USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1272 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 17 GLN : amide:sc= -1.4 K(o=-3,f=-5.8!) USER MOD Set 1.2: A 80 GLN : amide:sc= -1.55 K(o=-3,f=-4.3!) USER MOD Set 2.1: A 48 GLN : amide:sc= -14.2! C(o=-17!,f=-19!) USER MOD Set 2.2: A 50 GLN :FLIP amide:sc= -2.38 F(o=-33!,f=-17) USER MOD Single : A 1 THR N :NH3+ 143:sc= 0.107 (180deg=0.0791) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 4 TYR OH : rot 167:sc= -1.92! USER MOD Single : A 9 SER OG : rot -17:sc= -0.432 USER MOD Single : A 10 ASN : amide:sc= -7.26! C(o=-7.3!,f=-14!) USER MOD Single : A 13 SER OG : rot -14:sc= 0.92 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.488 F(o=-2.8!,f=-0.49) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -132:sc= -5.72! USER MOD Single : A 32 HIS : no HD1:sc= -2.89! C(o=-2.9!,f=-5.3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.456 USER MOD Single : A 37 SER OG : rot -69:sc= 0.137 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -143:sc= 1.25 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 55 ASN :FLIP amide:sc= -4.51! C(o=-5.4!,f=-4.5!) USER MOD Single : A 62 THR OG1 : rot 56:sc= 1.65 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.458 K(o=-0.46,f=-2.3!) USER MOD Single : A 72 HIS : no HD1:sc= -18.7! C(o=-19!,f=-21!) USER MOD Single : A 73 THR OG1 : rot -3:sc= -1.76! USER MOD Single : A 74 GLN :FLIP amide:sc= -0.688 F(o=-2.3!,f=-0.69) USER MOD Single : A 79 GLN : amide:sc= -2.6! C(o=-2.6!,f=-6.6!) USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= -0.761 (180deg=-0.832) USER MOD Single : A 93 THR OG1 : rot -110:sc= -0.0114 USER MOD Single : A 99 MET CE :methyl -141:sc= -7.05! (180deg=-8.65!) USER MOD Single : A 103 ASN : amide:sc= -0.0315 X(o=-0.032,f=-0.027) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.286 F(o=-3!,f=-0.29) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.94! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-3.1!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 153:sc= 0 (180deg=-1.33) USER MOD Single : A 119 LYS NZ :NH3+ -166:sc= -0.0401 (180deg=-0.236) USER MOD Single : A 120 ASN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 124 MET CE :methyl 180:sc= -0.217 (180deg=-0.217) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN :FLIP amide:sc= -5.35! C(o=-12!,f=-5.3!) USER MOD Single : A 148 HIS : no HE2:sc= -0.921 K(o=-0.92,f=-3.3!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ -173:sc= 0.046 (180deg=-0.381) USER MOD Single : A 156 ASN : amide:sc= 0.0388 K(o=0.039,f=-2.9!) USER MOD Single : A 157 LYS NZ :NH3+ 146:sc= -3.38! (180deg=-6.06!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.921 -13.635 -10.220 1.00 0.73 N ATOM 2 CA THR A 1 1.024 -13.129 -9.149 1.00 0.53 C ATOM 3 C THR A 1 0.950 -11.602 -9.174 1.00 0.47 C ATOM 4 O THR A 1 1.806 -10.943 -9.761 1.00 0.70 O ATOM 5 CB THR A 1 1.558 -13.618 -7.800 1.00 0.54 C ATOM 6 OG1 THR A 1 1.721 -15.027 -7.809 1.00 0.58 O ATOM 7 CG2 THR A 1 0.654 -13.276 -6.635 1.00 0.81 C ATOM 0 H1 THR A 1 2.448 -14.460 -9.870 1.00 0.73 H new ATOM 0 H2 THR A 1 1.353 -13.912 -11.046 1.00 0.73 H new ATOM 0 H3 THR A 1 2.590 -12.888 -10.494 1.00 0.73 H new ATOM 0 HA THR A 1 0.014 -13.507 -9.310 1.00 0.53 H new ATOM 0 HB THR A 1 2.510 -13.105 -7.665 1.00 0.54 H new ATOM 0 HG1 THR A 1 2.065 -15.322 -6.940 1.00 0.58 H new ATOM 0 HG21 THR A 1 1.093 -13.652 -5.711 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.540 -12.194 -6.568 1.00 0.81 H new ATOM 0 HG23 THR A 1 -0.323 -13.735 -6.786 1.00 0.81 H new ATOM 17 N VAL A 2 -0.078 -11.052 -8.538 1.00 0.44 N ATOM 18 CA VAL A 2 -0.266 -9.604 -8.491 1.00 0.42 C ATOM 19 C VAL A 2 -0.179 -9.084 -7.055 1.00 0.38 C ATOM 20 O VAL A 2 -0.606 -9.755 -6.115 1.00 0.43 O ATOM 21 CB VAL A 2 -1.617 -9.200 -9.115 1.00 0.51 C ATOM 22 CG1 VAL A 2 -2.765 -9.933 -8.439 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.820 -7.694 -9.041 1.00 0.85 C ATOM 0 H VAL A 2 -0.795 -11.586 -8.047 1.00 0.44 H new ATOM 0 HA VAL A 2 0.536 -9.152 -9.074 1.00 0.42 H new ATOM 0 HB VAL A 2 -1.603 -9.488 -10.166 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -3.708 -9.632 -8.896 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -2.631 -11.008 -8.558 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -2.780 -9.685 -7.378 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.780 -7.434 -9.487 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -1.807 -7.376 -7.999 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.019 -7.192 -9.584 1.00 0.85 H new ATOM 33 N ALA A 3 0.387 -7.887 -6.896 1.00 0.38 N ATOM 34 CA ALA A 3 0.547 -7.278 -5.579 1.00 0.40 C ATOM 35 C ALA A 3 -0.388 -6.089 -5.391 1.00 0.40 C ATOM 36 O ALA A 3 -0.912 -5.536 -6.354 1.00 0.65 O ATOM 37 CB ALA A 3 1.992 -6.855 -5.365 1.00 0.43 C ATOM 0 H ALA A 3 0.742 -7.320 -7.666 1.00 0.38 H new ATOM 0 HA ALA A 3 0.282 -8.027 -4.833 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.096 -6.402 -4.379 1.00 0.43 H new ATOM 0 HB2 ALA A 3 2.641 -7.728 -5.434 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.276 -6.131 -6.128 1.00 0.43 H new ATOM 43 N TYR A 4 -0.604 -5.725 -4.134 1.00 0.25 N ATOM 44 CA TYR A 4 -1.487 -4.618 -3.775 1.00 0.24 C ATOM 45 C TYR A 4 -0.861 -3.785 -2.660 1.00 0.27 C ATOM 46 O TYR A 4 -1.065 -4.059 -1.476 1.00 0.35 O ATOM 47 CB TYR A 4 -2.833 -5.177 -3.335 1.00 0.25 C ATOM 48 CG TYR A 4 -3.479 -6.063 -4.376 1.00 0.27 C ATOM 49 CD1 TYR A 4 -3.047 -7.370 -4.574 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.504 -5.587 -5.173 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.623 -8.173 -5.537 1.00 0.61 C ATOM 52 CE2 TYR A 4 -5.084 -6.385 -6.133 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.642 -7.675 -6.314 1.00 0.45 C ATOM 54 OH TYR A 4 -5.224 -8.471 -7.276 1.00 0.55 O ATOM 0 H TYR A 4 -0.173 -6.187 -3.333 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.633 -3.971 -4.640 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.700 -5.746 -2.415 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.504 -4.350 -3.104 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -2.247 -7.763 -3.964 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -4.855 -4.574 -5.040 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -3.276 -9.186 -5.679 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -5.886 -5.998 -6.744 1.00 0.66 H new ATOM 0 HH TYR A 4 -6.053 -8.052 -7.590 1.00 0.55 H new ATOM 64 N ILE A 5 -0.074 -2.783 -3.046 1.00 0.28 N ATOM 65 CA ILE A 5 0.613 -1.926 -2.082 1.00 0.34 C ATOM 66 C ILE A 5 -0.057 -0.557 -1.964 1.00 0.34 C ATOM 67 O ILE A 5 -0.858 -0.170 -2.812 1.00 0.39 O ATOM 68 CB ILE A 5 2.087 -1.727 -2.487 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.682 -3.053 -2.967 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.892 -1.172 -1.320 1.00 0.53 C ATOM 71 CD1 ILE A 5 4.114 -2.943 -3.448 1.00 0.95 C ATOM 0 H ILE A 5 0.104 -2.544 -4.022 1.00 0.28 H new ATOM 0 HA ILE A 5 0.558 -2.427 -1.116 1.00 0.34 H new ATOM 0 HB ILE A 5 2.131 -1.007 -3.304 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.637 -3.776 -2.153 1.00 0.44 H new ATOM 0 HG13 ILE A 5 2.066 -3.445 -3.776 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.930 -1.038 -1.625 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.477 -0.211 -1.016 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.847 -1.869 -0.483 1.00 0.53 H new ATOM 0 HD11 ILE A 5 4.465 -3.923 -3.772 1.00 0.95 H new ATOM 0 HD12 ILE A 5 4.164 -2.245 -4.284 1.00 0.95 H new ATOM 0 HD13 ILE A 5 4.744 -2.582 -2.635 1.00 0.95 H new ATOM 83 N ALA A 6 0.289 0.171 -0.903 1.00 0.40 N ATOM 84 CA ALA A 6 -0.261 1.500 -0.662 1.00 0.44 C ATOM 85 C ALA A 6 0.820 2.441 -0.132 1.00 0.42 C ATOM 86 O ALA A 6 1.221 2.348 1.028 1.00 0.58 O ATOM 87 CB ALA A 6 -1.423 1.419 0.316 1.00 0.53 C ATOM 0 H ALA A 6 0.952 -0.142 -0.194 1.00 0.40 H new ATOM 0 HA ALA A 6 -0.628 1.900 -1.607 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -1.825 2.418 0.487 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.203 0.780 -0.098 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -1.075 1.001 1.261 1.00 0.53 H new ATOM 93 N ILE A 7 1.295 3.337 -0.995 1.00 0.41 N ATOM 94 CA ILE A 7 2.341 4.288 -0.616 1.00 0.40 C ATOM 95 C ILE A 7 1.762 5.679 -0.365 1.00 0.44 C ATOM 96 O ILE A 7 0.757 6.055 -0.966 1.00 0.52 O ATOM 97 CB ILE A 7 3.430 4.393 -1.711 1.00 0.50 C ATOM 98 CG1 ILE A 7 4.066 3.025 -1.990 1.00 0.65 C ATOM 99 CG2 ILE A 7 4.500 5.395 -1.304 1.00 0.53 C ATOM 100 CD1 ILE A 7 3.162 2.065 -2.735 1.00 0.99 C ATOM 0 H ILE A 7 0.974 3.425 -1.959 1.00 0.41 H new ATOM 0 HA ILE A 7 2.788 3.911 0.304 1.00 0.40 H new ATOM 0 HB ILE A 7 2.952 4.740 -2.627 1.00 0.50 H new ATOM 0 HG12 ILE A 7 4.978 3.171 -2.568 1.00 0.65 H new ATOM 0 HG13 ILE A 7 4.358 2.572 -1.043 1.00 0.65 H new ATOM 0 HG21 ILE A 7 5.257 5.456 -2.085 1.00 0.53 H new ATOM 0 HG22 ILE A 7 4.045 6.375 -1.162 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.965 5.072 -0.372 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.685 1.122 -2.893 1.00 0.99 H new ATOM 0 HD12 ILE A 7 2.260 1.886 -2.150 1.00 0.99 H new ATOM 0 HD13 ILE A 7 2.890 2.495 -3.699 1.00 0.99 H new ATOM 112 N GLY A 8 2.408 6.445 0.516 1.00 0.50 N ATOM 113 CA GLY A 8 1.944 7.787 0.809 1.00 0.61 C ATOM 114 C GLY A 8 3.074 8.672 1.279 1.00 0.62 C ATOM 115 O GLY A 8 4.138 8.170 1.629 1.00 0.90 O ATOM 0 H GLY A 8 3.242 6.158 1.029 1.00 0.50 H new ATOM 0 HA2 GLY A 8 1.489 8.219 -0.082 1.00 0.61 H new ATOM 0 HA3 GLY A 8 1.169 7.746 1.575 1.00 0.61 H new ATOM 119 N SER A 9 2.863 9.984 1.285 1.00 0.56 N ATOM 120 CA SER A 9 3.914 10.900 1.715 1.00 0.63 C ATOM 121 C SER A 9 3.362 12.260 2.123 1.00 0.66 C ATOM 122 O SER A 9 2.283 12.661 1.686 1.00 0.77 O ATOM 123 CB SER A 9 4.943 11.075 0.606 1.00 0.77 C ATOM 124 OG SER A 9 5.507 9.831 0.230 1.00 1.58 O ATOM 0 H SER A 9 1.991 10.431 1.003 1.00 0.56 H new ATOM 0 HA SER A 9 4.387 10.459 2.592 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.473 11.541 -0.260 1.00 0.77 H new ATOM 0 HB3 SER A 9 5.732 11.749 0.941 1.00 0.77 H new ATOM 0 HG SER A 9 5.328 9.166 0.927 1.00 1.58 H new ATOM 130 N ASN A 10 4.122 12.965 2.963 1.00 0.69 N ATOM 131 CA ASN A 10 3.727 14.286 3.440 1.00 0.79 C ATOM 132 C ASN A 10 4.937 15.119 3.854 1.00 0.83 C ATOM 133 O ASN A 10 5.084 16.270 3.443 1.00 0.98 O ATOM 134 CB ASN A 10 2.787 14.166 4.638 1.00 0.99 C ATOM 135 CG ASN A 10 1.472 13.501 4.297 1.00 1.05 C ATOM 136 OD1 ASN A 10 0.765 13.931 3.388 1.00 2.01 O ATOM 137 ND2 ASN A 10 1.130 12.456 5.040 1.00 1.01 N ATOM 0 H ASN A 10 5.018 12.639 3.327 1.00 0.69 H new ATOM 0 HA ASN A 10 3.219 14.783 2.614 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.282 13.597 5.425 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.591 15.160 5.039 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.248 11.974 4.867 1.00 1.01 H new ATOM 0 HD22 ASN A 10 1.749 12.135 5.784 1.00 1.01 H new ATOM 144 N LEU A 11 5.783 14.535 4.696 1.00 0.83 N ATOM 145 CA LEU A 11 6.966 15.223 5.204 1.00 0.95 C ATOM 146 C LEU A 11 8.137 15.139 4.228 1.00 0.93 C ATOM 147 O LEU A 11 9.215 14.657 4.579 1.00 1.38 O ATOM 148 CB LEU A 11 7.372 14.650 6.567 1.00 1.12 C ATOM 149 CG LEU A 11 6.351 14.844 7.700 1.00 0.90 C ATOM 150 CD1 LEU A 11 5.990 16.314 7.856 1.00 1.77 C ATOM 151 CD2 LEU A 11 5.103 14.007 7.455 1.00 1.54 C ATOM 0 H LEU A 11 5.671 13.582 5.043 1.00 0.83 H new ATOM 0 HA LEU A 11 6.707 16.276 5.319 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.560 13.583 6.451 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.314 15.109 6.868 1.00 1.12 H new ATOM 0 HG LEU A 11 6.810 14.505 8.629 1.00 0.90 H new ATOM 0 HD11 LEU A 11 5.266 16.427 8.663 1.00 1.77 H new ATOM 0 HD12 LEU A 11 6.888 16.886 8.090 1.00 1.77 H new ATOM 0 HD13 LEU A 11 5.557 16.683 6.926 1.00 1.77 H new ATOM 0 HD21 LEU A 11 4.396 14.161 8.270 1.00 1.54 H new ATOM 0 HD22 LEU A 11 4.643 14.307 6.514 1.00 1.54 H new ATOM 0 HD23 LEU A 11 5.376 12.953 7.406 1.00 1.54 H new ATOM 163 N ALA A 12 7.914 15.625 3.008 1.00 0.84 N ATOM 164 CA ALA A 12 8.939 15.626 1.967 1.00 0.91 C ATOM 165 C ALA A 12 8.357 16.133 0.653 1.00 0.95 C ATOM 166 O ALA A 12 8.495 17.306 0.310 1.00 1.72 O ATOM 167 CB ALA A 12 9.523 14.233 1.781 1.00 0.97 C ATOM 0 H ALA A 12 7.023 16.027 2.715 1.00 0.84 H new ATOM 0 HA ALA A 12 9.741 16.295 2.279 1.00 0.91 H new ATOM 0 HB1 ALA A 12 10.284 14.259 1.001 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.973 13.899 2.716 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.731 13.542 1.493 1.00 0.97 H new ATOM 173 N SER A 13 7.695 15.235 -0.068 1.00 0.81 N ATOM 174 CA SER A 13 7.069 15.564 -1.341 1.00 0.79 C ATOM 175 C SER A 13 6.030 14.505 -1.689 1.00 0.71 C ATOM 176 O SER A 13 6.308 13.583 -2.449 1.00 0.71 O ATOM 177 CB SER A 13 8.120 15.659 -2.450 1.00 0.89 C ATOM 178 OG SER A 13 9.068 16.675 -2.173 1.00 1.47 O ATOM 0 H SER A 13 7.578 14.262 0.213 1.00 0.81 H new ATOM 0 HA SER A 13 6.578 16.533 -1.252 1.00 0.79 H new ATOM 0 HB2 SER A 13 8.630 14.701 -2.554 1.00 0.89 H new ATOM 0 HB3 SER A 13 7.630 15.865 -3.402 1.00 0.89 H new ATOM 0 HG SER A 13 8.733 17.247 -1.451 1.00 1.47 H new ATOM 184 N PRO A 14 4.817 14.616 -1.118 1.00 0.69 N ATOM 185 CA PRO A 14 3.733 13.657 -1.349 1.00 0.66 C ATOM 186 C PRO A 14 3.609 13.197 -2.799 1.00 0.67 C ATOM 187 O PRO A 14 3.096 12.114 -3.070 1.00 0.66 O ATOM 188 CB PRO A 14 2.497 14.446 -0.940 1.00 0.68 C ATOM 189 CG PRO A 14 2.973 15.347 0.146 1.00 0.80 C ATOM 190 CD PRO A 14 4.407 15.682 -0.181 1.00 0.78 C ATOM 0 HA PRO A 14 3.896 12.733 -0.794 1.00 0.66 H new ATOM 0 HB2 PRO A 14 2.093 15.014 -1.778 1.00 0.68 H new ATOM 0 HB3 PRO A 14 1.703 13.787 -0.589 1.00 0.68 H new ATOM 0 HG2 PRO A 14 2.365 16.250 0.197 1.00 0.80 H new ATOM 0 HG3 PRO A 14 2.900 14.858 1.117 1.00 0.80 H new ATOM 0 HD2 PRO A 14 4.493 16.669 -0.636 1.00 0.78 H new ATOM 0 HD3 PRO A 14 5.030 15.689 0.714 1.00 0.78 H new ATOM 198 N LEU A 15 4.065 14.027 -3.730 1.00 0.73 N ATOM 199 CA LEU A 15 3.983 13.693 -5.146 1.00 0.78 C ATOM 200 C LEU A 15 5.180 12.861 -5.606 1.00 0.73 C ATOM 201 O LEU A 15 5.020 11.736 -6.082 1.00 0.79 O ATOM 202 CB LEU A 15 3.894 14.975 -5.979 1.00 0.92 C ATOM 203 CG LEU A 15 3.782 14.766 -7.492 1.00 0.98 C ATOM 204 CD1 LEU A 15 2.495 14.030 -7.838 1.00 1.00 C ATOM 205 CD2 LEU A 15 3.848 16.102 -8.217 1.00 1.15 C ATOM 0 H LEU A 15 4.493 14.931 -3.531 1.00 0.73 H new ATOM 0 HA LEU A 15 3.085 13.093 -5.292 1.00 0.78 H new ATOM 0 HB2 LEU A 15 3.030 15.548 -5.643 1.00 0.92 H new ATOM 0 HB3 LEU A 15 4.777 15.582 -5.777 1.00 0.92 H new ATOM 0 HG LEU A 15 4.622 14.154 -7.820 1.00 0.98 H new ATOM 0 HD11 LEU A 15 2.434 13.891 -8.917 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.489 13.057 -7.346 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.639 14.614 -7.498 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.767 15.937 -9.291 1.00 1.15 H new ATOM 0 HD22 LEU A 15 3.027 16.737 -7.884 1.00 1.15 H new ATOM 0 HD23 LEU A 15 4.797 16.590 -7.995 1.00 1.15 H new ATOM 217 N GLU A 16 6.370 13.435 -5.485 1.00 0.71 N ATOM 218 CA GLU A 16 7.601 12.781 -5.912 1.00 0.71 C ATOM 219 C GLU A 16 7.992 11.595 -5.029 1.00 0.63 C ATOM 220 O GLU A 16 8.753 10.727 -5.459 1.00 0.65 O ATOM 221 CB GLU A 16 8.726 13.807 -5.922 1.00 0.81 C ATOM 222 CG GLU A 16 8.588 14.847 -7.024 1.00 0.95 C ATOM 223 CD GLU A 16 8.739 14.259 -8.414 1.00 1.57 C ATOM 224 OE1 GLU A 16 9.009 13.043 -8.523 1.00 2.35 O ATOM 225 OE2 GLU A 16 8.593 15.016 -9.396 1.00 2.01 O ATOM 0 H GLU A 16 6.509 14.365 -5.089 1.00 0.71 H new ATOM 0 HA GLU A 16 7.427 12.380 -6.911 1.00 0.71 H new ATOM 0 HB2 GLU A 16 8.754 14.313 -4.957 1.00 0.81 H new ATOM 0 HB3 GLU A 16 9.678 13.290 -6.039 1.00 0.81 H new ATOM 0 HG2 GLU A 16 7.613 15.328 -6.943 1.00 0.95 H new ATOM 0 HG3 GLU A 16 9.339 15.623 -6.880 1.00 0.95 H new ATOM 232 N GLN A 17 7.490 11.559 -3.802 1.00 0.59 N ATOM 233 CA GLN A 17 7.824 10.473 -2.888 1.00 0.56 C ATOM 234 C GLN A 17 7.005 9.224 -3.189 1.00 0.55 C ATOM 235 O GLN A 17 7.422 8.108 -2.874 1.00 0.61 O ATOM 236 CB GLN A 17 7.615 10.909 -1.438 1.00 0.62 C ATOM 237 CG GLN A 17 8.469 12.100 -1.028 1.00 0.71 C ATOM 238 CD GLN A 17 9.955 11.840 -1.184 1.00 1.20 C ATOM 239 OE1 GLN A 17 10.451 11.633 -2.292 1.00 1.99 O ATOM 240 NE2 GLN A 17 10.674 11.846 -0.071 1.00 1.63 N ATOM 0 H GLN A 17 6.857 12.261 -3.419 1.00 0.59 H new ATOM 0 HA GLN A 17 8.876 10.228 -3.033 1.00 0.56 H new ATOM 0 HB2 GLN A 17 6.564 11.159 -1.291 1.00 0.62 H new ATOM 0 HB3 GLN A 17 7.838 10.069 -0.780 1.00 0.62 H new ATOM 0 HG2 GLN A 17 8.191 12.965 -1.630 1.00 0.71 H new ATOM 0 HG3 GLN A 17 8.256 12.353 0.011 1.00 0.71 H new ATOM 0 HE21 GLN A 17 10.223 12.022 0.827 1.00 1.63 H new ATOM 0 HE22 GLN A 17 11.679 11.675 -0.112 1.00 1.63 H new ATOM 249 N VAL A 18 5.845 9.414 -3.808 1.00 0.56 N ATOM 250 CA VAL A 18 4.979 8.295 -4.159 1.00 0.62 C ATOM 251 C VAL A 18 5.305 7.773 -5.549 1.00 0.60 C ATOM 252 O VAL A 18 5.145 6.584 -5.826 1.00 0.64 O ATOM 253 CB VAL A 18 3.489 8.689 -4.092 1.00 0.76 C ATOM 254 CG1 VAL A 18 2.603 7.539 -4.547 1.00 0.82 C ATOM 255 CG2 VAL A 18 3.120 9.122 -2.682 1.00 0.83 C ATOM 0 H VAL A 18 5.484 10.329 -4.076 1.00 0.56 H new ATOM 0 HA VAL A 18 5.161 7.507 -3.428 1.00 0.62 H new ATOM 0 HB VAL A 18 3.326 9.529 -4.768 1.00 0.76 H new ATOM 0 HG11 VAL A 18 1.557 7.841 -4.491 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.850 7.275 -5.575 1.00 0.82 H new ATOM 0 HG13 VAL A 18 2.767 6.676 -3.901 1.00 0.82 H new ATOM 0 HG21 VAL A 18 2.066 9.397 -2.650 1.00 0.83 H new ATOM 0 HG22 VAL A 18 3.302 8.300 -1.990 1.00 0.83 H new ATOM 0 HG23 VAL A 18 3.728 9.980 -2.394 1.00 0.83 H new ATOM 265 N ASN A 19 5.774 8.661 -6.420 1.00 0.60 N ATOM 266 CA ASN A 19 6.126 8.265 -7.773 1.00 0.64 C ATOM 267 C ASN A 19 7.257 7.242 -7.757 1.00 0.56 C ATOM 268 O ASN A 19 7.108 6.149 -8.285 1.00 0.63 O ATOM 269 CB ASN A 19 6.527 9.479 -8.614 1.00 0.72 C ATOM 270 CG ASN A 19 5.346 10.377 -8.935 1.00 0.82 C ATOM 271 OD1 ASN A 19 5.480 11.664 -8.635 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 4.330 9.922 -9.459 1.00 0.84 N flip ATOM 0 H ASN A 19 5.917 9.650 -6.213 1.00 0.60 H new ATOM 0 HA ASN A 19 5.246 7.808 -8.226 1.00 0.64 H new ATOM 0 HB2 ASN A 19 7.282 10.054 -8.079 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.984 9.139 -9.543 1.00 0.72 H new ATOM 0 HD21 ASN A 19 4.268 8.927 -9.673 1.00 0.84 H new ATOM 0 HD22 ASN A 19 3.549 10.540 -9.680 1.00 0.84 H new ATOM 279 N ALA A 20 8.385 7.603 -7.151 1.00 0.47 N ATOM 280 CA ALA A 20 9.542 6.711 -7.079 1.00 0.42 C ATOM 281 C ALA A 20 9.240 5.429 -6.304 1.00 0.35 C ATOM 282 O ALA A 20 9.745 4.361 -6.645 1.00 0.36 O ATOM 283 CB ALA A 20 10.722 7.438 -6.451 1.00 0.43 C ATOM 0 H ALA A 20 8.524 8.508 -6.702 1.00 0.47 H new ATOM 0 HA ALA A 20 9.792 6.420 -8.099 1.00 0.42 H new ATOM 0 HB1 ALA A 20 11.579 6.766 -6.402 1.00 0.43 H new ATOM 0 HB2 ALA A 20 10.977 8.308 -7.056 1.00 0.43 H new ATOM 0 HB3 ALA A 20 10.456 7.762 -5.445 1.00 0.43 H new ATOM 289 N ALA A 21 8.425 5.538 -5.261 1.00 0.36 N ATOM 290 CA ALA A 21 8.070 4.380 -4.440 1.00 0.39 C ATOM 291 C ALA A 21 7.484 3.252 -5.279 1.00 0.41 C ATOM 292 O ALA A 21 7.978 2.124 -5.246 1.00 0.44 O ATOM 293 CB ALA A 21 7.090 4.792 -3.355 1.00 0.46 C ATOM 0 H ALA A 21 7.997 6.414 -4.962 1.00 0.36 H new ATOM 0 HA ALA A 21 8.984 4.006 -3.978 1.00 0.39 H new ATOM 0 HB1 ALA A 21 6.832 3.923 -2.749 1.00 0.46 H new ATOM 0 HB2 ALA A 21 7.547 5.553 -2.722 1.00 0.46 H new ATOM 0 HB3 ALA A 21 6.187 5.196 -3.814 1.00 0.46 H new ATOM 299 N LEU A 22 6.422 3.553 -6.016 1.00 0.47 N ATOM 300 CA LEU A 22 5.765 2.550 -6.844 1.00 0.53 C ATOM 301 C LEU A 22 6.435 2.401 -8.213 1.00 0.50 C ATOM 302 O LEU A 22 6.401 1.326 -8.805 1.00 0.64 O ATOM 303 CB LEU A 22 4.272 2.882 -6.993 1.00 0.70 C ATOM 304 CG LEU A 22 3.940 4.291 -7.499 1.00 0.81 C ATOM 305 CD1 LEU A 22 4.245 4.431 -8.985 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.481 4.623 -7.224 1.00 1.35 C ATOM 0 H LEU A 22 5.999 4.480 -6.057 1.00 0.47 H new ATOM 0 HA LEU A 22 5.864 1.588 -6.340 1.00 0.53 H new ATOM 0 HB2 LEU A 22 3.826 2.159 -7.676 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.792 2.744 -6.024 1.00 0.70 H new ATOM 0 HG LEU A 22 4.570 4.998 -6.959 1.00 0.81 H new ATOM 0 HD11 LEU A 22 3.999 5.441 -9.313 1.00 1.28 H new ATOM 0 HD12 LEU A 22 5.304 4.241 -9.159 1.00 1.28 H new ATOM 0 HD13 LEU A 22 3.650 3.711 -9.548 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.261 5.626 -7.589 1.00 1.35 H new ATOM 0 HD22 LEU A 22 1.842 3.903 -7.734 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.294 4.578 -6.151 1.00 1.35 H new ATOM 318 N LYS A 23 7.036 3.475 -8.716 1.00 0.45 N ATOM 319 CA LYS A 23 7.696 3.435 -10.029 1.00 0.49 C ATOM 320 C LYS A 23 8.952 2.569 -10.007 1.00 0.43 C ATOM 321 O LYS A 23 9.272 1.904 -10.992 1.00 0.51 O ATOM 322 CB LYS A 23 8.059 4.846 -10.498 1.00 0.56 C ATOM 323 CG LYS A 23 8.787 4.881 -11.836 1.00 0.93 C ATOM 324 CD LYS A 23 7.941 4.294 -12.954 1.00 1.62 C ATOM 325 CE LYS A 23 8.678 4.325 -14.283 1.00 2.52 C ATOM 326 NZ LYS A 23 7.879 3.708 -15.378 1.00 3.23 N ATOM 0 H LYS A 23 7.083 4.378 -8.245 1.00 0.45 H new ATOM 0 HA LYS A 23 6.986 2.992 -10.727 1.00 0.49 H new ATOM 0 HB2 LYS A 23 7.148 5.439 -10.575 1.00 0.56 H new ATOM 0 HB3 LYS A 23 8.685 5.320 -9.742 1.00 0.56 H new ATOM 0 HG2 LYS A 23 9.049 5.910 -12.080 1.00 0.93 H new ATOM 0 HG3 LYS A 23 9.721 4.325 -11.756 1.00 0.93 H new ATOM 0 HD2 LYS A 23 7.674 3.266 -12.709 1.00 1.62 H new ATOM 0 HD3 LYS A 23 7.010 4.854 -13.040 1.00 1.62 H new ATOM 0 HE2 LYS A 23 8.913 5.357 -14.543 1.00 2.52 H new ATOM 0 HE3 LYS A 23 9.626 3.797 -14.184 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 8.418 3.750 -16.267 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 7.676 2.716 -15.143 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 6.985 4.227 -15.490 1.00 3.23 H new ATOM 340 N ALA A 24 9.665 2.595 -8.888 1.00 0.37 N ATOM 341 CA ALA A 24 10.897 1.823 -8.740 1.00 0.41 C ATOM 342 C ALA A 24 10.676 0.337 -9.021 1.00 0.41 C ATOM 343 O ALA A 24 11.635 -0.412 -9.215 1.00 0.43 O ATOM 344 CB ALA A 24 11.472 2.016 -7.348 1.00 0.46 C ATOM 0 H ALA A 24 9.412 3.143 -8.066 1.00 0.37 H new ATOM 0 HA ALA A 24 11.609 2.193 -9.478 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.390 1.436 -7.250 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.691 3.072 -7.188 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.749 1.679 -6.606 1.00 0.46 H new ATOM 350 N LEU A 25 9.417 -0.085 -9.034 1.00 0.43 N ATOM 351 CA LEU A 25 9.084 -1.486 -9.283 1.00 0.48 C ATOM 352 C LEU A 25 9.436 -1.897 -10.710 1.00 0.49 C ATOM 353 O LEU A 25 9.595 -3.082 -11.002 1.00 0.57 O ATOM 354 CB LEU A 25 7.596 -1.725 -9.021 1.00 0.53 C ATOM 355 CG LEU A 25 7.132 -1.398 -7.599 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.630 -1.589 -7.468 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.871 -2.259 -6.587 1.00 1.00 C ATOM 0 H LEU A 25 8.611 0.519 -8.876 1.00 0.43 H new ATOM 0 HA LEU A 25 9.675 -2.098 -8.602 1.00 0.48 H new ATOM 0 HB2 LEU A 25 7.017 -1.125 -9.724 1.00 0.53 H new ATOM 0 HB3 LEU A 25 7.368 -2.770 -9.231 1.00 0.53 H new ATOM 0 HG LEU A 25 7.362 -0.352 -7.395 1.00 0.70 H new ATOM 0 HD11 LEU A 25 5.320 -1.352 -6.450 1.00 0.95 H new ATOM 0 HD12 LEU A 25 5.117 -0.928 -8.167 1.00 0.95 H new ATOM 0 HD13 LEU A 25 5.374 -2.624 -7.693 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.529 -2.013 -5.582 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.673 -3.311 -6.791 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.942 -2.070 -6.662 1.00 1.00 H new ATOM 369 N GLY A 26 9.556 -0.912 -11.594 1.00 0.47 N ATOM 370 CA GLY A 26 9.887 -1.194 -12.979 1.00 0.53 C ATOM 371 C GLY A 26 11.270 -1.796 -13.136 1.00 0.50 C ATOM 372 O GLY A 26 11.591 -2.369 -14.179 1.00 0.64 O ATOM 0 H GLY A 26 9.430 0.076 -11.376 1.00 0.47 H new ATOM 0 HA2 GLY A 26 9.147 -1.879 -13.394 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.828 -0.272 -13.558 1.00 0.53 H new ATOM 376 N ASP A 27 12.091 -1.671 -12.098 1.00 0.43 N ATOM 377 CA ASP A 27 13.447 -2.208 -12.121 1.00 0.46 C ATOM 378 C ASP A 27 13.585 -3.347 -11.113 1.00 0.41 C ATOM 379 O ASP A 27 14.527 -4.136 -11.171 1.00 0.56 O ATOM 380 CB ASP A 27 14.457 -1.098 -11.806 1.00 0.59 C ATOM 381 CG ASP A 27 15.897 -1.534 -12.015 1.00 1.05 C ATOM 382 OD1 ASP A 27 16.117 -2.668 -12.490 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.806 -0.731 -11.711 1.00 1.48 O ATOM 0 H ASP A 27 11.840 -1.201 -11.228 1.00 0.43 H new ATOM 0 HA ASP A 27 13.651 -2.600 -13.118 1.00 0.46 H new ATOM 0 HB2 ASP A 27 14.249 -0.234 -12.437 1.00 0.59 H new ATOM 0 HB3 ASP A 27 14.326 -0.777 -10.773 1.00 0.59 H new ATOM 388 N ILE A 28 12.627 -3.425 -10.195 1.00 0.37 N ATOM 389 CA ILE A 28 12.618 -4.462 -9.170 1.00 0.36 C ATOM 390 C ILE A 28 12.734 -5.860 -9.783 1.00 0.42 C ATOM 391 O ILE A 28 12.166 -6.129 -10.844 1.00 0.47 O ATOM 392 CB ILE A 28 11.332 -4.371 -8.311 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.431 -3.196 -7.325 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.068 -5.674 -7.576 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.610 -3.292 -6.378 1.00 1.27 C ATOM 0 H ILE A 28 11.841 -2.777 -10.141 1.00 0.37 H new ATOM 0 HA ILE A 28 13.487 -4.296 -8.533 1.00 0.36 H new ATOM 0 HB ILE A 28 10.489 -4.193 -8.979 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.504 -2.266 -7.888 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.511 -3.144 -6.742 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.159 -5.579 -6.982 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.946 -6.481 -8.298 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.909 -5.898 -6.920 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.614 -2.428 -5.713 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.529 -4.204 -5.787 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.537 -3.312 -6.952 1.00 1.27 H new ATOM 407 N PRO A 29 13.471 -6.775 -9.119 1.00 0.49 N ATOM 408 CA PRO A 29 13.657 -8.148 -9.595 1.00 0.65 C ATOM 409 C PRO A 29 12.386 -8.974 -9.436 1.00 0.73 C ATOM 410 O PRO A 29 11.703 -8.883 -8.415 1.00 0.77 O ATOM 411 CB PRO A 29 14.775 -8.706 -8.696 1.00 0.75 C ATOM 412 CG PRO A 29 15.308 -7.531 -7.940 1.00 0.74 C ATOM 413 CD PRO A 29 14.176 -6.553 -7.850 1.00 0.51 C ATOM 0 HA PRO A 29 13.903 -8.182 -10.656 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.389 -9.466 -8.017 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.558 -9.177 -9.291 1.00 0.75 H new ATOM 0 HG2 PRO A 29 15.649 -7.827 -6.948 1.00 0.74 H new ATOM 0 HG3 PRO A 29 16.164 -7.092 -8.453 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.536 -6.749 -6.989 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.531 -5.527 -7.756 1.00 0.51 H new ATOM 421 N GLU A 30 12.070 -9.770 -10.454 1.00 0.83 N ATOM 422 CA GLU A 30 10.870 -10.600 -10.430 1.00 0.95 C ATOM 423 C GLU A 30 9.659 -9.756 -10.085 1.00 0.84 C ATOM 424 O GLU A 30 9.095 -9.884 -9.001 1.00 1.18 O ATOM 425 CB GLU A 30 11.009 -11.732 -9.413 1.00 1.17 C ATOM 426 CG GLU A 30 12.282 -12.526 -9.582 1.00 1.47 C ATOM 427 CD GLU A 30 12.286 -13.816 -8.780 1.00 2.16 C ATOM 428 OE1 GLU A 30 11.277 -14.093 -8.099 1.00 2.84 O ATOM 429 OE2 GLU A 30 13.299 -14.546 -8.833 1.00 2.65 O ATOM 0 H GLU A 30 12.627 -9.858 -11.304 1.00 0.83 H new ATOM 0 HA GLU A 30 10.741 -11.035 -11.421 1.00 0.95 H new ATOM 0 HB2 GLU A 30 10.979 -11.314 -8.407 1.00 1.17 H new ATOM 0 HB3 GLU A 30 10.155 -12.402 -9.505 1.00 1.17 H new ATOM 0 HG2 GLU A 30 12.421 -12.760 -10.638 1.00 1.47 H new ATOM 0 HG3 GLU A 30 13.130 -11.912 -9.278 1.00 1.47 H new ATOM 436 N SER A 31 9.273 -8.887 -11.006 1.00 0.60 N ATOM 437 CA SER A 31 8.134 -8.011 -10.786 1.00 0.54 C ATOM 438 C SER A 31 7.843 -7.167 -12.014 1.00 0.47 C ATOM 439 O SER A 31 8.748 -6.827 -12.778 1.00 0.59 O ATOM 440 CB SER A 31 8.392 -7.100 -9.592 1.00 0.57 C ATOM 441 OG SER A 31 7.281 -6.272 -9.338 1.00 1.37 O ATOM 0 H SER A 31 9.730 -8.770 -11.910 1.00 0.60 H new ATOM 0 HA SER A 31 7.266 -8.639 -10.585 1.00 0.54 H new ATOM 0 HB2 SER A 31 8.609 -7.703 -8.710 1.00 0.57 H new ATOM 0 HB3 SER A 31 9.272 -6.485 -9.783 1.00 0.57 H new ATOM 0 HG SER A 31 7.582 -5.347 -9.221 1.00 1.37 H new ATOM 447 N HIS A 32 6.573 -6.830 -12.190 1.00 0.38 N ATOM 448 CA HIS A 32 6.137 -6.019 -13.327 1.00 0.42 C ATOM 449 C HIS A 32 4.854 -5.268 -12.986 1.00 0.39 C ATOM 450 O HIS A 32 3.858 -5.878 -12.614 1.00 0.39 O ATOM 451 CB HIS A 32 5.893 -6.895 -14.563 1.00 0.52 C ATOM 452 CG HIS A 32 7.082 -7.687 -15.019 1.00 1.10 C ATOM 453 ND1 HIS A 32 7.605 -8.744 -14.305 1.00 1.90 N ATOM 454 CD2 HIS A 32 7.854 -7.566 -16.124 1.00 1.90 C ATOM 455 CE1 HIS A 32 8.647 -9.240 -14.950 1.00 2.46 C ATOM 456 NE2 HIS A 32 8.817 -8.541 -16.057 1.00 2.42 N ATOM 0 H HIS A 32 5.821 -7.105 -11.559 1.00 0.38 H new ATOM 0 HA HIS A 32 6.930 -5.304 -13.547 1.00 0.42 H new ATOM 0 HB2 HIS A 32 5.077 -7.584 -14.347 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.563 -6.257 -15.383 1.00 0.52 H new ATOM 0 HD2 HIS A 32 7.734 -6.837 -16.912 1.00 1.90 H new ATOM 0 HE1 HIS A 32 9.254 -10.073 -14.627 1.00 2.46 H new ATOM 0 HE2 HIS A 32 9.547 -8.700 -16.751 1.00 2.42 H new ATOM 465 N ILE A 33 4.873 -3.946 -13.124 1.00 0.42 N ATOM 466 CA ILE A 33 3.693 -3.140 -12.830 1.00 0.42 C ATOM 467 C ILE A 33 2.698 -3.160 -13.986 1.00 0.41 C ATOM 468 O ILE A 33 3.069 -2.988 -15.147 1.00 0.48 O ATOM 469 CB ILE A 33 4.065 -1.681 -12.484 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.518 -1.593 -11.030 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.891 -0.741 -12.741 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.882 -0.195 -10.591 1.00 0.70 C ATOM 0 H ILE A 33 5.685 -3.413 -13.435 1.00 0.42 H new ATOM 0 HA ILE A 33 3.221 -3.590 -11.957 1.00 0.42 H new ATOM 0 HB ILE A 33 4.886 -1.369 -13.130 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.723 -1.970 -10.387 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.380 -2.245 -10.887 1.00 0.61 H new ATOM 0 HG21 ILE A 33 3.180 0.279 -12.489 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.610 -0.789 -13.793 1.00 0.79 H new ATOM 0 HG23 ILE A 33 2.043 -1.041 -12.125 1.00 0.79 H new ATOM 0 HD11 ILE A 33 5.194 -0.211 -9.547 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.699 0.179 -11.208 1.00 0.70 H new ATOM 0 HD13 ILE A 33 4.016 0.458 -10.701 1.00 0.70 H new ATOM 484 N LEU A 34 1.425 -3.372 -13.652 1.00 0.39 N ATOM 485 CA LEU A 34 0.363 -3.419 -14.649 1.00 0.40 C ATOM 486 C LEU A 34 -0.373 -2.084 -14.729 1.00 0.37 C ATOM 487 O LEU A 34 -0.274 -1.372 -15.729 1.00 0.50 O ATOM 488 CB LEU A 34 -0.625 -4.541 -14.312 1.00 0.43 C ATOM 489 CG LEU A 34 -1.806 -4.682 -15.276 1.00 0.66 C ATOM 490 CD1 LEU A 34 -1.321 -5.014 -16.681 1.00 1.42 C ATOM 491 CD2 LEU A 34 -2.771 -5.749 -14.778 1.00 1.39 C ATOM 0 H LEU A 34 1.106 -3.514 -12.694 1.00 0.39 H new ATOM 0 HA LEU A 34 0.817 -3.618 -15.620 1.00 0.40 H new ATOM 0 HB2 LEU A 34 -0.082 -5.486 -14.287 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.014 -4.371 -13.308 1.00 0.43 H new ATOM 0 HG LEU A 34 -2.332 -3.728 -15.316 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -2.177 -5.109 -17.348 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -0.669 -4.217 -17.039 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -0.769 -5.954 -16.663 1.00 1.42 H new ATOM 0 HD21 LEU A 34 -3.606 -5.838 -15.474 1.00 1.39 H new ATOM 0 HD22 LEU A 34 -2.252 -6.705 -14.709 1.00 1.39 H new ATOM 0 HD23 LEU A 34 -3.147 -5.469 -13.794 1.00 1.39 H new ATOM 503 N THR A 35 -1.117 -1.749 -13.676 1.00 0.30 N ATOM 504 CA THR A 35 -1.870 -0.500 -13.642 1.00 0.33 C ATOM 505 C THR A 35 -1.634 0.232 -12.322 1.00 0.34 C ATOM 506 O THR A 35 -1.023 -0.309 -11.402 1.00 0.44 O ATOM 507 CB THR A 35 -3.364 -0.780 -13.820 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.567 -1.803 -14.781 1.00 0.97 O ATOM 509 CG2 THR A 35 -4.158 0.425 -14.277 1.00 0.93 C ATOM 0 H THR A 35 -1.213 -2.324 -12.839 1.00 0.30 H new ATOM 0 HA THR A 35 -1.525 0.132 -14.460 1.00 0.33 H new ATOM 0 HB THR A 35 -3.717 -1.075 -12.832 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.527 -1.971 -14.882 1.00 0.97 H new ATOM 0 HG21 THR A 35 -5.208 0.151 -14.381 1.00 0.93 H new ATOM 0 HG22 THR A 35 -4.063 1.224 -13.541 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.776 0.769 -15.238 1.00 0.93 H new ATOM 517 N VAL A 36 -2.124 1.467 -12.238 1.00 0.33 N ATOM 518 CA VAL A 36 -1.971 2.278 -11.034 1.00 0.39 C ATOM 519 C VAL A 36 -3.225 3.105 -10.764 1.00 0.36 C ATOM 520 O VAL A 36 -3.915 3.522 -11.695 1.00 0.38 O ATOM 521 CB VAL A 36 -0.758 3.228 -11.142 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.587 4.032 -9.861 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.508 2.451 -11.464 1.00 1.21 C ATOM 0 H VAL A 36 -2.632 1.928 -12.993 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.809 1.586 -10.208 1.00 0.39 H new ATOM 0 HB VAL A 36 -0.945 3.926 -11.958 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.273 4.694 -9.959 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -1.483 4.625 -9.682 1.00 1.05 H new ATOM 0 HG13 VAL A 36 -0.428 3.353 -9.024 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.350 3.140 -11.535 1.00 1.21 H new ATOM 0 HG22 VAL A 36 0.700 1.725 -10.674 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.384 1.930 -12.414 1.00 1.21 H new ATOM 533 N SER A 37 -3.515 3.339 -9.488 1.00 0.35 N ATOM 534 CA SER A 37 -4.684 4.121 -9.094 1.00 0.35 C ATOM 535 C SER A 37 -4.382 5.617 -9.159 1.00 0.40 C ATOM 536 O SER A 37 -3.341 6.025 -9.676 1.00 0.72 O ATOM 537 CB SER A 37 -5.122 3.733 -7.680 1.00 0.36 C ATOM 538 OG SER A 37 -4.119 4.049 -6.731 1.00 1.35 O ATOM 0 H SER A 37 -2.955 2.998 -8.707 1.00 0.35 H new ATOM 0 HA SER A 37 -5.494 3.904 -9.790 1.00 0.35 H new ATOM 0 HB2 SER A 37 -6.045 4.254 -7.426 1.00 0.36 H new ATOM 0 HB3 SER A 37 -5.339 2.665 -7.643 1.00 0.36 H new ATOM 0 HG SER A 37 -3.348 3.458 -6.860 1.00 1.35 H new ATOM 544 N SER A 38 -5.295 6.431 -8.633 1.00 0.43 N ATOM 545 CA SER A 38 -5.118 7.880 -8.635 1.00 0.45 C ATOM 546 C SER A 38 -4.527 8.350 -7.309 1.00 0.47 C ATOM 547 O SER A 38 -4.307 7.546 -6.405 1.00 0.70 O ATOM 548 CB SER A 38 -6.453 8.579 -8.892 1.00 0.50 C ATOM 549 OG SER A 38 -7.005 8.183 -10.137 1.00 1.19 O ATOM 0 H SER A 38 -6.162 6.112 -8.201 1.00 0.43 H new ATOM 0 HA SER A 38 -4.425 8.139 -9.436 1.00 0.45 H new ATOM 0 HB2 SER A 38 -7.151 8.342 -8.089 1.00 0.50 H new ATOM 0 HB3 SER A 38 -6.309 9.659 -8.881 1.00 0.50 H new ATOM 0 HG SER A 38 -7.859 8.643 -10.277 1.00 1.19 H new ATOM 555 N PHE A 39 -4.277 9.651 -7.192 1.00 0.38 N ATOM 556 CA PHE A 39 -3.714 10.204 -5.965 1.00 0.43 C ATOM 557 C PHE A 39 -4.829 10.718 -5.064 1.00 0.40 C ATOM 558 O PHE A 39 -5.555 11.643 -5.424 1.00 0.65 O ATOM 559 CB PHE A 39 -2.724 11.339 -6.266 1.00 0.59 C ATOM 560 CG PHE A 39 -1.757 11.039 -7.381 1.00 1.42 C ATOM 561 CD1 PHE A 39 -2.189 10.957 -8.697 1.00 1.93 C ATOM 562 CD2 PHE A 39 -0.410 10.852 -7.114 1.00 2.21 C ATOM 563 CE1 PHE A 39 -1.298 10.689 -9.721 1.00 2.75 C ATOM 564 CE2 PHE A 39 0.485 10.585 -8.132 1.00 3.01 C ATOM 565 CZ PHE A 39 0.040 10.504 -9.437 1.00 3.17 C ATOM 0 H PHE A 39 -4.454 10.337 -7.926 1.00 0.38 H new ATOM 0 HA PHE A 39 -3.173 9.407 -5.456 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -3.286 12.238 -6.520 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -2.159 11.562 -5.361 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -3.234 11.104 -8.925 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -0.055 10.916 -6.096 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -1.649 10.625 -10.740 1.00 2.75 H new ATOM 0 HE2 PHE A 39 1.531 10.440 -7.908 1.00 3.01 H new ATOM 0 HZ PHE A 39 0.738 10.296 -10.234 1.00 3.17 H new ATOM 575 N TYR A 40 -4.972 10.100 -3.896 1.00 0.38 N ATOM 576 CA TYR A 40 -6.012 10.489 -2.955 1.00 0.37 C ATOM 577 C TYR A 40 -5.450 11.379 -1.852 1.00 0.40 C ATOM 578 O TYR A 40 -4.300 11.233 -1.451 1.00 0.53 O ATOM 579 CB TYR A 40 -6.666 9.247 -2.342 1.00 0.44 C ATOM 580 CG TYR A 40 -7.233 8.282 -3.363 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.395 7.557 -4.199 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.606 8.104 -3.499 1.00 0.59 C ATOM 583 CE1 TYR A 40 -6.906 6.681 -5.137 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.123 7.229 -4.435 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.276 6.500 -5.230 1.00 0.66 C ATOM 586 OH TYR A 40 -8.781 5.649 -6.185 1.00 0.76 O ATOM 0 H TYR A 40 -4.382 9.330 -3.581 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.765 11.056 -3.502 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -5.929 8.724 -1.733 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.466 9.563 -1.673 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.325 7.680 -4.115 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.279 8.659 -2.862 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.241 6.140 -5.794 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.192 7.119 -4.540 1.00 0.67 H new ATOM 0 HH TYR A 40 -9.759 5.629 -6.121 1.00 0.76 H new ATOM 596 N ARG A 41 -6.280 12.291 -1.357 1.00 0.43 N ATOM 597 CA ARG A 41 -5.876 13.197 -0.288 1.00 0.50 C ATOM 598 C ARG A 41 -6.665 12.882 0.972 1.00 0.54 C ATOM 599 O ARG A 41 -7.858 13.167 1.051 1.00 0.67 O ATOM 600 CB ARG A 41 -6.110 14.653 -0.686 1.00 0.66 C ATOM 601 CG ARG A 41 -5.531 15.650 0.303 1.00 0.69 C ATOM 602 CD ARG A 41 -5.937 17.073 -0.037 1.00 0.94 C ATOM 603 NE ARG A 41 -5.405 18.039 0.921 1.00 1.56 N ATOM 604 CZ ARG A 41 -5.628 19.348 0.845 1.00 2.07 C ATOM 605 NH1 ARG A 41 -6.364 19.842 -0.140 1.00 2.32 N ATOM 606 NH2 ARG A 41 -5.114 20.163 1.759 1.00 2.95 N ATOM 0 H ARG A 41 -7.239 12.422 -1.680 1.00 0.43 H new ATOM 0 HA ARG A 41 -4.811 13.057 -0.104 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -5.670 14.829 -1.667 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.182 14.828 -0.782 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.871 15.405 1.309 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -4.444 15.572 0.305 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -5.582 17.322 -1.037 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -7.024 17.144 -0.058 1.00 0.94 H new ATOM 0 HE ARG A 41 -4.832 17.691 1.689 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -6.761 19.218 -0.842 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -6.533 20.846 -0.196 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -4.548 19.785 2.519 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -5.285 21.167 1.701 1.00 2.95 H new ATOM 620 N THR A 42 -6.006 12.264 1.943 1.00 0.61 N ATOM 621 CA THR A 42 -6.676 11.882 3.176 1.00 0.73 C ATOM 622 C THR A 42 -5.756 12.025 4.383 1.00 0.84 C ATOM 623 O THR A 42 -4.535 12.023 4.246 1.00 1.10 O ATOM 624 CB THR A 42 -7.146 10.433 3.061 1.00 0.81 C ATOM 625 OG1 THR A 42 -6.056 9.538 3.208 1.00 1.30 O ATOM 626 CG2 THR A 42 -7.795 10.129 1.730 1.00 1.28 C ATOM 0 H THR A 42 -5.017 12.019 1.901 1.00 0.61 H new ATOM 0 HA THR A 42 -7.527 12.548 3.324 1.00 0.73 H new ATOM 0 HB THR A 42 -7.880 10.301 3.856 1.00 0.81 H new ATOM 0 HG1 THR A 42 -6.178 8.773 2.608 1.00 1.30 H new ATOM 0 HG21 THR A 42 -8.108 9.085 1.708 1.00 1.28 H new ATOM 0 HG22 THR A 42 -8.665 10.772 1.594 1.00 1.28 H new ATOM 0 HG23 THR A 42 -7.081 10.311 0.927 1.00 1.28 H new ATOM 634 N PRO A 43 -6.332 12.133 5.596 1.00 0.74 N ATOM 635 CA PRO A 43 -5.561 12.254 6.825 1.00 0.86 C ATOM 636 C PRO A 43 -5.153 10.884 7.362 1.00 0.90 C ATOM 637 O PRO A 43 -6.009 10.039 7.629 1.00 0.94 O ATOM 638 CB PRO A 43 -6.546 12.932 7.770 1.00 0.98 C ATOM 639 CG PRO A 43 -7.885 12.433 7.341 1.00 0.87 C ATOM 640 CD PRO A 43 -7.787 12.132 5.864 1.00 0.71 C ATOM 0 HA PRO A 43 -4.629 12.803 6.694 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -6.341 12.673 8.809 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -6.485 14.018 7.694 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.161 11.539 7.900 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -8.655 13.180 7.533 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.237 11.169 5.622 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.303 12.884 5.268 1.00 0.71 H new ATOM 648 N PRO A 44 -3.842 10.634 7.523 1.00 0.98 N ATOM 649 CA PRO A 44 -3.347 9.350 8.022 1.00 1.12 C ATOM 650 C PRO A 44 -3.836 9.047 9.436 1.00 1.19 C ATOM 651 O PRO A 44 -4.764 9.681 9.934 1.00 2.06 O ATOM 652 CB PRO A 44 -1.822 9.487 7.994 1.00 1.28 C ATOM 653 CG PRO A 44 -1.529 10.695 7.171 1.00 1.18 C ATOM 654 CD PRO A 44 -2.748 11.574 7.225 1.00 1.03 C ATOM 0 HA PRO A 44 -3.710 8.523 7.412 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -1.422 9.596 9.002 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -1.359 8.600 7.562 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -0.657 11.222 7.558 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.302 10.414 6.143 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -2.656 12.339 7.996 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -2.911 12.092 6.280 1.00 1.03 H new ATOM 662 N LEU A 45 -3.205 8.067 10.071 1.00 0.99 N ATOM 663 CA LEU A 45 -3.575 7.662 11.422 1.00 1.03 C ATOM 664 C LEU A 45 -2.340 7.254 12.214 1.00 1.08 C ATOM 665 O LEU A 45 -1.654 6.297 11.860 1.00 1.32 O ATOM 666 CB LEU A 45 -4.578 6.502 11.369 1.00 1.15 C ATOM 667 CG LEU A 45 -5.939 6.843 10.754 1.00 1.53 C ATOM 668 CD1 LEU A 45 -6.798 5.593 10.633 1.00 1.83 C ATOM 669 CD2 LEU A 45 -6.652 7.900 11.588 1.00 2.21 C ATOM 0 H LEU A 45 -2.432 7.536 9.670 1.00 0.99 H new ATOM 0 HA LEU A 45 -4.042 8.510 11.923 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -4.134 5.685 10.800 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -4.737 6.134 12.383 1.00 1.15 H new ATOM 0 HG LEU A 45 -5.773 7.246 9.755 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -7.761 5.854 10.194 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -6.294 4.866 9.996 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -6.955 5.162 11.622 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -7.617 8.130 11.136 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -6.805 7.523 12.599 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -6.045 8.804 11.626 1.00 2.21 H new ATOM 681 N GLY A 46 -2.059 7.989 13.284 1.00 1.09 N ATOM 682 CA GLY A 46 -0.900 7.690 14.103 1.00 1.18 C ATOM 683 C GLY A 46 0.059 8.866 14.233 1.00 1.11 C ATOM 684 O GLY A 46 -0.367 10.001 14.451 1.00 1.19 O ATOM 0 H GLY A 46 -2.613 8.786 13.598 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -1.232 7.388 15.096 1.00 1.18 H new ATOM 0 HA3 GLY A 46 -0.368 6.841 13.673 1.00 1.18 H new ATOM 688 N PRO A 47 1.372 8.609 14.157 1.00 1.12 N ATOM 689 CA PRO A 47 2.408 9.619 14.311 1.00 1.16 C ATOM 690 C PRO A 47 3.145 9.998 13.017 1.00 1.14 C ATOM 691 O PRO A 47 3.467 9.130 12.205 1.00 1.99 O ATOM 692 CB PRO A 47 3.360 8.874 15.218 1.00 1.36 C ATOM 693 CG PRO A 47 3.283 7.440 14.756 1.00 1.39 C ATOM 694 CD PRO A 47 1.982 7.290 13.997 1.00 1.26 C ATOM 0 HA PRO A 47 2.006 10.569 14.662 1.00 1.16 H new ATOM 0 HB2 PRO A 47 4.374 9.264 15.134 1.00 1.36 H new ATOM 0 HB3 PRO A 47 3.068 8.970 16.264 1.00 1.36 H new ATOM 0 HG2 PRO A 47 4.132 7.194 14.118 1.00 1.39 H new ATOM 0 HG3 PRO A 47 3.315 6.759 15.606 1.00 1.39 H new ATOM 0 HD2 PRO A 47 2.149 7.044 12.948 1.00 1.26 H new ATOM 0 HD3 PRO A 47 1.357 6.500 14.414 1.00 1.26 H new ATOM 702 N GLN A 48 3.453 11.301 12.880 1.00 0.95 N ATOM 703 CA GLN A 48 4.206 11.853 11.735 1.00 0.84 C ATOM 704 C GLN A 48 3.880 13.338 11.530 1.00 0.90 C ATOM 705 O GLN A 48 4.773 14.186 11.541 1.00 1.04 O ATOM 706 CB GLN A 48 3.961 11.083 10.421 1.00 0.83 C ATOM 707 CG GLN A 48 2.627 11.375 9.739 1.00 1.00 C ATOM 708 CD GLN A 48 1.420 10.921 10.536 1.00 1.29 C ATOM 709 OE1 GLN A 48 1.219 11.314 11.684 1.00 2.23 O ATOM 710 NE2 GLN A 48 0.592 10.105 9.917 1.00 1.15 N ATOM 0 H GLN A 48 3.185 12.007 13.565 1.00 0.95 H new ATOM 0 HA GLN A 48 5.260 11.739 11.987 1.00 0.84 H new ATOM 0 HB2 GLN A 48 4.766 11.318 9.725 1.00 0.83 H new ATOM 0 HB3 GLN A 48 4.020 10.014 10.628 1.00 0.83 H new ATOM 0 HG2 GLN A 48 2.549 12.447 9.558 1.00 1.00 H new ATOM 0 HG3 GLN A 48 2.613 10.886 8.765 1.00 1.00 H new ATOM 0 HE21 GLN A 48 0.793 9.801 8.964 1.00 1.15 H new ATOM 0 HE22 GLN A 48 -0.250 9.777 10.390 1.00 1.15 H new ATOM 719 N ASP A 49 2.595 13.629 11.336 1.00 0.99 N ATOM 720 CA ASP A 49 2.098 14.983 11.113 1.00 1.16 C ATOM 721 C ASP A 49 0.637 14.905 10.692 1.00 1.20 C ATOM 722 O ASP A 49 -0.215 15.642 11.188 1.00 1.33 O ATOM 723 CB ASP A 49 2.914 15.704 10.034 1.00 1.28 C ATOM 724 CG ASP A 49 2.482 17.146 9.847 1.00 1.51 C ATOM 725 OD1 ASP A 49 2.557 17.919 10.825 1.00 1.81 O ATOM 726 OD2 ASP A 49 2.071 17.502 8.725 1.00 1.70 O ATOM 0 H ASP A 49 1.861 12.921 11.329 1.00 0.99 H new ATOM 0 HA ASP A 49 2.195 15.551 12.038 1.00 1.16 H new ATOM 0 HB2 ASP A 49 3.970 15.676 10.302 1.00 1.28 H new ATOM 0 HB3 ASP A 49 2.811 15.172 9.088 1.00 1.28 H new ATOM 731 N GLN A 50 0.366 13.971 9.784 1.00 1.19 N ATOM 732 CA GLN A 50 -0.982 13.729 9.281 1.00 1.31 C ATOM 733 C GLN A 50 -1.608 14.975 8.667 1.00 1.33 C ATOM 734 O GLN A 50 -2.620 15.487 9.149 1.00 1.40 O ATOM 735 CB GLN A 50 -1.853 13.178 10.399 1.00 1.42 C ATOM 736 CG GLN A 50 -1.965 11.670 10.366 1.00 1.67 C ATOM 737 CD GLN A 50 -2.187 11.054 11.724 1.00 1.43 C ATOM 738 OE1 GLN A 50 -1.290 10.157 12.107 1.00 2.03 O flip ATOM 739 NE2 GLN A 50 -3.151 11.374 12.419 1.00 1.24 N flip ATOM 0 H GLN A 50 1.075 13.361 9.377 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.911 12.994 8.480 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -1.441 13.486 11.360 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -2.850 13.613 10.325 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -2.788 11.389 9.709 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.055 11.255 9.932 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -3.815 12.070 12.080 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -3.286 10.943 13.334 1.00 1.24 H new ATOM 748 N PRO A 51 -1.007 15.471 7.576 1.00 1.35 N ATOM 749 CA PRO A 51 -1.477 16.645 6.859 1.00 1.46 C ATOM 750 C PRO A 51 -2.402 16.290 5.691 1.00 1.54 C ATOM 751 O PRO A 51 -3.625 16.293 5.833 1.00 2.26 O ATOM 752 CB PRO A 51 -0.174 17.257 6.340 1.00 1.52 C ATOM 753 CG PRO A 51 0.841 16.145 6.346 1.00 1.53 C ATOM 754 CD PRO A 51 0.193 14.926 6.948 1.00 1.37 C ATOM 0 HA PRO A 51 -2.069 17.308 7.490 1.00 1.46 H new ATOM 0 HB2 PRO A 51 -0.305 17.659 5.336 1.00 1.52 H new ATOM 0 HB3 PRO A 51 0.149 18.083 6.974 1.00 1.52 H new ATOM 0 HG2 PRO A 51 1.181 15.934 5.332 1.00 1.53 H new ATOM 0 HG3 PRO A 51 1.719 16.434 6.923 1.00 1.53 H new ATOM 0 HD2 PRO A 51 -0.050 14.182 6.190 1.00 1.37 H new ATOM 0 HD3 PRO A 51 0.844 14.440 7.675 1.00 1.37 H new ATOM 762 N ASP A 52 -1.808 15.985 4.534 1.00 1.24 N ATOM 763 CA ASP A 52 -2.569 15.631 3.339 1.00 1.23 C ATOM 764 C ASP A 52 -1.984 14.385 2.670 1.00 0.91 C ATOM 765 O ASP A 52 -1.533 14.427 1.525 1.00 1.55 O ATOM 766 CB ASP A 52 -2.588 16.808 2.359 1.00 1.67 C ATOM 767 CG ASP A 52 -1.207 17.389 2.118 1.00 2.16 C ATOM 768 OD1 ASP A 52 -0.326 16.652 1.626 1.00 2.69 O ATOM 769 OD2 ASP A 52 -1.005 18.585 2.421 1.00 2.56 O ATOM 0 H ASP A 52 -0.797 15.977 4.402 1.00 1.24 H new ATOM 0 HA ASP A 52 -3.593 15.405 3.636 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -3.010 16.479 1.410 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -3.244 17.588 2.746 1.00 1.67 H new ATOM 774 N TYR A 53 -1.990 13.285 3.414 1.00 0.76 N ATOM 775 CA TYR A 53 -1.461 12.006 2.947 1.00 1.08 C ATOM 776 C TYR A 53 -1.962 11.644 1.551 1.00 0.87 C ATOM 777 O TYR A 53 -3.142 11.350 1.364 1.00 0.98 O ATOM 778 CB TYR A 53 -1.874 10.915 3.931 1.00 1.83 C ATOM 779 CG TYR A 53 -1.015 9.671 3.897 1.00 2.62 C ATOM 780 CD1 TYR A 53 0.368 9.763 3.916 1.00 3.32 C ATOM 781 CD2 TYR A 53 -1.591 8.410 3.872 1.00 3.26 C ATOM 782 CE1 TYR A 53 1.156 8.630 3.904 1.00 4.46 C ATOM 783 CE2 TYR A 53 -0.811 7.270 3.862 1.00 4.34 C ATOM 784 CZ TYR A 53 0.563 7.386 3.876 1.00 4.90 C ATOM 785 OH TYR A 53 1.346 6.254 3.866 1.00 6.13 O ATOM 0 H TYR A 53 -2.363 13.254 4.363 1.00 0.76 H new ATOM 0 HA TYR A 53 -0.376 12.092 2.890 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -1.851 11.328 4.940 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -2.906 10.632 3.726 1.00 1.83 H new ATOM 0 HD1 TYR A 53 0.836 10.736 3.941 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -2.667 8.318 3.860 1.00 3.26 H new ATOM 0 HE1 TYR A 53 2.232 8.718 3.916 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -1.274 6.295 3.843 1.00 4.34 H new ATOM 0 HH TYR A 53 0.772 5.460 3.847 1.00 6.13 H new ATOM 795 N LEU A 54 -1.052 11.629 0.579 1.00 0.72 N ATOM 796 CA LEU A 54 -1.406 11.261 -0.785 1.00 0.59 C ATOM 797 C LEU A 54 -1.060 9.795 -1.017 1.00 0.61 C ATOM 798 O LEU A 54 0.112 9.418 -1.012 1.00 0.88 O ATOM 799 CB LEU A 54 -0.698 12.165 -1.805 1.00 0.60 C ATOM 800 CG LEU A 54 -0.934 11.816 -3.276 1.00 0.54 C ATOM 801 CD1 LEU A 54 -0.719 13.043 -4.149 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.005 10.694 -3.720 1.00 1.10 C ATOM 0 H LEU A 54 -0.069 11.867 0.712 1.00 0.72 H new ATOM 0 HA LEU A 54 -2.478 11.400 -0.923 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -1.021 13.193 -1.638 1.00 0.60 H new ATOM 0 HB3 LEU A 54 0.374 12.132 -1.610 1.00 0.60 H new ATOM 0 HG LEU A 54 -1.964 11.477 -3.385 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -0.890 12.781 -5.193 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -1.416 13.827 -3.853 1.00 0.92 H new ATOM 0 HD13 LEU A 54 0.303 13.401 -4.028 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.190 10.462 -4.769 1.00 1.10 H new ATOM 0 HD22 LEU A 54 1.031 11.009 -3.595 1.00 1.10 H new ATOM 0 HD23 LEU A 54 -0.190 9.807 -3.114 1.00 1.10 H new ATOM 814 N ASN A 55 -2.086 8.970 -1.191 1.00 0.50 N ATOM 815 CA ASN A 55 -1.882 7.537 -1.390 1.00 0.58 C ATOM 816 C ASN A 55 -2.482 7.057 -2.708 1.00 0.57 C ATOM 817 O ASN A 55 -3.427 7.649 -3.229 1.00 0.70 O ATOM 818 CB ASN A 55 -2.495 6.761 -0.222 1.00 0.82 C ATOM 819 CG ASN A 55 -2.241 5.268 -0.306 1.00 1.80 C ATOM 820 OD1 ASN A 55 -1.478 4.746 0.649 1.00 2.63 O flip ATOM 821 ND2 ASN A 55 -2.725 4.590 -1.211 1.00 2.49 N flip ATOM 0 H ASN A 55 -3.062 9.265 -1.199 1.00 0.50 H new ATOM 0 HA ASN A 55 -0.808 7.354 -1.431 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -2.087 7.142 0.714 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -3.570 6.941 -0.198 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -3.305 5.031 -1.924 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -2.546 3.587 -1.248 1.00 2.49 H new ATOM 828 N ALA A 56 -1.921 5.973 -3.234 1.00 0.51 N ATOM 829 CA ALA A 56 -2.382 5.389 -4.487 1.00 0.57 C ATOM 830 C ALA A 56 -1.928 3.936 -4.606 1.00 0.54 C ATOM 831 O ALA A 56 -0.734 3.666 -4.728 1.00 0.75 O ATOM 832 CB ALA A 56 -1.860 6.199 -5.663 1.00 0.61 C ATOM 0 H ALA A 56 -1.139 5.478 -2.806 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.472 5.410 -4.497 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -2.210 5.755 -6.595 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -2.225 7.223 -5.590 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -0.770 6.200 -5.649 1.00 0.61 H new ATOM 838 N ALA A 57 -2.879 3.001 -4.572 1.00 0.31 N ATOM 839 CA ALA A 57 -2.545 1.588 -4.678 1.00 0.29 C ATOM 840 C ALA A 57 -2.013 1.257 -6.068 1.00 0.29 C ATOM 841 O ALA A 57 -2.085 2.084 -6.979 1.00 0.39 O ATOM 842 CB ALA A 57 -3.765 0.744 -4.363 1.00 0.33 C ATOM 0 H ALA A 57 -3.875 3.198 -4.473 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.761 1.362 -3.955 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.508 -0.312 -4.444 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -4.104 0.958 -3.349 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.562 0.979 -5.069 1.00 0.33 H new ATOM 848 N VAL A 58 -1.479 0.047 -6.231 1.00 0.26 N ATOM 849 CA VAL A 58 -0.943 -0.374 -7.521 1.00 0.27 C ATOM 850 C VAL A 58 -0.774 -1.889 -7.599 1.00 0.27 C ATOM 851 O VAL A 58 -0.075 -2.490 -6.784 1.00 0.28 O ATOM 852 CB VAL A 58 0.405 0.309 -7.814 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.384 0.084 -6.671 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.987 -0.185 -9.129 1.00 0.98 C ATOM 0 H VAL A 58 -1.407 -0.652 -5.492 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.669 -0.069 -8.275 1.00 0.27 H new ATOM 0 HB VAL A 58 0.229 1.381 -7.904 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.330 0.575 -6.900 1.00 1.20 H new ATOM 0 HG12 VAL A 58 0.972 0.500 -5.752 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.553 -0.985 -6.542 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.939 0.312 -9.315 1.00 0.98 H new ATOM 0 HG22 VAL A 58 1.144 -1.262 -9.076 1.00 0.98 H new ATOM 0 HG23 VAL A 58 0.296 0.041 -9.941 1.00 0.98 H new ATOM 864 N ALA A 59 -1.429 -2.500 -8.587 1.00 0.28 N ATOM 865 CA ALA A 59 -1.357 -3.943 -8.766 1.00 0.29 C ATOM 866 C ALA A 59 -0.038 -4.342 -9.414 1.00 0.31 C ATOM 867 O ALA A 59 0.102 -4.322 -10.637 1.00 0.50 O ATOM 868 CB ALA A 59 -2.527 -4.429 -9.604 1.00 0.31 C ATOM 0 H ALA A 59 -2.012 -2.017 -9.271 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.410 -4.413 -7.784 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.460 -5.510 -9.730 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.462 -4.179 -9.103 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.499 -3.948 -10.582 1.00 0.31 H new ATOM 874 N LEU A 60 0.930 -4.696 -8.575 1.00 0.28 N ATOM 875 CA LEU A 60 2.251 -5.097 -9.040 1.00 0.28 C ATOM 876 C LEU A 60 2.263 -6.556 -9.479 1.00 0.30 C ATOM 877 O LEU A 60 2.263 -7.460 -8.647 1.00 0.33 O ATOM 878 CB LEU A 60 3.281 -4.889 -7.928 1.00 0.29 C ATOM 879 CG LEU A 60 4.719 -5.265 -8.289 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.192 -4.443 -9.480 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.638 -5.055 -7.097 1.00 0.31 C ATOM 0 H LEU A 60 0.821 -4.713 -7.561 1.00 0.28 H new ATOM 0 HA LEU A 60 2.507 -4.477 -9.899 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.261 -3.841 -7.629 1.00 0.29 H new ATOM 0 HB3 LEU A 60 2.977 -5.474 -7.060 1.00 0.29 H new ATOM 0 HG LEU A 60 4.747 -6.320 -8.561 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.217 -4.719 -9.728 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.546 -4.638 -10.336 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.152 -3.383 -9.229 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.657 -5.327 -7.371 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.611 -4.008 -6.796 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.306 -5.679 -6.267 1.00 0.31 H new ATOM 893 N GLU A 61 2.303 -6.785 -10.787 1.00 0.32 N ATOM 894 CA GLU A 61 2.340 -8.143 -11.302 1.00 0.36 C ATOM 895 C GLU A 61 3.741 -8.688 -11.102 1.00 0.34 C ATOM 896 O GLU A 61 4.616 -8.513 -11.947 1.00 0.36 O ATOM 897 CB GLU A 61 1.953 -8.162 -12.781 1.00 0.43 C ATOM 898 CG GLU A 61 1.449 -9.510 -13.276 1.00 0.52 C ATOM 899 CD GLU A 61 2.524 -10.581 -13.320 1.00 1.37 C ATOM 900 OE1 GLU A 61 2.985 -11.011 -12.242 1.00 2.11 O ATOM 901 OE2 GLU A 61 2.907 -10.991 -14.437 1.00 1.88 O ATOM 0 H GLU A 61 2.310 -6.056 -11.500 1.00 0.32 H new ATOM 0 HA GLU A 61 1.624 -8.768 -10.768 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.180 -7.412 -12.953 1.00 0.43 H new ATOM 0 HB3 GLU A 61 2.819 -7.870 -13.375 1.00 0.43 H new ATOM 0 HG2 GLU A 61 0.639 -9.846 -12.628 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.029 -9.387 -14.274 1.00 0.52 H new ATOM 908 N THR A 62 3.948 -9.319 -9.958 1.00 0.34 N ATOM 909 CA THR A 62 5.251 -9.856 -9.606 1.00 0.35 C ATOM 910 C THR A 62 5.190 -11.337 -9.274 1.00 0.39 C ATOM 911 O THR A 62 4.152 -11.857 -8.861 1.00 0.61 O ATOM 912 CB THR A 62 5.800 -9.083 -8.410 1.00 0.40 C ATOM 913 OG1 THR A 62 6.932 -9.731 -7.863 1.00 0.43 O ATOM 914 CG2 THR A 62 4.785 -8.910 -7.301 1.00 0.52 C ATOM 0 H THR A 62 3.226 -9.472 -9.254 1.00 0.34 H new ATOM 0 HA THR A 62 5.907 -9.744 -10.469 1.00 0.35 H new ATOM 0 HB THR A 62 6.066 -8.100 -8.798 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.609 -9.853 -8.561 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.235 -8.353 -6.479 1.00 0.52 H new ATOM 0 HG22 THR A 62 3.922 -8.363 -7.680 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.466 -9.889 -6.944 1.00 0.52 H new ATOM 922 N SER A 63 6.328 -12.001 -9.431 1.00 0.37 N ATOM 923 CA SER A 63 6.439 -13.415 -9.122 1.00 0.48 C ATOM 924 C SER A 63 7.451 -13.596 -8.007 1.00 0.42 C ATOM 925 O SER A 63 7.819 -14.717 -7.651 1.00 0.45 O ATOM 926 CB SER A 63 6.867 -14.211 -10.360 1.00 0.69 C ATOM 927 OG SER A 63 5.922 -14.076 -11.406 1.00 1.22 O ATOM 0 H SER A 63 7.190 -11.577 -9.773 1.00 0.37 H new ATOM 0 HA SER A 63 5.466 -13.790 -8.803 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.842 -13.863 -10.700 1.00 0.69 H new ATOM 0 HB3 SER A 63 6.977 -15.264 -10.099 1.00 0.69 H new ATOM 0 HG SER A 63 6.220 -14.592 -12.184 1.00 1.22 H new ATOM 933 N LEU A 64 7.900 -12.468 -7.459 1.00 0.37 N ATOM 934 CA LEU A 64 8.878 -12.480 -6.381 1.00 0.35 C ATOM 935 C LEU A 64 8.272 -13.114 -5.128 1.00 0.50 C ATOM 936 O LEU A 64 7.056 -13.093 -4.943 1.00 0.82 O ATOM 937 CB LEU A 64 9.351 -11.047 -6.093 1.00 0.49 C ATOM 938 CG LEU A 64 10.698 -10.912 -5.372 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.540 -11.173 -3.887 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.733 -11.860 -5.968 1.00 0.84 C ATOM 0 H LEU A 64 7.600 -11.536 -7.746 1.00 0.37 H new ATOM 0 HA LEU A 64 9.739 -13.076 -6.682 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.413 -10.510 -7.039 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.590 -10.549 -5.493 1.00 0.49 H new ATOM 0 HG LEU A 64 11.050 -9.890 -5.509 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.507 -11.072 -3.395 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.840 -10.452 -3.463 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.158 -12.182 -3.734 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.679 -11.745 -5.439 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.385 -12.888 -5.869 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.876 -11.626 -7.023 1.00 0.84 H new ATOM 952 N ALA A 65 9.126 -13.678 -4.273 1.00 0.58 N ATOM 953 CA ALA A 65 8.667 -14.314 -3.044 1.00 0.89 C ATOM 954 C ALA A 65 7.818 -13.348 -2.229 1.00 0.60 C ATOM 955 O ALA A 65 8.197 -12.201 -2.035 1.00 0.59 O ATOM 956 CB ALA A 65 9.853 -14.799 -2.224 1.00 1.41 C ATOM 0 H ALA A 65 10.136 -13.706 -4.411 1.00 0.58 H new ATOM 0 HA ALA A 65 8.053 -15.175 -3.309 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.494 -15.271 -1.310 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.426 -15.522 -2.805 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.490 -13.952 -1.969 1.00 1.41 H new ATOM 962 N PRO A 66 6.639 -13.790 -1.757 1.00 0.50 N ATOM 963 CA PRO A 66 5.741 -12.934 -0.982 1.00 0.40 C ATOM 964 C PRO A 66 6.398 -12.327 0.249 1.00 0.41 C ATOM 965 O PRO A 66 5.914 -11.333 0.786 1.00 0.62 O ATOM 966 CB PRO A 66 4.594 -13.854 -0.560 1.00 0.47 C ATOM 967 CG PRO A 66 4.980 -15.243 -0.953 1.00 0.75 C ATOM 968 CD PRO A 66 6.089 -15.137 -1.964 1.00 0.64 C ATOM 0 HA PRO A 66 5.421 -12.082 -1.582 1.00 0.40 H new ATOM 0 HB2 PRO A 66 4.424 -13.791 0.515 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.664 -13.560 -1.047 1.00 0.47 H new ATOM 0 HG2 PRO A 66 5.308 -15.810 -0.082 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.126 -15.773 -1.375 1.00 0.75 H new ATOM 0 HD2 PRO A 66 6.846 -15.905 -1.806 1.00 0.64 H new ATOM 0 HD3 PRO A 66 5.715 -15.262 -2.980 1.00 0.64 H new ATOM 976 N GLU A 67 7.495 -12.924 0.699 1.00 0.40 N ATOM 977 CA GLU A 67 8.196 -12.424 1.874 1.00 0.44 C ATOM 978 C GLU A 67 9.244 -11.390 1.489 1.00 0.37 C ATOM 979 O GLU A 67 9.473 -10.424 2.218 1.00 0.40 O ATOM 980 CB GLU A 67 8.858 -13.571 2.631 1.00 0.57 C ATOM 981 CG GLU A 67 9.872 -14.324 1.795 1.00 0.65 C ATOM 982 CD GLU A 67 10.452 -15.524 2.517 1.00 0.80 C ATOM 983 OE1 GLU A 67 9.672 -16.422 2.899 1.00 1.19 O ATOM 984 OE2 GLU A 67 11.687 -15.566 2.703 1.00 1.28 O ATOM 0 H GLU A 67 7.916 -13.749 0.271 1.00 0.40 H new ATOM 0 HA GLU A 67 7.460 -11.947 2.521 1.00 0.44 H new ATOM 0 HB2 GLU A 67 9.350 -13.176 3.520 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.090 -14.265 2.973 1.00 0.57 H new ATOM 0 HG2 GLU A 67 9.400 -14.655 0.870 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.680 -13.648 1.516 1.00 0.65 H new ATOM 991 N GLU A 68 9.878 -11.598 0.344 1.00 0.34 N ATOM 992 CA GLU A 68 10.906 -10.681 -0.131 1.00 0.31 C ATOM 993 C GLU A 68 10.299 -9.547 -0.949 1.00 0.29 C ATOM 994 O GLU A 68 10.900 -8.484 -1.087 1.00 0.30 O ATOM 995 CB GLU A 68 11.962 -11.425 -0.948 1.00 0.37 C ATOM 996 CG GLU A 68 13.090 -10.528 -1.436 1.00 0.34 C ATOM 997 CD GLU A 68 14.126 -11.282 -2.248 1.00 0.53 C ATOM 998 OE1 GLU A 68 14.734 -12.227 -1.703 1.00 1.21 O ATOM 999 OE2 GLU A 68 14.328 -10.925 -3.427 1.00 1.02 O ATOM 0 H GLU A 68 9.700 -12.391 -0.272 1.00 0.34 H new ATOM 0 HA GLU A 68 11.390 -10.245 0.743 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.382 -12.227 -0.341 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.482 -11.894 -1.807 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.673 -9.724 -2.043 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.575 -10.062 -0.579 1.00 0.34 H new ATOM 1006 N LEU A 69 9.112 -9.784 -1.498 1.00 0.32 N ATOM 1007 CA LEU A 69 8.427 -8.786 -2.313 1.00 0.36 C ATOM 1008 C LEU A 69 8.336 -7.467 -1.565 1.00 0.35 C ATOM 1009 O LEU A 69 8.921 -6.474 -1.987 1.00 0.41 O ATOM 1010 CB LEU A 69 7.042 -9.304 -2.723 1.00 0.42 C ATOM 1011 CG LEU A 69 6.178 -8.376 -3.592 1.00 0.54 C ATOM 1012 CD1 LEU A 69 5.760 -7.119 -2.843 1.00 1.08 C ATOM 1013 CD2 LEU A 69 6.905 -8.014 -4.875 1.00 1.51 C ATOM 0 H LEU A 69 8.603 -10.662 -1.393 1.00 0.32 H new ATOM 0 HA LEU A 69 9.000 -8.608 -3.223 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.177 -10.243 -3.261 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.484 -9.534 -1.815 1.00 0.42 H new ATOM 0 HG LEU A 69 5.269 -8.922 -3.844 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.151 -6.492 -3.495 1.00 1.08 H new ATOM 0 HD12 LEU A 69 5.181 -7.396 -1.962 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.648 -6.567 -2.535 1.00 1.08 H new ATOM 0 HD21 LEU A 69 6.277 -7.357 -5.476 1.00 1.51 H new ATOM 0 HD22 LEU A 69 7.837 -7.504 -4.633 1.00 1.51 H new ATOM 0 HD23 LEU A 69 7.124 -8.922 -5.438 1.00 1.51 H new ATOM 1025 N LEU A 70 7.634 -7.455 -0.435 1.00 0.33 N ATOM 1026 CA LEU A 70 7.538 -6.232 0.348 1.00 0.39 C ATOM 1027 C LEU A 70 8.927 -5.829 0.775 1.00 0.42 C ATOM 1028 O LEU A 70 9.303 -4.674 0.678 1.00 0.61 O ATOM 1029 CB LEU A 70 6.645 -6.401 1.582 1.00 0.44 C ATOM 1030 CG LEU A 70 6.878 -5.374 2.706 1.00 0.58 C ATOM 1031 CD1 LEU A 70 5.607 -5.154 3.503 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.990 -5.837 3.636 1.00 1.01 C ATOM 0 H LEU A 70 7.136 -8.258 -0.050 1.00 0.33 H new ATOM 0 HA LEU A 70 7.082 -5.461 -0.273 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.603 -6.341 1.268 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.799 -7.401 1.988 1.00 0.44 H new ATOM 0 HG LEU A 70 7.173 -4.433 2.242 1.00 0.58 H new ATOM 0 HD11 LEU A 70 5.794 -4.425 4.292 1.00 1.16 H new ATOM 0 HD12 LEU A 70 4.823 -4.782 2.843 1.00 1.16 H new ATOM 0 HD13 LEU A 70 5.289 -6.097 3.948 1.00 1.16 H new ATOM 0 HD21 LEU A 70 8.138 -5.097 4.423 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.716 -6.792 4.083 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.914 -5.954 3.069 1.00 1.01 H new ATOM 1044 N ASN A 71 9.675 -6.811 1.251 1.00 0.31 N ATOM 1045 CA ASN A 71 11.040 -6.587 1.709 1.00 0.35 C ATOM 1046 C ASN A 71 11.829 -5.727 0.722 1.00 0.38 C ATOM 1047 O ASN A 71 12.608 -4.867 1.135 1.00 0.45 O ATOM 1048 CB ASN A 71 11.758 -7.919 1.928 1.00 0.36 C ATOM 1049 CG ASN A 71 13.162 -7.733 2.472 1.00 1.06 C ATOM 1050 OD1 ASN A 71 14.029 -7.165 1.809 1.00 1.87 O ATOM 1051 ND2 ASN A 71 13.391 -8.206 3.690 1.00 1.53 N ATOM 0 H ASN A 71 9.359 -7.777 1.331 1.00 0.31 H new ATOM 0 HA ASN A 71 10.983 -6.051 2.656 1.00 0.35 H new ATOM 0 HB2 ASN A 71 11.180 -8.531 2.621 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.805 -8.463 0.985 1.00 0.36 H new ATOM 0 HD21 ASN A 71 14.315 -8.105 4.111 1.00 1.53 H new ATOM 0 HD22 ASN A 71 12.644 -8.671 4.206 1.00 1.53 H new ATOM 1058 N HIS A 72 11.639 -5.955 -0.579 1.00 0.35 N ATOM 1059 CA HIS A 72 12.351 -5.184 -1.581 1.00 0.42 C ATOM 1060 C HIS A 72 11.610 -3.891 -1.906 1.00 0.41 C ATOM 1061 O HIS A 72 12.228 -2.831 -1.997 1.00 0.43 O ATOM 1062 CB HIS A 72 12.624 -6.027 -2.829 1.00 0.51 C ATOM 1063 CG HIS A 72 11.425 -6.422 -3.626 1.00 1.07 C ATOM 1064 ND1 HIS A 72 10.523 -5.522 -4.144 1.00 2.09 N ATOM 1065 CD2 HIS A 72 11.010 -7.644 -4.035 1.00 1.39 C ATOM 1066 CE1 HIS A 72 9.604 -6.172 -4.834 1.00 2.99 C ATOM 1067 NE2 HIS A 72 9.879 -7.460 -4.784 1.00 2.56 N ATOM 0 H HIS A 72 11.004 -6.660 -0.953 1.00 0.35 H new ATOM 0 HA HIS A 72 13.320 -4.899 -1.171 1.00 0.42 H new ATOM 0 HB2 HIS A 72 13.300 -5.471 -3.478 1.00 0.51 H new ATOM 0 HB3 HIS A 72 13.148 -6.933 -2.524 1.00 0.51 H new ATOM 0 HD2 HIS A 72 11.483 -8.589 -3.812 1.00 1.39 H new ATOM 0 HE1 HIS A 72 8.769 -5.724 -5.352 1.00 2.99 H new ATOM 0 HE2 HIS A 72 9.337 -8.200 -5.231 1.00 2.56 H new ATOM 1076 N THR A 73 10.285 -3.965 -2.036 1.00 0.45 N ATOM 1077 CA THR A 73 9.496 -2.761 -2.296 1.00 0.49 C ATOM 1078 C THR A 73 9.670 -1.797 -1.135 1.00 0.46 C ATOM 1079 O THR A 73 9.474 -0.590 -1.267 1.00 0.47 O ATOM 1080 CB THR A 73 8.009 -3.084 -2.454 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.524 -3.778 -1.320 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.688 -3.916 -3.672 1.00 0.66 C ATOM 0 H THR A 73 9.744 -4.827 -1.967 1.00 0.45 H new ATOM 0 HA THR A 73 9.849 -2.317 -3.227 1.00 0.49 H new ATOM 0 HB THR A 73 7.523 -2.115 -2.568 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.262 -3.943 -0.697 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.615 -4.102 -3.713 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.998 -3.381 -4.570 1.00 0.66 H new ATOM 0 HG23 THR A 73 8.219 -4.866 -3.614 1.00 0.66 H new ATOM 1090 N GLN A 74 10.048 -2.363 0.006 1.00 0.49 N ATOM 1091 CA GLN A 74 10.262 -1.611 1.222 1.00 0.49 C ATOM 1092 C GLN A 74 11.647 -0.987 1.203 1.00 0.43 C ATOM 1093 O GLN A 74 11.877 0.064 1.803 1.00 0.45 O ATOM 1094 CB GLN A 74 10.062 -2.543 2.426 1.00 0.60 C ATOM 1095 CG GLN A 74 11.189 -2.532 3.433 1.00 0.65 C ATOM 1096 CD GLN A 74 11.192 -1.286 4.297 1.00 0.87 C ATOM 1097 OE1 GLN A 74 10.130 -0.491 4.194 1.00 1.66 O flip ATOM 1098 NE2 GLN A 74 12.127 -1.049 5.062 1.00 1.05 N flip ATOM 0 H GLN A 74 10.214 -3.364 0.106 1.00 0.49 H new ATOM 0 HA GLN A 74 9.542 -0.797 1.301 1.00 0.49 H new ATOM 0 HB2 GLN A 74 9.138 -2.264 2.933 1.00 0.60 H new ATOM 0 HB3 GLN A 74 9.930 -3.562 2.061 1.00 0.60 H new ATOM 0 HG2 GLN A 74 11.108 -3.411 4.072 1.00 0.65 H new ATOM 0 HG3 GLN A 74 12.141 -2.606 2.907 1.00 0.65 H new ATOM 0 HE21 GLN A 74 12.922 -1.686 5.109 1.00 1.05 H new ATOM 0 HE22 GLN A 74 12.107 -0.215 5.649 1.00 1.05 H new ATOM 1107 N ARG A 75 12.559 -1.624 0.476 1.00 0.44 N ATOM 1108 CA ARG A 75 13.909 -1.110 0.343 1.00 0.46 C ATOM 1109 C ARG A 75 13.866 0.220 -0.385 1.00 0.43 C ATOM 1110 O ARG A 75 14.636 1.124 -0.083 1.00 0.52 O ATOM 1111 CB ARG A 75 14.800 -2.101 -0.404 1.00 0.59 C ATOM 1112 CG ARG A 75 16.178 -1.557 -0.740 1.00 1.17 C ATOM 1113 CD ARG A 75 17.035 -2.599 -1.441 1.00 1.93 C ATOM 1114 NE ARG A 75 18.355 -2.077 -1.788 1.00 2.51 N ATOM 1115 CZ ARG A 75 19.291 -2.786 -2.417 1.00 2.97 C ATOM 1116 NH1 ARG A 75 19.055 -4.043 -2.766 1.00 3.08 N ATOM 1117 NH2 ARG A 75 20.464 -2.235 -2.697 1.00 3.82 N ATOM 0 H ARG A 75 12.385 -2.494 -0.027 1.00 0.44 H new ATOM 0 HA ARG A 75 14.334 -0.967 1.336 1.00 0.46 H new ATOM 0 HB2 ARG A 75 14.913 -3.001 0.201 1.00 0.59 H new ATOM 0 HB3 ARG A 75 14.302 -2.398 -1.327 1.00 0.59 H new ATOM 0 HG2 ARG A 75 16.078 -0.679 -1.378 1.00 1.17 H new ATOM 0 HG3 ARG A 75 16.674 -1.232 0.174 1.00 1.17 H new ATOM 0 HD2 ARG A 75 17.148 -3.470 -0.795 1.00 1.93 H new ATOM 0 HD3 ARG A 75 16.529 -2.936 -2.346 1.00 1.93 H new ATOM 0 HE ARG A 75 18.572 -1.113 -1.534 1.00 2.51 H new ATOM 0 HH11 ARG A 75 18.154 -4.471 -2.553 1.00 3.08 H new ATOM 0 HH12 ARG A 75 19.775 -4.582 -3.248 1.00 3.08 H new ATOM 0 HH21 ARG A 75 20.650 -1.268 -2.431 1.00 3.82 H new ATOM 0 HH22 ARG A 75 21.181 -2.778 -3.179 1.00 3.82 H new ATOM 1131 N ILE A 76 12.938 0.337 -1.335 1.00 0.43 N ATOM 1132 CA ILE A 76 12.777 1.571 -2.087 1.00 0.48 C ATOM 1133 C ILE A 76 12.521 2.730 -1.132 1.00 0.49 C ATOM 1134 O ILE A 76 13.004 3.841 -1.343 1.00 0.60 O ATOM 1135 CB ILE A 76 11.613 1.477 -3.092 1.00 0.53 C ATOM 1136 CG1 ILE A 76 11.860 0.340 -4.089 1.00 0.62 C ATOM 1137 CG2 ILE A 76 11.427 2.804 -3.813 1.00 0.64 C ATOM 1138 CD1 ILE A 76 13.165 0.462 -4.851 1.00 1.42 C ATOM 0 H ILE A 76 12.291 -0.407 -1.598 1.00 0.43 H new ATOM 0 HA ILE A 76 13.698 1.740 -2.644 1.00 0.48 H new ATOM 0 HB ILE A 76 10.695 1.256 -2.547 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.852 -0.609 -3.552 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.036 0.310 -4.802 1.00 0.62 H new ATOM 0 HG21 ILE A 76 10.601 2.722 -4.520 1.00 0.64 H new ATOM 0 HG22 ILE A 76 11.206 3.585 -3.086 1.00 0.64 H new ATOM 0 HG23 ILE A 76 12.341 3.057 -4.351 1.00 0.64 H new ATOM 0 HD11 ILE A 76 13.266 -0.380 -5.536 1.00 1.42 H new ATOM 0 HD12 ILE A 76 13.170 1.393 -5.417 1.00 1.42 H new ATOM 0 HD13 ILE A 76 13.998 0.460 -4.148 1.00 1.42 H new ATOM 1150 N GLU A 77 11.773 2.448 -0.069 1.00 0.45 N ATOM 1151 CA GLU A 77 11.468 3.455 0.939 1.00 0.52 C ATOM 1152 C GLU A 77 12.761 3.945 1.568 1.00 0.52 C ATOM 1153 O GLU A 77 13.055 5.141 1.566 1.00 0.71 O ATOM 1154 CB GLU A 77 10.561 2.869 2.017 1.00 0.59 C ATOM 1155 CG GLU A 77 10.097 3.879 3.048 1.00 0.95 C ATOM 1156 CD GLU A 77 9.446 3.226 4.250 1.00 1.15 C ATOM 1157 OE1 GLU A 77 10.093 2.365 4.881 1.00 1.59 O ATOM 1158 OE2 GLU A 77 8.286 3.568 4.557 1.00 1.52 O ATOM 0 H GLU A 77 11.368 1.530 0.115 1.00 0.45 H new ATOM 0 HA GLU A 77 10.952 4.289 0.464 1.00 0.52 H new ATOM 0 HB2 GLU A 77 9.687 2.424 1.540 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.091 2.064 2.525 1.00 0.59 H new ATOM 0 HG2 GLU A 77 10.949 4.473 3.379 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.389 4.567 2.585 1.00 0.95 H new ATOM 1165 N LEU A 78 13.540 3.000 2.088 1.00 0.47 N ATOM 1166 CA LEU A 78 14.818 3.320 2.704 1.00 0.56 C ATOM 1167 C LEU A 78 15.689 4.061 1.700 1.00 0.57 C ATOM 1168 O LEU A 78 16.345 5.050 2.032 1.00 0.66 O ATOM 1169 CB LEU A 78 15.520 2.041 3.175 1.00 0.63 C ATOM 1170 CG LEU A 78 14.696 1.149 4.108 1.00 0.71 C ATOM 1171 CD1 LEU A 78 15.483 -0.093 4.487 1.00 0.83 C ATOM 1172 CD2 LEU A 78 14.281 1.919 5.355 1.00 0.84 C ATOM 0 H LEU A 78 13.306 2.007 2.093 1.00 0.47 H new ATOM 0 HA LEU A 78 14.648 3.955 3.573 1.00 0.56 H new ATOM 0 HB2 LEU A 78 15.804 1.458 2.299 1.00 0.63 H new ATOM 0 HB3 LEU A 78 16.442 2.319 3.685 1.00 0.63 H new ATOM 0 HG LEU A 78 13.794 0.838 3.580 1.00 0.71 H new ATOM 0 HD11 LEU A 78 14.883 -0.716 5.150 1.00 0.83 H new ATOM 0 HD12 LEU A 78 15.731 -0.655 3.587 1.00 0.83 H new ATOM 0 HD13 LEU A 78 16.401 0.199 4.996 1.00 0.83 H new ATOM 0 HD21 LEU A 78 13.696 1.269 6.006 1.00 0.84 H new ATOM 0 HD22 LEU A 78 15.170 2.259 5.885 1.00 0.84 H new ATOM 0 HD23 LEU A 78 13.679 2.781 5.067 1.00 0.84 H new ATOM 1184 N GLN A 79 15.674 3.578 0.459 1.00 0.56 N ATOM 1185 CA GLN A 79 16.443 4.195 -0.615 1.00 0.63 C ATOM 1186 C GLN A 79 15.955 5.613 -0.885 1.00 0.66 C ATOM 1187 O GLN A 79 16.733 6.480 -1.281 1.00 0.84 O ATOM 1188 CB GLN A 79 16.335 3.363 -1.893 1.00 0.67 C ATOM 1189 CG GLN A 79 16.960 1.985 -1.778 1.00 0.93 C ATOM 1190 CD GLN A 79 16.883 1.192 -3.073 1.00 1.22 C ATOM 1191 OE1 GLN A 79 17.377 0.068 -3.151 1.00 1.95 O ATOM 1192 NE2 GLN A 79 16.261 1.769 -4.097 1.00 1.30 N ATOM 0 H GLN A 79 15.136 2.760 0.174 1.00 0.56 H new ATOM 0 HA GLN A 79 17.486 4.237 -0.301 1.00 0.63 H new ATOM 0 HB2 GLN A 79 15.283 3.254 -2.158 1.00 0.67 H new ATOM 0 HB3 GLN A 79 16.815 3.903 -2.709 1.00 0.67 H new ATOM 0 HG2 GLN A 79 18.004 2.088 -1.482 1.00 0.93 H new ATOM 0 HG3 GLN A 79 16.458 1.429 -0.986 1.00 0.93 H new ATOM 0 HE21 GLN A 79 15.864 2.703 -3.992 1.00 1.30 H new ATOM 0 HE22 GLN A 79 16.180 1.278 -4.987 1.00 1.30 H new ATOM 1201 N GLN A 80 14.663 5.849 -0.662 1.00 0.54 N ATOM 1202 CA GLN A 80 14.086 7.169 -0.878 1.00 0.59 C ATOM 1203 C GLN A 80 14.535 8.106 0.231 1.00 0.68 C ATOM 1204 O GLN A 80 14.445 9.327 0.111 1.00 0.78 O ATOM 1205 CB GLN A 80 12.557 7.084 -0.921 1.00 0.54 C ATOM 1206 CG GLN A 80 11.870 8.411 -1.213 1.00 0.99 C ATOM 1207 CD GLN A 80 12.220 8.969 -2.581 1.00 0.98 C ATOM 1208 OE1 GLN A 80 13.379 9.272 -2.866 1.00 1.68 O ATOM 1209 NE2 GLN A 80 11.214 9.102 -3.439 1.00 0.74 N ATOM 0 H GLN A 80 14.001 5.146 -0.334 1.00 0.54 H new ATOM 0 HA GLN A 80 14.431 7.558 -1.836 1.00 0.59 H new ATOM 0 HB2 GLN A 80 12.265 6.360 -1.682 1.00 0.54 H new ATOM 0 HB3 GLN A 80 12.198 6.703 0.035 1.00 0.54 H new ATOM 0 HG2 GLN A 80 10.790 8.278 -1.146 1.00 0.99 H new ATOM 0 HG3 GLN A 80 12.150 9.135 -0.448 1.00 0.99 H new ATOM 0 HE21 GLN A 80 10.269 8.839 -3.161 1.00 0.74 H new ATOM 0 HE22 GLN A 80 11.387 9.467 -4.375 1.00 0.74 H new ATOM 1218 N GLY A 81 15.030 7.512 1.313 1.00 0.74 N ATOM 1219 CA GLY A 81 15.500 8.283 2.434 1.00 0.88 C ATOM 1220 C GLY A 81 14.404 8.589 3.424 1.00 0.89 C ATOM 1221 O GLY A 81 14.277 9.730 3.869 1.00 0.99 O ATOM 0 H GLY A 81 15.111 6.502 1.427 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.298 7.737 2.937 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.931 9.217 2.073 1.00 0.88 H new ATOM 1225 N ARG A 82 13.605 7.578 3.782 1.00 0.95 N ATOM 1226 CA ARG A 82 12.535 7.800 4.739 1.00 1.07 C ATOM 1227 C ARG A 82 13.120 8.406 6.002 1.00 1.09 C ATOM 1228 O ARG A 82 14.324 8.304 6.245 1.00 1.50 O ATOM 1229 CB ARG A 82 11.786 6.502 5.059 1.00 1.34 C ATOM 1230 CG ARG A 82 12.392 5.686 6.187 1.00 1.78 C ATOM 1231 CD ARG A 82 11.536 4.469 6.494 1.00 2.05 C ATOM 1232 NE ARG A 82 12.053 3.698 7.623 1.00 2.68 N ATOM 1233 CZ ARG A 82 12.127 4.163 8.868 1.00 3.14 C ATOM 1234 NH1 ARG A 82 11.706 5.387 9.152 1.00 3.20 N ATOM 1235 NH2 ARG A 82 12.618 3.395 9.830 1.00 3.90 N ATOM 0 H ARG A 82 13.681 6.624 3.430 1.00 0.95 H new ATOM 0 HA ARG A 82 11.811 8.487 4.302 1.00 1.07 H new ATOM 0 HB2 ARG A 82 10.756 6.746 5.317 1.00 1.34 H new ATOM 0 HB3 ARG A 82 11.752 5.886 4.160 1.00 1.34 H new ATOM 0 HG2 ARG A 82 13.398 5.369 5.912 1.00 1.78 H new ATOM 0 HG3 ARG A 82 12.486 6.305 7.080 1.00 1.78 H new ATOM 0 HD2 ARG A 82 10.517 4.790 6.712 1.00 2.05 H new ATOM 0 HD3 ARG A 82 11.487 3.830 5.612 1.00 2.05 H new ATOM 0 HE ARG A 82 12.376 2.747 7.446 1.00 2.68 H new ATOM 0 HH11 ARG A 82 11.323 5.978 8.415 1.00 3.20 H new ATOM 0 HH12 ARG A 82 11.765 5.738 10.108 1.00 3.20 H new ATOM 0 HH21 ARG A 82 12.938 2.451 9.615 1.00 3.90 H new ATOM 0 HH22 ARG A 82 12.676 3.748 10.785 1.00 3.90 H new ATOM 1249 N VAL A 83 12.290 9.070 6.778 1.00 1.01 N ATOM 1250 CA VAL A 83 12.762 9.726 7.983 1.00 1.24 C ATOM 1251 C VAL A 83 12.350 8.969 9.244 1.00 1.17 C ATOM 1252 O VAL A 83 11.321 8.293 9.277 1.00 1.65 O ATOM 1253 CB VAL A 83 12.279 11.179 8.012 1.00 1.94 C ATOM 1254 CG1 VAL A 83 12.989 11.962 9.106 1.00 2.77 C ATOM 1255 CG2 VAL A 83 12.507 11.811 6.642 1.00 2.45 C ATOM 0 H VAL A 83 11.291 9.171 6.599 1.00 1.01 H new ATOM 0 HA VAL A 83 13.852 9.725 7.966 1.00 1.24 H new ATOM 0 HB VAL A 83 11.213 11.202 8.238 1.00 1.94 H new ATOM 0 HG11 VAL A 83 12.630 12.991 9.108 1.00 2.77 H new ATOM 0 HG12 VAL A 83 12.783 11.504 10.073 1.00 2.77 H new ATOM 0 HG13 VAL A 83 14.063 11.953 8.921 1.00 2.77 H new ATOM 0 HG21 VAL A 83 12.165 12.846 6.657 1.00 2.45 H new ATOM 0 HG22 VAL A 83 13.570 11.784 6.401 1.00 2.45 H new ATOM 0 HG23 VAL A 83 11.950 11.256 5.888 1.00 2.45 H new ATOM 1265 N ARG A 84 13.200 9.061 10.264 1.00 1.26 N ATOM 1266 CA ARG A 84 12.996 8.367 11.531 1.00 1.64 C ATOM 1267 C ARG A 84 11.747 8.850 12.271 1.00 1.64 C ATOM 1268 O ARG A 84 10.631 8.676 11.788 1.00 2.28 O ATOM 1269 CB ARG A 84 14.231 8.519 12.428 1.00 2.64 C ATOM 1270 CG ARG A 84 15.452 7.727 11.972 1.00 3.46 C ATOM 1271 CD ARG A 84 16.050 8.269 10.683 1.00 4.08 C ATOM 1272 NE ARG A 84 15.361 7.760 9.502 1.00 4.79 N ATOM 1273 CZ ARG A 84 15.372 6.480 9.138 1.00 5.36 C ATOM 1274 NH1 ARG A 84 16.047 5.586 9.850 1.00 5.36 N ATOM 1275 NH2 ARG A 84 14.712 6.092 8.057 1.00 6.26 N ATOM 0 H ARG A 84 14.052 9.621 10.234 1.00 1.26 H new ATOM 0 HA ARG A 84 12.844 7.314 11.294 1.00 1.64 H new ATOM 0 HB2 ARG A 84 14.498 9.575 12.479 1.00 2.64 H new ATOM 0 HB3 ARG A 84 13.969 8.207 13.439 1.00 2.64 H new ATOM 0 HG2 ARG A 84 16.208 7.748 12.757 1.00 3.46 H new ATOM 0 HG3 ARG A 84 15.171 6.684 11.828 1.00 3.46 H new ATOM 0 HD2 ARG A 84 16.000 9.358 10.690 1.00 4.08 H new ATOM 0 HD3 ARG A 84 17.105 7.999 10.631 1.00 4.08 H new ATOM 0 HE ARG A 84 14.843 8.421 8.924 1.00 4.79 H new ATOM 0 HH11 ARG A 84 16.561 5.879 10.681 1.00 5.36 H new ATOM 0 HH12 ARG A 84 16.052 4.606 9.566 1.00 5.36 H new ATOM 0 HH21 ARG A 84 14.195 6.775 7.503 1.00 6.26 H new ATOM 0 HH22 ARG A 84 14.721 5.111 7.779 1.00 6.26 H new ATOM 1289 N LYS A 85 11.944 9.423 13.466 1.00 1.79 N ATOM 1290 CA LYS A 85 10.832 9.891 14.289 1.00 2.53 C ATOM 1291 C LYS A 85 9.985 8.700 14.723 1.00 2.61 C ATOM 1292 O LYS A 85 10.023 7.646 14.084 1.00 3.08 O ATOM 1293 CB LYS A 85 9.977 10.905 13.527 1.00 3.13 C ATOM 1294 CG LYS A 85 8.859 11.518 14.359 1.00 3.58 C ATOM 1295 CD LYS A 85 9.404 12.303 15.546 1.00 4.39 C ATOM 1296 CE LYS A 85 10.262 13.478 15.101 1.00 5.02 C ATOM 1297 NZ LYS A 85 9.498 14.429 14.246 1.00 5.50 N ATOM 0 H LYS A 85 12.864 9.571 13.880 1.00 1.79 H new ATOM 0 HA LYS A 85 11.233 10.389 15.172 1.00 2.53 H new ATOM 0 HB2 LYS A 85 10.621 11.703 13.157 1.00 3.13 H new ATOM 0 HB3 LYS A 85 9.542 10.416 12.655 1.00 3.13 H new ATOM 0 HG2 LYS A 85 8.258 12.177 13.732 1.00 3.58 H new ATOM 0 HG3 LYS A 85 8.198 10.729 14.717 1.00 3.58 H new ATOM 0 HD2 LYS A 85 8.575 12.668 16.152 1.00 4.39 H new ATOM 0 HD3 LYS A 85 9.995 11.641 16.179 1.00 4.39 H new ATOM 0 HE2 LYS A 85 10.643 14.003 15.977 1.00 5.02 H new ATOM 0 HE3 LYS A 85 11.127 13.108 14.550 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 10.137 15.170 13.894 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 9.085 13.917 13.441 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 8.738 14.865 14.806 1.00 5.50 H new ATOM 1311 N ALA A 86 9.231 8.846 15.808 1.00 2.48 N ATOM 1312 CA ALA A 86 8.411 7.740 16.281 1.00 2.58 C ATOM 1313 C ALA A 86 7.453 7.286 15.188 1.00 2.00 C ATOM 1314 O ALA A 86 6.510 7.997 14.835 1.00 1.95 O ATOM 1315 CB ALA A 86 7.640 8.150 17.528 1.00 3.19 C ATOM 0 H ALA A 86 9.171 9.699 16.364 1.00 2.48 H new ATOM 0 HA ALA A 86 9.064 6.906 16.536 1.00 2.58 H new ATOM 0 HB1 ALA A 86 7.031 7.313 17.871 1.00 3.19 H new ATOM 0 HB2 ALA A 86 8.341 8.434 18.313 1.00 3.19 H new ATOM 0 HB3 ALA A 86 6.995 8.997 17.295 1.00 3.19 H new ATOM 1321 N GLU A 87 7.705 6.095 14.659 1.00 2.01 N ATOM 1322 CA GLU A 87 6.874 5.527 13.605 1.00 1.67 C ATOM 1323 C GLU A 87 6.387 4.134 13.983 1.00 1.90 C ATOM 1324 O GLU A 87 7.021 3.136 13.637 1.00 2.39 O ATOM 1325 CB GLU A 87 7.652 5.480 12.287 1.00 2.04 C ATOM 1326 CG GLU A 87 6.875 4.861 11.137 1.00 2.47 C ATOM 1327 CD GLU A 87 7.680 4.805 9.852 1.00 3.23 C ATOM 1328 OE1 GLU A 87 8.843 5.256 9.860 1.00 3.66 O ATOM 1329 OE2 GLU A 87 7.143 4.311 8.836 1.00 3.80 O ATOM 0 H GLU A 87 8.483 5.501 14.945 1.00 2.01 H new ATOM 0 HA GLU A 87 6.001 6.167 13.478 1.00 1.67 H new ATOM 0 HB2 GLU A 87 7.944 6.494 12.012 1.00 2.04 H new ATOM 0 HB3 GLU A 87 8.571 4.914 12.439 1.00 2.04 H new ATOM 0 HG2 GLU A 87 6.567 3.852 11.413 1.00 2.47 H new ATOM 0 HG3 GLU A 87 5.965 5.437 10.967 1.00 2.47 H new ATOM 1336 N ARG A 88 5.262 4.058 14.680 1.00 1.97 N ATOM 1337 CA ARG A 88 4.720 2.764 15.075 1.00 2.47 C ATOM 1338 C ARG A 88 3.598 2.349 14.135 1.00 2.28 C ATOM 1339 O ARG A 88 3.679 1.317 13.469 1.00 2.54 O ATOM 1340 CB ARG A 88 4.197 2.828 16.512 1.00 2.97 C ATOM 1341 CG ARG A 88 5.253 3.234 17.526 1.00 3.30 C ATOM 1342 CD ARG A 88 4.665 3.359 18.923 1.00 3.95 C ATOM 1343 NE ARG A 88 4.067 2.109 19.385 1.00 4.47 N ATOM 1344 CZ ARG A 88 4.750 0.981 19.568 1.00 5.01 C ATOM 1345 NH1 ARG A 88 6.056 0.946 19.340 1.00 5.17 N ATOM 1346 NH2 ARG A 88 4.126 -0.111 19.987 1.00 5.74 N ATOM 0 H ARG A 88 4.713 4.864 14.980 1.00 1.97 H new ATOM 0 HA ARG A 88 5.518 2.023 15.019 1.00 2.47 H new ATOM 0 HB2 ARG A 88 3.370 3.537 16.558 1.00 2.97 H new ATOM 0 HB3 ARG A 88 3.796 1.853 16.788 1.00 2.97 H new ATOM 0 HG2 ARG A 88 6.055 2.496 17.532 1.00 3.30 H new ATOM 0 HG3 ARG A 88 5.696 4.185 17.230 1.00 3.30 H new ATOM 0 HD2 ARG A 88 5.447 3.664 19.618 1.00 3.95 H new ATOM 0 HD3 ARG A 88 3.910 4.145 18.928 1.00 3.95 H new ATOM 0 HE ARG A 88 3.066 2.100 19.579 1.00 4.47 H new ATOM 0 HH11 ARG A 88 6.541 1.785 19.023 1.00 5.17 H new ATOM 0 HH12 ARG A 88 6.575 0.080 19.482 1.00 5.17 H new ATOM 0 HH21 ARG A 88 3.123 -0.087 20.169 1.00 5.74 H new ATOM 0 HH22 ARG A 88 4.649 -0.975 20.127 1.00 5.74 H new ATOM 1360 N TRP A 89 2.558 3.174 14.071 1.00 1.98 N ATOM 1361 CA TRP A 89 1.426 2.905 13.194 1.00 1.91 C ATOM 1362 C TRP A 89 1.165 4.074 12.249 1.00 1.60 C ATOM 1363 O TRP A 89 0.016 4.372 11.927 1.00 1.71 O ATOM 1364 CB TRP A 89 0.176 2.567 14.017 1.00 2.11 C ATOM 1365 CG TRP A 89 -0.143 3.552 15.104 1.00 2.00 C ATOM 1366 CD1 TRP A 89 0.614 3.835 16.205 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -1.326 4.353 15.215 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -0.016 4.776 16.984 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -1.209 5.109 16.399 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -2.468 4.512 14.425 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -2.193 6.004 16.811 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -3.444 5.400 14.835 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -3.300 6.137 16.019 1.00 3.70 C ATOM 0 H TRP A 89 2.476 4.033 14.615 1.00 1.98 H new ATOM 0 HA TRP A 89 1.673 2.040 12.579 1.00 1.91 H new ATOM 0 HB2 TRP A 89 -0.679 2.500 13.344 1.00 2.11 H new ATOM 0 HB3 TRP A 89 0.307 1.582 14.465 1.00 2.11 H new ATOM 0 HD1 TRP A 89 1.569 3.385 16.431 1.00 2.28 H new ATOM 0 HE1 TRP A 89 0.346 5.163 17.856 1.00 2.69 H new ATOM 0 HE3 TRP A 89 -2.586 3.951 13.510 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -2.086 6.573 17.723 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -4.332 5.528 14.234 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -4.080 6.824 16.312 1.00 3.70 H new ATOM 1384 N GLY A 90 2.234 4.739 11.809 1.00 1.35 N ATOM 1385 CA GLY A 90 2.079 5.874 10.913 1.00 1.15 C ATOM 1386 C GLY A 90 2.969 5.800 9.682 1.00 1.08 C ATOM 1387 O GLY A 90 3.758 4.866 9.536 1.00 1.29 O ATOM 0 H GLY A 90 3.198 4.513 12.055 1.00 1.35 H new ATOM 0 HA2 GLY A 90 1.038 5.937 10.596 1.00 1.15 H new ATOM 0 HA3 GLY A 90 2.302 6.791 11.459 1.00 1.15 H new ATOM 1391 N PRO A 91 2.852 6.785 8.768 1.00 0.96 N ATOM 1392 CA PRO A 91 3.636 6.845 7.528 1.00 1.07 C ATOM 1393 C PRO A 91 5.057 7.357 7.748 1.00 1.17 C ATOM 1394 O PRO A 91 6.027 6.612 7.596 1.00 1.60 O ATOM 1395 CB PRO A 91 2.855 7.851 6.653 1.00 1.09 C ATOM 1396 CG PRO A 91 1.604 8.156 7.411 1.00 1.09 C ATOM 1397 CD PRO A 91 1.939 7.925 8.851 1.00 0.91 C ATOM 0 HA PRO A 91 3.749 5.855 7.086 1.00 1.07 H new ATOM 0 HB2 PRO A 91 3.438 8.755 6.479 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.627 7.426 5.675 1.00 1.09 H new ATOM 0 HG2 PRO A 91 1.285 9.185 7.243 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.785 7.512 7.091 1.00 1.09 H new ATOM 0 HD2 PRO A 91 2.412 8.795 9.305 1.00 0.91 H new ATOM 0 HD3 PRO A 91 1.054 7.697 9.445 1.00 0.91 H new ATOM 1405 N ARG A 92 5.162 8.642 8.087 1.00 0.93 N ATOM 1406 CA ARG A 92 6.450 9.290 8.315 1.00 1.03 C ATOM 1407 C ARG A 92 7.211 9.429 6.997 1.00 1.13 C ATOM 1408 O ARG A 92 8.130 8.658 6.720 1.00 1.95 O ATOM 1409 CB ARG A 92 7.301 8.506 9.328 1.00 1.21 C ATOM 1410 CG ARG A 92 8.347 9.350 10.060 1.00 1.04 C ATOM 1411 CD ARG A 92 9.047 10.331 9.139 1.00 1.71 C ATOM 1412 NE ARG A 92 9.908 11.255 9.871 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.451 12.221 10.664 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.146 12.394 10.823 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.302 13.018 11.297 1.00 4.39 N ATOM 0 H ARG A 92 4.359 9.259 8.210 1.00 0.93 H new ATOM 0 HA ARG A 92 6.256 10.280 8.728 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.639 8.050 10.064 1.00 1.21 H new ATOM 0 HB3 ARG A 92 7.807 7.693 8.807 1.00 1.21 H new ATOM 0 HG2 ARG A 92 7.866 9.897 10.871 1.00 1.04 H new ATOM 0 HG3 ARG A 92 9.087 8.692 10.515 1.00 1.04 H new ATOM 0 HD2 ARG A 92 9.643 9.781 8.411 1.00 1.71 H new ATOM 0 HD3 ARG A 92 8.302 10.897 8.580 1.00 1.71 H new ATOM 0 HE ARG A 92 10.918 11.154 9.769 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.488 11.785 10.336 1.00 3.96 H new ATOM 0 HH12 ARG A 92 7.800 13.136 11.432 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.307 12.890 11.176 1.00 4.39 H new ATOM 0 HH22 ARG A 92 9.952 13.758 11.905 1.00 4.39 H new ATOM 1429 N THR A 93 6.806 10.414 6.192 1.00 0.94 N ATOM 1430 CA THR A 93 7.421 10.685 4.892 1.00 0.91 C ATOM 1431 C THR A 93 6.902 9.703 3.852 1.00 0.83 C ATOM 1432 O THR A 93 6.568 10.092 2.737 1.00 1.08 O ATOM 1433 CB THR A 93 8.951 10.627 4.974 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.428 11.483 5.996 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.631 11.034 3.686 1.00 1.47 C ATOM 0 H THR A 93 6.041 11.047 6.424 1.00 0.94 H new ATOM 0 HA THR A 93 7.146 11.696 4.591 1.00 0.91 H new ATOM 0 HB THR A 93 9.193 9.585 5.184 1.00 1.02 H new ATOM 0 HG1 THR A 93 9.892 12.247 5.593 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.712 10.972 3.810 1.00 1.47 H new ATOM 0 HG22 THR A 93 9.319 10.367 2.883 1.00 1.47 H new ATOM 0 HG23 THR A 93 9.353 12.058 3.436 1.00 1.47 H new ATOM 1443 N LEU A 94 6.821 8.434 4.234 1.00 0.68 N ATOM 1444 CA LEU A 94 6.317 7.393 3.345 1.00 0.64 C ATOM 1445 C LEU A 94 6.258 6.065 4.082 1.00 0.56 C ATOM 1446 O LEU A 94 6.894 5.892 5.122 1.00 0.71 O ATOM 1447 CB LEU A 94 7.171 7.270 2.075 1.00 0.72 C ATOM 1448 CG LEU A 94 8.601 6.760 2.271 1.00 1.00 C ATOM 1449 CD1 LEU A 94 9.260 6.509 0.923 1.00 1.44 C ATOM 1450 CD2 LEU A 94 9.422 7.750 3.079 1.00 1.87 C ATOM 0 H LEU A 94 7.099 8.100 5.157 1.00 0.68 H new ATOM 0 HA LEU A 94 5.311 7.673 3.033 1.00 0.64 H new ATOM 0 HB2 LEU A 94 6.660 6.601 1.382 1.00 0.72 H new ATOM 0 HB3 LEU A 94 7.218 8.249 1.597 1.00 0.72 H new ATOM 0 HG LEU A 94 8.556 5.821 2.823 1.00 1.00 H new ATOM 0 HD11 LEU A 94 10.276 6.147 1.077 1.00 1.44 H new ATOM 0 HD12 LEU A 94 8.688 5.762 0.372 1.00 1.44 H new ATOM 0 HD13 LEU A 94 9.288 7.438 0.353 1.00 1.44 H new ATOM 0 HD21 LEU A 94 10.434 7.366 3.205 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.459 8.705 2.555 1.00 1.87 H new ATOM 0 HD23 LEU A 94 8.963 7.891 4.057 1.00 1.87 H new ATOM 1462 N ASP A 95 5.483 5.136 3.543 1.00 0.52 N ATOM 1463 CA ASP A 95 5.326 3.828 4.156 1.00 0.53 C ATOM 1464 C ASP A 95 4.651 2.861 3.197 1.00 0.46 C ATOM 1465 O ASP A 95 3.424 2.776 3.141 1.00 0.59 O ATOM 1466 CB ASP A 95 4.508 3.940 5.444 1.00 0.73 C ATOM 1467 CG ASP A 95 4.291 2.593 6.109 1.00 1.16 C ATOM 1468 OD1 ASP A 95 5.294 1.936 6.461 1.00 1.72 O ATOM 1469 OD2 ASP A 95 3.119 2.198 6.278 1.00 1.64 O ATOM 0 H ASP A 95 4.953 5.265 2.681 1.00 0.52 H new ATOM 0 HA ASP A 95 6.317 3.444 4.396 1.00 0.53 H new ATOM 0 HB2 ASP A 95 5.018 4.607 6.139 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.542 4.392 5.220 1.00 0.73 H new ATOM 1474 N LEU A 96 5.461 2.125 2.453 1.00 0.38 N ATOM 1475 CA LEU A 96 4.946 1.152 1.503 1.00 0.36 C ATOM 1476 C LEU A 96 4.842 -0.211 2.193 1.00 0.40 C ATOM 1477 O LEU A 96 5.798 -0.683 2.808 1.00 0.53 O ATOM 1478 CB LEU A 96 5.840 1.107 0.240 1.00 0.43 C ATOM 1479 CG LEU A 96 7.179 0.365 0.349 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.947 0.792 1.591 1.00 0.97 C ATOM 1481 CD2 LEU A 96 6.968 -1.143 0.319 1.00 0.89 C ATOM 0 H LEU A 96 6.479 2.183 2.489 1.00 0.38 H new ATOM 0 HA LEU A 96 3.949 1.441 1.170 1.00 0.36 H new ATOM 0 HB2 LEU A 96 5.265 0.648 -0.564 1.00 0.43 H new ATOM 0 HB3 LEU A 96 6.047 2.133 -0.063 1.00 0.43 H new ATOM 0 HG LEU A 96 7.783 0.635 -0.517 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.891 0.249 1.640 1.00 0.97 H new ATOM 0 HD12 LEU A 96 8.146 1.863 1.545 1.00 0.97 H new ATOM 0 HD13 LEU A 96 7.355 0.571 2.479 1.00 0.97 H new ATOM 0 HD21 LEU A 96 7.931 -1.647 0.398 1.00 0.89 H new ATOM 0 HD22 LEU A 96 6.335 -1.438 1.155 1.00 0.89 H new ATOM 0 HD23 LEU A 96 6.487 -1.424 -0.618 1.00 0.89 H new ATOM 1493 N ASP A 97 3.668 -0.826 2.128 1.00 0.38 N ATOM 1494 CA ASP A 97 3.459 -2.113 2.779 1.00 0.44 C ATOM 1495 C ASP A 97 2.491 -2.995 2.001 1.00 0.39 C ATOM 1496 O ASP A 97 1.499 -2.516 1.449 1.00 0.40 O ATOM 1497 CB ASP A 97 2.949 -1.909 4.210 1.00 0.55 C ATOM 1498 CG ASP A 97 1.849 -0.867 4.295 1.00 1.14 C ATOM 1499 OD1 ASP A 97 2.088 0.288 3.882 1.00 1.45 O ATOM 1500 OD2 ASP A 97 0.749 -1.204 4.781 1.00 1.93 O ATOM 0 H ASP A 97 2.853 -0.459 1.636 1.00 0.38 H new ATOM 0 HA ASP A 97 4.422 -2.623 2.807 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.577 -2.857 4.598 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.780 -1.608 4.848 1.00 0.55 H new ATOM 1505 N ILE A 98 2.783 -4.292 1.977 1.00 0.39 N ATOM 1506 CA ILE A 98 1.939 -5.254 1.289 1.00 0.36 C ATOM 1507 C ILE A 98 0.630 -5.465 2.047 1.00 0.35 C ATOM 1508 O ILE A 98 0.626 -5.872 3.208 1.00 0.53 O ATOM 1509 CB ILE A 98 2.673 -6.604 1.083 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.507 -6.560 -0.198 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.692 -7.771 1.040 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.701 -6.254 -1.444 1.00 1.20 C ATOM 0 H ILE A 98 3.602 -4.699 2.429 1.00 0.39 H new ATOM 0 HA ILE A 98 1.707 -4.846 0.305 1.00 0.36 H new ATOM 0 HB ILE A 98 3.336 -6.760 1.934 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.286 -5.806 -0.087 1.00 0.48 H new ATOM 0 HG13 ILE A 98 4.008 -7.520 -0.327 1.00 0.48 H new ATOM 0 HG21 ILE A 98 2.240 -8.702 0.894 1.00 0.44 H new ATOM 0 HG22 ILE A 98 1.141 -7.818 1.979 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.993 -7.629 0.216 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.362 -6.240 -2.311 1.00 1.20 H new ATOM 0 HD12 ILE A 98 1.939 -7.021 -1.582 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.222 -5.281 -1.337 1.00 1.20 H new ATOM 1524 N MET A 99 -0.479 -5.167 1.373 1.00 0.32 N ATOM 1525 CA MET A 99 -1.808 -5.305 1.967 1.00 0.36 C ATOM 1526 C MET A 99 -2.587 -6.420 1.287 1.00 0.33 C ATOM 1527 O MET A 99 -3.595 -6.901 1.800 1.00 0.37 O ATOM 1528 CB MET A 99 -2.584 -3.991 1.856 1.00 0.43 C ATOM 1529 CG MET A 99 -1.843 -2.798 2.432 1.00 0.68 C ATOM 1530 SD MET A 99 -1.267 -3.088 4.116 1.00 1.56 S ATOM 1531 CE MET A 99 -2.815 -3.397 4.961 1.00 2.37 C ATOM 0 H MET A 99 -0.484 -4.827 0.411 1.00 0.32 H new ATOM 0 HA MET A 99 -1.682 -5.555 3.020 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.807 -3.798 0.807 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.539 -4.098 2.370 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.990 -2.563 1.795 1.00 0.68 H new ATOM 0 HG3 MET A 99 -2.499 -1.927 2.421 1.00 0.68 H new ATOM 0 HE1 MET A 99 -2.791 -2.932 5.947 1.00 2.37 H new ATOM 0 HE2 MET A 99 -3.636 -2.976 4.381 1.00 2.37 H new ATOM 0 HE3 MET A 99 -2.962 -4.472 5.070 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.102 -6.823 0.121 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.731 -7.885 -0.652 1.00 0.30 C ATOM 1543 C LEU A 100 -1.751 -8.430 -1.679 1.00 0.31 C ATOM 1544 O LEU A 100 -1.105 -7.670 -2.397 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.010 -7.378 -1.335 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.315 -7.869 -0.706 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.514 -7.280 -1.431 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.377 -9.390 -0.724 1.00 0.43 C ATOM 0 H LEU A 100 -1.268 -6.427 -0.313 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.011 -8.691 0.026 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -4.004 -6.288 -1.320 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -3.991 -7.683 -2.381 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.342 -7.534 0.331 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.432 -7.641 -0.968 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.479 -6.192 -1.367 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.491 -7.583 -2.478 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.312 -9.721 -0.273 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.326 -9.744 -1.754 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.538 -9.795 -0.159 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.628 -9.748 -1.730 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.713 -10.388 -2.663 1.00 0.36 C ATOM 1562 C PHE A 101 -1.218 -11.773 -3.040 1.00 0.38 C ATOM 1563 O PHE A 101 -1.010 -12.740 -2.306 1.00 0.88 O ATOM 1564 CB PHE A 101 0.687 -10.475 -2.051 1.00 0.46 C ATOM 1565 CG PHE A 101 1.750 -10.913 -3.019 1.00 0.70 C ATOM 1566 CD1 PHE A 101 1.745 -10.456 -4.326 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.754 -11.785 -2.623 1.00 1.10 C ATOM 1568 CE1 PHE A 101 2.721 -10.859 -5.218 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.731 -12.190 -3.511 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.718 -11.723 -4.809 1.00 1.75 C ATOM 0 H PHE A 101 -2.149 -10.394 -1.137 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.661 -9.785 -3.570 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.957 -9.499 -1.647 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.664 -11.172 -1.213 1.00 0.46 H new ATOM 0 HD1 PHE A 101 0.970 -9.778 -4.652 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.772 -12.152 -1.607 1.00 1.10 H new ATOM 0 HE1 PHE A 101 2.704 -10.498 -6.236 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.505 -12.872 -3.190 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.485 -12.032 -5.503 1.00 1.75 H new ATOM 1580 N GLY A 102 -1.891 -11.856 -4.185 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.427 -13.124 -4.644 1.00 0.60 C ATOM 1582 C GLY A 102 -3.317 -13.782 -3.608 1.00 0.73 C ATOM 1583 O GLY A 102 -4.447 -13.348 -3.383 1.00 1.49 O ATOM 0 H GLY A 102 -2.074 -11.066 -4.803 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -2.996 -12.965 -5.560 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.605 -13.795 -4.892 1.00 0.60 H new ATOM 1587 N ASN A 103 -2.805 -14.836 -2.981 1.00 0.56 N ATOM 1588 CA ASN A 103 -3.559 -15.563 -1.965 1.00 0.58 C ATOM 1589 C ASN A 103 -2.660 -15.995 -0.810 1.00 0.52 C ATOM 1590 O ASN A 103 -3.149 -16.427 0.232 1.00 0.67 O ATOM 1591 CB ASN A 103 -4.207 -16.802 -2.571 1.00 0.76 C ATOM 1592 CG ASN A 103 -3.174 -17.782 -3.088 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -2.639 -17.620 -4.184 1.00 1.55 O ATOM 1594 ND2 ASN A 103 -2.859 -18.785 -2.276 1.00 0.90 N ATOM 0 H ASN A 103 -1.871 -15.206 -3.158 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.326 -14.889 -1.585 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -4.828 -17.291 -1.821 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -4.866 -16.505 -3.387 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -2.147 -19.461 -2.553 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -3.329 -18.879 -1.376 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.346 -15.896 -1.001 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.405 -16.303 0.038 1.00 0.42 C ATOM 1603 C GLU A 104 -0.667 -15.588 1.348 1.00 0.42 C ATOM 1604 O GLU A 104 -1.255 -14.506 1.382 1.00 0.58 O ATOM 1605 CB GLU A 104 1.038 -16.072 -0.384 1.00 0.51 C ATOM 1606 CG GLU A 104 1.246 -14.860 -1.277 1.00 0.56 C ATOM 1607 CD GLU A 104 1.117 -15.196 -2.750 1.00 1.57 C ATOM 1608 OE1 GLU A 104 1.905 -16.027 -3.243 1.00 2.29 O ATOM 1609 OE2 GLU A 104 0.225 -14.625 -3.411 1.00 2.14 O ATOM 0 H GLU A 104 -0.914 -15.542 -1.854 1.00 0.43 H new ATOM 0 HA GLU A 104 -0.560 -17.372 0.186 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.651 -15.959 0.510 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.397 -16.959 -0.906 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.517 -14.092 -1.018 1.00 0.56 H new ATOM 0 HG3 GLU A 104 2.234 -14.439 -1.089 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.221 -16.216 2.423 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.388 -15.680 3.760 1.00 0.56 C ATOM 1618 C VAL A 105 0.779 -16.103 4.649 1.00 0.61 C ATOM 1619 O VAL A 105 0.705 -17.109 5.359 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.711 -16.174 4.373 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.811 -15.790 5.845 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -2.901 -15.627 3.601 1.00 0.67 C ATOM 0 H VAL A 105 0.267 -17.111 2.392 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.411 -14.592 3.694 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.724 -17.262 4.304 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -2.755 -16.152 6.252 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.983 -16.238 6.395 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.766 -14.705 5.942 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -3.825 -15.989 4.052 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -2.885 -14.538 3.632 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -2.848 -15.962 2.565 1.00 0.67 H new ATOM 1632 N ILE A 106 1.860 -15.333 4.600 1.00 0.58 N ATOM 1633 CA ILE A 106 3.040 -15.625 5.391 1.00 0.64 C ATOM 1634 C ILE A 106 3.581 -14.368 6.063 1.00 0.61 C ATOM 1635 O ILE A 106 3.576 -13.284 5.477 1.00 0.57 O ATOM 1636 CB ILE A 106 4.146 -16.283 4.539 1.00 0.74 C ATOM 1637 CG1 ILE A 106 4.138 -15.740 3.105 1.00 0.76 C ATOM 1638 CG2 ILE A 106 3.984 -17.797 4.535 1.00 1.31 C ATOM 1639 CD1 ILE A 106 4.592 -14.302 2.986 1.00 1.45 C ATOM 0 H ILE A 106 1.939 -14.500 4.017 1.00 0.58 H new ATOM 0 HA ILE A 106 2.736 -16.331 6.164 1.00 0.64 H new ATOM 0 HB ILE A 106 5.108 -16.035 4.987 1.00 0.74 H new ATOM 0 HG12 ILE A 106 4.783 -16.365 2.488 1.00 0.76 H new ATOM 0 HG13 ILE A 106 3.129 -15.826 2.701 1.00 0.76 H new ATOM 0 HG21 ILE A 106 4.772 -18.246 3.930 1.00 1.31 H new ATOM 0 HG22 ILE A 106 4.052 -18.173 5.556 1.00 1.31 H new ATOM 0 HG23 ILE A 106 3.012 -18.058 4.117 1.00 1.31 H new ATOM 0 HD11 ILE A 106 4.557 -13.995 1.941 1.00 1.45 H new ATOM 0 HD12 ILE A 106 3.934 -13.663 3.574 1.00 1.45 H new ATOM 0 HD13 ILE A 106 5.613 -14.211 3.357 1.00 1.45 H new ATOM 1651 N ASN A 107 4.039 -14.518 7.301 1.00 0.84 N ATOM 1652 CA ASN A 107 4.580 -13.398 8.065 1.00 0.90 C ATOM 1653 C ASN A 107 6.019 -13.680 8.473 1.00 0.91 C ATOM 1654 O ASN A 107 6.274 -14.503 9.352 1.00 1.02 O ATOM 1655 CB ASN A 107 3.735 -13.143 9.321 1.00 1.09 C ATOM 1656 CG ASN A 107 2.291 -12.754 9.027 1.00 1.00 C ATOM 1657 OD1 ASN A 107 1.947 -12.594 7.752 1.00 1.28 O flip ATOM 1658 ND2 ASN A 107 1.491 -12.590 9.947 1.00 1.21 N flip ATOM 0 H ASN A 107 4.047 -15.408 7.799 1.00 0.84 H new ATOM 0 HA ASN A 107 4.553 -12.512 7.431 1.00 0.90 H new ATOM 0 HB2 ASN A 107 3.740 -14.041 9.939 1.00 1.09 H new ATOM 0 HB3 ASN A 107 4.202 -12.351 9.906 1.00 1.09 H new ATOM 0 HD21 ASN A 107 1.791 -12.722 10.913 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.528 -12.322 9.744 1.00 1.21 H new ATOM 1665 N THR A 108 6.958 -12.992 7.834 1.00 0.86 N ATOM 1666 CA THR A 108 8.371 -13.179 8.143 1.00 0.89 C ATOM 1667 C THR A 108 8.851 -12.153 9.171 1.00 0.91 C ATOM 1668 O THR A 108 8.463 -12.211 10.338 1.00 1.16 O ATOM 1669 CB THR A 108 9.211 -13.102 6.867 1.00 0.90 C ATOM 1670 OG1 THR A 108 8.974 -11.887 6.178 1.00 1.07 O ATOM 1671 CG2 THR A 108 8.938 -14.238 5.906 1.00 0.92 C ATOM 0 H THR A 108 6.769 -12.305 7.104 1.00 0.86 H new ATOM 0 HA THR A 108 8.495 -14.170 8.579 1.00 0.89 H new ATOM 0 HB THR A 108 10.247 -13.167 7.199 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.523 -11.859 5.367 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.565 -14.125 5.022 1.00 0.92 H new ATOM 0 HG22 THR A 108 9.163 -15.187 6.392 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.889 -14.221 5.611 1.00 0.92 H new ATOM 1679 N GLU A 109 9.693 -11.217 8.740 1.00 0.83 N ATOM 1680 CA GLU A 109 10.215 -10.191 9.635 1.00 0.86 C ATOM 1681 C GLU A 109 9.574 -8.841 9.334 1.00 0.73 C ATOM 1682 O GLU A 109 8.736 -8.355 10.095 1.00 0.87 O ATOM 1683 CB GLU A 109 11.735 -10.090 9.495 1.00 0.95 C ATOM 1684 CG GLU A 109 12.467 -11.386 9.812 1.00 1.22 C ATOM 1685 CD GLU A 109 12.325 -11.807 11.263 1.00 1.93 C ATOM 1686 OE1 GLU A 109 11.688 -11.067 12.042 1.00 2.60 O ATOM 1687 OE2 GLU A 109 12.857 -12.879 11.624 1.00 2.37 O ATOM 0 H GLU A 109 10.027 -11.149 7.779 1.00 0.83 H new ATOM 0 HA GLU A 109 9.971 -10.472 10.659 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.978 -9.786 8.477 1.00 0.95 H new ATOM 0 HB3 GLU A 109 12.101 -9.305 10.158 1.00 0.95 H new ATOM 0 HG2 GLU A 109 12.084 -12.179 9.170 1.00 1.22 H new ATOM 0 HG3 GLU A 109 13.524 -11.267 9.576 1.00 1.22 H new ATOM 1694 N ARG A 110 9.969 -8.249 8.215 1.00 0.63 N ATOM 1695 CA ARG A 110 9.435 -6.958 7.799 1.00 0.64 C ATOM 1696 C ARG A 110 8.245 -7.142 6.868 1.00 0.66 C ATOM 1697 O ARG A 110 7.442 -6.228 6.684 1.00 0.77 O ATOM 1698 CB ARG A 110 10.517 -6.137 7.101 1.00 0.63 C ATOM 1699 CG ARG A 110 11.623 -5.668 8.034 1.00 0.86 C ATOM 1700 CD ARG A 110 11.098 -4.697 9.081 1.00 1.64 C ATOM 1701 NE ARG A 110 12.127 -4.319 10.048 1.00 2.22 N ATOM 1702 CZ ARG A 110 12.695 -5.171 10.896 1.00 2.77 C ATOM 1703 NH1 ARG A 110 12.331 -6.447 10.905 1.00 3.01 N ATOM 1704 NH2 ARG A 110 13.625 -4.746 11.741 1.00 3.68 N ATOM 0 H ARG A 110 10.660 -8.643 7.577 1.00 0.63 H new ATOM 0 HA ARG A 110 9.102 -6.425 8.690 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.956 -6.735 6.302 1.00 0.63 H new ATOM 0 HB3 ARG A 110 10.056 -5.268 6.632 1.00 0.63 H new ATOM 0 HG2 ARG A 110 12.072 -6.529 8.528 1.00 0.86 H new ATOM 0 HG3 ARG A 110 12.410 -5.187 7.453 1.00 0.86 H new ATOM 0 HD2 ARG A 110 10.720 -3.802 8.587 1.00 1.64 H new ATOM 0 HD3 ARG A 110 10.257 -5.151 9.606 1.00 1.64 H new ATOM 0 HE ARG A 110 12.427 -3.344 10.074 1.00 2.22 H new ATOM 0 HH11 ARG A 110 11.613 -6.777 10.260 1.00 3.01 H new ATOM 0 HH12 ARG A 110 12.769 -7.098 11.557 1.00 3.01 H new ATOM 0 HH21 ARG A 110 13.905 -3.765 11.740 1.00 3.68 H new ATOM 0 HH22 ARG A 110 14.060 -5.400 12.391 1.00 3.68 H new ATOM 1718 N LEU A 111 8.144 -8.327 6.276 1.00 0.62 N ATOM 1719 CA LEU A 111 7.057 -8.626 5.358 1.00 0.63 C ATOM 1720 C LEU A 111 5.767 -8.940 6.103 1.00 0.56 C ATOM 1721 O LEU A 111 5.762 -9.674 7.092 1.00 0.66 O ATOM 1722 CB LEU A 111 7.429 -9.797 4.433 1.00 0.73 C ATOM 1723 CG LEU A 111 6.302 -10.326 3.527 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.334 -11.208 4.298 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.552 -9.184 2.856 1.00 1.64 C ATOM 0 H LEU A 111 8.802 -9.094 6.417 1.00 0.62 H new ATOM 0 HA LEU A 111 6.891 -7.736 4.751 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.260 -9.485 3.801 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.789 -10.621 5.049 1.00 0.73 H new ATOM 0 HG LEU A 111 6.772 -10.933 2.753 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.552 -11.563 3.627 1.00 1.15 H new ATOM 0 HD12 LEU A 111 5.871 -12.061 4.713 1.00 1.15 H new ATOM 0 HD13 LEU A 111 4.884 -10.633 5.107 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.763 -9.589 2.223 1.00 1.64 H new ATOM 0 HD22 LEU A 111 5.112 -8.541 3.618 1.00 1.64 H new ATOM 0 HD23 LEU A 111 6.244 -8.603 2.246 1.00 1.64 H new ATOM 1737 N THR A 112 4.675 -8.401 5.586 1.00 0.46 N ATOM 1738 CA THR A 112 3.358 -8.623 6.141 1.00 0.42 C ATOM 1739 C THR A 112 2.350 -8.796 5.015 1.00 0.39 C ATOM 1740 O THR A 112 2.237 -7.940 4.138 1.00 0.43 O ATOM 1741 CB THR A 112 2.937 -7.457 7.035 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.383 -6.224 6.498 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.443 -7.562 8.457 1.00 0.68 C ATOM 0 H THR A 112 4.682 -7.795 4.766 1.00 0.46 H new ATOM 0 HA THR A 112 3.389 -9.528 6.748 1.00 0.42 H new ATOM 0 HB THR A 112 1.848 -7.502 7.063 1.00 0.45 H new ATOM 0 HG1 THR A 112 3.102 -5.491 7.084 1.00 0.65 H new ATOM 0 HG21 THR A 112 3.103 -6.699 9.029 1.00 0.68 H new ATOM 0 HG22 THR A 112 3.058 -8.474 8.914 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.533 -7.589 8.454 1.00 0.68 H new ATOM 1751 N VAL A 113 1.607 -9.892 5.051 1.00 0.36 N ATOM 1752 CA VAL A 113 0.598 -10.148 4.038 1.00 0.38 C ATOM 1753 C VAL A 113 -0.664 -9.400 4.484 1.00 0.32 C ATOM 1754 O VAL A 113 -0.643 -8.846 5.583 1.00 0.30 O ATOM 1755 CB VAL A 113 0.362 -11.677 3.881 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -0.927 -12.130 4.549 1.00 1.52 C ATOM 1757 CG2 VAL A 113 0.395 -12.086 2.413 1.00 1.18 C ATOM 0 H VAL A 113 1.684 -10.614 5.767 1.00 0.36 H new ATOM 0 HA VAL A 113 0.908 -9.794 3.055 1.00 0.38 H new ATOM 0 HB VAL A 113 1.180 -12.183 4.394 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.049 -13.205 4.413 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -0.885 -11.901 5.614 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -1.772 -11.609 4.099 1.00 1.52 H new ATOM 0 HG21 VAL A 113 0.227 -13.160 2.331 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -0.386 -11.554 1.869 1.00 1.18 H new ATOM 0 HG23 VAL A 113 1.367 -11.837 1.988 1.00 1.18 H new ATOM 1767 N PRO A 114 -1.764 -9.336 3.686 1.00 0.35 N ATOM 1768 CA PRO A 114 -2.977 -8.625 4.061 1.00 0.36 C ATOM 1769 C PRO A 114 -3.057 -8.331 5.555 1.00 0.33 C ATOM 1770 O PRO A 114 -3.561 -9.129 6.344 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.041 -9.608 3.589 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.451 -10.224 2.345 1.00 0.46 C ATOM 1773 CD PRO A 114 -1.956 -9.933 2.362 1.00 0.42 C ATOM 0 HA PRO A 114 -3.064 -7.630 3.625 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.249 -10.363 4.347 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -4.983 -9.103 3.375 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.633 -11.298 2.324 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -3.914 -9.805 1.452 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.365 -10.840 2.236 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.666 -9.250 1.563 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.518 -7.167 5.921 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.467 -6.715 7.298 1.00 0.33 C ATOM 1783 C HIS A 115 -3.846 -6.313 7.782 1.00 0.34 C ATOM 1784 O HIS A 115 -4.459 -5.403 7.227 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.507 -5.525 7.393 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.224 -5.054 8.785 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -2.210 -4.727 9.691 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.046 -4.827 9.417 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -1.654 -4.320 10.818 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.343 -4.371 10.678 1.00 0.67 N ATOM 0 H HIS A 115 -2.103 -6.511 5.259 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.112 -7.529 7.931 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.564 -5.798 6.919 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -1.922 -4.695 6.821 1.00 0.39 H new ATOM 0 HD2 HIS A 115 0.941 -4.977 9.006 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -2.183 -4.000 11.704 1.00 0.87 H new ATOM 0 HE2 HIS A 115 0.339 -4.113 11.391 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.325 -6.986 8.825 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.631 -6.676 9.388 1.00 0.42 C ATOM 1801 C TYR A 116 -5.727 -5.186 9.690 1.00 0.43 C ATOM 1802 O TYR A 116 -5.351 -4.730 10.769 1.00 0.49 O ATOM 1803 CB TYR A 116 -5.889 -7.509 10.653 1.00 0.52 C ATOM 1804 CG TYR A 116 -4.640 -7.866 11.446 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -3.627 -6.937 11.673 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -4.481 -9.144 11.970 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.500 -7.273 12.398 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -3.354 -9.485 12.696 1.00 1.31 C ATOM 1809 CZ TYR A 116 -2.368 -8.546 12.906 1.00 1.68 C ATOM 1810 OH TYR A 116 -1.245 -8.882 13.627 1.00 2.22 O ATOM 0 H TYR A 116 -3.830 -7.745 9.293 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.398 -6.933 8.657 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.569 -6.958 11.302 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.397 -8.430 10.367 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -3.724 -5.937 11.276 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -5.251 -9.884 11.807 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -1.725 -6.540 12.566 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -3.248 -10.482 13.096 1.00 1.31 H new ATOM 0 HH TYR A 116 -1.309 -9.817 13.915 1.00 2.22 H new ATOM 1820 N ASP A 117 -6.207 -4.429 8.706 1.00 0.42 N ATOM 1821 CA ASP A 117 -6.323 -2.984 8.838 1.00 0.50 C ATOM 1822 C ASP A 117 -6.979 -2.390 7.596 1.00 0.52 C ATOM 1823 O ASP A 117 -7.937 -1.621 7.680 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.926 -2.381 8.996 1.00 0.52 C ATOM 1825 CG ASP A 117 -4.954 -0.988 9.602 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -6.061 -0.493 9.906 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -3.870 -0.394 9.772 1.00 0.87 O ATOM 0 H ASP A 117 -6.522 -4.796 7.808 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.935 -2.757 9.711 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -4.322 -3.034 9.625 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -4.440 -2.339 8.021 1.00 0.52 H new ATOM 1832 N MET A 118 -6.431 -2.757 6.443 1.00 0.38 N ATOM 1833 CA MET A 118 -6.908 -2.282 5.151 1.00 0.39 C ATOM 1834 C MET A 118 -8.363 -2.659 4.900 1.00 0.38 C ATOM 1835 O MET A 118 -9.075 -1.971 4.172 1.00 0.45 O ATOM 1836 CB MET A 118 -6.025 -2.869 4.048 1.00 0.44 C ATOM 1837 CG MET A 118 -5.965 -4.391 4.051 1.00 0.48 C ATOM 1838 SD MET A 118 -7.418 -5.159 3.309 1.00 1.29 S ATOM 1839 CE MET A 118 -6.999 -6.894 3.468 1.00 2.05 C ATOM 0 H MET A 118 -5.639 -3.396 6.379 1.00 0.38 H new ATOM 0 HA MET A 118 -6.851 -1.194 5.150 1.00 0.39 H new ATOM 0 HB2 MET A 118 -6.396 -2.532 3.080 1.00 0.44 H new ATOM 0 HB3 MET A 118 -5.015 -2.475 4.157 1.00 0.44 H new ATOM 0 HG2 MET A 118 -5.075 -4.714 3.511 1.00 0.48 H new ATOM 0 HG3 MET A 118 -5.860 -4.742 5.078 1.00 0.48 H new ATOM 0 HE1 MET A 118 -7.913 -7.486 3.519 1.00 2.05 H new ATOM 0 HE2 MET A 118 -6.412 -7.207 2.605 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.417 -7.046 4.377 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.787 -3.764 5.491 1.00 0.40 N ATOM 1850 CA LYS A 119 -10.150 -4.262 5.317 1.00 0.47 C ATOM 1851 C LYS A 119 -11.101 -3.659 6.338 1.00 0.50 C ATOM 1852 O LYS A 119 -12.245 -4.098 6.474 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.152 -5.785 5.408 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.288 -6.318 6.536 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.213 -7.838 6.521 1.00 0.80 C ATOM 1856 CE LYS A 119 -10.573 -8.472 6.767 1.00 1.02 C ATOM 1857 NZ LYS A 119 -11.134 -8.089 8.093 1.00 1.93 N ATOM 0 H LYS A 119 -8.206 -4.340 6.100 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.504 -3.960 4.331 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.176 -6.133 5.548 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -9.801 -6.199 4.463 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.283 -5.904 6.451 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -9.691 -5.983 7.492 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -8.824 -8.173 5.560 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -8.511 -8.175 7.284 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -11.263 -8.168 5.980 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -10.483 -9.557 6.711 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -11.932 -8.714 8.326 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -10.398 -8.182 8.821 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -11.465 -7.104 8.059 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.627 -2.645 7.041 1.00 0.49 N ATOM 1872 CA ASN A 120 -11.432 -1.960 8.040 1.00 0.52 C ATOM 1873 C ASN A 120 -11.505 -0.478 7.703 1.00 0.56 C ATOM 1874 O ASN A 120 -11.959 0.336 8.507 1.00 0.74 O ATOM 1875 CB ASN A 120 -10.825 -2.156 9.430 1.00 0.53 C ATOM 1876 CG ASN A 120 -10.673 -3.619 9.793 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -9.460 -4.005 10.161 1.00 2.11 O flip ATOM 1878 ND2 ASN A 120 -11.634 -4.388 9.753 1.00 1.30 N flip ATOM 0 H ASN A 120 -9.682 -2.275 6.938 1.00 0.49 H new ATOM 0 HA ASN A 120 -12.439 -2.378 8.039 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -9.849 -1.672 9.469 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -11.455 -1.664 10.171 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -12.550 -4.045 9.463 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -11.514 -5.368 10.010 1.00 1.30 H new ATOM 1885 N ARG A 121 -11.035 -0.141 6.503 1.00 0.49 N ATOM 1886 CA ARG A 121 -11.014 1.238 6.032 1.00 0.58 C ATOM 1887 C ARG A 121 -11.190 1.287 4.514 1.00 0.63 C ATOM 1888 O ARG A 121 -10.760 0.376 3.806 1.00 1.07 O ATOM 1889 CB ARG A 121 -9.674 1.886 6.400 1.00 0.64 C ATOM 1890 CG ARG A 121 -9.245 1.656 7.843 1.00 0.91 C ATOM 1891 CD ARG A 121 -9.695 2.778 8.774 1.00 1.24 C ATOM 1892 NE ARG A 121 -11.152 2.916 8.833 1.00 1.84 N ATOM 1893 CZ ARG A 121 -11.868 3.631 7.969 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -11.268 4.314 7.003 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -13.190 3.676 8.081 1.00 3.50 N ATOM 0 H ARG A 121 -10.660 -0.814 5.835 1.00 0.49 H new ATOM 0 HA ARG A 121 -11.834 1.779 6.505 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -8.901 1.498 5.737 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -9.740 2.959 6.219 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -9.657 0.710 8.194 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -8.160 1.567 7.886 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -9.312 2.588 9.777 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -9.259 3.719 8.439 1.00 1.24 H new ATOM 0 HE ARG A 121 -11.648 2.434 9.583 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -10.252 4.293 6.919 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -11.823 4.860 6.344 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -13.656 3.163 8.829 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -13.740 4.224 7.419 1.00 3.50 H new ATOM 1909 N GLY A 122 -11.787 2.368 4.013 1.00 0.62 N ATOM 1910 CA GLY A 122 -11.958 2.517 2.576 1.00 0.61 C ATOM 1911 C GLY A 122 -10.813 3.307 1.995 1.00 0.56 C ATOM 1912 O GLY A 122 -10.922 3.890 0.922 1.00 0.70 O ATOM 0 H GLY A 122 -12.153 3.138 4.572 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -12.008 1.535 2.105 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -12.901 3.021 2.365 1.00 0.61 H new ATOM 1916 N PHE A 123 -9.707 3.321 2.728 1.00 0.52 N ATOM 1917 CA PHE A 123 -8.513 4.037 2.311 1.00 0.58 C ATOM 1918 C PHE A 123 -7.559 3.098 1.586 1.00 0.42 C ATOM 1919 O PHE A 123 -6.904 3.483 0.623 1.00 0.43 O ATOM 1920 CB PHE A 123 -7.824 4.655 3.532 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.547 5.378 3.212 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -6.489 6.262 2.146 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -5.407 5.173 3.973 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -5.318 6.929 1.846 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -4.235 5.835 3.676 1.00 2.59 C ATOM 1926 CZ PHE A 123 -4.186 6.716 2.632 1.00 3.31 C ATOM 0 H PHE A 123 -9.614 2.839 3.622 1.00 0.52 H new ATOM 0 HA PHE A 123 -8.801 4.834 1.625 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -8.513 5.350 4.012 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -7.612 3.867 4.254 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -7.369 6.431 1.544 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -5.437 4.488 4.807 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -5.279 7.610 1.009 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -3.351 5.657 4.271 1.00 2.59 H new ATOM 0 HZ PHE A 123 -3.271 7.247 2.416 1.00 3.31 H new ATOM 1936 N MET A 124 -7.487 1.865 2.068 1.00 0.37 N ATOM 1937 CA MET A 124 -6.621 0.858 1.470 1.00 0.38 C ATOM 1938 C MET A 124 -7.352 0.077 0.380 1.00 0.38 C ATOM 1939 O MET A 124 -6.748 -0.359 -0.600 1.00 0.57 O ATOM 1940 CB MET A 124 -6.106 -0.104 2.541 1.00 0.50 C ATOM 1941 CG MET A 124 -5.285 0.564 3.635 1.00 0.90 C ATOM 1942 SD MET A 124 -6.262 1.672 4.671 1.00 1.99 S ATOM 1943 CE MET A 124 -5.028 2.205 5.854 1.00 2.44 C ATOM 0 H MET A 124 -8.020 1.537 2.874 1.00 0.37 H new ATOM 0 HA MET A 124 -5.776 1.374 1.014 1.00 0.38 H new ATOM 0 HB2 MET A 124 -6.956 -0.611 2.998 1.00 0.50 H new ATOM 0 HB3 MET A 124 -5.497 -0.871 2.062 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.831 -0.204 4.261 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.470 1.126 3.179 1.00 0.90 H new ATOM 0 HE1 MET A 124 -5.480 2.897 6.565 1.00 2.44 H new ATOM 0 HE2 MET A 124 -4.639 1.339 6.389 1.00 2.44 H new ATOM 0 HE3 MET A 124 -4.213 2.704 5.330 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.654 -0.123 0.581 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.480 -0.884 -0.353 1.00 0.41 C ATOM 1955 C LEU A 125 -9.959 -0.048 -1.544 1.00 0.34 C ATOM 1956 O LEU A 125 -9.869 -0.496 -2.684 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.688 -1.453 0.383 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.366 -2.262 1.638 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -11.644 -2.656 2.355 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -9.549 -3.495 1.292 1.00 0.76 C ATOM 0 H LEU A 125 -9.162 0.235 1.390 1.00 0.37 H new ATOM 0 HA LEU A 125 -8.857 -1.685 -0.751 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -11.345 -0.629 0.661 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.246 -2.088 -0.305 1.00 0.53 H new ATOM 0 HG LEU A 125 -9.771 -1.637 2.304 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -11.398 -3.232 3.247 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -12.192 -1.758 2.642 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.262 -3.261 1.691 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -9.332 -4.055 2.202 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -10.114 -4.125 0.604 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -8.614 -3.192 0.821 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.486 1.148 -1.279 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.992 2.016 -2.345 1.00 0.32 C ATOM 1974 C TRP A 126 -9.960 2.159 -3.477 1.00 0.29 C ATOM 1975 O TRP A 126 -10.242 1.796 -4.618 1.00 0.31 O ATOM 1976 CB TRP A 126 -11.394 3.372 -1.757 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.731 4.448 -2.748 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -11.575 5.783 -2.538 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -12.284 4.312 -4.072 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.987 6.491 -3.638 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -12.424 5.614 -4.594 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -12.672 3.228 -4.867 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -12.933 5.857 -5.868 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.175 3.472 -6.131 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.300 4.777 -6.622 1.00 1.93 C ATOM 0 H TRP A 126 -10.574 1.537 -0.340 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.879 1.562 -2.787 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -12.256 3.222 -1.107 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -10.578 3.728 -1.128 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -11.182 6.223 -1.633 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.970 7.507 -3.729 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -12.580 2.217 -4.499 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -13.034 6.863 -6.247 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -13.477 2.641 -6.751 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -13.694 4.934 -7.615 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.742 2.665 -3.197 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.703 2.810 -4.231 1.00 0.29 C ATOM 1998 C PRO A 127 -7.340 1.472 -4.878 1.00 0.28 C ATOM 1999 O PRO A 127 -7.287 1.356 -6.102 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.503 3.372 -3.463 1.00 0.30 C ATOM 2001 CG PRO A 127 -7.088 3.988 -2.242 1.00 0.31 C ATOM 2002 CD PRO A 127 -8.268 3.128 -1.881 1.00 0.29 C ATOM 0 HA PRO A 127 -8.034 3.447 -5.051 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.793 2.585 -3.208 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.963 4.109 -4.058 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -6.361 4.017 -1.430 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -7.396 5.017 -2.431 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.982 2.296 -1.237 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -9.034 3.693 -1.350 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.095 0.463 -4.041 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.742 -0.880 -4.511 1.00 0.26 C ATOM 2012 C LEU A 128 -7.829 -1.423 -5.429 1.00 0.27 C ATOM 2013 O LEU A 128 -7.565 -2.191 -6.353 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.600 -1.817 -3.311 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.456 -2.815 -3.364 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.142 -2.137 -3.009 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -5.736 -3.972 -2.417 1.00 0.44 C ATOM 0 H LEU A 128 -7.135 0.551 -3.026 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.802 -0.822 -5.059 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.481 -1.208 -2.415 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.532 -2.371 -3.198 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.373 -3.205 -4.379 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.333 -2.866 -3.052 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -3.944 -1.333 -3.718 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.206 -1.725 -2.002 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -4.912 -4.684 -2.459 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -5.836 -3.593 -1.400 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.660 -4.468 -2.712 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.054 -1.010 -5.141 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.237 -1.427 -5.896 1.00 0.30 C ATOM 2031 C PHE A 129 -10.075 -1.107 -7.384 1.00 0.30 C ATOM 2032 O PHE A 129 -10.856 -1.553 -8.217 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.474 -0.707 -5.341 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.760 -1.043 -6.042 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.342 -2.291 -5.884 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.388 -0.115 -6.856 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.526 -2.607 -6.525 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.570 -0.425 -7.498 1.00 0.56 C ATOM 2039 CZ PHE A 129 -15.138 -1.657 -7.343 1.00 0.58 C ATOM 0 H PHE A 129 -9.262 -0.372 -4.373 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.358 -2.505 -5.790 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.577 -0.952 -4.284 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.311 0.369 -5.405 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.865 -3.026 -5.252 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.948 0.862 -6.990 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -14.973 -3.581 -6.393 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -15.048 0.311 -8.127 1.00 0.56 H new ATOM 0 HZ PHE A 129 -16.060 -1.896 -7.853 1.00 0.58 H new ATOM 2049 N GLU A 130 -9.070 -0.303 -7.705 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.821 0.099 -9.082 1.00 0.31 C ATOM 2051 C GLU A 130 -7.634 -0.644 -9.684 1.00 0.29 C ATOM 2052 O GLU A 130 -7.612 -0.918 -10.883 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.574 1.608 -9.155 1.00 0.36 C ATOM 2054 CG GLU A 130 -9.759 2.443 -8.698 1.00 0.93 C ATOM 2055 CD GLU A 130 -10.994 2.223 -9.548 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -10.926 2.470 -10.770 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -12.030 1.800 -8.991 1.00 2.43 O ATOM 0 H GLU A 130 -8.413 0.084 -7.028 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.708 -0.157 -9.662 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -7.708 1.856 -8.541 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -8.325 1.877 -10.181 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -9.990 2.201 -7.660 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.487 3.498 -8.727 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.635 -0.954 -8.858 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.451 -1.644 -9.351 1.00 0.27 C ATOM 2066 C ILE A 131 -5.763 -3.096 -9.674 1.00 0.27 C ATOM 2067 O ILE A 131 -5.176 -3.678 -10.586 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.301 -1.571 -8.328 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.540 -2.508 -7.130 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.153 -0.135 -7.853 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.396 -2.529 -6.145 1.00 0.59 C ATOM 0 H ILE A 131 -6.624 -0.741 -7.861 1.00 0.26 H new ATOM 0 HA ILE A 131 -5.136 -1.141 -10.265 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.383 -1.901 -8.815 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.449 -2.199 -6.613 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.711 -3.520 -7.498 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.341 -0.073 -7.128 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -3.930 0.508 -8.704 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.082 0.191 -7.386 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.633 -3.210 -5.327 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.489 -2.867 -6.647 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.239 -1.526 -5.748 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.724 -3.652 -8.945 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.170 -5.028 -9.160 1.00 0.25 C ATOM 2085 C ALA A 132 -8.090 -5.496 -8.038 1.00 0.23 C ATOM 2086 O ALA A 132 -7.655 -6.119 -7.075 1.00 0.28 O ATOM 2087 CB ALA A 132 -5.987 -5.978 -9.301 1.00 0.30 C ATOM 0 H ALA A 132 -7.214 -3.168 -8.193 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.734 -5.040 -10.093 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.352 -6.993 -9.460 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.376 -5.675 -10.151 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.385 -5.947 -8.393 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.386 -5.197 -8.138 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.363 -5.576 -7.130 1.00 0.31 C ATOM 2095 C PRO A 133 -11.035 -6.910 -7.437 1.00 0.35 C ATOM 2096 O PRO A 133 -12.072 -7.243 -6.862 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.340 -4.428 -7.241 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.425 -4.201 -8.712 1.00 0.37 C ATOM 2099 CD PRO A 133 -10.029 -4.448 -9.239 1.00 0.29 C ATOM 0 HA PRO A 133 -9.937 -5.725 -6.138 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.311 -4.682 -6.815 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -10.983 -3.542 -6.716 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -12.144 -4.878 -9.173 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.755 -3.186 -8.934 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -10.043 -5.024 -10.165 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.507 -3.515 -9.452 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.419 -7.677 -8.329 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.935 -8.990 -8.698 1.00 0.37 C ATOM 2109 C GLU A 134 -10.209 -10.030 -7.875 1.00 0.37 C ATOM 2110 O GLU A 134 -10.263 -11.231 -8.142 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.732 -9.256 -10.192 1.00 0.44 C ATOM 2112 CG GLU A 134 -9.272 -9.252 -10.616 1.00 0.46 C ATOM 2113 CD GLU A 134 -9.095 -9.522 -12.096 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.518 -10.604 -12.558 1.00 1.14 O ATOM 2115 OE2 GLU A 134 -8.532 -8.654 -12.795 1.00 0.87 O ATOM 0 H GLU A 134 -9.560 -7.412 -8.811 1.00 0.32 H new ATOM 0 HA GLU A 134 -12.006 -9.033 -8.500 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -11.173 -10.220 -10.444 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -11.270 -8.500 -10.764 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.829 -8.287 -10.371 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.730 -10.006 -10.045 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.513 -9.520 -6.874 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.725 -10.324 -5.970 1.00 0.35 C ATOM 2124 C LEU A 135 -9.607 -10.993 -4.930 1.00 0.34 C ATOM 2125 O LEU A 135 -10.559 -10.396 -4.436 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.711 -9.411 -5.289 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.480 -10.087 -4.694 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -6.830 -10.850 -3.426 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -5.824 -11.011 -5.710 1.00 1.41 C ATOM 0 H LEU A 135 -9.482 -8.522 -6.668 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.217 -11.112 -6.526 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.376 -8.671 -6.016 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.221 -8.868 -4.493 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.768 -9.305 -4.431 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -5.932 -11.321 -3.025 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -7.239 -10.160 -2.687 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -7.570 -11.616 -3.655 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -4.949 -11.481 -5.262 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -6.534 -11.780 -6.014 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -5.519 -10.434 -6.583 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.273 -12.229 -4.588 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.023 -12.975 -3.590 1.00 0.38 C ATOM 2143 C VAL A 136 -9.082 -13.602 -2.569 1.00 0.42 C ATOM 2144 O VAL A 136 -7.989 -14.050 -2.913 1.00 0.53 O ATOM 2145 CB VAL A 136 -10.904 -14.065 -4.233 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.121 -14.838 -5.284 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.456 -15.016 -3.178 1.00 0.44 C ATOM 0 H VAL A 136 -8.485 -12.737 -4.989 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.680 -12.267 -3.084 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.745 -13.571 -4.719 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.761 -15.602 -5.725 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.783 -14.154 -6.062 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.257 -15.313 -4.818 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.074 -15.774 -3.659 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -10.630 -15.499 -2.655 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.060 -14.456 -2.464 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.509 -13.621 -1.312 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.700 -14.187 -0.244 1.00 0.53 C ATOM 2159 C PHE A 137 -8.868 -15.702 -0.195 1.00 0.57 C ATOM 2160 O PHE A 137 -9.885 -16.226 -0.650 1.00 0.60 O ATOM 2161 CB PHE A 137 -9.095 -13.571 1.105 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.879 -12.083 1.184 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -9.518 -11.222 0.304 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -8.033 -11.546 2.143 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -9.319 -9.858 0.379 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.831 -10.179 2.220 1.00 0.68 C ATOM 2167 CZ PHE A 137 -8.474 -9.335 1.338 1.00 0.64 C ATOM 0 H PHE A 137 -10.410 -13.251 -1.009 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.654 -13.957 -0.444 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.146 -13.786 1.297 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.521 -14.054 1.896 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -10.179 -11.624 -0.449 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.527 -12.201 2.837 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -9.824 -9.200 -0.312 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -7.170 -9.773 2.971 1.00 0.68 H new ATOM 0 HZ PHE A 137 -8.317 -8.268 1.397 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.879 -16.431 0.363 1.00 0.60 N ATOM 2178 CA PRO A 138 -7.945 -17.893 0.471 1.00 0.66 C ATOM 2179 C PRO A 138 -9.310 -18.358 0.970 1.00 0.73 C ATOM 2180 O PRO A 138 -9.712 -19.501 0.754 1.00 0.78 O ATOM 2181 CB PRO A 138 -6.859 -18.210 1.496 1.00 0.70 C ATOM 2182 CG PRO A 138 -5.855 -17.125 1.324 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.628 -15.893 0.932 1.00 0.62 C ATOM 0 HA PRO A 138 -7.802 -18.394 -0.486 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.261 -18.222 2.509 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.418 -19.191 1.317 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.300 -16.959 2.247 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.126 -17.387 0.557 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.822 -15.252 1.792 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.082 -15.293 0.204 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.017 -17.445 1.628 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.346 -17.715 2.159 1.00 0.87 C ATOM 2193 C ASP A 139 -12.391 -17.715 1.046 1.00 0.80 C ATOM 2194 O ASP A 139 -12.688 -18.754 0.457 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.701 -16.660 3.206 1.00 0.92 C ATOM 2196 CG ASP A 139 -10.988 -16.880 4.526 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -10.212 -17.855 4.625 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -11.204 -16.082 5.461 1.00 1.91 O ATOM 0 H ASP A 139 -9.684 -16.498 1.807 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.341 -18.703 2.620 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.447 -15.672 2.821 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.778 -16.669 3.374 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.946 -16.537 0.768 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.956 -16.407 -0.270 1.00 0.59 C ATOM 2205 C GLY A 140 -14.411 -14.971 -0.447 1.00 0.61 C ATOM 2206 O GLY A 140 -15.503 -14.714 -0.953 1.00 0.95 O ATOM 0 H GLY A 140 -12.713 -15.666 1.246 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.556 -16.779 -1.213 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.814 -17.031 -0.020 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.567 -14.035 -0.023 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.869 -12.612 -0.123 1.00 0.62 C ATOM 2212 C GLU A 141 -13.079 -11.960 -1.239 1.00 0.53 C ATOM 2213 O GLU A 141 -12.209 -12.576 -1.839 1.00 0.59 O ATOM 2214 CB GLU A 141 -13.548 -11.911 1.190 1.00 0.86 C ATOM 2215 CG GLU A 141 -14.533 -12.214 2.306 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.614 -13.692 2.637 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -13.574 -14.272 3.018 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -15.713 -14.269 2.515 1.00 2.53 O ATOM 0 H GLU A 141 -12.660 -14.240 0.397 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.932 -12.516 -0.343 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -12.548 -12.203 1.512 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -13.526 -10.835 1.020 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -14.242 -11.662 3.200 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -15.522 -11.857 2.018 1.00 1.38 H new ATOM 2225 N MET A 142 -13.386 -10.701 -1.501 1.00 0.48 N ATOM 2226 CA MET A 142 -12.701 -9.945 -2.541 1.00 0.41 C ATOM 2227 C MET A 142 -12.501 -8.495 -2.118 1.00 0.37 C ATOM 2228 O MET A 142 -13.071 -8.050 -1.122 1.00 0.39 O ATOM 2229 CB MET A 142 -13.493 -10.008 -3.846 1.00 0.42 C ATOM 2230 CG MET A 142 -13.649 -11.416 -4.396 1.00 0.49 C ATOM 2231 SD MET A 142 -14.487 -11.450 -5.992 1.00 0.55 S ATOM 2232 CE MET A 142 -14.473 -13.204 -6.346 1.00 1.68 C ATOM 0 H MET A 142 -14.108 -10.177 -1.007 1.00 0.48 H new ATOM 0 HA MET A 142 -11.720 -10.393 -2.698 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.482 -9.579 -3.682 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.997 -9.388 -4.593 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.665 -11.873 -4.497 1.00 0.49 H new ATOM 0 HG3 MET A 142 -14.210 -12.020 -3.683 1.00 0.49 H new ATOM 0 HE1 MET A 142 -14.958 -13.386 -7.305 1.00 1.68 H new ATOM 0 HE2 MET A 142 -13.443 -13.559 -6.387 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.009 -13.738 -5.561 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.697 -7.752 -2.879 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.443 -6.364 -2.578 1.00 0.39 C ATOM 2244 C LEU A 143 -12.730 -5.570 -2.733 1.00 0.41 C ATOM 2245 O LEU A 143 -12.898 -4.498 -2.150 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.364 -5.855 -3.528 1.00 0.44 C ATOM 2247 CG LEU A 143 -9.845 -4.446 -3.272 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -9.260 -4.331 -1.875 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -8.804 -4.097 -4.317 1.00 1.56 C ATOM 0 H LEU A 143 -11.215 -8.099 -3.708 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.096 -6.247 -1.551 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.520 -6.543 -3.486 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.757 -5.895 -4.544 1.00 0.44 H new ATOM 0 HG LEU A 143 -10.675 -3.743 -3.343 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -8.896 -3.316 -1.715 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -10.030 -4.560 -1.138 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -8.434 -5.034 -1.767 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -8.431 -3.089 -4.136 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -7.978 -4.806 -4.259 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.254 -4.145 -5.309 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.647 -6.131 -3.516 1.00 0.39 N ATOM 2262 CA ARG A 144 -14.944 -5.514 -3.753 1.00 0.47 C ATOM 2263 C ARG A 144 -15.907 -5.888 -2.628 1.00 0.49 C ATOM 2264 O ARG A 144 -16.568 -5.026 -2.048 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.500 -5.968 -5.110 1.00 0.54 C ATOM 2266 CG ARG A 144 -16.665 -5.130 -5.627 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.930 -5.326 -4.802 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.039 -4.509 -5.291 1.00 1.47 N ATOM 2269 CZ ARG A 144 -19.580 -4.640 -6.502 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -19.136 -5.569 -7.337 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -20.573 -3.844 -6.872 1.00 2.83 N ATOM 0 H ARG A 144 -13.512 -7.019 -4.000 1.00 0.39 H new ATOM 0 HA ARG A 144 -14.830 -4.430 -3.770 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -14.696 -5.942 -5.845 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.823 -7.006 -5.027 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -16.385 -4.077 -5.614 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -16.867 -5.394 -6.665 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -18.218 -6.377 -4.825 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -17.726 -5.074 -3.761 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.421 -3.797 -4.669 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -18.377 -6.188 -7.054 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -19.554 -5.665 -8.263 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -20.922 -3.132 -6.230 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -20.988 -3.943 -7.798 1.00 2.83 H new ATOM 2285 N GLN A 145 -15.970 -7.184 -2.333 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.844 -7.701 -1.282 1.00 0.52 C ATOM 2287 C GLN A 145 -16.627 -6.965 0.034 1.00 0.48 C ATOM 2288 O GLN A 145 -17.585 -6.572 0.698 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.605 -9.207 -1.103 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.360 -9.829 0.065 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.614 -9.732 1.387 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.429 -9.129 1.366 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -17.100 -10.193 2.420 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.422 -7.900 -2.810 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.878 -7.535 -1.584 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.893 -9.720 -2.021 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.538 -9.379 -0.963 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.328 -9.337 0.165 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.557 -10.878 -0.157 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -18.012 -10.649 2.395 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -16.590 -10.119 3.301 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.364 -6.783 0.412 1.00 0.40 N ATOM 2303 CA ILE A 146 -15.042 -6.093 1.654 1.00 0.40 C ATOM 2304 C ILE A 146 -15.556 -4.665 1.607 1.00 0.43 C ATOM 2305 O ILE A 146 -16.152 -4.175 2.565 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.524 -6.076 1.928 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.958 -7.497 1.897 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -13.243 -5.420 3.273 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.455 -7.558 2.088 1.00 0.78 C ATOM 0 H ILE A 146 -14.554 -7.101 -0.120 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.528 -6.640 2.462 1.00 0.40 H new ATOM 0 HB ILE A 146 -13.034 -5.495 1.146 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -13.439 -8.087 2.677 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.213 -7.960 0.944 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -12.169 -5.413 3.457 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.616 -4.396 3.263 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.743 -5.981 4.063 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -11.126 -8.597 2.054 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.964 -6.996 1.294 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -11.193 -7.125 3.054 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.324 -4.007 0.475 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.761 -2.634 0.282 1.00 0.50 C ATOM 2323 C LEU A 147 -17.277 -2.520 0.346 1.00 0.59 C ATOM 2324 O LEU A 147 -17.811 -1.491 0.756 1.00 0.72 O ATOM 2325 CB LEU A 147 -15.246 -2.104 -1.048 1.00 0.55 C ATOM 2326 CG LEU A 147 -13.800 -1.620 -1.024 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -13.337 -1.256 -2.425 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -13.665 -0.428 -0.087 1.00 0.62 C ATOM 0 H LEU A 147 -14.833 -4.408 -0.324 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.348 -2.031 1.091 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -15.339 -2.890 -1.798 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -15.885 -1.281 -1.368 1.00 0.55 H new ATOM 0 HG LEU A 147 -13.166 -2.426 -0.656 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -12.303 -0.913 -2.389 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -13.406 -2.132 -3.070 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -13.969 -0.462 -2.822 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -12.629 -0.089 -0.076 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.308 0.381 -0.433 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -13.961 -0.721 0.920 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.966 -3.588 -0.043 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.422 -3.600 -0.001 1.00 0.73 C ATOM 2342 C HIS A 148 -19.879 -3.335 1.428 1.00 0.79 C ATOM 2343 O HIS A 148 -21.013 -2.924 1.676 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.956 -4.948 -0.498 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.451 -5.009 -0.601 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -22.291 -4.881 0.484 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -22.254 -5.185 -1.677 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.545 -4.976 0.082 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.551 -5.161 -1.225 1.00 1.34 N ATOM 0 H HIS A 148 -17.543 -4.450 -0.388 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.814 -2.821 -0.655 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.525 -5.160 -1.477 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.616 -5.734 0.177 1.00 0.77 H new ATOM 0 HD1 HIS A 148 -21.991 -4.735 1.448 1.00 1.36 H new ATOM 0 HD2 HIS A 148 -21.934 -5.319 -2.700 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -24.418 -4.913 0.715 1.00 1.28 H new ATOM 2358 N THR A 149 -18.963 -3.574 2.363 1.00 0.77 N ATOM 2359 CA THR A 149 -19.222 -3.372 3.779 1.00 0.88 C ATOM 2360 C THR A 149 -18.498 -2.125 4.301 1.00 0.86 C ATOM 2361 O THR A 149 -18.801 -1.629 5.386 1.00 0.94 O ATOM 2362 CB THR A 149 -18.783 -4.617 4.560 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.558 -5.740 4.180 1.00 1.10 O ATOM 2364 CG2 THR A 149 -18.896 -4.469 6.063 1.00 1.18 C ATOM 0 H THR A 149 -18.023 -3.912 2.157 1.00 0.77 H new ATOM 0 HA THR A 149 -20.291 -3.215 3.921 1.00 0.88 H new ATOM 0 HB THR A 149 -17.730 -4.752 4.311 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.264 -6.526 4.686 1.00 1.10 H new ATOM 0 HG21 THR A 149 -18.568 -5.390 6.545 1.00 1.18 H new ATOM 0 HG22 THR A 149 -18.269 -3.642 6.395 1.00 1.18 H new ATOM 0 HG23 THR A 149 -19.933 -4.269 6.332 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.536 -1.622 3.523 1.00 0.86 N ATOM 2373 CA ARG A 150 -16.771 -0.436 3.919 1.00 0.93 C ATOM 2374 C ARG A 150 -17.377 0.837 3.343 1.00 0.95 C ATOM 2375 O ARG A 150 -17.861 1.688 4.090 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.326 -0.542 3.431 1.00 0.99 C ATOM 2377 CG ARG A 150 -14.661 -1.871 3.730 1.00 0.96 C ATOM 2378 CD ARG A 150 -14.442 -2.081 5.223 1.00 1.26 C ATOM 2379 NE ARG A 150 -15.698 -2.260 5.949 1.00 2.01 N ATOM 2380 CZ ARG A 150 -15.771 -2.416 7.269 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -14.668 -2.418 8.002 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -16.951 -2.572 7.853 1.00 3.55 N ATOM 0 H ARG A 150 -17.269 -2.015 2.620 1.00 0.86 H new ATOM 0 HA ARG A 150 -16.800 -0.388 5.008 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.305 -0.373 2.354 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -14.741 0.255 3.890 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.277 -2.680 3.337 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -13.703 -1.920 3.213 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -13.809 -2.955 5.376 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -13.907 -1.225 5.633 1.00 1.26 H new ATOM 0 HE ARG A 150 -16.567 -2.266 5.415 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -13.759 -2.300 7.555 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -14.728 -2.538 9.013 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -17.802 -2.572 7.291 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -17.008 -2.692 8.864 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.308 0.941 2.007 1.00 0.94 N ATOM 2397 CA ALA A 151 -17.807 2.086 1.230 1.00 1.04 C ATOM 2398 C ALA A 151 -16.646 2.829 0.571 1.00 1.11 C ATOM 2399 O ALA A 151 -16.182 3.854 1.076 1.00 1.59 O ATOM 2400 CB ALA A 151 -18.642 3.050 2.066 1.00 1.61 C ATOM 0 H ALA A 151 -16.894 0.214 1.423 1.00 0.94 H new ATOM 0 HA ALA A 151 -18.465 1.681 0.461 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -18.982 3.874 1.439 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -19.505 2.524 2.474 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -18.036 3.442 2.883 1.00 1.61 H new ATOM 2406 N PHE A 152 -16.178 2.286 -0.551 1.00 1.09 N ATOM 2407 CA PHE A 152 -15.061 2.861 -1.311 1.00 1.61 C ATOM 2408 C PHE A 152 -15.441 4.170 -2.003 1.00 1.38 C ATOM 2409 O PHE A 152 -14.968 4.468 -3.098 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.572 1.861 -2.352 1.00 2.51 C ATOM 2411 CG PHE A 152 -15.657 1.392 -3.278 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -16.464 0.332 -2.918 1.00 3.42 C ATOM 2413 CD2 PHE A 152 -15.873 2.013 -4.495 1.00 4.44 C ATOM 2414 CE1 PHE A 152 -17.472 -0.110 -3.756 1.00 4.40 C ATOM 2415 CE2 PHE A 152 -16.876 1.580 -5.341 1.00 5.41 C ATOM 2416 CZ PHE A 152 -17.677 0.516 -4.971 1.00 5.37 C ATOM 0 H PHE A 152 -16.560 1.434 -0.962 1.00 1.09 H new ATOM 0 HA PHE A 152 -14.267 3.082 -0.598 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.775 2.318 -2.939 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -14.140 0.999 -1.843 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -16.306 -0.159 -1.969 1.00 3.42 H new ATOM 0 HD2 PHE A 152 -15.251 2.846 -4.787 1.00 4.44 H new ATOM 0 HE1 PHE A 152 -18.096 -0.941 -3.462 1.00 4.40 H new ATOM 0 HE2 PHE A 152 -17.034 2.072 -6.289 1.00 5.41 H new ATOM 0 HZ PHE A 152 -18.461 0.175 -5.630 1.00 5.37 H new ATOM 2426 N ASP A 153 -16.267 4.954 -1.344 1.00 1.04 N ATOM 2427 CA ASP A 153 -16.688 6.247 -1.867 1.00 1.18 C ATOM 2428 C ASP A 153 -16.045 7.347 -1.042 1.00 1.01 C ATOM 2429 O ASP A 153 -16.247 8.537 -1.280 1.00 1.40 O ATOM 2430 CB ASP A 153 -18.214 6.372 -1.829 1.00 1.46 C ATOM 2431 CG ASP A 153 -18.779 6.206 -0.431 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -17.986 5.980 0.506 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -20.014 6.308 -0.270 1.00 2.52 O ATOM 0 H ASP A 153 -16.667 4.720 -0.435 1.00 1.04 H new ATOM 0 HA ASP A 153 -16.370 6.338 -2.906 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -18.505 7.347 -2.221 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -18.653 5.621 -2.486 1.00 1.46 H new ATOM 2438 N LYS A 154 -15.272 6.913 -0.053 1.00 0.68 N ATOM 2439 CA LYS A 154 -14.580 7.807 0.857 1.00 0.59 C ATOM 2440 C LYS A 154 -13.211 8.210 0.320 1.00 0.52 C ATOM 2441 O LYS A 154 -12.915 8.039 -0.862 1.00 0.67 O ATOM 2442 CB LYS A 154 -14.387 7.106 2.194 1.00 0.63 C ATOM 2443 CG LYS A 154 -15.675 6.575 2.799 1.00 0.79 C ATOM 2444 CD LYS A 154 -15.459 6.059 4.217 1.00 0.93 C ATOM 2445 CE LYS A 154 -14.480 4.893 4.251 1.00 0.94 C ATOM 2446 NZ LYS A 154 -14.973 3.728 3.468 1.00 1.77 N ATOM 0 H LYS A 154 -15.109 5.924 0.138 1.00 0.68 H new ATOM 0 HA LYS A 154 -15.186 8.706 0.968 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -13.690 6.278 2.062 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -13.927 7.802 2.895 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -16.425 7.365 2.809 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -16.067 5.772 2.175 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -15.084 6.867 4.845 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -16.414 5.745 4.639 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -13.518 5.216 3.853 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -14.313 4.590 5.285 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -14.337 2.918 3.613 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -15.931 3.477 3.785 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -14.996 3.973 2.458 1.00 1.77 H new ATOM 2460 N LEU A 155 -12.380 8.728 1.226 1.00 0.55 N ATOM 2461 CA LEU A 155 -11.023 9.149 0.899 1.00 0.57 C ATOM 2462 C LEU A 155 -10.979 9.907 -0.425 1.00 0.51 C ATOM 2463 O LEU A 155 -10.454 9.410 -1.421 1.00 0.61 O ATOM 2464 CB LEU A 155 -10.082 7.936 0.849 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.979 7.116 2.150 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -9.589 7.996 3.327 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -11.283 6.397 2.447 1.00 1.95 C ATOM 0 H LEU A 155 -12.631 8.866 2.205 1.00 0.55 H new ATOM 0 HA LEU A 155 -10.687 9.825 1.685 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -10.415 7.274 0.049 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -9.085 8.284 0.581 1.00 0.67 H new ATOM 0 HG LEU A 155 -9.197 6.371 2.003 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -9.525 7.389 4.230 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.622 8.458 3.131 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -10.341 8.773 3.465 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -11.182 5.826 3.370 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -12.084 7.128 2.558 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -11.520 5.720 1.626 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.538 11.112 -0.424 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.567 11.947 -1.617 1.00 0.54 C ATOM 2481 C ASN A 156 -10.154 12.208 -2.136 1.00 0.53 C ATOM 2482 O ASN A 156 -9.210 12.324 -1.354 1.00 0.75 O ATOM 2483 CB ASN A 156 -12.273 13.269 -1.311 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.579 14.052 -0.215 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -11.451 13.579 0.914 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -11.127 15.255 -0.542 1.00 1.34 N ATOM 0 H ASN A 156 -11.979 11.533 0.394 1.00 0.54 H new ATOM 0 HA ASN A 156 -12.120 11.419 -2.394 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.314 13.874 -2.217 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -13.303 13.068 -1.015 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.651 15.828 0.155 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -11.255 15.607 -1.491 1.00 1.34 H new ATOM 2493 N LYS A 157 -10.013 12.286 -3.457 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.711 12.518 -4.077 1.00 0.46 C ATOM 2495 C LYS A 157 -8.208 13.935 -3.823 1.00 0.48 C ATOM 2496 O LYS A 157 -8.961 14.807 -3.387 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.777 12.261 -5.584 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.054 10.811 -5.950 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.082 10.596 -7.460 1.00 1.33 C ATOM 2500 CE LYS A 157 -10.269 11.291 -8.117 1.00 1.77 C ATOM 2501 NZ LYS A 157 -10.151 12.775 -8.074 1.00 2.30 N ATOM 0 H LYS A 157 -10.784 12.192 -4.118 1.00 0.46 H new ATOM 0 HA LYS A 157 -8.010 11.819 -3.620 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.555 12.890 -6.016 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -7.833 12.566 -6.036 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.289 10.173 -5.508 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -10.009 10.506 -5.523 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -8.156 10.971 -7.896 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -9.125 9.528 -7.673 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -10.349 10.965 -9.154 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -11.188 10.987 -7.616 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -10.572 13.182 -8.934 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -10.651 13.139 -7.238 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -9.147 13.042 -8.020 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.922 14.148 -4.106 1.00 0.45 N ATOM 2516 CA TRP A 158 -6.286 15.447 -3.924 1.00 0.54 C ATOM 2517 C TRP A 158 -7.132 16.563 -4.533 1.00 0.75 C ATOM 2518 O TRP A 158 -7.447 16.471 -5.738 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.896 15.437 -4.564 1.00 0.62 C ATOM 2520 CG TRP A 158 -4.109 16.684 -4.314 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -3.995 17.765 -5.141 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -3.304 16.970 -3.167 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -3.182 18.712 -4.569 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -2.743 18.246 -3.358 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -3.005 16.271 -1.993 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -1.901 18.838 -2.420 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -2.169 16.858 -1.063 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -1.626 18.130 -1.280 1.00 1.07 C ATOM 2529 OXT TRP A 158 -7.470 17.515 -3.800 1.00 1.47 O ATOM 0 H TRP A 158 -6.297 13.427 -4.466 1.00 0.45 H new ATOM 0 HA TRP A 158 -6.193 15.636 -2.855 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -4.337 14.583 -4.183 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -5.002 15.295 -5.639 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -4.474 17.861 -6.104 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -2.944 19.615 -4.979 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -3.420 15.290 -1.817 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -1.480 19.819 -2.585 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -1.930 16.327 -0.153 1.00 1.03 H new ATOM 0 HH2 TRP A 158 -0.977 18.562 -0.533 1.00 1.07 H new TER 2540 TRP A 158