 H new ATOM 0 HB3 GLU A 30 17.281 1.898 -21.313 1.00 23.14 H new ATOM 0 HG2 GLU A 30 18.758 4.382 -22.241 1.00 55.35 H new ATOM 0 HG3 GLU A 30 17.406 3.604 -23.040 1.00 55.35 H new ATOM 464 N GLY A 31 18.915 0.417 -19.163 1.00 54.24 N ATOM 465 CA GLY A 31 18.545 -0.729 -18.353 1.00 54.53 C ATOM 466 C GLY A 31 18.814 -0.507 -16.878 1.00 51.21 C ATOM 467 O GLY A 31 18.104 -1.037 -16.023 1.00 3.11 O ATOM 0 H GLY A 31 19.695 0.257 -19.801 1.00 54.24 H new ATOM 0 HA2 GLY A 31 17.487 -0.946 -18.498 1.00 54.53 H new ATOM 0 HA3 GLY A 31 19.099 -1.604 -18.693 1.00 54.53 H new ATOM 471 N LYS A 32 19.843 0.278 -16.578 1.00 23.33 N ATOM 472 CA LYS A 32 20.206 0.569 -15.196 1.00 23.22 C ATOM 473 C LYS A 32 19.305 1.653 -14.613 1.00 73.52 C ATOM 474 O LYS A 32 19.063 1.691 -13.407 1.00 15.13 O ATOM 475 CB LYS A 32 21.670 1.009 -15.113 1.00 54.12 C ATOM 476 CG LYS A 32 22.645 -0.015 -15.668 1.00 0.33 C ATOM 477 CD LYS A 32 23.062 -1.019 -14.607 1.00 23.13 C ATOM 478 CE LYS A 32 24.248 -0.516 -13.798 1.00 43.33 C ATOM 479 NZ LYS A 32 23.819 0.338 -12.656 1.00 32.51 N ATOM 0 H LYS A 32 20.441 0.724 -17.274 1.00 23.33 H new ATOM 0 HA LYS A 32 20.073 -0.342 -14.613 1.00 23.22 H new ATOM 0 HB2 LYS A 32 21.791 1.946 -15.657 1.00 54.12 H new ATOM 0 HB3 LYS A 32 21.922 1.211 -14.072 1.00 54.12 H new ATOM 0 HG2 LYS A 32 22.186 -0.539 -16.506 1.00 0.33 H new ATOM 0 HG3 LYS A 32 23.527 0.494 -16.056 1.00 0.33 H new ATOM 0 HD2 LYS A 32 22.222 -1.215 -13.940 1.00 23.13 H new ATOM 0 HD3 LYS A 32 23.320 -1.966 -15.082 1.00 23.13 H new ATOM 0 HE2 LYS A 32 24.818 -1.366 -13.422 1.00 43.33 H new ATOM 0 HE3 LYS A 32 24.915 0.053 -14.446 1.00 43.33 H new ATOM 0 HZ1 LYS A 32 24.512 0.260 -11.885 1.00 32.51 H new ATOM 0 HZ2 LYS A 32 23.757 1.328 -12.967 1.00 32.51 H new ATOM 0 HZ3 LYS A 32 22.888 0.023 -12.317 1.00 32.51 H new ATOM 493 N LYS A 33 18.809 2.531 -15.478 1.00 11.21 N ATOM 494 CA LYS A 33 17.931 3.614 -15.050 1.00 44.45 C ATOM 495 C LYS A 33 16.618 3.066 -14.502 1.00 11.23 C ATOM 496 O LYS A 33 15.964 3.704 -13.676 1.00 0.34 O ATOM 497 CB LYS A 33 17.652 4.563 -16.218 1.00 41.13 C ATOM 498 CG LYS A 33 18.717 5.631 -16.403 1.00 35.25 C ATOM 499 CD LYS A 33 18.147 6.880 -17.054 1.00 72.44 C ATOM 500 CE LYS A 33 17.567 7.833 -16.021 1.00 33.32 C ATOM 501 NZ LYS A 33 18.610 8.339 -15.086 1.00 74.11 N ATOM 0 H LYS A 33 19.000 2.514 -16.480 1.00 11.21 H new ATOM 0 HA LYS A 33 18.435 4.164 -14.255 1.00 44.45 H new ATOM 0 HB2 LYS A 33 17.570 3.981 -17.136 1.00 41.13 H new ATOM 0 HB3 LYS A 33 16.688 5.047 -16.060 1.00 41.13 H new ATOM 0 HG2 LYS A 33 19.148 5.888 -15.435 1.00 35.25 H new ATOM 0 HG3 LYS A 33 19.526 5.236 -17.017 1.00 35.25 H new ATOM 0 HD2 LYS A 33 18.930 7.387 -17.619 1.00 72.44 H new ATOM 0 HD3 LYS A 33 17.372 6.598 -17.766 1.00 72.44 H new ATOM 0 HE2 LYS A 33 17.095 8.674 -16.528 1.00 33.32 H new ATOM 0 HE3 LYS A 33 16.787 7.324 -15.454 1.00 33.32 H new ATOM 0 HZ1 LYS A 33 18.319 9.263 -14.708 1.00 74.11 H new ATOM 0 HZ2 LYS A 33 18.729 7.666 -14.302 1.00 74.11 H new ATOM 0 HZ3 LYS A 33 19.512 8.441 -15.594 1.00 74.11 H new ATOM 515 N LEU A 34 16.238 1.880 -14.965 1.00 12.55 N ATOM 516 CA LEU A 34 15.003 1.245 -14.519 1.00 15.34 C ATOM 517 C LEU A 34 15.299 0.040 -13.632 1.00 2.55 C ATOM 518 O LEU A 34 14.838 -0.034 -12.493 1.00 42.23 O ATOM 519 CB LEU A 34 14.165 0.812 -15.723 1.00 51.31 C ATOM 520 CG LEU A 34 13.270 1.888 -16.340 1.00 33.24 C ATOM 521 CD1 LEU A 34 12.542 1.342 -17.558 1.00 54.11 C ATOM 522 CD2 LEU A 34 12.276 2.409 -15.311 1.00 63.43 C ATOM 0 H LEU A 34 16.767 1.339 -15.649 1.00 12.55 H new ATOM 0 HA LEU A 34 14.440 1.973 -13.935 1.00 15.34 H new ATOM 0 HB2 LEU A 34 14.839 0.442 -16.495 1.00 51.31 H new ATOM 0 HB3 LEU A 34 13.536 -0.026 -15.420 1.00 51.31 H new ATOM 0 HG LEU A 34 13.900 2.718 -16.660 1.00 33.24 H new ATOM 0 HD11 LEU A 34 11.910 2.121 -17.984 1.00 54.11 H new ATOM 0 HD12 LEU A 34 13.270 1.018 -18.302 1.00 54.11 H new ATOM 0 HD13 LEU A 34 11.924 0.494 -17.263 1.00 54.11 H new ATOM 0 HD21 LEU A 34 11.647 3.174 -15.767 1.00 63.43 H new ATOM 0 HD22 LEU A 34 11.651 1.588 -14.960 1.00 63.43 H new ATOM 0 HD23 LEU A 34 12.817 2.839 -14.468 1.00 63.43 H new ATOM 534 N GLY A 35 16.074 -0.901 -14.161 1.00 24.32 N ATOM 535 CA GLY A 35 16.421 -2.089 -13.403 1.00 23.23 C ATOM 536 C GLY A 35 16.150 -3.367 -14.171 1.00 73.22 C ATOM 537 O GLY A 35 15.338 -4.193 -13.751 1.00 2.13 O ATOM 0 H GLY A 35 16.468 -0.862 -15.101 1.00 24.32 H new ATOM 0 HA2 GLY A 35 17.476 -2.048 -13.133 1.00 23.23 H new ATOM 0 HA3 GLY A 35 15.854 -2.101 -12.472 1.00 23.23 H new ATOM 541 N LEU A 36 16.828 -3.531 -15.301 1.00 62.44 N ATOM 542 CA LEU A 36 16.655 -4.718 -16.132 1.00 50.03 C ATOM 543 C LEU A 36 18.005 -5.288 -16.556 1.00 11.12 C ATOM 544 O LEU A 36 18.970 -4.548 -16.750 1.00 33.22 O ATOM 545 CB LEU A 36 15.820 -4.381 -17.369 1.00 20.30 C ATOM 546 CG LEU A 36 14.635 -3.442 -17.143 1.00 74.22 C ATOM 547 CD1 LEU A 36 13.979 -3.082 -18.467 1.00 42.04 C ATOM 548 CD2 LEU A 36 13.623 -4.078 -16.201 1.00 12.33 C ATOM 0 H LEU A 36 17.503 -2.857 -15.663 1.00 62.44 H new ATOM 0 HA LEU A 36 16.133 -5.471 -15.542 1.00 50.03 H new ATOM 0 HB2 LEU A 36 16.476 -3.932 -18.115 1.00 20.30 H new ATOM 0 HB3 LEU A 36 15.444 -5.312 -17.794 1.00 20.30 H new ATOM 0 HG LEU A 36 15.005 -2.526 -16.683 1.00 74.22 H new ATOM 0 HD11 LEU A 36 13.138 -2.413 -18.286 1.00 42.04 H new ATOM 0 HD12 LEU A 36 14.706 -2.585 -19.110 1.00 42.04 H new ATOM 0 HD13 LEU A 36 13.623 -3.989 -18.955 1.00 42.04 H new ATOM 0 HD21 LEU A 36 12.786 -3.396 -16.051 1.00 12.33 H new ATOM 0 HD22 LEU A 36 13.259 -5.010 -16.634 1.00 12.33 H new ATOM 0 HD23 LEU A 36 14.098 -4.285 -15.242 1.00 12.33 H new ATOM 560 N VAL A 37 18.065 -6.608 -16.700 1.00 24.03 N ATOM 561 CA VAL A 37 19.296 -7.277 -17.104 1.00 31.52 C ATOM 562 C VAL A 37 19.188 -7.815 -18.526 1.00 55.13 C ATOM 563 O VAL A 37 18.173 -7.628 -19.196 1.00 73.11 O ATOM 564 CB VAL A 37 19.641 -8.439 -16.153 1.00 4.11 C ATOM 565 CG1 VAL A 37 19.712 -7.949 -14.715 1.00 11.33 C ATOM 566 CG2 VAL A 37 18.625 -9.562 -16.293 1.00 13.21 C ATOM 0 H VAL A 37 17.276 -7.235 -16.543 1.00 24.03 H new ATOM 0 HA VAL A 37 20.090 -6.532 -17.060 1.00 31.52 H new ATOM 0 HB VAL A 37 20.621 -8.831 -16.427 1.00 4.11 H new ATOM 0 HG11 VAL A 37 19.957 -8.784 -14.058 1.00 11.33 H new ATOM 0 HG12 VAL A 37 20.482 -7.182 -14.630 1.00 11.33 H new ATOM 0 HG13 VAL A 37 18.748 -7.530 -14.425 1.00 11.33 H new ATOM 0 HG21 VAL A 37 18.884 -10.374 -15.614 1.00 13.21 H new ATOM 0 HG22 VAL A 37 17.632 -9.187 -16.047 1.00 13.21 H new ATOM 0 HG23 VAL A 37 18.630 -9.931 -17.319 1.00 13.21 H new ATOM 576 N GLY A 38 20.242 -8.485 -18.982 1.00 51.42 N ATOM 577 CA GLY A 38 20.245 -9.040 -20.323 1.00 41.31 C ATOM 578 C GLY A 38 21.557 -8.805 -21.044 1.00 64.45 C ATOM 579 O GLY A 38 22.625 -9.130 -20.525 1.00 3.30 O ATOM 0 H GLY A 38 21.094 -8.653 -18.447 1.00 51.42 H new ATOM 0 HA2 GLY A 38 20.050 -10.111 -20.270 1.00 41.31 H new ATOM 0 HA3 GLY A 38 19.433 -8.596 -20.899 1.00 41.31 H new ATOM 583 N TRP A 39 21.478 -8.243 -22.245 1.00 3.43 N ATOM 584 CA TRP A 39 22.670 -7.967 -23.039 1.00 71.05 C ATOM 585 C TRP A 39 22.320 -7.154 -24.281 1.00 61.21 C ATOM 586 O TRP A 39 21.186 -7.191 -24.760 1.00 4.52 O ATOM 587 CB TRP A 39 23.350 -9.275 -23.446 1.00 65.01 C ATOM 588 CG TRP A 39 22.536 -10.097 -24.399 1.00 22.34 C ATOM 589 CD1 TRP A 39 22.473 -9.957 -25.756 1.00 0.34 C ATOM 590 CD2 TRP A 39 21.668 -11.186 -24.065 1.00 52.31 C ATOM 591 NE1 TRP A 39 21.618 -10.892 -26.286 1.00 34.32 N ATOM 592 CE2 TRP A 39 21.111 -11.659 -25.270 1.00 5.23 C ATOM 593 CE3 TRP A 39 21.308 -11.808 -22.867 1.00 12.11 C ATOM 594 CZ2 TRP A 39 20.215 -12.723 -25.308 1.00 31.45 C ATOM 595 CZ3 TRP A 39 20.418 -12.864 -22.906 1.00 74.11 C ATOM 596 CH2 TRP A 39 19.880 -13.314 -24.119 1.00 51.14 C ATOM 0 H TRP A 39 20.602 -7.970 -22.690 1.00 3.43 H new ATOM 0 HA TRP A 39 23.357 -7.383 -22.427 1.00 71.05 H new ATOM 0 HB2 TRP A 39 24.313 -9.048 -23.904 1.00 65.01 H new ATOM 0 HB3 TRP A 39 23.553 -9.864 -22.552 1.00 65.01 H new ATOM 0 HD1 TRP A 39 23.016 -9.219 -26.328 1.00 0.34 H new ATOM 0 HE1 TRP A 39 21.396 -10.998 -27.276 1.00 34.32 H new ATOM 0 HE3 TRP A 39 21.718 -11.469 -21.927 1.00 12.11 H new ATOM 0 HZ2 TRP A 39 19.799 -13.070 -26.242 1.00 31.45 H new ATOM 0 HZ3 TRP A 39 20.132 -13.351 -21.986 1.00 74.11 H new ATOM 0 HH2 TRP A 39 19.188 -14.143 -24.116 1.00 51.14 H new ATOM 607 N VAL A 40 23.301 -6.421 -24.799 1.00 34.00 N ATOM 608 CA VAL A 40 23.096 -5.600 -25.986 1.00 70.14 C ATOM 609 C VAL A 40 24.236 -5.781 -26.982 1.00 52.35 C ATOM 610 O VAL A 40 25.386 -5.982 -26.594 1.00 1.52 O ATOM 611 CB VAL A 40 22.978 -4.108 -25.623 1.00 53.14 C ATOM 612 CG1 VAL A 40 24.292 -3.589 -25.060 1.00 61.25 C ATOM 613 CG2 VAL A 40 22.551 -3.297 -26.838 1.00 3.23 C ATOM 0 H VAL A 40 24.245 -6.379 -24.415 1.00 34.00 H new ATOM 0 HA VAL A 40 22.163 -5.930 -26.442 1.00 70.14 H new ATOM 0 HB VAL A 40 22.213 -3.998 -24.854 1.00 53.14 H new ATOM 0 HG11 VAL A 40 24.189 -2.533 -24.810 1.00 61.25 H new ATOM 0 HG12 VAL A 40 24.551 -4.151 -24.163 1.00 61.25 H new ATOM 0 HG13 VAL A 40 25.080 -3.710 -25.804 1.00 61.25 H new ATOM 0 HG21 VAL A 40 22.472 -2.245 -26.564 1.00 3.23 H new ATOM 0 HG22 VAL A 40 23.291 -3.411 -27.630 1.00 3.23 H new ATOM 0 HG23 VAL A 40 21.583 -3.653 -27.191 1.00 3.23 H new ATOM 623 N GLN A 41 23.908 -5.707 -28.268 1.00 71.44 N ATOM 624 CA GLN A 41 24.905 -5.863 -29.321 1.00 21.23 C ATOM 625 C GLN A 41 24.313 -5.527 -30.686 1.00 23.54 C ATOM 626 O GLN A 41 23.127 -5.743 -30.928 1.00 54.21 O ATOM 627 CB GLN A 41 25.452 -7.292 -29.326 1.00 45.43 C ATOM 628 CG GLN A 41 26.887 -7.392 -29.820 1.00 53.42 C ATOM 629 CD GLN A 41 27.185 -8.723 -30.480 1.00 22.41 C ATOM 630 OE1 GLN A 41 28.133 -9.415 -30.107 1.00 64.14 O ATOM 631 NE2 GLN A 41 26.375 -9.091 -31.466 1.00 42.40 N ATOM 0 H GLN A 41 22.960 -5.540 -28.606 1.00 71.44 H new ATOM 0 HA GLN A 41 25.721 -5.169 -29.120 1.00 21.23 H new ATOM 0 HB2 GLN A 41 25.395 -7.698 -28.316 1.00 45.43 H new ATOM 0 HB3 GLN A 41 24.815 -7.914 -29.956 1.00 45.43 H new ATOM 0 HG2 GLN A 41 27.080 -6.588 -30.530 1.00 53.42 H new ATOM 0 HG3 GLN A 41 27.567 -7.246 -28.981 1.00 53.42 H new ATOM 0 HE21 GLN A 41 25.601 -8.487 -31.743 1.00 42.40 H new ATOM 0 HE22 GLN A 41 26.527 -9.978 -31.946 1.00 42.40 H new ATOM 640 N ASN A 42 25.149 -4.998 -31.573 1.00 72.35 N ATOM 641 CA ASN A 42 24.708 -4.632 -32.914 1.00 54.23 C ATOM 642 C ASN A 42 25.188 -5.651 -33.943 1.00 5.21 C ATOM 643 O ASN A 42 26.312 -6.150 -33.862 1.00 15.23 O ATOM 644 CB ASN A 42 25.223 -3.239 -33.280 1.00 44.45 C ATOM 645 CG ASN A 42 24.571 -2.146 -32.456 1.00 4.51 C ATOM 646 OD1 ASN A 42 24.353 -2.305 -31.255 1.00 22.11 O ATOM 647 ND2 ASN A 42 24.257 -1.027 -33.099 1.00 73.33 N ATOM 0 H ASN A 42 26.135 -4.813 -31.388 1.00 72.35 H new ATOM 0 HA ASN A 42 23.618 -4.623 -32.921 1.00 54.23 H new ATOM 0 HB2 ASN A 42 26.303 -3.204 -33.135 1.00 44.45 H new ATOM 0 HB3 ASN A 42 25.037 -3.052 -34.338 1.00 44.45 H new ATOM 0 HD21 ASN A 42 23.817 -0.256 -32.596 1.00 73.33 H new ATOM 0 HD22 ASN A 42 24.456 -0.938 -34.095 1.00 73.33 H new ATOM 654 N THR A 43 24.331 -5.956 -34.912 1.00 14.23 N ATOM 655 CA THR A 43 24.667 -6.915 -35.956 1.00 73.20 C ATOM 656 C THR A 43 25.325 -6.225 -37.145 1.00 63.42 C ATOM 657 O THR A 43 25.608 -5.028 -37.102 1.00 14.21 O ATOM 658 CB THR A 43 23.418 -7.674 -36.444 1.00 65.42 C ATOM 659 OG1 THR A 43 22.601 -6.811 -37.243 1.00 22.24 O ATOM 660 CG2 THR A 43 22.611 -8.201 -35.268 1.00 14.34 C ATOM 0 H THR A 43 23.398 -5.552 -34.995 1.00 14.23 H new ATOM 0 HA THR A 43 25.368 -7.626 -35.519 1.00 73.20 H new ATOM 0 HB THR A 43 23.747 -8.521 -37.046 1.00 65.42 H new ATOM 0 HG1 THR A 43 21.708 -6.746 -36.845 1.00 22.24 H new ATOM 0 HG21 THR A 43 21.734 -8.733 -35.638 1.00 14.34 H new ATOM 0 HG22 THR A 43 23.227 -8.881 -34.680 1.00 14.34 H new ATOM 0 HG23 THR A 43 22.292 -7.367 -34.643 1.00 14.34 H new ATOM 668 N ASP A 44 25.567 -6.988 -38.206 1.00 11.31 N ATOM 669 CA ASP A 44 26.191 -6.449 -39.409 1.00 2.34 C ATOM 670 C ASP A 44 25.136 -5.955 -40.394 1.00 3.44 C ATOM 671 O ASP A 44 25.399 -5.069 -41.208 1.00 23.52 O ATOM 672 CB ASP A 44 27.069 -7.510 -40.073 1.00 24.33 C ATOM 673 CG ASP A 44 27.910 -8.276 -39.070 1.00 44.21 C ATOM 674 OD1 ASP A 44 28.706 -7.635 -38.352 1.00 64.33 O ATOM 675 OD2 ASP A 44 27.773 -9.516 -39.004 1.00 3.51 O ATOM 0 H ASP A 44 25.341 -7.981 -38.257 1.00 11.31 H new ATOM 0 HA ASP A 44 26.814 -5.604 -39.117 1.00 2.34 H new ATOM 0 HB2 ASP A 44 26.437 -8.209 -40.622 1.00 24.33 H new ATOM 0 HB3 ASP A 44 27.724 -7.032 -40.802 1.00 24.33 H new ATOM 680 N ARG A 45 23.943 -6.533 -40.314 1.00 35.30 N ATOM 681 CA ARG A 45 22.849 -6.153 -41.200 1.00 33.51 C ATOM 682 C ARG A 45 22.403 -4.719 -40.929 1.00 61.44 C ATOM 683 O ARG A 45 22.264 -3.917 -41.852 1.00 24.22 O ATOM 684 CB ARG A 45 21.666 -7.108 -41.024 1.00 24.14 C ATOM 685 CG ARG A 45 20.496 -6.805 -41.945 1.00 64.33 C ATOM 686 CD ARG A 45 20.766 -7.284 -43.363 1.00 73.42 C ATOM 687 NE ARG A 45 19.562 -7.251 -44.190 1.00 23.30 N ATOM 688 CZ ARG A 45 19.533 -7.638 -45.461 1.00 13.15 C ATOM 689 NH1 ARG A 45 20.635 -8.085 -46.047 1.00 13.22 N ATOM 690 NH2 ARG A 45 18.399 -7.578 -46.147 1.00 71.22 N ATOM 0 H ARG A 45 23.709 -7.266 -39.645 1.00 35.30 H new ATOM 0 HA ARG A 45 23.208 -6.216 -42.227 1.00 33.51 H new ATOM 0 HB2 ARG A 45 22.004 -8.129 -41.204 1.00 24.14 H new ATOM 0 HB3 ARG A 45 21.324 -7.063 -39.990 1.00 24.14 H new ATOM 0 HG2 ARG A 45 19.596 -7.286 -41.562 1.00 64.33 H new ATOM 0 HG3 ARG A 45 20.305 -5.732 -41.952 1.00 64.33 H new ATOM 0 HD2 ARG A 45 21.535 -6.659 -43.817 1.00 73.42 H new ATOM 0 HD3 ARG A 45 21.158 -8.301 -43.334 1.00 73.42 H new ATOM 0 HE ARG A 45 18.697 -6.913 -43.769 1.00 23.30 H new ATOM 0 HH11 ARG A 45 21.508 -8.133 -45.522 1.00 13.22 H new ATOM 0 HH12 ARG A 45 20.610 -8.381 -47.023 1.00 13.22 H new ATOM 0 HH21 ARG A 45 17.549 -7.235 -45.699 1.00 71.22 H new ATOM 0 HH22 ARG A 45 18.377 -7.875 -47.123 1.00 71.22 H new ATOM 704 N GLY A 46 22.180 -4.404 -39.657 1.00 74.31 N ATOM 705 CA GLY A 46 21.751 -3.068 -39.288 1.00 43.20 C ATOM 706 C GLY A 46 20.714 -3.076 -38.182 1.00 44.24 C ATOM 707 O GLY A 46 19.730 -2.338 -38.238 1.00 52.01 O ATOM 0 H GLY A 46 22.289 -5.050 -38.875 1.00 74.31 H new ATOM 0 HA2 GLY A 46 22.616 -2.488 -38.966 1.00 43.20 H new ATOM 0 HA3 GLY A 46 21.339 -2.567 -40.164 1.00 43.20 H new ATOM 711 N THR A 47 20.933 -3.914 -37.174 1.00 2.12 N ATOM 712 CA THR A 47 20.009 -4.017 -36.052 1.00 32.41 C ATOM 713 C THR A 47 20.758 -4.199 -34.737 1.00 3.51 C ATOM 714 O THR A 47 21.934 -4.563 -34.726 1.00 2.21 O ATOM 715 CB THR A 47 19.029 -5.192 -36.237 1.00 44.34 C ATOM 716 OG1 THR A 47 19.742 -6.433 -36.208 1.00 61.32 O ATOM 717 CG2 THR A 47 18.275 -5.065 -37.552 1.00 43.24 C ATOM 0 H THR A 47 21.743 -4.531 -37.112 1.00 2.12 H new ATOM 0 HA THR A 47 19.446 -3.084 -36.021 1.00 32.41 H new ATOM 0 HB THR A 47 18.308 -5.168 -35.419 1.00 44.34 H new ATOM 0 HG1 THR A 47 19.112 -7.175 -36.325 1.00 61.32 H new ATOM 0 HG21 THR A 47 17.589 -5.905 -37.661 1.00 43.24 H new ATOM 0 HG22 THR A 47 17.710 -4.133 -37.559 1.00 43.24 H new ATOM 0 HG23 THR A 47 18.984 -5.066 -38.380 1.00 43.24 H new ATOM 725 N VAL A 48 20.070 -3.943 -33.629 1.00 2.43 N ATOM 726 CA VAL A 48 20.671 -4.079 -32.307 1.00 72.32 C ATOM 727 C VAL A 48 19.928 -5.115 -31.471 1.00 23.24 C ATOM 728 O VAL A 48 18.923 -4.806 -30.832 1.00 54.24 O ATOM 729 CB VAL A 48 20.679 -2.737 -31.553 1.00 1.52 C ATOM 730 CG1 VAL A 48 21.373 -2.884 -30.207 1.00 43.04 C ATOM 731 CG2 VAL A 48 21.348 -1.659 -32.392 1.00 3.50 C ATOM 0 H VAL A 48 19.096 -3.640 -33.620 1.00 2.43 H new ATOM 0 HA VAL A 48 21.699 -4.407 -32.459 1.00 72.32 H new ATOM 0 HB VAL A 48 19.647 -2.436 -31.371 1.00 1.52 H new ATOM 0 HG11 VAL A 48 21.369 -1.925 -29.689 1.00 43.04 H new ATOM 0 HG12 VAL A 48 20.846 -3.624 -29.605 1.00 43.04 H new ATOM 0 HG13 VAL A 48 22.402 -3.208 -30.362 1.00 43.04 H new ATOM 0 HG21 VAL A 48 21.345 -0.717 -31.844 1.00 3.50 H new ATOM 0 HG22 VAL A 48 22.376 -1.951 -32.606 1.00 3.50 H new ATOM 0 HG23 VAL A 48 20.803 -1.536 -33.328 1.00 3.50 H new ATOM 741 N GLN A 49 20.432 -6.345 -31.479 1.00 35.34 N ATOM 742 CA GLN A 49 19.815 -7.427 -30.720 1.00 61.31 C ATOM 743 C GLN A 49 19.921 -7.170 -29.221 1.00 23.14 C ATOM 744 O GLN A 49 20.892 -7.570 -28.579 1.00 71.32 O ATOM 745 CB GLN A 49 20.474 -8.763 -31.069 1.00 4.25 C ATOM 746 CG GLN A 49 21.992 -8.731 -30.988 1.00 21.30 C ATOM 747 CD GLN A 49 22.572 -10.001 -30.397 1.00 34.42 C ATOM 748 OE1 GLN A 49 22.871 -10.955 -31.117 1.00 0.54 O ATOM 749 NE2 GLN A 49 22.733 -10.021 -29.079 1.00 23.20 N ATOM 0 H GLN A 49 21.265 -6.617 -32.002 1.00 35.34 H new ATOM 0 HA GLN A 49 18.759 -7.470 -30.988 1.00 61.31 H new ATOM 0 HB2 GLN A 49 20.098 -9.532 -30.394 1.00 4.25 H new ATOM 0 HB3 GLN A 49 20.178 -9.052 -32.077 1.00 4.25 H new ATOM 0 HG2 GLN A 49 22.402 -8.579 -31.986 1.00 21.30 H new ATOM 0 HG3 GLN A 49 22.302 -7.879 -30.383 1.00 21.30 H new ATOM 0 HE21 GLN A 49 22.472 -9.208 -28.521 1.00 23.20 H new ATOM 0 HE22 GLN A 49 23.118 -10.849 -28.625 1.00 23.20 H new ATOM 758 N GLY A 50 18.916 -6.499 -28.667 1.00 53.34 N ATOM 759 CA GLY A 50 18.916 -6.199 -27.247 1.00 71.24 C ATOM 760 C GLY A 50 17.739 -6.823 -26.523 1.00 45.11 C ATOM 761 O GLY A 50 16.639 -6.907 -27.068 1.00 34.11 O ATOM 0 H GLY A 50 18.101 -6.158 -29.177 1.00 53.34 H new ATOM 0 HA2 GLY A 50 19.844 -6.559 -26.803 1.00 71.24 H new ATOM 0 HA3 GLY A 50 18.893 -5.118 -27.107 1.00 71.24 H new ATOM 765 N LYS A 51 17.971 -7.264 -25.291 1.00 43.52 N ATOM 766 CA LYS A 51 16.923 -7.884 -24.490 1.00 12.31 C ATOM 767 C LYS A 51 16.630 -7.056 -23.243 1.00 14.13 C ATOM 768 O LYS A 51 17.516 -6.394 -22.702 1.00 5.11 O ATOM 769 CB LYS A 51 17.331 -9.303 -24.089 1.00 1.14 C ATOM 770 CG LYS A 51 16.372 -9.958 -23.109 1.00 43.24 C ATOM 771 CD LYS A 51 16.882 -11.314 -22.652 1.00 64.11 C ATOM 772 CE LYS A 51 15.764 -12.344 -22.609 1.00 64.52 C ATOM 773 NZ LYS A 51 16.143 -13.541 -21.808 1.00 24.11 N ATOM 0 H LYS A 51 18.877 -7.203 -24.826 1.00 43.52 H new ATOM 0 HA LYS A 51 16.017 -7.931 -25.095 1.00 12.31 H new ATOM 0 HB2 LYS A 51 17.399 -9.920 -24.985 1.00 1.14 H new ATOM 0 HB3 LYS A 51 18.327 -9.274 -23.646 1.00 1.14 H new ATOM 0 HG2 LYS A 51 16.235 -9.309 -22.244 1.00 43.24 H new ATOM 0 HG3 LYS A 51 15.395 -10.075 -23.578 1.00 43.24 H new ATOM 0 HD2 LYS A 51 17.667 -11.655 -23.327 1.00 64.11 H new ATOM 0 HD3 LYS A 51 17.331 -11.221 -21.663 1.00 64.11 H new ATOM 0 HE2 LYS A 51 14.869 -11.891 -22.183 1.00 64.52 H new ATOM 0 HE3 LYS A 51 15.514 -12.651 -23.625 1.00 64.52 H new ATOM 0 HZ1 LYS A 51 15.284 -14.040 -21.502 1.00 24.11 H new ATOM 0 HZ2 LYS A 51 16.725 -14.178 -22.389 1.00 24.11 H new ATOM 0 HZ3 LYS A 51 16.686 -13.242 -20.973 1.00 24.11 H new ATOM 787 N LEU A 52 15.381 -7.098 -22.790 1.00 64.41 N ATOM 788 CA LEU A 52 14.972 -6.353 -21.605 1.00 34.22 C ATOM 789 C LEU A 52 14.435 -7.293 -20.529 1.00 45.33 C ATOM 790 O LEU A 52 13.226 -7.384 -20.319 1.00 4.22 O ATOM 791 CB LEU A 52 13.906 -5.319 -21.972 1.00 2.33 C ATOM 792 CG LEU A 52 14.205 -4.452 -23.195 1.00 65.03 C ATOM 793 CD1 LEU A 52 13.083 -3.453 -23.430 1.00 33.34 C ATOM 794 CD2 LEU A 52 15.535 -3.732 -23.027 1.00 25.14 C ATOM 0 H LEU A 52 14.635 -7.640 -23.226 1.00 64.41 H new ATOM 0 HA LEU A 52 15.848 -5.839 -21.209 1.00 34.22 H new ATOM 0 HB2 LEU A 52 12.965 -5.842 -22.144 1.00 2.33 H new ATOM 0 HB3 LEU A 52 13.754 -4.663 -21.115 1.00 2.33 H new ATOM 0 HG LEU A 52 14.274 -5.102 -24.067 1.00 65.03 H new ATOM 0 HD11 LEU A 52 13.314 -2.845 -24.305 1.00 33.34 H new ATOM 0 HD12 LEU A 52 12.148 -3.988 -23.597 1.00 33.34 H new ATOM 0 HD13 LEU A 52 12.981 -2.808 -22.557 1.00 33.34 H new ATOM 0 HD21 LEU A 52 15.731 -3.120 -23.907 1.00 25.14 H new ATOM 0 HD22 LEU A 52 15.495 -3.095 -22.143 1.00 25.14 H new ATOM 0 HD23 LEU A 52 16.333 -4.465 -22.910 1.00 25.14 H new ATOM 806 N GLN A 53 15.344 -7.987 -19.851 1.00 55.01 N ATOM 807 CA GLN A 53 14.961 -8.918 -18.796 1.00 61.12 C ATOM 808 C GLN A 53 14.628 -8.174 -17.507 1.00 42.34 C ATOM 809 O GLN A 53 15.465 -7.459 -16.957 1.00 63.53 O ATOM 810 CB GLN A 53 16.085 -9.924 -18.542 1.00 44.24 C ATOM 811 CG GLN A 53 15.791 -10.892 -17.408 1.00 51.00 C ATOM 812 CD GLN A 53 14.741 -11.922 -17.777 1.00 42.51 C ATOM 813 OE1 GLN A 53 13.545 -11.628 -17.793 1.00 5.23 O ATOM 814 NE2 GLN A 53 15.184 -13.137 -18.077 1.00 74.11 N ATOM 0 H GLN A 53 16.349 -7.922 -20.013 1.00 55.01 H new ATOM 0 HA GLN A 53 14.070 -9.454 -19.125 1.00 61.12 H new ATOM 0 HB2 GLN A 53 16.266 -10.491 -19.455 1.00 44.24 H new ATOM 0 HB3 GLN A 53 17.003 -9.381 -18.316 1.00 44.24 H new ATOM 0 HG2 GLN A 53 16.711 -11.403 -17.124 1.00 51.00 H new ATOM 0 HG3 GLN A 53 15.454 -10.332 -16.536 1.00 51.00 H new ATOM 0 HE21 GLN A 53 16.184 -13.336 -18.051 1.00 74.11 H new ATOM 0 HE22 GLN A 53 14.524 -13.871 -18.334 1.00 74.11 H new ATOM 823 N GLY A 54 13.399 -8.346 -17.031 1.00 12.31 N ATOM 824 CA GLY A 54 12.977 -7.683 -15.811 1.00 32.34 C ATOM 825 C GLY A 54 11.468 -7.636 -15.668 1.00 64.51 C ATOM 826 O GLY A 54 10.733 -8.280 -16.416 1.00 75.33 O ATOM 0 H GLY A 54 12.688 -8.932 -17.468 1.00 12.31 H new ATOM 0 HA2 GLY A 54 13.404 -8.202 -14.953 1.00 32.34 H new ATOM 0 HA3 GLY A 54 13.372 -6.667 -15.798 1.00 32.34 H new ATOM 830 N PRO A 55 10.987 -6.860 -14.686 1.00 73.21 N ATOM 831 CA PRO A 55 9.552 -6.714 -14.424 1.00 72.41 C ATOM 832 C PRO A 55 8.838 -5.935 -15.523 1.00 60.24 C ATOM 833 O PRO A 55 9.413 -5.031 -16.130 1.00 4.14 O ATOM 834 CB PRO A 55 9.509 -5.939 -13.105 1.00 41.10 C ATOM 835 CG PRO A 55 10.797 -5.191 -13.064 1.00 12.15 C ATOM 836 CD PRO A 55 11.806 -6.065 -13.756 1.00 53.42 C ATOM 0 HA PRO A 55 9.045 -7.678 -14.384 1.00 72.41 H new ATOM 0 HB2 PRO A 55 8.656 -5.261 -13.072 1.00 41.10 H new ATOM 0 HB3 PRO A 55 9.415 -6.612 -12.253 1.00 41.10 H new ATOM 0 HG2 PRO A 55 10.705 -4.228 -13.566 1.00 12.15 H new ATOM 0 HG3 PRO A 55 11.097 -4.987 -12.036 1.00 12.15 H new ATOM 0 HD2 PRO A 55 12.555 -5.474 -14.284 1.00 53.42 H new ATOM 0 HD3 PRO A 55 12.341 -6.699 -13.049 1.00 53.42 H new ATOM 844 N ILE A 56 7.583 -6.291 -15.775 1.00 32.10 N ATOM 845 CA ILE A 56 6.791 -5.623 -16.800 1.00 71.45 C ATOM 846 C ILE A 56 6.546 -4.162 -16.441 1.00 45.34 C ATOM 847 O ILE A 56 6.410 -3.310 -17.320 1.00 65.41 O ATOM 848 CB ILE A 56 5.435 -6.323 -17.009 1.00 13.13 C ATOM 849 CG1 ILE A 56 5.646 -7.786 -17.402 1.00 60.32 C ATOM 850 CG2 ILE A 56 4.621 -5.596 -18.069 1.00 1.11 C ATOM 851 CD1 ILE A 56 4.399 -8.633 -17.273 1.00 41.23 C ATOM 0 H ILE A 56 7.093 -7.038 -15.283 1.00 32.10 H new ATOM 0 HA ILE A 56 7.364 -5.676 -17.725 1.00 71.45 H new ATOM 0 HB ILE A 56 4.881 -6.295 -16.071 1.00 13.13 H new ATOM 0 HG12 ILE A 56 6.000 -7.830 -18.432 1.00 60.32 H new ATOM 0 HG13 ILE A 56 6.431 -8.212 -16.777 1.00 60.32 H new ATOM 0 HG21 ILE A 56 3.666 -6.103 -18.205 1.00 1.11 H new ATOM 0 HG22 ILE A 56 4.445 -4.568 -17.751 1.00 1.11 H new ATOM 0 HG23 ILE A 56 5.169 -5.595 -19.011 1.00 1.11 H new ATOM 0 HD11 ILE A 56 4.623 -9.658 -17.568 1.00 41.23 H new ATOM 0 HD12 ILE A 56 4.056 -8.620 -16.238 1.00 41.23 H new ATOM 0 HD13 ILE A 56 3.618 -8.232 -17.919 1.00 41.23 H new ATOM 863 N SER A 57 6.494 -3.878 -15.144 1.00 54.51 N ATOM 864 CA SER A 57 6.264 -2.519 -14.668 1.00 12.41 C ATOM 865 C SER A 57 7.265 -1.549 -15.289 1.00 55.21 C ATOM 866 O SER A 57 6.974 -0.365 -15.463 1.00 62.14 O ATOM 867 CB SER A 57 6.365 -2.466 -13.142 1.00 62.13 C ATOM 868 OG SER A 57 6.603 -1.144 -12.692 1.00 53.52 O ATOM 0 H SER A 57 6.608 -4.571 -14.404 1.00 54.51 H new ATOM 0 HA SER A 57 5.260 -2.220 -14.969 1.00 12.41 H new ATOM 0 HB2 SER A 57 5.443 -2.843 -12.700 1.00 62.13 H new ATOM 0 HB3 SER A 57 7.170 -3.119 -12.805 1.00 62.13 H new ATOM 0 HG SER A 57 6.662 -1.137 -11.714 1.00 53.52 H new ATOM 874 N LYS A 58 8.445 -2.059 -15.622 1.00 23.44 N ATOM 875 CA LYS A 58 9.491 -1.241 -16.225 1.00 33.43 C ATOM 876 C LYS A 58 9.591 -1.505 -17.724 1.00 14.42 C ATOM 877 O LYS A 58 9.810 -0.585 -18.512 1.00 71.05 O ATOM 878 CB LYS A 58 10.838 -1.524 -15.556 1.00 13.04 C ATOM 879 CG LYS A 58 11.112 -0.647 -14.346 1.00 60.02 C ATOM 880 CD LYS A 58 10.326 -1.111 -13.131 1.00 53.44 C ATOM 881 CE LYS A 58 10.796 -0.414 -11.864 1.00 1.21 C ATOM 882 NZ LYS A 58 11.993 -1.078 -11.277 1.00 73.12 N ATOM 0 H LYS A 58 8.702 -3.037 -15.484 1.00 23.44 H new ATOM 0 HA LYS A 58 9.230 -0.193 -16.074 1.00 33.43 H new ATOM 0 HB2 LYS A 58 10.870 -2.570 -15.251 1.00 13.04 H new ATOM 0 HB3 LYS A 58 11.634 -1.380 -16.286 1.00 13.04 H new ATOM 0 HG2 LYS A 58 12.178 -0.662 -14.118 1.00 60.02 H new ATOM 0 HG3 LYS A 58 10.850 0.386 -14.577 1.00 60.02 H new ATOM 0 HD2 LYS A 58 9.265 -0.912 -13.285 1.00 53.44 H new ATOM 0 HD3 LYS A 58 10.435 -2.189 -13.016 1.00 53.44 H new ATOM 0 HE2 LYS A 58 11.031 0.627 -12.088 1.00 1.21 H new ATOM 0 HE3 LYS A 58 9.988 -0.408 -11.132 1.00 1.21 H new ATOM 0 HZ1 LYS A 58 12.026 -0.894 -10.254 1.00 73.12 H new ATOM 0 HZ2 LYS A 58 11.937 -2.103 -11.442 1.00 73.12 H new ATOM 0 HZ3 LYS A 58 12.853 -0.701 -11.724 1.00 73.12 H new ATOM 896 N VAL A 59 9.427 -2.766 -18.111 1.00 0.31 N ATOM 897 CA VAL A 59 9.496 -3.149 -19.516 1.00 22.21 C ATOM 898 C VAL A 59 8.539 -2.317 -20.361 1.00 14.53 C ATOM 899 O VAL A 59 8.774 -2.096 -21.549 1.00 2.33 O ATOM 900 CB VAL A 59 9.167 -4.642 -19.707 1.00 40.31 C ATOM 901 CG1 VAL A 59 9.213 -5.014 -21.181 1.00 73.12 C ATOM 902 CG2 VAL A 59 10.125 -5.506 -18.901 1.00 13.35 C ATOM 0 H VAL A 59 9.245 -3.539 -17.471 1.00 0.31 H new ATOM 0 HA VAL A 59 10.519 -2.964 -19.844 1.00 22.21 H new ATOM 0 HB VAL A 59 8.156 -4.823 -19.342 1.00 40.31 H new ATOM 0 HG11 VAL A 59 8.978 -6.072 -21.297 1.00 73.12 H new ATOM 0 HG12 VAL A 59 8.483 -4.418 -21.730 1.00 73.12 H new ATOM 0 HG13 VAL A 59 10.211 -4.819 -21.575 1.00 73.12 H new ATOM 0 HG21 VAL A 59 9.878 -6.557 -19.048 1.00 13.35 H new ATOM 0 HG22 VAL A 59 11.147 -5.324 -19.233 1.00 13.35 H new ATOM 0 HG23 VAL A 59 10.038 -5.257 -17.843 1.00 13.35 H new ATOM 912 N ARG A 60 7.458 -1.856 -19.739 1.00 74.35 N ATOM 913 CA ARG A 60 6.463 -1.048 -20.435 1.00 1.15 C ATOM 914 C ARG A 60 7.073 0.262 -20.925 1.00 65.32 C ATOM 915 O ARG A 60 6.626 0.831 -21.920 1.00 64.12 O ATOM 916 CB ARG A 60 5.277 -0.757 -19.513 1.00 42.41 C ATOM 917 CG ARG A 60 4.400 -1.969 -19.248 1.00 13.02 C ATOM 918 CD ARG A 60 3.412 -2.200 -20.380 1.00 54.04 C ATOM 919 NE ARG A 60 2.367 -1.180 -20.412 1.00 33.13 N ATOM 920 CZ ARG A 60 1.202 -1.340 -21.031 1.00 3.33 C ATOM 921 NH1 ARG A 60 0.935 -2.472 -21.666 1.00 22.40 N ATOM 922 NH2 ARG A 60 0.302 -0.365 -21.014 1.00 72.25 N ATOM 0 H ARG A 60 7.249 -2.028 -18.756 1.00 74.35 H new ATOM 0 HA ARG A 60 6.113 -1.612 -21.300 1.00 1.15 H new ATOM 0 HB2 ARG A 60 5.651 -0.375 -18.563 1.00 42.41 H new ATOM 0 HB3 ARG A 60 4.668 0.031 -19.956 1.00 42.41 H new ATOM 0 HG2 ARG A 60 5.026 -2.853 -19.124 1.00 13.02 H new ATOM 0 HG3 ARG A 60 3.857 -1.829 -18.313 1.00 13.02 H new ATOM 0 HD2 ARG A 60 3.945 -2.203 -21.331 1.00 54.04 H new ATOM 0 HD3 ARG A 60 2.955 -3.183 -20.267 1.00 54.04 H new ATOM 0 HE ARG A 60 2.541 -0.296 -19.933 1.00 33.13 H new ATOM 0 HH11 ARG A 60 1.625 -3.223 -21.681 1.00 22.40 H new ATOM 0 HH12 ARG A 60 0.040 -2.592 -22.140 1.00 22.40 H new ATOM 0 HH21 ARG A 60 0.504 0.507 -20.526 1.00 72.25 H new ATOM 0 HH22 ARG A 60 -0.592 -0.488 -21.489 1.00 72.25 H new ATOM 936 N GLU A 61 8.097 0.733 -20.219 1.00 74.02 N ATOM 937 CA GLU A 61 8.767 1.976 -20.583 1.00 14.02 C ATOM 938 C GLU A 61 10.047 1.696 -21.365 1.00 34.52 C ATOM 939 O GLU A 61 10.351 2.378 -22.342 1.00 42.04 O ATOM 940 CB GLU A 61 9.090 2.793 -19.330 1.00 31.41 C ATOM 941 CG GLU A 61 7.877 3.079 -18.460 1.00 62.03 C ATOM 942 CD GLU A 61 7.088 4.283 -18.938 1.00 23.33 C ATOM 943 OE1 GLU A 61 6.904 4.422 -20.165 1.00 65.12 O ATOM 944 OE2 GLU A 61 6.655 5.085 -18.085 1.00 1.22 O ATOM 0 H GLU A 61 8.480 0.273 -19.393 1.00 74.02 H new ATOM 0 HA GLU A 61 8.092 2.550 -21.218 1.00 14.02 H new ATOM 0 HB2 GLU A 61 9.832 2.257 -18.739 1.00 31.41 H new ATOM 0 HB3 GLU A 61 9.543 3.738 -19.630 1.00 31.41 H new ATOM 0 HG2 GLU A 61 7.227 2.204 -18.450 1.00 62.03 H new ATOM 0 HG3 GLU A 61 8.202 3.246 -17.433 1.00 62.03 H new ATOM 951 N MET A 62 10.792 0.687 -20.926 1.00 21.42 N ATOM 952 CA MET A 62 12.039 0.315 -21.585 1.00 10.15 C ATOM 953 C MET A 62 11.786 -0.107 -23.029 1.00 2.45 C ATOM 954 O MET A 62 12.661 0.025 -23.884 1.00 54.44 O ATOM 955 CB MET A 62 12.725 -0.820 -20.822 1.00 70.11 C ATOM 956 CG MET A 62 14.235 -0.844 -20.996 1.00 52.42 C ATOM 957 SD MET A 62 15.098 0.061 -19.697 1.00 61.10 S ATOM 958 CE MET A 62 14.902 1.746 -20.271 1.00 5.34 C ATOM 0 H MET A 62 10.554 0.113 -20.117 1.00 21.42 H new ATOM 0 HA MET A 62 12.693 1.187 -21.589 1.00 10.15 H new ATOM 0 HB2 MET A 62 12.491 -0.727 -19.761 1.00 70.11 H new ATOM 0 HB3 MET A 62 12.314 -1.772 -21.157 1.00 70.11 H new ATOM 0 HG2 MET A 62 14.580 -1.878 -21.004 1.00 52.42 H new ATOM 0 HG3 MET A 62 14.492 -0.415 -21.965 1.00 52.42 H new ATOM 0 HE1 MET A 62 15.653 2.380 -19.801 1.00 5.34 H new ATOM 0 HE2 MET A 62 15.026 1.778 -21.353 1.00 5.34 H new ATOM 0 HE3 MET A 62 13.907 2.106 -20.009 1.00 5.34 H new ATOM 968 N GLN A 63 10.586 -0.614 -23.291 1.00 1.02 N ATOM 969 CA GLN A 63 10.220 -1.056 -24.631 1.00 44.44 C ATOM 970 C GLN A 63 10.018 0.136 -25.561 1.00 0.50 C ATOM 971 O GLN A 63 10.323 0.068 -26.752 1.00 23.12 O ATOM 972 CB GLN A 63 8.947 -1.902 -24.583 1.00 12.51 C ATOM 973 CG GLN A 63 7.704 -1.110 -24.208 1.00 4.30 C ATOM 974 CD GLN A 63 6.445 -1.954 -24.231 1.00 44.24 C ATOM 975 OE1 GLN A 63 6.372 -2.999 -23.584 1.00 4.41 O ATOM 976 NE2 GLN A 63 5.445 -1.504 -24.980 1.00 32.12 N ATOM 0 H GLN A 63 9.851 -0.729 -22.593 1.00 1.02 H new ATOM 0 HA GLN A 63 11.036 -1.664 -25.021 1.00 44.44 H new ATOM 0 HB2 GLN A 63 8.792 -2.366 -25.557 1.00 12.51 H new ATOM 0 HB3 GLN A 63 9.084 -2.709 -23.864 1.00 12.51 H new ATOM 0 HG2 GLN A 63 7.835 -0.686 -23.212 1.00 4.30 H new ATOM 0 HG3 GLN A 63 7.589 -0.274 -24.898 1.00 4.30 H new ATOM 0 HE21 GLN A 63 5.549 -0.633 -25.500 1.00 32.12 H new ATOM 0 HE22 GLN A 63 4.573 -2.030 -25.035 1.00 32.12 H new ATOM 985 N LYS A 64 9.501 1.229 -25.010 1.00 12.24 N ATOM 986 CA LYS A 64 9.258 2.438 -25.788 1.00 71.11 C ATOM 987 C LYS A 64 10.551 3.218 -25.999 1.00 3.52 C ATOM 988 O LYS A 64 10.685 3.967 -26.967 1.00 74.21 O ATOM 989 CB LYS A 64 8.225 3.322 -25.086 1.00 53.22 C ATOM 990 CG LYS A 64 7.239 3.978 -26.038 1.00 11.14 C ATOM 991 CD LYS A 64 6.172 2.999 -26.497 1.00 72.03 C ATOM 992 CE LYS A 64 5.669 3.337 -27.892 1.00 53.42 C ATOM 993 NZ LYS A 64 5.043 4.688 -27.944 1.00 20.22 N ATOM 0 H LYS A 64 9.242 1.302 -24.026 1.00 12.24 H new ATOM 0 HA LYS A 64 8.870 2.141 -26.763 1.00 71.11 H new ATOM 0 HB2 LYS A 64 7.674 2.719 -24.364 1.00 53.22 H new ATOM 0 HB3 LYS A 64 8.745 4.097 -24.523 1.00 53.22 H new ATOM 0 HG2 LYS A 64 6.767 4.828 -25.545 1.00 11.14 H new ATOM 0 HG3 LYS A 64 7.773 4.368 -26.904 1.00 11.14 H new ATOM 0 HD2 LYS A 64 6.578 1.987 -26.491 1.00 72.03 H new ATOM 0 HD3 LYS A 64 5.338 3.012 -25.795 1.00 72.03 H new ATOM 0 HE2 LYS A 64 6.499 3.294 -28.598 1.00 53.42 H new ATOM 0 HE3 LYS A 64 4.943 2.588 -28.208 1.00 53.42 H new ATOM 0 HZ1 LYS A 64 4.653 4.853 -28.894 1.00 20.22 H new ATOM 0 HZ2 LYS A 64 4.279 4.744 -27.241 1.00 20.22 H new ATOM 0 HZ3 LYS A 64 5.760 5.411 -27.734 1.00 20.22 H new ATOM 1007 N TRP A 65 11.501 3.038 -25.088 1.00 73.20 N ATOM 1008 CA TRP A 65 12.784 3.725 -25.176 1.00 24.31 C ATOM 1009 C TRP A 65 13.633 3.150 -26.305 1.00 10.50 C ATOM 1010 O TRP A 65 14.527 3.819 -26.825 1.00 1.41 O ATOM 1011 CB TRP A 65 13.537 3.614 -23.849 1.00 10.32 C ATOM 1012 CG TRP A 65 13.274 4.761 -22.920 1.00 23.22 C ATOM 1013 CD1 TRP A 65 12.437 4.766 -21.841 1.00 22.02 C ATOM 1014 CD2 TRP A 65 13.851 6.070 -22.989 1.00 74.54 C ATOM 1015 NE1 TRP A 65 12.458 5.999 -21.235 1.00 44.33 N ATOM 1016 CE2 TRP A 65 13.318 6.816 -21.920 1.00 43.53 C ATOM 1017 CE3 TRP A 65 14.766 6.683 -23.849 1.00 72.52 C ATOM 1018 CZ2 TRP A 65 13.671 8.144 -21.691 1.00 62.35 C ATOM 1019 CZ3 TRP A 65 15.115 8.000 -23.621 1.00 72.00 C ATOM 1020 CH2 TRP A 65 14.569 8.719 -22.549 1.00 63.20 C ATOM 0 H TRP A 65 11.407 2.422 -24.280 1.00 73.20 H new ATOM 0 HA TRP A 65 12.591 4.776 -25.390 1.00 24.31 H new ATOM 0 HB2 TRP A 65 13.255 2.684 -23.356 1.00 10.32 H new ATOM 0 HB3 TRP A 65 14.607 3.556 -24.050 1.00 10.32 H new ATOM 0 HD1 TRP A 65 11.845 3.924 -21.512 1.00 22.02 H new ATOM 0 HE1 TRP A 65 11.921 6.263 -20.409 1.00 44.33 H new ATOM 0 HE3 TRP A 65 15.193 6.137 -24.677 1.00 72.52 H new ATOM 0 HZ2 TRP A 65 13.251 8.700 -20.866 1.00 62.35 H new ATOM 0 HZ3 TRP A 65 15.821 8.484 -24.280 1.00 72.00 H new ATOM 0 HH2 TRP A 65 14.863 9.747 -22.397 1.00 63.20 H new ATOM 1031 N LEU A 66 13.348 1.909 -26.680 1.00 60.54 N ATOM 1032 CA LEU A 66 14.086 1.244 -27.749 1.00 54.14 C ATOM 1033 C LEU A 66 13.198 1.029 -28.971 1.00 60.40 C ATOM 1034 O LEU A 66 13.534 0.251 -29.864 1.00 13.40 O ATOM 1035 CB LEU A 66 14.634 -0.097 -27.260 1.00 71.40 C ATOM 1036 CG LEU A 66 16.064 -0.081 -26.718 1.00 53.23 C ATOM 1037 CD1 LEU A 66 16.310 -1.286 -25.824 1.00 13.11 C ATOM 1038 CD2 LEU A 66 17.067 -0.050 -27.862 1.00 40.51 C ATOM 0 H LEU A 66 12.611 1.342 -26.260 1.00 60.54 H new ATOM 0 HA LEU A 66 14.919 1.886 -28.036 1.00 54.14 H new ATOM 0 HB2 LEU A 66 13.975 -0.473 -26.478 1.00 71.40 H new ATOM 0 HB3 LEU A 66 14.587 -0.808 -28.085 1.00 71.40 H new ATOM 0 HG LEU A 66 16.196 0.821 -26.121 1.00 53.23 H new ATOM 0 HD11 LEU A 66 17.333 -1.257 -25.448 1.00 13.11 H new ATOM 0 HD12 LEU A 66 15.614 -1.265 -24.985 1.00 13.11 H new ATOM 0 HD13 LEU A 66 16.160 -2.201 -26.397 1.00 13.11 H new ATOM 0 HD21 LEU A 66 18.079 -0.039 -27.458 1.00 40.51 H new ATOM 0 HD22 LEU A 66 16.935 -0.934 -28.486 1.00 40.51 H new ATOM 0 HD23 LEU A 66 16.906 0.845 -28.463 1.00 40.51 H new ATOM 1050 N GLU A 67 12.065 1.724 -29.003 1.00 64.24 N ATOM 1051 CA GLU A 67 11.131 1.609 -30.117 1.00 33.43 C ATOM 1052 C GLU A 67 11.239 2.815 -31.045 1.00 65.33 C ATOM 1053 O GLU A 67 11.402 2.668 -32.257 1.00 72.32 O ATOM 1054 CB GLU A 67 9.697 1.479 -29.597 1.00 24.00 C ATOM 1055 CG GLU A 67 8.663 1.315 -30.698 1.00 42.00 C ATOM 1056 CD GLU A 67 7.420 0.587 -30.227 1.00 34.25 C ATOM 1057 OE1 GLU A 67 7.114 0.658 -29.018 1.00 33.13 O ATOM 1058 OE2 GLU A 67 6.753 -0.054 -31.065 1.00 54.04 O ATOM 0 H GLU A 67 11.772 2.372 -28.271 1.00 64.24 H new ATOM 0 HA GLU A 67 11.388 0.713 -30.682 1.00 33.43 H new ATOM 0 HB2 GLU A 67 9.639 0.622 -28.925 1.00 24.00 H new ATOM 0 HB3 GLU A 67 9.451 2.363 -29.008 1.00 24.00 H new ATOM 0 HG2 GLU A 67 8.382 2.298 -31.077 1.00 42.00 H new ATOM 0 HG3 GLU A 67 9.107 0.768 -31.530 1.00 42.00 H new ATOM 1065 N THR A 68 11.148 4.009 -30.468 1.00 63.11 N ATOM 1066 CA THR A 68 11.234 5.241 -31.242 1.00 64.44 C ATOM 1067 C THR A 68 12.328 6.155 -30.701 1.00 73.24 C ATOM 1068 O THR A 68 13.007 6.844 -31.463 1.00 14.03 O ATOM 1069 CB THR A 68 9.895 6.002 -31.238 1.00 24.15 C ATOM 1070 OG1 THR A 68 10.064 7.294 -31.832 1.00 61.41 O ATOM 1071 CG2 THR A 68 9.366 6.156 -29.820 1.00 34.11 C ATOM 0 H THR A 68 11.015 4.149 -29.466 1.00 63.11 H new ATOM 0 HA THR A 68 11.477 4.955 -32.265 1.00 64.44 H new ATOM 0 HB THR A 68 9.173 5.427 -31.819 1.00 24.15 H new ATOM 0 HG1 THR A 68 9.208 7.771 -31.827 1.00 61.41 H new ATOM 0 HG21 THR A 68 8.420 6.696 -29.841 1.00 34.11 H new ATOM 0 HG22 THR A 68 9.211 5.171 -29.380 1.00 34.11 H new ATOM 0 HG23 THR A 68 10.087 6.711 -29.221 1.00 34.11 H new ATOM 1079 N ARG A 69 12.493 6.155 -29.383 1.00 4.33 N ATOM 1080 CA ARG A 69 13.505 6.986 -28.740 1.00 73.21 C ATOM 1081 C ARG A 69 14.887 6.707 -29.322 1.00 64.22 C ATOM 1082 O ARG A 69 15.428 7.513 -30.078 1.00 3.24 O ATOM 1083 CB ARG A 69 13.516 6.737 -27.231 1.00 15.23 C ATOM 1084 CG ARG A 69 12.675 7.730 -26.444 1.00 60.30 C ATOM 1085 CD ARG A 69 13.343 9.094 -26.375 1.00 61.00 C ATOM 1086 NE ARG A 69 12.724 9.956 -25.372 1.00 3.41 N ATOM 1087 CZ ARG A 69 12.982 11.255 -25.259 1.00 73.33 C ATOM 1088 NH1 ARG A 69 13.841 11.837 -26.084 1.00 1.42 N ATOM 1089 NH2 ARG A 69 12.379 11.973 -24.321 1.00 35.13 N ATOM 0 H ARG A 69 11.940 5.590 -28.739 1.00 4.33 H new ATOM 0 HA ARG A 69 13.255 8.030 -28.927 1.00 73.21 H new ATOM 0 HB2 ARG A 69 13.151 5.729 -27.035 1.00 15.23 H new ATOM 0 HB3 ARG A 69 14.544 6.779 -26.872 1.00 15.23 H new ATOM 0 HG2 ARG A 69 11.694 7.827 -26.910 1.00 60.30 H new ATOM 0 HG3 ARG A 69 12.513 7.352 -25.435 1.00 60.30 H new ATOM 0 HD2 ARG A 69 14.400 8.968 -26.142 1.00 61.00 H new ATOM 0 HD3 ARG A 69 13.286 9.575 -27.351 1.00 61.00 H new ATOM 0 HE ARG A 69 12.057 9.539 -24.723 1.00 3.41 H new ATOM 0 HH11 ARG A 69 14.305 11.288 -26.807 1.00 1.42 H new ATOM 0 HH12 ARG A 69 14.038 12.834 -25.996 1.00 1.42 H new ATOM 0 HH21 ARG A 69 11.717 11.528 -23.685 1.00 35.13 H new ATOM 0 HH22 ARG A 69 12.578 12.970 -24.235 1.00 35.13 H new ATOM 1103 N GLY A 70 15.454 5.558 -28.964 1.00 41.52 N ATOM 1104 CA GLY A 70 16.769 5.194 -29.459 1.00 74.14 C ATOM 1105 C GLY A 70 17.824 6.227 -29.118 1.00 11.11 C ATOM 1106 O GLY A 70 17.622 7.063 -28.238 1.00 15.53 O ATOM 0 H GLY A 70 15.026 4.874 -28.340 1.00 41.52 H new ATOM 0 HA2 GLY A 70 17.058 4.231 -29.038 1.00 74.14 H new ATOM 0 HA3 GLY A 70 16.724 5.068 -30.541 1.00 74.14 H new ATOM 1110 N SER A 71 18.954 6.169 -29.815 1.00 23.24 N ATOM 1111 CA SER A 71 20.048 7.103 -29.577 1.00 0.44 C ATOM 1112 C SER A 71 19.975 8.282 -30.542 1.00 41.24 C ATOM 1113 O SER A 71 19.319 8.226 -31.582 1.00 55.04 O ATOM 1114 CB SER A 71 21.395 6.393 -29.722 1.00 60.22 C ATOM 1115 OG SER A 71 22.122 6.424 -28.506 1.00 42.14 O ATOM 0 H SER A 71 19.136 5.485 -30.549 1.00 23.24 H new ATOM 0 HA SER A 71 19.954 7.482 -28.559 1.00 0.44 H new ATOM 0 HB2 SER A 71 21.234 5.359 -30.026 1.00 60.22 H new ATOM 0 HB3 SER A 71 21.978 6.870 -30.510 1.00 60.22 H new ATOM 0 HG SER A 71 22.978 5.962 -28.625 1.00 42.14 H new ATOM 1121 N PRO A 72 20.666 9.377 -30.191 1.00 52.14 N ATOM 1122 CA PRO A 72 20.696 10.591 -31.013 1.00 24.11 C ATOM 1123 C PRO A 72 21.476 10.395 -32.308 1.00 64.44 C ATOM 1124 O PRO A 72 21.113 10.940 -33.350 1.00 63.51 O ATOM 1125 CB PRO A 72 21.401 11.610 -30.114 1.00 12.02 C ATOM 1126 CG PRO A 72 22.235 10.789 -29.192 1.00 42.22 C ATOM 1127 CD PRO A 72 21.471 9.514 -28.966 1.00 15.41 C ATOM 0 HA PRO A 72 19.697 10.896 -31.326 1.00 24.11 H new ATOM 0 HB2 PRO A 72 22.015 12.296 -30.698 1.00 12.02 H new ATOM 0 HB3 PRO A 72 20.682 12.216 -29.563 1.00 12.02 H new ATOM 0 HG2 PRO A 72 23.213 10.586 -29.628 1.00 42.22 H new ATOM 0 HG3 PRO A 72 22.407 11.312 -28.252 1.00 42.22 H new ATOM 0 HD2 PRO A 72 22.139 8.664 -28.827 1.00 15.41 H new ATOM 0 HD3 PRO A 72 20.843 9.574 -28.077 1.00 15.41 H new ATOM 1135 N GLU A 73 22.549 9.613 -32.235 1.00 60.44 N ATOM 1136 CA GLU A 73 23.380 9.346 -33.404 1.00 32.44 C ATOM 1137 C GLU A 73 22.649 8.446 -34.397 1.00 3.14 C ATOM 1138 O GLU A 73 22.583 8.745 -35.589 1.00 12.12 O ATOM 1139 CB GLU A 73 24.698 8.693 -32.981 1.00 72.04 C ATOM 1140 CG GLU A 73 25.710 9.675 -32.416 1.00 52.42 C ATOM 1141 CD GLU A 73 25.523 9.915 -30.930 1.00 64.15 C ATOM 1142 OE1 GLU A 73 25.172 8.955 -30.214 1.00 22.34 O ATOM 1143 OE2 GLU A 73 25.729 11.063 -30.485 1.00 2.40 O ATOM 0 H GLU A 73 22.863 9.154 -31.380 1.00 60.44 H new ATOM 0 HA GLU A 73 23.594 10.297 -33.892 1.00 32.44 H new ATOM 0 HB2 GLU A 73 24.491 7.927 -32.233 1.00 72.04 H new ATOM 0 HB3 GLU A 73 25.136 8.188 -33.842 1.00 72.04 H new ATOM 0 HG2 GLU A 73 26.717 9.297 -32.595 1.00 52.42 H new ATOM 0 HG3 GLU A 73 25.626 10.623 -32.947 1.00 52.42 H new ATOM 1150 N SER A 74 22.103 7.343 -33.896 1.00 22.34 N ATOM 1151 CA SER A 74 21.381 6.397 -34.738 1.00 62.43 C ATOM 1152 C SER A 74 19.904 6.767 -34.828 1.00 72.40 C ATOM 1153 O SER A 74 19.443 7.697 -34.165 1.00 65.22 O ATOM 1154 CB SER A 74 21.531 4.976 -34.190 1.00 55.04 C ATOM 1155 OG SER A 74 21.921 4.993 -32.828 1.00 52.22 O ATOM 0 H SER A 74 22.147 7.082 -32.911 1.00 22.34 H new ATOM 0 HA SER A 74 21.809 6.439 -35.739 1.00 62.43 H new ATOM 0 HB2 SER A 74 20.587 4.441 -34.295 1.00 55.04 H new ATOM 0 HB3 SER A 74 22.272 4.433 -34.777 1.00 55.04 H new ATOM 0 HG SER A 74 21.123 5.003 -32.259 1.00 52.22 H new ATOM 1161 N HIS A 75 19.165 6.031 -35.653 1.00 42.41 N ATOM 1162 CA HIS A 75 17.739 6.281 -35.830 1.00 60.23 C ATOM 1163 C HIS A 75 16.966 4.969 -35.931 1.00 4.02 C ATOM 1164 O HIS A 75 17.514 3.945 -36.341 1.00 0.15 O ATOM 1165 CB HIS A 75 17.499 7.125 -37.082 1.00 61.35 C ATOM 1166 CG HIS A 75 16.121 7.707 -37.157 1.00 62.04 C ATOM 1167 ND1 HIS A 75 15.648 8.639 -36.258 1.00 30.32 N ATOM 1168 CD2 HIS A 75 15.113 7.486 -38.033 1.00 41.03 C ATOM 1169 CE1 HIS A 75 14.408 8.964 -36.576 1.00 52.40 C ATOM 1170 NE2 HIS A 75 14.060 8.279 -37.650 1.00 54.12 N ATOM 0 H HIS A 75 19.530 5.258 -36.209 1.00 42.41 H new ATOM 0 HA HIS A 75 17.380 6.828 -34.958 1.00 60.23 H new ATOM 0 HB2 HIS A 75 18.228 7.935 -37.110 1.00 61.35 H new ATOM 0 HB3 HIS A 75 17.673 6.509 -37.964 1.00 61.35 H new ATOM 0 HD2 HIS A 75 15.133 6.811 -38.876 1.00 41.03 H new ATOM 0 HE1 HIS A 75 13.785 9.670 -36.047 1.00 52.40 H new ATOM 0 HE2 HIS A 75 13.156 8.331 -38.119 1.00 54.12 H new ATOM 1178 N ILE A 76 15.693 5.008 -35.554 1.00 31.33 N ATOM 1179 CA ILE A 76 14.846 3.822 -35.602 1.00 1.31 C ATOM 1180 C ILE A 76 13.584 4.081 -36.417 1.00 51.25 C ATOM 1181 O ILE A 76 12.594 4.599 -35.901 1.00 11.34 O ATOM 1182 CB ILE A 76 14.445 3.359 -34.189 1.00 12.20 C ATOM 1183 CG1 ILE A 76 15.691 3.053 -33.356 1.00 21.12 C ATOM 1184 CG2 ILE A 76 13.541 2.138 -34.269 1.00 11.14 C ATOM 1185 CD1 ILE A 76 15.447 3.098 -31.864 1.00 35.32 C ATOM 0 H ILE A 76 15.225 5.847 -35.212 1.00 31.33 H new ATOM 0 HA ILE A 76 15.430 3.036 -36.081 1.00 1.31 H new ATOM 0 HB ILE A 76 13.894 4.163 -33.701 1.00 12.20 H new ATOM 0 HG12 ILE A 76 16.064 2.065 -33.625 1.00 21.12 H new ATOM 0 HG13 ILE A 76 16.473 3.769 -33.610 1.00 21.12 H new ATOM 0 HG21 ILE A 76 13.266 1.822 -33.263 1.00 11.14 H new ATOM 0 HG22 ILE A 76 12.640 2.388 -34.830 1.00 11.14 H new ATOM 0 HG23 ILE A 76 14.068 1.327 -34.772 1.00 11.14 H new ATOM 0 HD11 ILE A 76 16.374 2.871 -31.337 1.00 35.32 H new ATOM 0 HD12 ILE A 76 15.103 4.093 -31.581 1.00 35.32 H new ATOM 0 HD13 ILE A 76 14.688 2.362 -31.597 1.00 35.32 H new ATOM 1197 N ASP A 77 13.626 3.716 -37.694 1.00 33.41 N ATOM 1198 CA ASP A 77 12.484 3.905 -38.581 1.00 42.34 C ATOM 1199 C ASP A 77 11.367 2.921 -38.248 1.00 1.42 C ATOM 1200 O ASP A 77 10.196 3.178 -38.526 1.00 75.43 O ATOM 1201 CB ASP A 77 12.911 3.736 -40.040 1.00 64.41 C ATOM 1202 CG ASP A 77 11.988 4.457 -41.002 1.00 13.14 C ATOM 1203 OD1 ASP A 77 12.169 5.677 -41.195 1.00 13.33 O ATOM 1204 OD2 ASP A 77 11.083 3.802 -41.560 1.00 60.34 O ATOM 0 H ASP A 77 14.438 3.288 -38.138 1.00 33.41 H new ATOM 0 HA ASP A 77 12.107 4.917 -38.435 1.00 42.34 H new ATOM 0 HB2 ASP A 77 13.926 4.113 -40.164 1.00 64.41 H new ATOM 0 HB3 ASP A 77 12.932 2.675 -40.288 1.00 64.41 H new ATOM 1209 N LYS A 78 11.738 1.794 -37.651 1.00 33.15 N ATOM 1210 CA LYS A 78 10.768 0.770 -37.278 1.00 42.32 C ATOM 1211 C LYS A 78 11.371 -0.212 -36.280 1.00 20.55 C ATOM 1212 O LYS A 78 12.568 -0.494 -36.318 1.00 23.54 O ATOM 1213 CB LYS A 78 10.286 0.019 -38.521 1.00 51.23 C ATOM 1214 CG LYS A 78 11.406 -0.368 -39.471 1.00 24.44 C ATOM 1215 CD LYS A 78 10.999 -1.522 -40.372 1.00 44.33 C ATOM 1216 CE LYS A 78 12.058 -1.805 -41.427 1.00 50.12 C ATOM 1217 NZ LYS A 78 13.374 -2.141 -40.816 1.00 73.43 N ATOM 0 H LYS A 78 12.704 1.566 -37.415 1.00 33.15 H new ATOM 0 HA LYS A 78 9.918 1.264 -36.807 1.00 42.32 H new ATOM 0 HB2 LYS A 78 9.758 -0.882 -38.209 1.00 51.23 H new ATOM 0 HB3 LYS A 78 9.567 0.641 -39.055 1.00 51.23 H new ATOM 0 HG2 LYS A 78 11.680 0.492 -40.082 1.00 24.44 H new ATOM 0 HG3 LYS A 78 12.290 -0.647 -38.898 1.00 24.44 H new ATOM 0 HD2 LYS A 78 10.836 -2.416 -39.769 1.00 44.33 H new ATOM 0 HD3 LYS A 78 10.052 -1.289 -40.859 1.00 44.33 H new ATOM 0 HE2 LYS A 78 11.730 -2.630 -42.059 1.00 50.12 H new ATOM 0 HE3 LYS A 78 12.169 -0.934 -42.073 1.00 50.12 H new ATOM 0 HZ1 LYS A 78 13.935 -2.704 -41.487 1.00 73.43 H new ATOM 0 HZ2 LYS A 78 13.885 -1.264 -40.588 1.00 73.43 H new ATOM 0 HZ3 LYS A 78 13.223 -2.690 -39.946 1.00 73.43 H new ATOM 1231 N ALA A 79 10.533 -0.732 -35.388 1.00 4.51 N ATOM 1232 CA ALA A 79 10.983 -1.685 -34.382 1.00 24.42 C ATOM 1233 C ALA A 79 9.887 -2.693 -34.051 1.00 44.22 C ATOM 1234 O ALA A 79 8.746 -2.548 -34.487 1.00 42.21 O ATOM 1235 CB ALA A 79 11.428 -0.955 -33.124 1.00 4.25 C ATOM 0 H ALA A 79 9.539 -0.509 -35.342 1.00 4.51 H new ATOM 0 HA ALA A 79 11.833 -2.232 -34.791 1.00 24.42 H new ATOM 0 HB1 ALA A 79 11.761 -1.680 -32.381 1.00 4.25 H new ATOM 0 HB2 ALA A 79 12.249 -0.280 -33.366 1.00 4.25 H new ATOM 0 HB3 ALA A 79 10.593 -0.381 -32.722 1.00 4.25 H new ATOM 1241 N ASN A 80 10.242 -3.714 -33.279 1.00 24.35 N ATOM 1242 CA ASN A 80 9.288 -4.747 -32.891 1.00 4.13 C ATOM 1243 C ASN A 80 9.917 -5.726 -31.904 1.00 3.55 C ATOM 1244 O ASN A 80 11.127 -5.704 -31.677 1.00 3.22 O ATOM 1245 CB ASN A 80 8.791 -5.500 -34.126 1.00 35.42 C ATOM 1246 CG ASN A 80 7.414 -6.102 -33.920 1.00 32.20 C ATOM 1247 OD1 ASN A 80 6.548 -5.497 -33.288 1.00 31.34 O ATOM 1248 ND2 ASN A 80 7.206 -7.300 -34.454 1.00 50.15 N ATOM 0 H ASN A 80 11.183 -3.849 -32.909 1.00 24.35 H new ATOM 0 HA ASN A 80 8.442 -4.261 -32.404 1.00 4.13 H new ATOM 0 HB2 ASN A 80 8.763 -4.819 -34.977 1.00 35.42 H new ATOM 0 HB3 ASN A 80 9.498 -6.292 -34.374 1.00 35.42 H new ATOM 0 HD21 ASN A 80 6.299 -7.755 -34.348 1.00 50.15 H new ATOM 0 HD22 ASN A 80 7.953 -7.765 -34.970 1.00 50.15 H new ATOM 1255 N PHE A 81 9.087 -6.583 -31.319 1.00 65.53 N ATOM 1256 CA PHE A 81 9.562 -7.570 -30.356 1.00 74.20 C ATOM 1257 C PHE A 81 9.477 -8.980 -30.935 1.00 3.41 C ATOM 1258 O PHE A 81 8.956 -9.183 -32.032 1.00 0.14 O ATOM 1259 CB PHE A 81 8.745 -7.487 -29.065 1.00 34.30 C ATOM 1260 CG PHE A 81 7.262 -7.426 -29.297 1.00 31.33 C ATOM 1261 CD1 PHE A 81 6.526 -8.587 -29.472 1.00 64.33 C ATOM 1262 CD2 PHE A 81 6.604 -6.208 -29.340 1.00 13.35 C ATOM 1263 CE1 PHE A 81 5.162 -8.535 -29.685 1.00 53.34 C ATOM 1264 CE2 PHE A 81 5.239 -6.149 -29.552 1.00 3.02 C ATOM 1265 CZ PHE A 81 4.518 -7.314 -29.726 1.00 54.32 C ATOM 0 H PHE A 81 8.083 -6.614 -31.495 1.00 65.53 H new ATOM 0 HA PHE A 81 10.606 -7.350 -30.133 1.00 74.20 H new ATOM 0 HB2 PHE A 81 8.972 -8.354 -28.444 1.00 34.30 H new ATOM 0 HB3 PHE A 81 9.054 -6.604 -28.505 1.00 34.30 H new ATOM 0 HD1 PHE A 81 7.025 -9.544 -29.441 1.00 64.33 H new ATOM 0 HD2 PHE A 81 7.164 -5.294 -29.206 1.00 13.35 H new ATOM 0 HE1 PHE A 81 4.600 -9.448 -29.819 1.00 53.34 H new ATOM 0 HE2 PHE A 81 4.737 -5.193 -29.581 1.00 3.02 H new ATOM 0 HZ PHE A 81 3.452 -7.270 -29.894 1.00 54.32 H new ATOM 1275 N LYS A 82 9.995 -9.951 -30.190 1.00 14.51 N ATOM 1276 CA LYS A 82 9.978 -11.342 -30.626 1.00 45.33 C ATOM 1277 C LYS A 82 8.950 -12.147 -29.839 1.00 30.12 C ATOM 1278 O LYS A 82 7.888 -12.489 -30.356 1.00 54.02 O ATOM 1279 CB LYS A 82 11.366 -11.966 -30.461 1.00 10.33 C ATOM 1280 CG LYS A 82 12.428 -11.331 -31.342 1.00 13.52 C ATOM 1281 CD LYS A 82 12.249 -11.720 -32.800 1.00 32.34 C ATOM 1282 CE LYS A 82 13.555 -11.610 -33.570 1.00 43.24 C ATOM 1283 NZ LYS A 82 13.512 -12.373 -34.848 1.00 73.13 N ATOM 0 H LYS A 82 10.432 -9.800 -29.281 1.00 14.51 H new ATOM 0 HA LYS A 82 9.699 -11.363 -31.680 1.00 45.33 H new ATOM 0 HB2 LYS A 82 11.672 -11.880 -29.418 1.00 10.33 H new ATOM 0 HB3 LYS A 82 11.306 -13.030 -30.689 1.00 10.33 H new ATOM 0 HG2 LYS A 82 12.381 -10.246 -31.246 1.00 13.52 H new ATOM 0 HG3 LYS A 82 13.416 -11.639 -31.001 1.00 13.52 H new ATOM 0 HD2 LYS A 82 11.874 -12.742 -32.862 1.00 32.34 H new ATOM 0 HD3 LYS A 82 11.499 -11.077 -33.260 1.00 32.34 H new ATOM 0 HE2 LYS A 82 13.765 -10.561 -33.780 1.00 43.24 H new ATOM 0 HE3 LYS A 82 14.373 -11.982 -32.953 1.00 43.24 H new ATOM 0 HZ1 LYS A 82 14.421 -12.273 -35.343 1.00 73.13 H new ATOM 0 HZ2 LYS A 82 13.337 -13.378 -34.647 1.00 73.13 H new ATOM 0 HZ3 LYS A 82 12.748 -12.002 -35.448 1.00 73.13 H new ATOM 1297 N ASN A 83 9.273 -12.445 -28.585 1.00 30.45 N ATOM 1298 CA ASN A 83 8.376 -13.210 -27.725 1.00 40.14 C ATOM 1299 C ASN A 83 8.829 -13.144 -26.270 1.00 63.01 C ATOM 1300 O ASN A 83 9.957 -13.514 -25.944 1.00 53.31 O ATOM 1301 CB ASN A 83 8.314 -14.667 -28.186 1.00 71.45 C ATOM 1302 CG ASN A 83 7.545 -15.547 -27.220 1.00 32.31 C ATOM 1303 OD1 ASN A 83 8.131 -16.198 -26.355 1.00 30.22 O ATOM 1304 ND2 ASN A 83 6.225 -15.571 -27.363 1.00 51.44 N ATOM 0 H ASN A 83 10.149 -12.169 -28.141 1.00 30.45 H new ATOM 0 HA ASN A 83 7.381 -12.770 -27.797 1.00 40.14 H new ATOM 0 HB2 ASN A 83 7.845 -14.715 -29.169 1.00 71.45 H new ATOM 0 HB3 ASN A 83 9.327 -15.053 -28.297 1.00 71.45 H new ATOM 0 HD21 ASN A 83 5.655 -16.145 -26.742 1.00 51.44 H new ATOM 0 HD22 ASN A 83 5.781 -15.015 -28.094 1.00 51.44 H new ATOM 1311 N GLU A 84 7.942 -12.671 -25.400 1.00 71.34 N ATOM 1312 CA GLU A 84 8.251 -12.557 -23.980 1.00 65.10 C ATOM 1313 C GLU A 84 8.057 -13.895 -23.272 1.00 1.34 C ATOM 1314 O GLU A 84 7.328 -14.764 -23.750 1.00 11.20 O ATOM 1315 CB GLU A 84 7.371 -11.489 -23.328 1.00 31.33 C ATOM 1316 CG GLU A 84 5.885 -11.795 -23.406 1.00 34.24 C ATOM 1317 CD GLU A 84 5.410 -12.679 -22.268 1.00 44.13 C ATOM 1318 OE1 GLU A 84 6.053 -12.665 -21.198 1.00 11.13 O ATOM 1319 OE2 GLU A 84 4.396 -13.385 -22.450 1.00 10.45 O ATOM 0 H GLU A 84 7.004 -12.361 -25.654 1.00 71.34 H new ATOM 0 HA GLU A 84 9.296 -12.263 -23.884 1.00 65.10 H new ATOM 0 HB2 GLU A 84 7.657 -11.383 -22.282 1.00 31.33 H new ATOM 0 HB3 GLU A 84 7.562 -10.530 -23.809 1.00 31.33 H new ATOM 0 HG2 GLU A 84 5.324 -10.860 -23.393 1.00 34.24 H new ATOM 0 HG3 GLU A 84 5.668 -12.284 -24.356 1.00 34.24 H new ATOM 1326 N LYS A 85 8.715 -14.053 -22.128 1.00 43.03 N ATOM 1327 CA LYS A 85 8.616 -15.283 -21.352 1.00 20.13 C ATOM 1328 C LYS A 85 8.398 -14.977 -19.873 1.00 63.13 C ATOM 1329 O LYS A 85 9.268 -14.410 -19.212 1.00 12.41 O ATOM 1330 CB LYS A 85 9.882 -16.125 -21.528 1.00 75.31 C ATOM 1331 CG LYS A 85 9.933 -17.343 -20.622 1.00 32.21 C ATOM 1332 CD LYS A 85 8.840 -18.341 -20.966 1.00 55.20 C ATOM 1333 CE LYS A 85 9.322 -19.369 -21.978 1.00 55.21 C ATOM 1334 NZ LYS A 85 9.062 -18.933 -23.378 1.00 51.21 N ATOM 0 H LYS A 85 9.323 -13.344 -21.718 1.00 43.03 H new ATOM 0 HA LYS A 85 7.758 -15.847 -21.719 1.00 20.13 H new ATOM 0 HB2 LYS A 85 9.950 -16.451 -22.566 1.00 75.31 H new ATOM 0 HB3 LYS A 85 10.754 -15.500 -21.333 1.00 75.31 H new ATOM 0 HG2 LYS A 85 10.907 -17.824 -20.712 1.00 32.21 H new ATOM 0 HG3 LYS A 85 9.827 -17.030 -19.583 1.00 32.21 H new ATOM 0 HD2 LYS A 85 8.511 -18.848 -20.059 1.00 55.20 H new ATOM 0 HD3 LYS A 85 7.976 -17.812 -21.367 1.00 55.20 H new ATOM 0 HE2 LYS A 85 10.390 -19.539 -21.843 1.00 55.21 H new ATOM 0 HE3 LYS A 85 8.823 -20.320 -21.795 1.00 55.21 H new ATOM 0 HZ1 LYS A 85 9.013 -19.767 -23.998 1.00 51.21 H new ATOM 0 HZ2 LYS A 85 8.160 -18.418 -23.419 1.00 51.21 H new ATOM 0 HZ3 LYS A 85 9.831 -18.310 -23.696 1.00 51.21 H new ATOM 1348 N VAL A 86 7.233 -15.358 -19.360 1.00 54.12 N ATOM 1349 CA VAL A 86 6.902 -15.126 -17.959 1.00 71.52 C ATOM 1350 C VAL A 86 7.787 -15.962 -17.041 1.00 13.55 C ATOM 1351 O VAL A 86 7.683 -17.188 -17.009 1.00 60.10 O ATOM 1352 CB VAL A 86 5.425 -15.455 -17.669 1.00 63.04 C ATOM 1353 CG1 VAL A 86 5.104 -15.219 -16.202 1.00 13.14 C ATOM 1354 CG2 VAL A 86 4.511 -14.631 -18.563 1.00 42.33 C ATOM 0 H VAL A 86 6.502 -15.829 -19.894 1.00 54.12 H new ATOM 0 HA VAL A 86 7.076 -14.068 -17.763 1.00 71.52 H new ATOM 0 HB VAL A 86 5.255 -16.509 -17.888 1.00 63.04 H new ATOM 0 HG11 VAL A 86 4.057 -15.457 -16.016 1.00 13.14 H new ATOM 0 HG12 VAL A 86 5.736 -15.857 -15.584 1.00 13.14 H new ATOM 0 HG13 VAL A 86 5.289 -14.174 -15.953 1.00 13.14 H new ATOM 0 HG21 VAL A 86 3.471 -14.876 -18.345 1.00 42.33 H new ATOM 0 HG22 VAL A 86 4.680 -13.570 -18.378 1.00 42.33 H new ATOM 0 HG23 VAL A 86 4.725 -14.855 -19.608 1.00 42.33 H new ATOM 1364 N ILE A 87 8.656 -15.289 -16.294 1.00 42.01 N ATOM 1365 CA ILE A 87 9.558 -15.969 -15.373 1.00 63.21 C ATOM 1366 C ILE A 87 9.411 -15.424 -13.957 1.00 21.35 C ATOM 1367 O ILE A 87 8.731 -14.422 -13.733 1.00 5.34 O ATOM 1368 CB ILE A 87 11.027 -15.828 -15.816 1.00 14.54 C ATOM 1369 CG1 ILE A 87 11.464 -14.363 -15.744 1.00 65.23 C ATOM 1370 CG2 ILE A 87 11.210 -16.373 -17.224 1.00 4.01 C ATOM 1371 CD1 ILE A 87 12.903 -14.142 -16.155 1.00 25.11 C ATOM 0 H ILE A 87 8.754 -14.274 -16.309 1.00 42.01 H new ATOM 0 HA ILE A 87 9.284 -17.024 -15.384 1.00 63.21 H new ATOM 0 HB ILE A 87 11.654 -16.409 -15.139 1.00 14.54 H new ATOM 0 HG12 ILE A 87 10.815 -13.767 -16.386 1.00 65.23 H new ATOM 0 HG13 ILE A 87 11.325 -14.000 -14.725 1.00 65.23 H new ATOM 0 HG21 ILE A 87 12.253 -16.266 -17.523 1.00 4.01 H new ATOM 0 HG22 ILE A 87 10.932 -17.427 -17.245 1.00 4.01 H new ATOM 0 HG23 ILE A 87 10.576 -15.817 -17.915 1.00 4.01 H new ATOM 0 HD11 ILE A 87 13.144 -13.082 -16.080 1.00 25.11 H new ATOM 0 HD12 ILE A 87 13.561 -14.711 -15.498 1.00 25.11 H new ATOM 0 HD13 ILE A 87 13.043 -14.474 -17.184 1.00 25.11 H new ATOM 1383 N LEU A 88 10.054 -16.090 -13.003 1.00 54.20 N ATOM 1384 CA LEU A 88 9.996 -15.672 -11.607 1.00 4.54 C ATOM 1385 C LEU A 88 11.306 -15.016 -11.181 1.00 1.15 C ATOM 1386 O LEU A 88 11.314 -14.082 -10.378 1.00 35.42 O ATOM 1387 CB LEU A 88 9.697 -16.871 -10.706 1.00 72.32 C ATOM 1388 CG LEU A 88 8.278 -17.435 -10.789 1.00 71.02 C ATOM 1389 CD1 LEU A 88 8.162 -18.422 -11.940 1.00 61.14 C ATOM 1390 CD2 LEU A 88 7.889 -18.097 -9.475 1.00 63.24 C ATOM 0 H LEU A 88 10.621 -16.921 -13.171 1.00 54.20 H new ATOM 0 HA LEU A 88 9.194 -14.941 -11.506 1.00 4.54 H new ATOM 0 HB2 LEU A 88 10.398 -17.668 -10.951 1.00 72.32 H new ATOM 0 HB3 LEU A 88 9.892 -16.582 -9.673 1.00 72.32 H new ATOM 0 HG LEU A 88 7.590 -16.610 -10.974 1.00 71.02 H new ATOM 0 HD11 LEU A 88 7.145 -18.813 -11.983 1.00 61.14 H new ATOM 0 HD12 LEU A 88 8.397 -17.917 -12.877 1.00 61.14 H new ATOM 0 HD13 LEU A 88 8.861 -19.244 -11.786 1.00 61.14 H new ATOM 0 HD21 LEU A 88 6.876 -18.493 -9.553 1.00 63.24 H new ATOM 0 HD22 LEU A 88 8.581 -18.911 -9.259 1.00 63.24 H new ATOM 0 HD23 LEU A 88 7.931 -17.362 -8.671 1.00 63.24 H new ATOM 1402 N LYS A 89 12.413 -15.509 -11.725 1.00 22.42 N ATOM 1403 CA LYS A 89 13.730 -14.970 -11.405 1.00 34.43 C ATOM 1404 C LYS A 89 14.502 -14.630 -12.675 1.00 54.34 C ATOM 1405 O LYS A 89 14.194 -15.135 -13.756 1.00 34.24 O ATOM 1406 CB LYS A 89 14.524 -15.974 -10.566 1.00 63.01 C ATOM 1407 CG LYS A 89 14.750 -17.305 -11.263 1.00 13.15 C ATOM 1408 CD LYS A 89 15.104 -18.400 -10.271 1.00 23.12 C ATOM 1409 CE LYS A 89 16.596 -18.423 -9.975 1.00 41.40 C ATOM 1410 NZ LYS A 89 16.977 -17.398 -8.964 1.00 14.40 N ATOM 0 H LYS A 89 12.425 -16.282 -12.390 1.00 22.42 H new ATOM 0 HA LYS A 89 13.591 -14.055 -10.830 1.00 34.43 H new ATOM 0 HB2 LYS A 89 15.490 -15.538 -10.311 1.00 63.01 H new ATOM 0 HB3 LYS A 89 13.996 -16.149 -9.629 1.00 63.01 H new ATOM 0 HG2 LYS A 89 13.851 -17.587 -11.812 1.00 13.15 H new ATOM 0 HG3 LYS A 89 15.551 -17.202 -11.995 1.00 13.15 H new ATOM 0 HD2 LYS A 89 14.551 -18.246 -9.345 1.00 23.12 H new ATOM 0 HD3 LYS A 89 14.796 -19.367 -10.669 1.00 23.12 H new ATOM 0 HE2 LYS A 89 16.879 -19.412 -9.614 1.00 41.40 H new ATOM 0 HE3 LYS A 89 17.152 -18.248 -10.896 1.00 41.40 H new ATOM 0 HZ1 LYS A 89 17.800 -17.733 -8.423 1.00 14.40 H new ATOM 0 HZ2 LYS A 89 17.218 -16.508 -9.446 1.00 14.40 H new ATOM 0 HZ3 LYS A 89 16.180 -17.236 -8.316 1.00 14.40 H new ATOM 1424 N LEU A 90 15.506 -13.771 -12.539 1.00 64.44 N ATOM 1425 CA LEU A 90 16.324 -13.364 -13.677 1.00 22.32 C ATOM 1426 C LEU A 90 17.458 -14.357 -13.915 1.00 53.34 C ATOM 1427 O LEU A 90 17.666 -15.278 -13.126 1.00 0.13 O ATOM 1428 CB LEU A 90 16.897 -11.965 -13.444 1.00 34.13 C ATOM 1429 CG LEU A 90 15.875 -10.855 -13.194 1.00 21.03 C ATOM 1430 CD1 LEU A 90 14.689 -11.000 -14.134 1.00 52.42 C ATOM 1431 CD2 LEU A 90 15.414 -10.872 -11.744 1.00 13.43 C ATOM 0 H LEU A 90 15.773 -13.343 -11.653 1.00 64.44 H new ATOM 0 HA LEU A 90 15.688 -13.347 -14.562 1.00 22.32 H new ATOM 0 HB2 LEU A 90 17.573 -12.008 -12.590 1.00 34.13 H new ATOM 0 HB3 LEU A 90 17.497 -11.691 -14.312 1.00 34.13 H new ATOM 0 HG LEU A 90 16.353 -9.896 -13.391 1.00 21.03 H new ATOM 0 HD11 LEU A 90 13.972 -10.202 -13.941 1.00 52.42 H new ATOM 0 HD12 LEU A 90 15.033 -10.937 -15.166 1.00 52.42 H new ATOM 0 HD13 LEU A 90 14.210 -11.965 -13.969 1.00 52.42 H new ATOM 0 HD21 LEU A 90 14.687 -10.076 -11.584 1.00 13.43 H new ATOM 0 HD22 LEU A 90 14.953 -11.834 -11.520 1.00 13.43 H new ATOM 0 HD23 LEU A 90 16.271 -10.718 -11.088 1.00 13.43 H new ATOM 1443 N ASP A 91 18.188 -14.161 -15.007 1.00 42.24 N ATOM 1444 CA ASP A 91 19.303 -15.037 -15.349 1.00 4.54 C ATOM 1445 C ASP A 91 20.637 -14.334 -15.116 1.00 41.52 C ATOM 1446 O ASP A 91 21.669 -14.981 -14.936 1.00 34.23 O ATOM 1447 CB ASP A 91 19.198 -15.488 -16.806 1.00 52.11 C ATOM 1448 CG ASP A 91 17.873 -16.160 -17.109 1.00 41.05 C ATOM 1449 OD1 ASP A 91 17.364 -16.891 -16.234 1.00 12.32 O ATOM 1450 OD2 ASP A 91 17.345 -15.955 -18.222 1.00 43.42 O ATOM 0 H ASP A 91 18.028 -13.403 -15.671 1.00 42.24 H new ATOM 0 HA ASP A 91 19.256 -15.913 -14.702 1.00 4.54 H new ATOM 0 HB2 ASP A 91 19.323 -14.625 -17.460 1.00 52.11 H new ATOM 0 HB3 ASP A 91 20.012 -16.178 -17.029 1.00 52.11 H new ATOM 1455 N TYR A 92 20.609 -13.006 -15.123 1.00 40.51 N ATOM 1456 CA TYR A 92 21.816 -12.214 -14.917 1.00 23.43 C ATOM 1457 C TYR A 92 21.679 -11.323 -13.686 1.00 45.44 C ATOM 1458 O TYR A 92 20.583 -11.141 -13.156 1.00 44.45 O ATOM 1459 CB TYR A 92 22.108 -11.359 -16.151 1.00 12.14 C ATOM 1460 CG TYR A 92 22.661 -12.147 -17.317 1.00 15.32 C ATOM 1461 CD1 TYR A 92 21.918 -13.161 -17.909 1.00 24.30 C ATOM 1462 CD2 TYR A 92 23.925 -11.877 -17.826 1.00 32.40 C ATOM 1463 CE1 TYR A 92 22.419 -13.884 -18.974 1.00 64.32 C ATOM 1464 CE2 TYR A 92 24.433 -12.594 -18.892 1.00 22.22 C ATOM 1465 CZ TYR A 92 23.677 -13.597 -19.462 1.00 51.33 C ATOM 1466 OH TYR A 92 24.180 -14.314 -20.523 1.00 64.02 O ATOM 0 H TYR A 92 19.763 -12.455 -15.269 1.00 40.51 H new ATOM 0 HA TYR A 92 22.647 -12.900 -14.755 1.00 23.43 H new ATOM 0 HB2 TYR A 92 21.190 -10.861 -16.463 1.00 12.14 H new ATOM 0 HB3 TYR A 92 22.819 -10.578 -15.881 1.00 12.14 H new ATOM 0 HD1 TYR A 92 20.932 -13.388 -17.530 1.00 24.30 H new ATOM 0 HD2 TYR A 92 24.520 -11.094 -17.381 1.00 32.40 H new ATOM 0 HE1 TYR A 92 21.829 -14.670 -19.422 1.00 64.32 H new ATOM 0 HE2 TYR A 92 25.417 -12.370 -19.277 1.00 22.22 H new ATOM 0 HH TYR A 92 25.077 -13.986 -20.744 1.00 64.02 H new ATOM 1476 N SER A 93 22.801 -10.768 -13.238 1.00 22.22 N ATOM 1477 CA SER A 93 22.809 -9.897 -12.068 1.00 71.42 C ATOM 1478 C SER A 93 22.718 -8.432 -12.482 1.00 0.44 C ATOM 1479 O SER A 93 22.262 -7.585 -11.712 1.00 64.33 O ATOM 1480 CB SER A 93 24.076 -10.129 -11.242 1.00 52.43 C ATOM 1481 OG SER A 93 24.008 -9.445 -10.003 1.00 5.30 O ATOM 0 H SER A 93 23.716 -10.906 -13.667 1.00 22.22 H new ATOM 0 HA SER A 93 21.938 -10.139 -11.459 1.00 71.42 H new ATOM 0 HB2 SER A 93 24.208 -11.196 -11.065 1.00 52.43 H new ATOM 0 HB3 SER A 93 24.947 -9.788 -11.802 1.00 52.43 H new ATOM 0 HG SER A 93 24.828 -9.610 -9.493 1.00 5.30 H new ATOM 1487 N ASP A 94 23.155 -8.140 -13.702 1.00 0.44 N ATOM 1488 CA ASP A 94 23.123 -6.777 -14.220 1.00 12.25 C ATOM 1489 C ASP A 94 23.204 -6.772 -15.743 1.00 25.22 C ATOM 1490 O ASP A 94 23.516 -7.790 -16.361 1.00 64.13 O ATOM 1491 CB ASP A 94 24.273 -5.958 -13.632 1.00 45.03 C ATOM 1492 CG ASP A 94 23.921 -5.343 -12.292 1.00 43.42 C ATOM 1493 OD1 ASP A 94 22.907 -4.618 -12.221 1.00 33.43 O ATOM 1494 OD2 ASP A 94 24.661 -5.585 -11.315 1.00 53.41 O ATOM 0 H ASP A 94 23.536 -8.829 -14.351 1.00 0.44 H new ATOM 0 HA ASP A 94 22.177 -6.324 -13.924 1.00 12.25 H new ATOM 0 HB2 ASP A 94 25.148 -6.597 -13.516 1.00 45.03 H new ATOM 0 HB3 ASP A 94 24.546 -5.167 -14.331 1.00 45.03 H new ATOM 1499 N PHE A 95 22.921 -5.620 -16.342 1.00 60.40 N ATOM 1500 CA PHE A 95 22.960 -5.484 -17.793 1.00 43.33 C ATOM 1501 C PHE A 95 24.386 -5.234 -18.278 1.00 15.23 C ATOM 1502 O PHE A 95 24.960 -4.175 -18.026 1.00 23.21 O ATOM 1503 CB PHE A 95 22.049 -4.341 -18.244 1.00 14.50 C ATOM 1504 CG PHE A 95 21.612 -4.451 -19.677 1.00 22.11 C ATOM 1505 CD1 PHE A 95 22.543 -4.421 -20.703 1.00 23.53 C ATOM 1506 CD2 PHE A 95 20.271 -4.585 -19.998 1.00 61.22 C ATOM 1507 CE1 PHE A 95 22.144 -4.522 -22.022 1.00 62.20 C ATOM 1508 CE2 PHE A 95 19.866 -4.687 -21.316 1.00 1.22 C ATOM 1509 CZ PHE A 95 20.804 -4.656 -22.329 1.00 22.31 C ATOM 0 H PHE A 95 22.662 -4.768 -15.845 1.00 60.40 H new ATOM 0 HA PHE A 95 22.604 -6.417 -18.230 1.00 43.33 H new ATOM 0 HB2 PHE A 95 21.167 -4.317 -17.604 1.00 14.50 H new ATOM 0 HB3 PHE A 95 22.571 -3.394 -18.103 1.00 14.50 H new ATOM 0 HD1 PHE A 95 23.592 -4.318 -20.469 1.00 23.53 H new ATOM 0 HD2 PHE A 95 19.533 -4.610 -19.210 1.00 61.22 H new ATOM 0 HE1 PHE A 95 22.879 -4.496 -22.812 1.00 62.20 H new ATOM 0 HE2 PHE A 95 18.817 -4.791 -21.553 1.00 1.22 H new ATOM 0 HZ PHE A 95 20.490 -4.736 -23.359 1.00 22.31 H new ATOM 1519 N GLN A 96 24.949 -6.217 -18.973 1.00 54.52 N ATOM 1520 CA GLN A 96 26.307 -6.104 -19.492 1.00 13.13 C ATOM 1521 C GLN A 96 26.298 -5.933 -21.007 1.00 65.12 C ATOM 1522 O GLN A 96 25.309 -6.243 -21.671 1.00 14.12 O ATOM 1523 CB GLN A 96 27.125 -7.339 -19.110 1.00 51.32 C ATOM 1524 CG GLN A 96 28.620 -7.076 -19.026 1.00 52.11 C ATOM 1525 CD GLN A 96 29.324 -8.013 -18.065 1.00 11.15 C ATOM 1526 OE1 GLN A 96 28.878 -8.211 -16.934 1.00 72.21 O ATOM 1527 NE2 GLN A 96 30.431 -8.596 -18.509 1.00 40.34 N ATOM 0 H GLN A 96 24.486 -7.100 -19.190 1.00 54.52 H new ATOM 0 HA GLN A 96 26.767 -5.221 -19.048 1.00 13.13 H new ATOM 0 HB2 GLN A 96 26.776 -7.713 -18.148 1.00 51.32 H new ATOM 0 HB3 GLN A 96 26.943 -8.126 -19.842 1.00 51.32 H new ATOM 0 HG2 GLN A 96 29.060 -7.181 -20.018 1.00 52.11 H new ATOM 0 HG3 GLN A 96 28.787 -6.046 -18.711 1.00 52.11 H new ATOM 0 HE21 GLN A 96 30.765 -8.404 -19.453 1.00 40.34 H new ATOM 0 HE22 GLN A 96 30.947 -9.236 -17.906 1.00 40.34 H new ATOM 1536 N ILE A 97 27.407 -5.438 -21.548 1.00 32.31 N ATOM 1537 CA ILE A 97 27.527 -5.227 -22.985 1.00 74.31 C ATOM 1538 C ILE A 97 28.270 -6.381 -23.650 1.00 50.20 C ATOM 1539 O ILE A 97 29.150 -6.996 -23.048 1.00 1.23 O ATOM 1540 CB ILE A 97 28.258 -3.910 -23.302 1.00 2.44 C ATOM 1541 CG1 ILE A 97 27.623 -2.750 -22.531 1.00 22.43 C ATOM 1542 CG2 ILE A 97 28.232 -3.635 -24.798 1.00 31.32 C ATOM 1543 CD1 ILE A 97 28.356 -1.438 -22.701 1.00 72.04 C ATOM 0 H ILE A 97 28.235 -5.176 -21.012 1.00 32.31 H new ATOM 0 HA ILE A 97 26.513 -5.174 -23.382 1.00 74.31 H new ATOM 0 HB ILE A 97 29.298 -4.005 -22.988 1.00 2.44 H new ATOM 0 HG12 ILE A 97 26.592 -2.626 -22.862 1.00 22.43 H new ATOM 0 HG13 ILE A 97 27.590 -3.004 -21.471 1.00 22.43 H new ATOM 0 HG21 ILE A 97 28.753 -2.700 -25.005 1.00 31.32 H new ATOM 0 HG22 ILE A 97 28.726 -4.451 -25.326 1.00 31.32 H new ATOM 0 HG23 ILE A 97 27.199 -3.557 -25.136 1.00 31.32 H new ATOM 0 HD11 ILE A 97 27.850 -0.662 -22.127 1.00 72.04 H new ATOM 0 HD12 ILE A 97 29.380 -1.544 -22.344 1.00 72.04 H new ATOM 0 HD13 ILE A 97 28.367 -1.161 -23.755 1.00 72.04 H new ATOM 1555 N VAL A 98 27.911 -6.668 -24.897 1.00 61.42 N ATOM 1556 CA VAL A 98 28.546 -7.746 -25.646 1.00 71.32 C ATOM 1557 C VAL A 98 29.576 -7.200 -26.628 1.00 64.42 C ATOM 1558 O VAL A 98 29.282 -6.305 -27.421 1.00 22.51 O ATOM 1559 CB VAL A 98 27.507 -8.580 -26.420 1.00 0.22 C ATOM 1560 CG1 VAL A 98 28.187 -9.707 -27.181 1.00 71.44 C ATOM 1561 CG2 VAL A 98 26.451 -9.127 -25.472 1.00 13.24 C ATOM 0 H VAL A 98 27.184 -6.169 -25.410 1.00 61.42 H new ATOM 0 HA VAL A 98 29.045 -8.386 -24.918 1.00 71.32 H new ATOM 0 HB VAL A 98 27.012 -7.932 -27.144 1.00 0.22 H new ATOM 0 HG11 VAL A 98 27.438 -10.285 -27.721 1.00 71.44 H new ATOM 0 HG12 VAL A 98 28.902 -9.288 -27.889 1.00 71.44 H new ATOM 0 HG13 VAL A 98 28.709 -10.357 -26.479 1.00 71.44 H new ATOM 0 HG21 VAL A 98 25.725 -9.714 -26.035 1.00 13.24 H new ATOM 0 HG22 VAL A 98 26.927 -9.760 -24.724 1.00 13.24 H new ATOM 0 HG23 VAL A 98 25.943 -8.300 -24.977 1.00 13.24 H new ATOM 1571 N LYS A 99 30.787 -7.745 -26.571 1.00 32.42 N ATOM 1572 CA LYS A 99 31.863 -7.315 -27.456 1.00 32.40 C ATOM 1573 C LYS A 99 31.765 -8.012 -28.809 1.00 51.15 C ATOM 1574 O LYS A 99 32.601 -8.850 -29.149 1.00 53.11 O ATOM 1575 CB LYS A 99 33.223 -7.606 -26.818 1.00 31.42 C ATOM 1576 CG LYS A 99 33.460 -6.852 -25.521 1.00 22.20 C ATOM 1577 CD LYS A 99 34.896 -6.999 -25.045 1.00 51.23 C ATOM 1578 CE LYS A 99 34.997 -6.881 -23.532 1.00 55.22 C ATOM 1579 NZ LYS A 99 34.688 -8.170 -22.854 1.00 24.04 N ATOM 0 H LYS A 99 31.048 -8.486 -25.920 1.00 32.42 H new ATOM 0 HA LYS A 99 31.764 -6.241 -27.612 1.00 32.40 H new ATOM 0 HB2 LYS A 99 33.304 -8.676 -26.626 1.00 31.42 H new ATOM 0 HB3 LYS A 99 34.010 -7.349 -27.527 1.00 31.42 H new ATOM 0 HG2 LYS A 99 33.230 -5.796 -25.665 1.00 22.20 H new ATOM 0 HG3 LYS A 99 32.781 -7.224 -24.753 1.00 22.20 H new ATOM 0 HD2 LYS A 99 35.288 -7.965 -25.363 1.00 51.23 H new ATOM 0 HD3 LYS A 99 35.516 -6.234 -25.513 1.00 51.23 H new ATOM 0 HE2 LYS A 99 36.002 -6.559 -23.259 1.00 55.22 H new ATOM 0 HE3 LYS A 99 34.309 -6.112 -23.181 1.00 55.22 H new ATOM 0 HZ1 LYS A 99 34.768 -8.048 -21.824 1.00 24.04 H new ATOM 0 HZ2 LYS A 99 33.720 -8.465 -23.094 1.00 24.04 H new ATOM 0 HZ3 LYS A 99 35.360 -8.898 -23.170 1.00 24.04 H new TER 1593 LYS A 99