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 48 GLN : amide:sc= -11.6! C(o=-13!,f=-16!) USER MOD Set 1.2: A 50 GLN : amide:sc= -1.23! K(o=-13!,f=-14) USER MOD Single : A 1 THR N :NH3+ -100:sc= 0.115 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0521 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 55:sc= -1.87 USER MOD Single : A 10 ASN :FLIP amide:sc= -13! C(o=-14!,f=-13!) USER MOD Single : A 13 SER OG : rot -166:sc= 1.26 USER MOD Single : A 17 GLN :FLIP amide:sc= -6.84! C(o=-7.6!,f=-6.8!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0722 F(o=-2.3!,f=-0.072) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0236 (180deg=-0.226) USER MOD Single : A 31 SER OG : rot -42:sc= -1.2! USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.0155 USER MOD Single : A 37 SER OG : rot -95:sc= -0.463! 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 16:sc= -0.414! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.9!) USER MOD Single : A 62 THR OG1 : rot 71:sc= 1.36 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.204 F(o=-2,f=-0.2) USER MOD Single : A 72 HIS : no HD1:sc= -16.3! C(o=-16!,f=-18!) USER MOD Single : A 73 THR OG1 : rot -31:sc= 0.999 USER MOD Single : A 74 GLN : amide:sc= -1.85! C(o=-1.8!,f=-4.9!) USER MOD Single : A 79 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.024) USER MOD Single : A 80 GLN : amide:sc= -12.5! C(o=-12!,f=-14!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -22:sc= -0.882! USER MOD Single : A 99 MET CE :methyl -165:sc= -0.0359 (180deg=-0.513) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.437 F(o=-5.4!,f=-0.44) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.314 F(o=-2.9!,f=-0.31) USER MOD Single : A 108 THR OG1 : rot 150:sc= -3.47! USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= -1.35 (180deg=-3.52!) USER MOD Single : A 120 ASN : amide:sc= -3.94 K(o=-3.9,f=-4.8!) USER MOD Single : A 124 MET CE :methyl -157:sc= -11.7! (180deg=-14.2!) USER MOD Single : A 142 MET CE :methyl -160:sc= -0.193 (180deg=-0.738) USER MOD Single : A 145 GLN :FLIP amide:sc= -5.39! C(o=-10!,f=-5.4!) USER MOD Single : A 148 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.331) USER MOD Single : A 156 ASN : amide:sc= -0.193 K(o=-0.19,f=-3.5!) USER MOD Single : A 157 LYS NZ :NH3+ -169:sc= -0.0224 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 1.821 -13.689 -9.349 1.00 0.73 N ATOM 2 CA THR A 1 0.856 -13.007 -8.449 1.00 0.53 C ATOM 3 C THR A 1 1.035 -11.490 -8.509 1.00 0.47 C ATOM 4 O THR A 1 2.033 -10.997 -9.037 1.00 0.70 O ATOM 5 CB THR A 1 1.074 -13.527 -7.024 1.00 0.54 C ATOM 6 OG1 THR A 1 1.067 -14.943 -7.003 1.00 0.58 O ATOM 7 CG2 THR A 1 0.017 -13.057 -6.047 1.00 0.81 C ATOM 0 H1 THR A 1 1.343 -13.952 -10.234 1.00 0.73 H new ATOM 0 H2 THR A 1 2.612 -13.048 -9.560 1.00 0.73 H new ATOM 0 H3 THR A 1 2.184 -14.545 -8.884 1.00 0.73 H new ATOM 0 HA THR A 1 -0.163 -13.224 -8.768 1.00 0.53 H new ATOM 0 HB THR A 1 2.040 -13.127 -6.716 1.00 0.54 H new ATOM 0 HG1 THR A 1 1.209 -15.257 -6.086 1.00 0.58 H new ATOM 0 HG21 THR A 1 0.231 -13.461 -5.057 1.00 0.81 H new ATOM 0 HG22 THR A 1 0.021 -11.968 -6.003 1.00 0.81 H new ATOM 0 HG23 THR A 1 -0.963 -13.403 -6.376 1.00 0.81 H new ATOM 17 N VAL A 2 0.063 -10.755 -7.977 1.00 0.44 N ATOM 18 CA VAL A 2 0.112 -9.294 -7.986 1.00 0.42 C ATOM 19 C VAL A 2 0.329 -8.724 -6.588 1.00 0.38 C ATOM 20 O VAL A 2 -0.184 -9.252 -5.604 1.00 0.43 O ATOM 21 CB VAL A 2 -1.180 -8.689 -8.566 1.00 0.51 C ATOM 22 CG1 VAL A 2 -1.196 -7.181 -8.392 1.00 1.29 C ATOM 23 CG2 VAL A 2 -1.333 -9.047 -10.032 1.00 0.85 C ATOM 0 H VAL A 2 -0.769 -11.146 -7.534 1.00 0.44 H new ATOM 0 HA VAL A 2 0.958 -9.024 -8.619 1.00 0.42 H new ATOM 0 HB VAL A 2 -2.022 -9.111 -8.016 1.00 0.51 H new ATOM 0 HG11 VAL A 2 -2.118 -6.776 -8.809 1.00 1.29 H new ATOM 0 HG12 VAL A 2 -1.140 -6.937 -7.331 1.00 1.29 H new ATOM 0 HG13 VAL A 2 -0.342 -6.746 -8.910 1.00 1.29 H new ATOM 0 HG21 VAL A 2 -2.253 -8.609 -10.420 1.00 0.85 H new ATOM 0 HG22 VAL A 2 -0.482 -8.659 -10.592 1.00 0.85 H new ATOM 0 HG23 VAL A 2 -1.374 -10.131 -10.139 1.00 0.85 H new ATOM 33 N ALA A 3 1.074 -7.623 -6.521 1.00 0.38 N ATOM 34 CA ALA A 3 1.343 -6.952 -5.258 1.00 0.40 C ATOM 35 C ALA A 3 0.389 -5.779 -5.070 1.00 0.40 C ATOM 36 O ALA A 3 0.519 -4.745 -5.724 1.00 0.65 O ATOM 37 CB ALA A 3 2.789 -6.478 -5.206 1.00 0.43 C ATOM 0 H ALA A 3 1.502 -7.177 -7.332 1.00 0.38 H new ATOM 0 HA ALA A 3 1.184 -7.661 -4.446 1.00 0.40 H new ATOM 0 HB1 ALA A 3 2.974 -5.978 -4.255 1.00 0.43 H new ATOM 0 HB2 ALA A 3 3.456 -7.335 -5.302 1.00 0.43 H new ATOM 0 HB3 ALA A 3 2.973 -5.781 -6.024 1.00 0.43 H new ATOM 43 N TYR A 4 -0.571 -5.952 -4.171 1.00 0.25 N ATOM 44 CA TYR A 4 -1.562 -4.925 -3.882 1.00 0.24 C ATOM 45 C TYR A 4 -1.081 -4.082 -2.699 1.00 0.27 C ATOM 46 O TYR A 4 -1.546 -4.249 -1.571 1.00 0.35 O ATOM 47 CB TYR A 4 -2.899 -5.593 -3.568 1.00 0.25 C ATOM 48 CG TYR A 4 -3.361 -6.559 -4.647 1.00 0.27 C ATOM 49 CD1 TYR A 4 -2.679 -7.745 -4.896 1.00 0.55 C ATOM 50 CD2 TYR A 4 -4.477 -6.279 -5.421 1.00 0.62 C ATOM 51 CE1 TYR A 4 -3.094 -8.619 -5.881 1.00 0.61 C ATOM 52 CE2 TYR A 4 -4.899 -7.150 -6.407 1.00 0.66 C ATOM 53 CZ TYR A 4 -4.206 -8.316 -6.633 1.00 0.45 C ATOM 54 OH TYR A 4 -4.625 -9.182 -7.615 1.00 0.55 O ATOM 0 H TYR A 4 -0.684 -6.805 -3.624 1.00 0.25 H new ATOM 0 HA TYR A 4 -1.694 -4.271 -4.744 1.00 0.24 H new ATOM 0 HB2 TYR A 4 -2.815 -6.129 -2.623 1.00 0.25 H new ATOM 0 HB3 TYR A 4 -3.658 -4.823 -3.431 1.00 0.25 H new ATOM 0 HD1 TYR A 4 -1.807 -7.987 -4.307 1.00 0.55 H new ATOM 0 HD2 TYR A 4 -5.026 -5.365 -5.250 1.00 0.62 H new ATOM 0 HE1 TYR A 4 -2.550 -9.534 -6.060 1.00 0.61 H new ATOM 0 HE2 TYR A 4 -5.771 -6.916 -6.999 1.00 0.66 H new ATOM 0 HH TYR A 4 -5.424 -8.820 -8.051 1.00 0.55 H new ATOM 64 N ILE A 5 -0.105 -3.211 -2.964 1.00 0.28 N ATOM 65 CA ILE A 5 0.496 -2.375 -1.924 1.00 0.34 C ATOM 66 C ILE A 5 -0.269 -1.073 -1.694 1.00 0.34 C ATOM 67 O ILE A 5 -1.050 -0.637 -2.540 1.00 0.39 O ATOM 68 CB ILE A 5 1.956 -2.022 -2.285 1.00 0.41 C ATOM 69 CG1 ILE A 5 2.687 -3.252 -2.828 1.00 0.44 C ATOM 70 CG2 ILE A 5 2.689 -1.459 -1.076 1.00 0.53 C ATOM 71 CD1 ILE A 5 2.740 -4.411 -1.857 1.00 0.95 C ATOM 0 H ILE A 5 0.287 -3.066 -3.894 1.00 0.28 H new ATOM 0 HA ILE A 5 0.457 -2.964 -1.007 1.00 0.34 H new ATOM 0 HB ILE A 5 1.940 -1.258 -3.062 1.00 0.41 H new ATOM 0 HG12 ILE A 5 2.195 -3.580 -3.744 1.00 0.44 H new ATOM 0 HG13 ILE A 5 3.705 -2.969 -3.097 1.00 0.44 H new ATOM 0 HG21 ILE A 5 3.715 -1.217 -1.353 1.00 0.53 H new ATOM 0 HG22 ILE A 5 2.184 -0.557 -0.732 1.00 0.53 H new ATOM 0 HG23 ILE A 5 2.694 -2.199 -0.276 1.00 0.53 H new ATOM 0 HD11 ILE A 5 3.273 -5.244 -2.314 1.00 0.95 H new ATOM 0 HD12 ILE A 5 3.259 -4.102 -0.950 1.00 0.95 H new ATOM 0 HD13 ILE A 5 1.726 -4.723 -1.607 1.00 0.95 H new ATOM 83 N ALA A 6 -0.012 -0.450 -0.543 1.00 0.40 N ATOM 84 CA ALA A 6 -0.642 0.817 -0.182 1.00 0.44 C ATOM 85 C ALA A 6 0.413 1.815 0.296 1.00 0.42 C ATOM 86 O ALA A 6 0.973 1.662 1.383 1.00 0.58 O ATOM 87 CB ALA A 6 -1.698 0.598 0.891 1.00 0.53 C ATOM 0 H ALA A 6 0.635 -0.808 0.160 1.00 0.40 H new ATOM 0 HA ALA A 6 -1.132 1.228 -1.065 1.00 0.44 H new ATOM 0 HB1 ALA A 6 -2.158 1.552 1.149 1.00 0.53 H new ATOM 0 HB2 ALA A 6 -2.462 -0.084 0.516 1.00 0.53 H new ATOM 0 HB3 ALA A 6 -1.232 0.168 1.778 1.00 0.53 H new ATOM 93 N ILE A 7 0.692 2.823 -0.526 1.00 0.41 N ATOM 94 CA ILE A 7 1.697 3.830 -0.193 1.00 0.40 C ATOM 95 C ILE A 7 1.063 5.091 0.395 1.00 0.44 C ATOM 96 O ILE A 7 -0.012 5.513 -0.028 1.00 0.52 O ATOM 97 CB ILE A 7 2.538 4.221 -1.431 1.00 0.50 C ATOM 98 CG1 ILE A 7 3.331 3.019 -1.956 1.00 0.65 C ATOM 99 CG2 ILE A 7 3.481 5.369 -1.100 1.00 0.53 C ATOM 100 CD1 ILE A 7 2.478 1.951 -2.606 1.00 0.99 C ATOM 0 H ILE A 7 0.237 2.965 -1.428 1.00 0.41 H new ATOM 0 HA ILE A 7 2.347 3.378 0.556 1.00 0.40 H new ATOM 0 HB ILE A 7 1.852 4.548 -2.212 1.00 0.50 H new ATOM 0 HG12 ILE A 7 4.067 3.371 -2.679 1.00 0.65 H new ATOM 0 HG13 ILE A 7 3.884 2.573 -1.129 1.00 0.65 H new ATOM 0 HG21 ILE A 7 4.063 5.628 -1.984 1.00 0.53 H new ATOM 0 HG22 ILE A 7 2.902 6.235 -0.780 1.00 0.53 H new ATOM 0 HG23 ILE A 7 4.155 5.067 -0.298 1.00 0.53 H new ATOM 0 HD11 ILE A 7 3.115 1.136 -2.950 1.00 0.99 H new ATOM 0 HD12 ILE A 7 1.759 1.568 -1.881 1.00 0.99 H new ATOM 0 HD13 ILE A 7 1.945 2.378 -3.455 1.00 0.99 H new ATOM 112 N GLY A 8 1.749 5.691 1.367 1.00 0.50 N ATOM 113 CA GLY A 8 1.252 6.908 1.996 1.00 0.61 C ATOM 114 C GLY A 8 2.373 7.858 2.373 1.00 0.62 C ATOM 115 O GLY A 8 3.375 7.436 2.947 1.00 0.90 O ATOM 0 H GLY A 8 2.641 5.357 1.731 1.00 0.50 H new ATOM 0 HA2 GLY A 8 0.565 7.412 1.316 1.00 0.61 H new ATOM 0 HA3 GLY A 8 0.683 6.647 2.889 1.00 0.61 H new ATOM 119 N SER A 9 2.220 9.140 2.041 1.00 0.56 N ATOM 120 CA SER A 9 3.255 10.127 2.345 1.00 0.63 C ATOM 121 C SER A 9 2.678 11.422 2.904 1.00 0.66 C ATOM 122 O SER A 9 1.476 11.668 2.823 1.00 0.77 O ATOM 123 CB SER A 9 4.064 10.443 1.094 1.00 0.77 C ATOM 124 OG SER A 9 5.063 11.405 1.370 1.00 1.58 O ATOM 0 H SER A 9 1.399 9.516 1.567 1.00 0.56 H new ATOM 0 HA SER A 9 3.895 9.686 3.109 1.00 0.63 H new ATOM 0 HB2 SER A 9 4.526 9.531 0.715 1.00 0.77 H new ATOM 0 HB3 SER A 9 3.402 10.814 0.312 1.00 0.77 H new ATOM 0 HG SER A 9 5.620 11.094 2.114 1.00 1.58 H new ATOM 130 N ASN A 10 3.566 12.251 3.462 1.00 0.69 N ATOM 131 CA ASN A 10 3.174 13.534 4.038 1.00 0.79 C ATOM 132 C ASN A 10 4.369 14.484 4.175 1.00 0.83 C ATOM 133 O ASN A 10 4.398 15.546 3.553 1.00 0.98 O ATOM 134 CB ASN A 10 2.524 13.321 5.405 1.00 0.99 C ATOM 135 CG ASN A 10 1.129 12.744 5.301 1.00 1.05 C ATOM 136 OD1 ASN A 10 0.945 11.555 5.854 1.00 2.01 O flip ATOM 137 ND2 ASN A 10 0.230 13.356 4.725 1.00 1.01 N flip ATOM 0 H ASN A 10 4.564 12.052 3.525 1.00 0.69 H new ATOM 0 HA ASN A 10 2.456 13.993 3.359 1.00 0.79 H new ATOM 0 HB2 ASN A 10 3.147 12.652 5.999 1.00 0.99 H new ATOM 0 HB3 ASN A 10 2.481 14.272 5.935 1.00 0.99 H new ATOM 0 HD21 ASN A 10 0.418 14.270 4.313 1.00 1.01 H new ATOM 0 HD22 ASN A 10 -0.703 12.949 4.659 1.00 1.01 H new ATOM 144 N LEU A 11 5.343 14.102 5.004 1.00 0.83 N ATOM 145 CA LEU A 11 6.530 14.931 5.236 1.00 0.95 C ATOM 146 C LEU A 11 7.310 15.207 3.961 1.00 0.93 C ATOM 147 O LEU A 11 7.889 16.282 3.796 1.00 1.38 O ATOM 148 CB LEU A 11 7.457 14.273 6.264 1.00 1.12 C ATOM 149 CG LEU A 11 7.115 14.548 7.730 1.00 0.90 C ATOM 150 CD1 LEU A 11 8.050 13.777 8.648 1.00 1.77 C ATOM 151 CD2 LEU A 11 7.199 16.039 8.022 1.00 1.54 C ATOM 0 H LEU A 11 5.334 13.225 5.526 1.00 0.83 H new ATOM 0 HA LEU A 11 6.168 15.885 5.619 1.00 0.95 H new ATOM 0 HB2 LEU A 11 7.444 13.195 6.102 1.00 1.12 H new ATOM 0 HB3 LEU A 11 8.476 14.611 6.077 1.00 1.12 H new ATOM 0 HG LEU A 11 6.094 14.213 7.915 1.00 0.90 H new ATOM 0 HD11 LEU A 11 7.793 13.984 9.687 1.00 1.77 H new ATOM 0 HD12 LEU A 11 7.950 12.709 8.455 1.00 1.77 H new ATOM 0 HD13 LEU A 11 9.079 14.084 8.461 1.00 1.77 H new ATOM 0 HD21 LEU A 11 6.953 16.219 9.069 1.00 1.54 H new ATOM 0 HD22 LEU A 11 8.210 16.393 7.821 1.00 1.54 H new ATOM 0 HD23 LEU A 11 6.494 16.575 7.386 1.00 1.54 H new ATOM 163 N ALA A 12 7.341 14.233 3.074 1.00 0.84 N ATOM 164 CA ALA A 12 8.071 14.371 1.819 1.00 0.91 C ATOM 165 C ALA A 12 7.125 14.448 0.625 1.00 0.95 C ATOM 166 O ALA A 12 7.308 13.745 -0.367 1.00 1.72 O ATOM 167 CB ALA A 12 9.049 13.218 1.655 1.00 0.97 C ATOM 0 H ALA A 12 6.871 13.336 3.194 1.00 0.84 H new ATOM 0 HA ALA A 12 8.628 15.307 1.854 1.00 0.91 H new ATOM 0 HB1 ALA A 12 9.589 13.330 0.715 1.00 0.97 H new ATOM 0 HB2 ALA A 12 9.758 13.221 2.483 1.00 0.97 H new ATOM 0 HB3 ALA A 12 8.502 12.275 1.649 1.00 0.97 H new ATOM 173 N SER A 13 6.120 15.310 0.731 1.00 0.81 N ATOM 174 CA SER A 13 5.142 15.485 -0.339 1.00 0.79 C ATOM 175 C SER A 13 4.382 14.185 -0.593 1.00 0.71 C ATOM 176 O SER A 13 4.872 13.293 -1.288 1.00 0.71 O ATOM 177 CB SER A 13 5.830 15.956 -1.622 1.00 0.89 C ATOM 178 OG SER A 13 6.483 17.200 -1.422 1.00 1.47 O ATOM 0 H SER A 13 5.960 15.900 1.548 1.00 0.81 H new ATOM 0 HA SER A 13 4.428 16.247 -0.027 1.00 0.79 H new ATOM 0 HB2 SER A 13 6.555 15.209 -1.946 1.00 0.89 H new ATOM 0 HB3 SER A 13 5.093 16.052 -2.420 1.00 0.89 H new ATOM 0 HG SER A 13 6.720 17.588 -2.290 1.00 1.47 H new ATOM 184 N PRO A 14 3.171 14.063 -0.022 1.00 0.69 N ATOM 185 CA PRO A 14 2.324 12.874 -0.169 1.00 0.66 C ATOM 186 C PRO A 14 2.293 12.306 -1.590 1.00 0.67 C ATOM 187 O PRO A 14 2.178 11.095 -1.777 1.00 0.66 O ATOM 188 CB PRO A 14 0.952 13.392 0.209 1.00 0.68 C ATOM 189 CG PRO A 14 1.210 14.463 1.211 1.00 0.80 C ATOM 190 CD PRO A 14 2.526 15.087 0.829 1.00 0.78 C ATOM 0 HA PRO A 14 2.692 12.050 0.442 1.00 0.66 H new ATOM 0 HB2 PRO A 14 0.424 13.783 -0.661 1.00 0.68 H new ATOM 0 HB3 PRO A 14 0.332 12.600 0.628 1.00 0.68 H new ATOM 0 HG2 PRO A 14 0.411 15.204 1.203 1.00 0.80 H new ATOM 0 HG3 PRO A 14 1.253 14.051 2.219 1.00 0.80 H new ATOM 0 HD2 PRO A 14 2.383 16.023 0.289 1.00 0.78 H new ATOM 0 HD3 PRO A 14 3.130 15.315 1.707 1.00 0.78 H new ATOM 198 N LEU A 15 2.365 13.185 -2.584 1.00 0.73 N ATOM 199 CA LEU A 15 2.312 12.768 -3.986 1.00 0.78 C ATOM 200 C LEU A 15 3.677 12.366 -4.549 1.00 0.73 C ATOM 201 O LEU A 15 3.771 11.426 -5.338 1.00 0.79 O ATOM 202 CB LEU A 15 1.714 13.893 -4.836 1.00 0.92 C ATOM 203 CG LEU A 15 1.657 13.617 -6.342 1.00 0.98 C ATOM 204 CD1 LEU A 15 0.813 12.386 -6.632 1.00 1.00 C ATOM 205 CD2 LEU A 15 1.108 14.828 -7.081 1.00 1.15 C ATOM 0 H LEU A 15 2.460 14.191 -2.448 1.00 0.73 H new ATOM 0 HA LEU A 15 1.681 11.880 -4.027 1.00 0.78 H new ATOM 0 HB2 LEU A 15 0.703 14.095 -4.482 1.00 0.92 H new ATOM 0 HB3 LEU A 15 2.297 14.799 -4.671 1.00 0.92 H new ATOM 0 HG LEU A 15 2.670 13.425 -6.695 1.00 0.98 H new ATOM 0 HD11 LEU A 15 0.786 12.208 -7.707 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.248 11.521 -6.132 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.201 12.545 -6.265 1.00 1.00 H new ATOM 0 HD21 LEU A 15 1.073 14.617 -8.150 1.00 1.15 H new ATOM 0 HD22 LEU A 15 0.103 15.048 -6.722 1.00 1.15 H new ATOM 0 HD23 LEU A 15 1.754 15.687 -6.902 1.00 1.15 H new ATOM 217 N GLU A 16 4.725 13.091 -4.172 1.00 0.71 N ATOM 218 CA GLU A 16 6.065 12.817 -4.674 1.00 0.71 C ATOM 219 C GLU A 16 6.599 11.465 -4.225 1.00 0.63 C ATOM 220 O GLU A 16 7.428 10.864 -4.910 1.00 0.65 O ATOM 221 CB GLU A 16 7.012 13.912 -4.210 1.00 0.81 C ATOM 222 CG GLU A 16 6.740 15.261 -4.851 1.00 0.95 C ATOM 223 CD GLU A 16 7.766 16.309 -4.465 1.00 1.57 C ATOM 224 OE1 GLU A 16 8.966 16.090 -4.723 1.00 2.35 O ATOM 225 OE2 GLU A 16 7.365 17.349 -3.899 1.00 2.01 O ATOM 0 H GLU A 16 4.671 13.873 -3.520 1.00 0.71 H new ATOM 0 HA GLU A 16 6.003 12.794 -5.762 1.00 0.71 H new ATOM 0 HB2 GLU A 16 6.937 14.012 -3.127 1.00 0.81 H new ATOM 0 HB3 GLU A 16 8.036 13.613 -4.432 1.00 0.81 H new ATOM 0 HG2 GLU A 16 6.731 15.149 -5.935 1.00 0.95 H new ATOM 0 HG3 GLU A 16 5.748 15.604 -4.558 1.00 0.95 H new ATOM 232 N GLN A 17 6.151 10.994 -3.069 1.00 0.59 N ATOM 233 CA GLN A 17 6.630 9.721 -2.553 1.00 0.56 C ATOM 234 C GLN A 17 5.905 8.541 -3.187 1.00 0.55 C ATOM 235 O GLN A 17 6.408 7.420 -3.174 1.00 0.61 O ATOM 236 CB GLN A 17 6.493 9.683 -1.035 1.00 0.62 C ATOM 237 CG GLN A 17 7.228 10.816 -0.335 1.00 0.71 C ATOM 238 CD GLN A 17 8.713 10.839 -0.642 1.00 1.20 C ATOM 239 OE1 GLN A 17 9.527 10.535 0.360 1.00 1.99 O flip ATOM 240 NE2 GLN A 17 9.123 11.120 -1.770 1.00 1.63 N flip ATOM 0 H GLN A 17 5.467 11.467 -2.479 1.00 0.59 H new ATOM 0 HA GLN A 17 7.684 9.632 -2.817 1.00 0.56 H new ATOM 0 HB2 GLN A 17 5.436 9.727 -0.771 1.00 0.62 H new ATOM 0 HB3 GLN A 17 6.874 8.730 -0.667 1.00 0.62 H new ATOM 0 HG2 GLN A 17 6.786 11.767 -0.633 1.00 0.71 H new ATOM 0 HG3 GLN A 17 7.087 10.723 0.742 1.00 0.71 H new ATOM 0 HE21 GLN A 17 8.461 11.348 -2.511 1.00 1.63 H new ATOM 0 HE22 GLN A 17 10.125 11.125 -1.962 1.00 1.63 H new ATOM 249 N VAL A 18 4.728 8.797 -3.746 1.00 0.56 N ATOM 250 CA VAL A 18 3.946 7.746 -4.388 1.00 0.62 C ATOM 251 C VAL A 18 4.423 7.498 -5.816 1.00 0.60 C ATOM 252 O VAL A 18 4.350 6.376 -6.315 1.00 0.64 O ATOM 253 CB VAL A 18 2.442 8.086 -4.400 1.00 0.76 C ATOM 254 CG1 VAL A 18 1.650 7.014 -5.131 1.00 0.82 C ATOM 255 CG2 VAL A 18 1.930 8.255 -2.978 1.00 0.83 C ATOM 0 H VAL A 18 4.295 9.720 -3.768 1.00 0.56 H new ATOM 0 HA VAL A 18 4.094 6.839 -3.801 1.00 0.62 H new ATOM 0 HB VAL A 18 2.306 9.027 -4.934 1.00 0.76 H new ATOM 0 HG11 VAL A 18 0.592 7.276 -5.126 1.00 0.82 H new ATOM 0 HG12 VAL A 18 2.001 6.941 -6.160 1.00 0.82 H new ATOM 0 HG13 VAL A 18 1.788 6.055 -4.631 1.00 0.82 H new ATOM 0 HG21 VAL A 18 0.867 8.495 -3.000 1.00 0.83 H new ATOM 0 HG22 VAL A 18 2.082 7.328 -2.424 1.00 0.83 H new ATOM 0 HG23 VAL A 18 2.474 9.063 -2.489 1.00 0.83 H new ATOM 265 N ASN A 19 4.915 8.547 -6.466 1.00 0.60 N ATOM 266 CA ASN A 19 5.404 8.428 -7.834 1.00 0.64 C ATOM 267 C ASN A 19 6.580 7.461 -7.915 1.00 0.56 C ATOM 268 O ASN A 19 6.566 6.520 -8.705 1.00 0.63 O ATOM 269 CB ASN A 19 5.819 9.797 -8.379 1.00 0.72 C ATOM 270 CG ASN A 19 4.660 10.773 -8.449 1.00 0.82 C ATOM 271 OD1 ASN A 19 4.820 11.927 -7.812 1.00 0.92 O flip ATOM 272 ND2 ASN A 19 3.637 10.496 -9.075 1.00 0.84 N flip ATOM 0 H ASN A 19 4.986 9.484 -6.070 1.00 0.60 H new ATOM 0 HA ASN A 19 4.590 8.035 -8.443 1.00 0.64 H new ATOM 0 HB2 ASN A 19 6.602 10.214 -7.746 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.246 9.673 -9.374 1.00 0.72 H new ATOM 0 HD21 ASN A 19 3.557 9.597 -9.550 1.00 0.84 H new ATOM 0 HD22 ASN A 19 2.869 11.166 -9.119 1.00 0.84 H new ATOM 279 N ALA A 20 7.600 7.701 -7.093 1.00 0.47 N ATOM 280 CA ALA A 20 8.791 6.856 -7.077 1.00 0.42 C ATOM 281 C ALA A 20 8.533 5.527 -6.378 1.00 0.35 C ATOM 282 O ALA A 20 9.182 4.525 -6.679 1.00 0.36 O ATOM 283 CB ALA A 20 9.944 7.587 -6.406 1.00 0.43 C ATOM 0 H ALA A 20 7.625 8.475 -6.429 1.00 0.47 H new ATOM 0 HA ALA A 20 9.055 6.638 -8.112 1.00 0.42 H new ATOM 0 HB1 ALA A 20 10.826 6.947 -6.400 1.00 0.43 H new ATOM 0 HB2 ALA A 20 10.163 8.502 -6.955 1.00 0.43 H new ATOM 0 HB3 ALA A 20 9.670 7.836 -5.381 1.00 0.43 H new ATOM 289 N ALA A 21 7.586 5.515 -5.446 1.00 0.36 N ATOM 290 CA ALA A 21 7.256 4.295 -4.716 1.00 0.39 C ATOM 291 C ALA A 21 6.811 3.196 -5.672 1.00 0.41 C ATOM 292 O ALA A 21 7.275 2.058 -5.586 1.00 0.44 O ATOM 293 CB ALA A 21 6.180 4.571 -3.678 1.00 0.46 C ATOM 0 H ALA A 21 7.036 6.331 -5.179 1.00 0.36 H new ATOM 0 HA ALA A 21 8.153 3.952 -4.200 1.00 0.39 H new ATOM 0 HB1 ALA A 21 5.946 3.651 -3.143 1.00 0.46 H new ATOM 0 HB2 ALA A 21 6.539 5.320 -2.972 1.00 0.46 H new ATOM 0 HB3 ALA A 21 5.282 4.941 -4.174 1.00 0.46 H new ATOM 299 N LEU A 22 5.910 3.544 -6.585 1.00 0.47 N ATOM 300 CA LEU A 22 5.402 2.587 -7.562 1.00 0.53 C ATOM 301 C LEU A 22 6.327 2.491 -8.775 1.00 0.50 C ATOM 302 O LEU A 22 6.420 1.442 -9.412 1.00 0.64 O ATOM 303 CB LEU A 22 3.980 2.974 -7.992 1.00 0.70 C ATOM 304 CG LEU A 22 3.813 4.394 -8.547 1.00 0.81 C ATOM 305 CD1 LEU A 22 4.294 4.481 -9.988 1.00 1.28 C ATOM 306 CD2 LEU A 22 2.360 4.832 -8.445 1.00 1.35 C ATOM 0 H LEU A 22 5.517 4.481 -6.669 1.00 0.47 H new ATOM 0 HA LEU A 22 5.370 1.604 -7.092 1.00 0.53 H new ATOM 0 HB2 LEU A 22 3.645 2.266 -8.750 1.00 0.70 H new ATOM 0 HB3 LEU A 22 3.318 2.859 -7.134 1.00 0.70 H new ATOM 0 HG LEU A 22 4.427 5.066 -7.947 1.00 0.81 H new ATOM 0 HD11 LEU A 22 4.163 5.499 -10.354 1.00 1.28 H new ATOM 0 HD12 LEU A 22 5.349 4.211 -10.036 1.00 1.28 H new ATOM 0 HD13 LEU A 22 3.715 3.796 -10.607 1.00 1.28 H new ATOM 0 HD21 LEU A 22 2.256 5.842 -8.842 1.00 1.35 H new ATOM 0 HD22 LEU A 22 1.733 4.150 -9.019 1.00 1.35 H new ATOM 0 HD23 LEU A 22 2.049 4.819 -7.401 1.00 1.35 H new ATOM 318 N LYS A 23 7.005 3.589 -9.090 1.00 0.45 N ATOM 319 CA LYS A 23 7.917 3.622 -10.232 1.00 0.49 C ATOM 320 C LYS A 23 9.082 2.660 -10.022 1.00 0.43 C ATOM 321 O LYS A 23 9.504 1.970 -10.950 1.00 0.51 O ATOM 322 CB LYS A 23 8.434 5.052 -10.450 1.00 0.56 C ATOM 323 CG LYS A 23 9.192 5.262 -11.757 1.00 0.93 C ATOM 324 CD LYS A 23 10.595 4.675 -11.711 1.00 1.62 C ATOM 325 CE LYS A 23 11.356 4.947 -13.000 1.00 2.52 C ATOM 326 NZ LYS A 23 10.647 4.405 -14.190 1.00 3.23 N ATOM 0 H LYS A 23 6.942 4.466 -8.574 1.00 0.45 H new ATOM 0 HA LYS A 23 7.372 3.304 -11.121 1.00 0.49 H new ATOM 0 HB2 LYS A 23 7.588 5.738 -10.422 1.00 0.56 H new ATOM 0 HB3 LYS A 23 9.088 5.318 -9.619 1.00 0.56 H new ATOM 0 HG2 LYS A 23 8.636 4.804 -12.575 1.00 0.93 H new ATOM 0 HG3 LYS A 23 9.254 6.329 -11.971 1.00 0.93 H new ATOM 0 HD2 LYS A 23 11.141 5.100 -10.869 1.00 1.62 H new ATOM 0 HD3 LYS A 23 10.535 3.600 -11.543 1.00 1.62 H new ATOM 0 HE2 LYS A 23 11.495 6.021 -13.119 1.00 2.52 H new ATOM 0 HE3 LYS A 23 12.349 4.502 -12.936 1.00 2.52 H new ATOM 0 HZ1 LYS A 23 11.288 4.412 -15.009 1.00 3.23 H new ATOM 0 HZ2 LYS A 23 10.341 3.430 -13.998 1.00 3.23 H new ATOM 0 HZ3 LYS A 23 9.815 4.994 -14.397 1.00 3.23 H new ATOM 340 N ALA A 24 9.597 2.627 -8.800 1.00 0.37 N ATOM 341 CA ALA A 24 10.722 1.761 -8.461 1.00 0.41 C ATOM 342 C ALA A 24 10.386 0.285 -8.660 1.00 0.41 C ATOM 343 O ALA A 24 11.282 -0.557 -8.703 1.00 0.43 O ATOM 344 CB ALA A 24 11.161 2.011 -7.027 1.00 0.46 C ATOM 0 H ALA A 24 9.253 3.192 -8.023 1.00 0.37 H new ATOM 0 HA ALA A 24 11.541 2.005 -9.138 1.00 0.41 H new ATOM 0 HB1 ALA A 24 12.001 1.360 -6.785 1.00 0.46 H new ATOM 0 HB2 ALA A 24 11.465 3.052 -6.916 1.00 0.46 H new ATOM 0 HB3 ALA A 24 10.332 1.801 -6.351 1.00 0.46 H new ATOM 350 N LEU A 25 9.098 -0.030 -8.778 1.00 0.43 N ATOM 351 CA LEU A 25 8.672 -1.414 -8.967 1.00 0.48 C ATOM 352 C LEU A 25 8.992 -1.893 -10.380 1.00 0.49 C ATOM 353 O LEU A 25 9.009 -3.095 -10.648 1.00 0.57 O ATOM 354 CB LEU A 25 7.174 -1.559 -8.690 1.00 0.53 C ATOM 355 CG LEU A 25 6.734 -1.201 -7.267 1.00 0.70 C ATOM 356 CD1 LEU A 25 5.231 -1.370 -7.114 1.00 0.95 C ATOM 357 CD2 LEU A 25 7.469 -2.060 -6.250 1.00 1.00 C ATOM 0 H LEU A 25 8.337 0.648 -8.746 1.00 0.43 H new ATOM 0 HA LEU A 25 9.221 -2.034 -8.259 1.00 0.48 H new ATOM 0 HB2 LEU A 25 6.629 -0.927 -9.391 1.00 0.53 H new ATOM 0 HB3 LEU A 25 6.881 -2.589 -8.895 1.00 0.53 H new ATOM 0 HG LEU A 25 6.985 -0.156 -7.084 1.00 0.70 H new ATOM 0 HD11 LEU A 25 4.937 -1.111 -6.097 1.00 0.95 H new ATOM 0 HD12 LEU A 25 4.718 -0.715 -7.818 1.00 0.95 H new ATOM 0 HD13 LEU A 25 4.959 -2.406 -7.318 1.00 0.95 H new ATOM 0 HD21 LEU A 25 7.144 -1.792 -5.245 1.00 1.00 H new ATOM 0 HD22 LEU A 25 7.248 -3.111 -6.435 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.542 -1.893 -6.341 1.00 1.00 H new ATOM 369 N GLY A 26 9.250 -0.948 -11.279 1.00 0.47 N ATOM 370 CA GLY A 26 9.572 -1.298 -12.649 1.00 0.53 C ATOM 371 C GLY A 26 10.999 -1.793 -12.794 1.00 0.50 C ATOM 372 O GLY A 26 11.382 -2.311 -13.843 1.00 0.64 O ATOM 0 H GLY A 26 9.242 0.053 -11.083 1.00 0.47 H new ATOM 0 HA2 GLY A 26 8.885 -2.069 -12.996 1.00 0.53 H new ATOM 0 HA3 GLY A 26 9.424 -0.428 -13.289 1.00 0.53 H new ATOM 376 N ASP A 27 11.786 -1.636 -11.732 1.00 0.43 N ATOM 377 CA ASP A 27 13.176 -2.071 -11.732 1.00 0.46 C ATOM 378 C ASP A 27 13.376 -3.215 -10.740 1.00 0.41 C ATOM 379 O ASP A 27 14.364 -3.946 -10.802 1.00 0.56 O ATOM 380 CB ASP A 27 14.096 -0.897 -11.378 1.00 0.59 C ATOM 381 CG ASP A 27 15.565 -1.226 -11.551 1.00 1.05 C ATOM 382 OD1 ASP A 27 15.878 -2.337 -12.029 1.00 1.50 O ATOM 383 OD2 ASP A 27 16.408 -0.368 -11.215 1.00 1.48 O ATOM 0 H ASP A 27 11.481 -1.208 -10.858 1.00 0.43 H new ATOM 0 HA ASP A 27 13.429 -2.429 -12.730 1.00 0.46 H new ATOM 0 HB2 ASP A 27 13.844 -0.042 -12.006 1.00 0.59 H new ATOM 0 HB3 ASP A 27 13.915 -0.599 -10.345 1.00 0.59 H new ATOM 388 N ILE A 28 12.418 -3.366 -9.830 1.00 0.37 N ATOM 389 CA ILE A 28 12.467 -4.419 -8.822 1.00 0.36 C ATOM 390 C ILE A 28 12.582 -5.798 -9.472 1.00 0.42 C ATOM 391 O ILE A 28 11.978 -6.053 -10.514 1.00 0.47 O ATOM 392 CB ILE A 28 11.211 -4.374 -7.921 1.00 0.41 C ATOM 393 CG1 ILE A 28 11.250 -3.143 -7.009 1.00 0.45 C ATOM 394 CG2 ILE A 28 11.075 -5.649 -7.100 1.00 0.47 C ATOM 395 CD1 ILE A 28 12.413 -3.136 -6.038 1.00 1.27 C ATOM 0 H ILE A 28 11.594 -2.768 -9.771 1.00 0.37 H new ATOM 0 HA ILE A 28 13.352 -4.246 -8.209 1.00 0.36 H new ATOM 0 HB ILE A 28 10.336 -4.300 -8.566 1.00 0.41 H new ATOM 0 HG12 ILE A 28 11.300 -2.246 -7.627 1.00 0.45 H new ATOM 0 HG13 ILE A 28 10.318 -3.091 -6.446 1.00 0.45 H new ATOM 0 HG21 ILE A 28 10.183 -5.587 -6.477 1.00 0.47 H new ATOM 0 HG22 ILE A 28 10.992 -6.505 -7.769 1.00 0.47 H new ATOM 0 HG23 ILE A 28 11.953 -5.769 -6.465 1.00 0.47 H new ATOM 0 HD11 ILE A 28 12.372 -2.234 -5.428 1.00 1.27 H new ATOM 0 HD12 ILE A 28 12.354 -4.013 -5.394 1.00 1.27 H new ATOM 0 HD13 ILE A 28 13.351 -3.156 -6.593 1.00 1.27 H new ATOM 407 N PRO A 29 13.360 -6.712 -8.862 1.00 0.49 N ATOM 408 CA PRO A 29 13.542 -8.067 -9.390 1.00 0.65 C ATOM 409 C PRO A 29 12.262 -8.897 -9.299 1.00 0.73 C ATOM 410 O PRO A 29 11.554 -8.854 -8.292 1.00 0.77 O ATOM 411 CB PRO A 29 14.633 -8.654 -8.491 1.00 0.75 C ATOM 412 CG PRO A 29 14.533 -7.886 -7.220 1.00 0.74 C ATOM 413 CD PRO A 29 14.120 -6.499 -7.615 1.00 0.51 C ATOM 0 HA PRO A 29 13.804 -8.065 -10.448 1.00 0.65 H new ATOM 0 HB2 PRO A 29 14.476 -9.719 -8.323 1.00 0.75 H new ATOM 0 HB3 PRO A 29 15.619 -8.545 -8.943 1.00 0.75 H new ATOM 0 HG2 PRO A 29 13.802 -8.335 -6.547 1.00 0.74 H new ATOM 0 HG3 PRO A 29 15.487 -7.875 -6.693 1.00 0.74 H new ATOM 0 HD2 PRO A 29 13.507 -6.028 -6.846 1.00 0.51 H new ATOM 0 HD3 PRO A 29 14.983 -5.853 -7.776 1.00 0.51 H new ATOM 421 N GLU A 30 11.978 -9.647 -10.360 1.00 0.83 N ATOM 422 CA GLU A 30 10.785 -10.490 -10.420 1.00 0.95 C ATOM 423 C GLU A 30 9.518 -9.686 -10.160 1.00 0.84 C ATOM 424 O GLU A 30 8.605 -10.156 -9.489 1.00 1.18 O ATOM 425 CB GLU A 30 10.879 -11.646 -9.421 1.00 1.17 C ATOM 426 CG GLU A 30 11.958 -12.652 -9.768 1.00 1.47 C ATOM 427 CD GLU A 30 13.316 -12.296 -9.197 1.00 2.16 C ATOM 428 OE1 GLU A 30 13.398 -11.326 -8.421 1.00 2.65 O ATOM 429 OE2 GLU A 30 14.296 -13.003 -9.515 1.00 2.84 O ATOM 0 H GLU A 30 12.561 -9.689 -11.196 1.00 0.83 H new ATOM 0 HA GLU A 30 10.732 -10.898 -11.429 1.00 0.95 H new ATOM 0 HB2 GLU A 30 11.074 -11.243 -8.427 1.00 1.17 H new ATOM 0 HB3 GLU A 30 9.917 -12.157 -9.375 1.00 1.17 H new ATOM 0 HG2 GLU A 30 11.662 -13.634 -9.398 1.00 1.47 H new ATOM 0 HG3 GLU A 30 12.037 -12.730 -10.852 1.00 1.47 H new ATOM 436 N SER A 31 9.466 -8.477 -10.705 1.00 0.60 N ATOM 437 CA SER A 31 8.301 -7.613 -10.534 1.00 0.54 C ATOM 438 C SER A 31 7.929 -6.928 -11.844 1.00 0.47 C ATOM 439 O SER A 31 8.799 -6.590 -12.646 1.00 0.59 O ATOM 440 CB SER A 31 8.573 -6.550 -9.470 1.00 0.57 C ATOM 441 OG SER A 31 9.553 -5.633 -9.917 1.00 1.37 O ATOM 0 H SER A 31 10.214 -8.072 -11.268 1.00 0.60 H new ATOM 0 HA SER A 31 7.470 -8.242 -10.215 1.00 0.54 H new ATOM 0 HB2 SER A 31 7.651 -6.018 -9.236 1.00 0.57 H new ATOM 0 HB3 SER A 31 8.908 -7.028 -8.549 1.00 0.57 H new ATOM 0 HG SER A 31 10.271 -6.119 -10.374 1.00 1.37 H new ATOM 447 N HIS A 32 6.632 -6.725 -12.055 1.00 0.38 N ATOM 448 CA HIS A 32 6.157 -6.078 -13.276 1.00 0.42 C ATOM 449 C HIS A 32 4.787 -5.431 -13.075 1.00 0.39 C ATOM 450 O HIS A 32 3.762 -6.096 -13.187 1.00 0.39 O ATOM 451 CB HIS A 32 6.079 -7.103 -14.405 1.00 0.52 C ATOM 452 CG HIS A 32 5.827 -6.496 -15.750 1.00 1.10 C ATOM 453 ND1 HIS A 32 6.670 -5.570 -16.329 1.00 1.90 N ATOM 454 CD2 HIS A 32 4.820 -6.690 -16.635 1.00 1.90 C ATOM 455 CE1 HIS A 32 6.192 -5.218 -17.508 1.00 2.46 C ATOM 456 NE2 HIS A 32 5.072 -5.883 -17.718 1.00 2.42 N ATOM 0 H HIS A 32 5.896 -6.996 -11.403 1.00 0.38 H new ATOM 0 HA HIS A 32 6.866 -5.291 -13.535 1.00 0.42 H new ATOM 0 HB2 HIS A 32 7.012 -7.666 -14.439 1.00 0.52 H new ATOM 0 HB3 HIS A 32 5.285 -7.816 -14.183 1.00 0.52 H new ATOM 0 HD2 HIS A 32 3.977 -7.354 -16.512 1.00 1.90 H new ATOM 0 HE1 HIS A 32 6.641 -4.507 -18.185 1.00 2.46 H new ATOM 0 HE2 HIS A 32 4.487 -5.810 -18.551 1.00 2.42 H new ATOM 465 N ILE A 33 4.770 -4.133 -12.786 1.00 0.42 N ATOM 466 CA ILE A 33 3.513 -3.418 -12.578 1.00 0.42 C ATOM 467 C ILE A 33 2.612 -3.486 -13.811 1.00 0.41 C ATOM 468 O ILE A 33 3.072 -3.329 -14.942 1.00 0.48 O ATOM 469 CB ILE A 33 3.750 -1.940 -12.195 1.00 0.51 C ATOM 470 CG1 ILE A 33 4.127 -1.838 -10.719 1.00 0.61 C ATOM 471 CG2 ILE A 33 2.515 -1.096 -12.496 1.00 0.79 C ATOM 472 CD1 ILE A 33 4.314 -0.415 -10.237 1.00 0.70 C ATOM 0 H ILE A 33 5.606 -3.557 -12.691 1.00 0.42 H new ATOM 0 HA ILE A 33 3.011 -3.918 -11.749 1.00 0.42 H new ATOM 0 HB ILE A 33 4.573 -1.553 -12.795 1.00 0.51 H new ATOM 0 HG12 ILE A 33 3.351 -2.316 -10.121 1.00 0.61 H new ATOM 0 HG13 ILE A 33 5.049 -2.394 -10.549 1.00 0.61 H new ATOM 0 HG21 ILE A 33 2.706 -0.060 -12.218 1.00 0.79 H new ATOM 0 HG22 ILE A 33 2.288 -1.150 -13.561 1.00 0.79 H new ATOM 0 HG23 ILE A 33 1.667 -1.475 -11.925 1.00 0.79 H new ATOM 0 HD11 ILE A 33 4.580 -0.421 -9.180 1.00 0.70 H new ATOM 0 HD12 ILE A 33 5.110 0.061 -10.809 1.00 0.70 H new ATOM 0 HD13 ILE A 33 3.386 0.141 -10.374 1.00 0.70 H new ATOM 484 N LEU A 34 1.323 -3.717 -13.572 1.00 0.39 N ATOM 485 CA LEU A 34 0.340 -3.805 -14.646 1.00 0.40 C ATOM 486 C LEU A 34 -0.498 -2.531 -14.731 1.00 0.37 C ATOM 487 O LEU A 34 -0.620 -1.931 -15.800 1.00 0.50 O ATOM 488 CB LEU A 34 -0.577 -5.011 -14.435 1.00 0.43 C ATOM 489 CG LEU A 34 0.123 -6.371 -14.438 1.00 0.66 C ATOM 490 CD1 LEU A 34 -0.876 -7.485 -14.166 1.00 1.42 C ATOM 491 CD2 LEU A 34 0.835 -6.605 -15.763 1.00 1.39 C ATOM 0 H LEU A 34 0.935 -3.847 -12.638 1.00 0.39 H new ATOM 0 HA LEU A 34 0.883 -3.926 -15.583 1.00 0.40 H new ATOM 0 HB2 LEU A 34 -1.097 -4.890 -13.484 1.00 0.43 H new ATOM 0 HB3 LEU A 34 -1.337 -5.010 -15.216 1.00 0.43 H new ATOM 0 HG LEU A 34 0.869 -6.374 -13.643 1.00 0.66 H new ATOM 0 HD11 LEU A 34 -0.361 -8.445 -14.172 1.00 1.42 H new ATOM 0 HD12 LEU A 34 -1.340 -7.328 -13.192 1.00 1.42 H new ATOM 0 HD13 LEU A 34 -1.645 -7.481 -14.939 1.00 1.42 H new ATOM 0 HD21 LEU A 34 1.327 -7.578 -15.745 1.00 1.39 H new ATOM 0 HD22 LEU A 34 0.109 -6.580 -16.576 1.00 1.39 H new ATOM 0 HD23 LEU A 34 1.580 -5.825 -15.918 1.00 1.39 H new ATOM 503 N THR A 35 -1.078 -2.123 -13.602 1.00 0.30 N ATOM 504 CA THR A 35 -1.907 -0.922 -13.568 1.00 0.33 C ATOM 505 C THR A 35 -1.494 -0.001 -12.426 1.00 0.34 C ATOM 506 O THR A 35 -0.886 -0.439 -11.449 1.00 0.44 O ATOM 507 CB THR A 35 -3.382 -1.300 -13.425 1.00 0.39 C ATOM 508 OG1 THR A 35 -3.602 -2.012 -12.220 1.00 0.97 O ATOM 509 CG2 THR A 35 -3.896 -2.156 -14.564 1.00 0.93 C ATOM 0 H THR A 35 -0.989 -2.603 -12.707 1.00 0.30 H new ATOM 0 HA THR A 35 -1.763 -0.388 -14.507 1.00 0.33 H new ATOM 0 HB THR A 35 -3.924 -0.354 -13.431 1.00 0.39 H new ATOM 0 HG1 THR A 35 -4.351 -2.632 -12.339 1.00 0.97 H new ATOM 0 HG21 THR A 35 -4.948 -2.387 -14.399 1.00 0.93 H new ATOM 0 HG22 THR A 35 -3.786 -1.615 -15.504 1.00 0.93 H new ATOM 0 HG23 THR A 35 -3.324 -3.083 -14.610 1.00 0.93 H new ATOM 517 N VAL A 36 -1.832 1.278 -12.555 1.00 0.33 N ATOM 518 CA VAL A 36 -1.502 2.267 -11.538 1.00 0.39 C ATOM 519 C VAL A 36 -2.710 3.144 -11.212 1.00 0.36 C ATOM 520 O VAL A 36 -3.387 3.641 -12.112 1.00 0.38 O ATOM 521 CB VAL A 36 -0.334 3.167 -11.988 1.00 0.51 C ATOM 522 CG1 VAL A 36 -0.008 4.202 -10.922 1.00 1.05 C ATOM 523 CG2 VAL A 36 0.893 2.329 -12.314 1.00 1.21 C ATOM 0 H VAL A 36 -2.336 1.654 -13.358 1.00 0.33 H new ATOM 0 HA VAL A 36 -1.204 1.717 -10.645 1.00 0.39 H new ATOM 0 HB VAL A 36 -0.640 3.694 -12.892 1.00 0.51 H new ATOM 0 HG11 VAL A 36 0.819 4.826 -11.261 1.00 1.05 H new ATOM 0 HG12 VAL A 36 -0.883 4.826 -10.741 1.00 1.05 H new ATOM 0 HG13 VAL A 36 0.274 3.697 -9.998 1.00 1.05 H new ATOM 0 HG21 VAL A 36 1.706 2.982 -12.630 1.00 1.21 H new ATOM 0 HG22 VAL A 36 1.198 1.771 -11.429 1.00 1.21 H new ATOM 0 HG23 VAL A 36 0.655 1.632 -13.118 1.00 1.21 H new ATOM 533 N SER A 37 -2.970 3.328 -9.922 1.00 0.35 N ATOM 534 CA SER A 37 -4.096 4.143 -9.474 1.00 0.35 C ATOM 535 C SER A 37 -3.759 5.629 -9.588 1.00 0.40 C ATOM 536 O SER A 37 -2.769 6.002 -10.218 1.00 0.72 O ATOM 537 CB SER A 37 -4.458 3.799 -8.027 1.00 0.36 C ATOM 538 OG SER A 37 -3.427 4.190 -7.138 1.00 1.35 O ATOM 0 H SER A 37 -2.416 2.924 -9.167 1.00 0.35 H new ATOM 0 HA SER A 37 -4.952 3.928 -10.113 1.00 0.35 H new ATOM 0 HB2 SER A 37 -5.388 4.298 -7.753 1.00 0.36 H new ATOM 0 HB3 SER A 37 -4.633 2.727 -7.937 1.00 0.36 H new ATOM 0 HG SER A 37 -2.835 3.428 -6.969 1.00 1.35 H new ATOM 544 N SER A 38 -4.587 6.473 -8.976 1.00 0.43 N ATOM 545 CA SER A 38 -4.371 7.915 -9.012 1.00 0.45 C ATOM 546 C SER A 38 -3.967 8.433 -7.635 1.00 0.47 C ATOM 547 O SER A 38 -3.730 7.654 -6.713 1.00 0.70 O ATOM 548 CB SER A 38 -5.633 8.631 -9.492 1.00 0.50 C ATOM 549 OG SER A 38 -5.993 8.211 -10.797 1.00 1.19 O ATOM 0 H SER A 38 -5.412 6.183 -8.451 1.00 0.43 H new ATOM 0 HA SER A 38 -3.561 8.121 -9.712 1.00 0.45 H new ATOM 0 HB2 SER A 38 -6.453 8.430 -8.803 1.00 0.50 H new ATOM 0 HB3 SER A 38 -5.468 9.708 -9.486 1.00 0.50 H new ATOM 0 HG SER A 38 -6.804 8.682 -11.080 1.00 1.19 H new ATOM 555 N PHE A 39 -3.895 9.753 -7.503 1.00 0.38 N ATOM 556 CA PHE A 39 -3.524 10.377 -6.243 1.00 0.43 C ATOM 557 C PHE A 39 -4.758 10.783 -5.447 1.00 0.40 C ATOM 558 O PHE A 39 -5.424 11.766 -5.762 1.00 0.65 O ATOM 559 CB PHE A 39 -2.616 11.583 -6.495 1.00 0.59 C ATOM 560 CG PHE A 39 -2.899 12.320 -7.783 1.00 1.42 C ATOM 561 CD1 PHE A 39 -4.150 12.874 -8.010 1.00 1.93 C ATOM 562 CD2 PHE A 39 -1.924 12.460 -8.760 1.00 2.21 C ATOM 563 CE1 PHE A 39 -4.421 13.553 -9.183 1.00 2.75 C ATOM 564 CE2 PHE A 39 -2.192 13.138 -9.935 1.00 3.01 C ATOM 565 CZ PHE A 39 -3.397 13.668 -10.165 1.00 3.17 C ATOM 0 H PHE A 39 -4.090 10.411 -8.257 1.00 0.38 H new ATOM 0 HA PHE A 39 -2.973 9.647 -5.649 1.00 0.43 H new ATOM 0 HB2 PHE A 39 -2.718 12.279 -5.663 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -1.579 11.246 -6.504 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -4.922 12.774 -7.261 1.00 1.93 H new ATOM 0 HD2 PHE A 39 -0.944 12.034 -8.601 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -5.394 13.989 -9.352 1.00 2.75 H new ATOM 0 HE2 PHE A 39 -1.415 13.241 -10.678 1.00 3.01 H new ATOM 0 HZ PHE A 39 -3.593 14.183 -11.094 1.00 3.17 H new ATOM 575 N TYR A 40 -5.062 10.012 -4.413 1.00 0.38 N ATOM 576 CA TYR A 40 -6.217 10.289 -3.572 1.00 0.37 C ATOM 577 C TYR A 40 -5.790 10.922 -2.258 1.00 0.40 C ATOM 578 O TYR A 40 -4.767 10.550 -1.685 1.00 0.53 O ATOM 579 CB TYR A 40 -7.003 9.003 -3.301 1.00 0.44 C ATOM 580 CG TYR A 40 -7.565 8.362 -4.549 1.00 0.49 C ATOM 581 CD1 TYR A 40 -6.728 7.738 -5.465 1.00 0.49 C ATOM 582 CD2 TYR A 40 -8.931 8.377 -4.812 1.00 0.59 C ATOM 583 CE1 TYR A 40 -7.235 7.145 -6.605 1.00 0.57 C ATOM 584 CE2 TYR A 40 -9.445 7.786 -5.951 1.00 0.67 C ATOM 585 CZ TYR A 40 -8.608 7.191 -6.846 1.00 0.66 C ATOM 586 OH TYR A 40 -9.100 6.580 -7.977 1.00 0.76 O ATOM 0 H TYR A 40 -4.525 9.190 -4.136 1.00 0.38 H new ATOM 0 HA TYR A 40 -6.860 10.991 -4.103 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -6.352 8.288 -2.798 1.00 0.44 H new ATOM 0 HB3 TYR A 40 -7.822 9.225 -2.617 1.00 0.44 H new ATOM 0 HD1 TYR A 40 -5.664 7.716 -5.283 1.00 0.49 H new ATOM 0 HD2 TYR A 40 -9.601 8.858 -4.115 1.00 0.59 H new ATOM 0 HE1 TYR A 40 -6.575 6.651 -7.303 1.00 0.57 H new ATOM 0 HE2 TYR A 40 -10.510 7.796 -6.131 1.00 0.67 H new ATOM 0 HH TYR A 40 -10.073 6.692 -8.013 1.00 0.76 H new ATOM 596 N ARG A 41 -6.583 11.872 -1.778 1.00 0.43 N ATOM 597 CA ARG A 41 -6.282 12.539 -0.522 1.00 0.50 C ATOM 598 C ARG A 41 -6.809 11.682 0.628 1.00 0.54 C ATOM 599 O ARG A 41 -8.010 11.430 0.721 1.00 0.67 O ATOM 600 CB ARG A 41 -6.899 13.943 -0.492 1.00 0.66 C ATOM 601 CG ARG A 41 -6.097 14.964 0.301 1.00 0.69 C ATOM 602 CD ARG A 41 -6.805 16.310 0.352 1.00 0.94 C ATOM 603 NE ARG A 41 -8.128 16.217 0.967 1.00 1.56 N ATOM 604 CZ ARG A 41 -8.334 15.881 2.239 1.00 2.07 C ATOM 605 NH1 ARG A 41 -7.307 15.622 3.036 1.00 2.32 N ATOM 606 NH2 ARG A 41 -9.570 15.813 2.715 1.00 2.95 N ATOM 0 H ARG A 41 -7.434 12.195 -2.238 1.00 0.43 H new ATOM 0 HA ARG A 41 -5.203 12.657 -0.418 1.00 0.50 H new ATOM 0 HB2 ARG A 41 -7.009 14.301 -1.516 1.00 0.66 H new ATOM 0 HB3 ARG A 41 -7.901 13.877 -0.068 1.00 0.66 H new ATOM 0 HG2 ARG A 41 -5.939 14.596 1.315 1.00 0.69 H new ATOM 0 HG3 ARG A 41 -5.113 15.086 -0.151 1.00 0.69 H new ATOM 0 HD2 ARG A 41 -6.195 17.018 0.913 1.00 0.94 H new ATOM 0 HD3 ARG A 41 -6.904 16.705 -0.659 1.00 0.94 H new ATOM 0 HE ARG A 41 -8.942 16.422 0.387 1.00 1.56 H new ATOM 0 HH11 ARG A 41 -6.355 15.680 2.676 1.00 2.32 H new ATOM 0 HH12 ARG A 41 -7.469 15.365 4.010 1.00 2.32 H new ATOM 0 HH21 ARG A 41 -10.363 16.018 2.107 1.00 2.95 H new ATOM 0 HH22 ARG A 41 -9.728 15.556 3.689 1.00 2.95 H new ATOM 620 N THR A 42 -5.902 11.195 1.474 1.00 0.61 N ATOM 621 CA THR A 42 -6.293 10.318 2.583 1.00 0.73 C ATOM 622 C THR A 42 -5.680 10.751 3.915 1.00 0.84 C ATOM 623 O THR A 42 -4.468 10.936 4.014 1.00 1.10 O ATOM 624 CB THR A 42 -5.859 8.885 2.277 1.00 0.81 C ATOM 625 OG1 THR A 42 -4.456 8.759 2.405 1.00 1.30 O ATOM 626 CG2 THR A 42 -6.228 8.430 0.882 1.00 1.28 C ATOM 0 H THR A 42 -4.902 11.388 1.417 1.00 0.61 H new ATOM 0 HA THR A 42 -7.377 10.383 2.680 1.00 0.73 H new ATOM 0 HB THR A 42 -6.388 8.260 2.997 1.00 0.81 H new ATOM 0 HG1 THR A 42 -4.103 9.525 2.904 1.00 1.30 H new ATOM 0 HG21 THR A 42 -5.890 7.404 0.733 1.00 1.28 H new ATOM 0 HG22 THR A 42 -7.310 8.477 0.758 1.00 1.28 H new ATOM 0 HG23 THR A 42 -5.750 9.080 0.149 1.00 1.28 H new ATOM 634 N PRO A 43 -6.514 10.899 4.967 1.00 0.74 N ATOM 635 CA PRO A 43 -6.052 11.307 6.303 1.00 0.86 C ATOM 636 C PRO A 43 -5.000 10.366 6.888 1.00 0.90 C ATOM 637 O PRO A 43 -5.315 9.250 7.304 1.00 0.94 O ATOM 638 CB PRO A 43 -7.324 11.290 7.159 1.00 0.98 C ATOM 639 CG PRO A 43 -8.316 10.489 6.385 1.00 0.87 C ATOM 640 CD PRO A 43 -7.968 10.677 4.936 1.00 0.71 C ATOM 0 HA PRO A 43 -5.562 12.280 6.267 1.00 0.86 H new ATOM 0 HB2 PRO A 43 -7.134 10.843 8.135 1.00 0.98 H new ATOM 0 HB3 PRO A 43 -7.690 12.301 7.338 1.00 0.98 H new ATOM 0 HG2 PRO A 43 -8.268 9.436 6.663 1.00 0.87 H new ATOM 0 HG3 PRO A 43 -9.332 10.827 6.588 1.00 0.87 H new ATOM 0 HD2 PRO A 43 -8.229 9.801 4.342 1.00 0.71 H new ATOM 0 HD3 PRO A 43 -8.496 11.526 4.502 1.00 0.71 H new ATOM 648 N PRO A 44 -3.730 10.817 6.930 1.00 0.98 N ATOM 649 CA PRO A 44 -2.605 10.046 7.461 1.00 1.12 C ATOM 650 C PRO A 44 -2.960 9.130 8.627 1.00 1.19 C ATOM 651 O PRO A 44 -2.562 7.965 8.643 1.00 2.06 O ATOM 652 CB PRO A 44 -1.666 11.154 7.919 1.00 1.28 C ATOM 653 CG PRO A 44 -1.835 12.206 6.883 1.00 1.18 C ATOM 654 CD PRO A 44 -3.279 12.142 6.453 1.00 1.03 C ATOM 0 HA PRO A 44 -2.199 9.357 6.720 1.00 1.12 H new ATOM 0 HB2 PRO A 44 -1.932 11.521 8.910 1.00 1.28 H new ATOM 0 HB3 PRO A 44 -0.634 10.808 7.974 1.00 1.28 H new ATOM 0 HG2 PRO A 44 -1.591 13.190 7.283 1.00 1.18 H new ATOM 0 HG3 PRO A 44 -1.169 12.031 6.038 1.00 1.18 H new ATOM 0 HD2 PRO A 44 -3.865 12.947 6.896 1.00 1.03 H new ATOM 0 HD3 PRO A 44 -3.379 12.233 5.371 1.00 1.03 H new ATOM 662 N LEU A 45 -3.673 9.672 9.615 1.00 0.99 N ATOM 663 CA LEU A 45 -4.050 8.912 10.809 1.00 1.03 C ATOM 664 C LEU A 45 -2.835 8.793 11.715 1.00 1.08 C ATOM 665 O LEU A 45 -1.916 8.016 11.449 1.00 1.32 O ATOM 666 CB LEU A 45 -4.603 7.520 10.457 1.00 1.15 C ATOM 667 CG LEU A 45 -4.936 6.630 11.656 1.00 1.53 C ATOM 668 CD1 LEU A 45 -6.005 7.277 12.525 1.00 1.83 C ATOM 669 CD2 LEU A 45 -5.387 5.255 11.188 1.00 2.21 C ATOM 0 H LEU A 45 -4.002 10.637 9.612 1.00 0.99 H new ATOM 0 HA LEU A 45 -4.850 9.445 11.323 1.00 1.03 H new ATOM 0 HB2 LEU A 45 -5.504 7.646 9.857 1.00 1.15 H new ATOM 0 HB3 LEU A 45 -3.873 7.004 9.833 1.00 1.15 H new ATOM 0 HG LEU A 45 -4.034 6.511 12.257 1.00 1.53 H new ATOM 0 HD11 LEU A 45 -6.227 6.628 13.372 1.00 1.83 H new ATOM 0 HD12 LEU A 45 -5.644 8.239 12.890 1.00 1.83 H new ATOM 0 HD13 LEU A 45 -6.910 7.428 11.936 1.00 1.83 H new ATOM 0 HD21 LEU A 45 -5.620 4.634 12.053 1.00 2.21 H new ATOM 0 HD22 LEU A 45 -6.275 5.356 10.564 1.00 2.21 H new ATOM 0 HD23 LEU A 45 -4.589 4.788 10.610 1.00 2.21 H new ATOM 681 N GLY A 46 -2.816 9.610 12.758 1.00 1.09 N ATOM 682 CA GLY A 46 -1.687 9.636 13.664 1.00 1.18 C ATOM 683 C GLY A 46 -0.855 10.873 13.405 1.00 1.11 C ATOM 684 O GLY A 46 -1.285 11.738 12.653 1.00 1.19 O ATOM 0 H GLY A 46 -3.567 10.259 12.994 1.00 1.09 H new ATOM 0 HA2 GLY A 46 -2.036 9.630 14.696 1.00 1.18 H new ATOM 0 HA3 GLY A 46 -1.079 8.742 13.529 1.00 1.18 H new ATOM 688 N PRO A 47 0.324 11.019 14.015 1.00 1.12 N ATOM 689 CA PRO A 47 1.159 12.195 13.821 1.00 1.16 C ATOM 690 C PRO A 47 2.304 11.968 12.835 1.00 1.14 C ATOM 691 O PRO A 47 2.796 10.848 12.687 1.00 1.99 O ATOM 692 CB PRO A 47 1.717 12.366 15.206 1.00 1.36 C ATOM 693 CG PRO A 47 2.015 10.958 15.622 1.00 1.39 C ATOM 694 CD PRO A 47 0.950 10.094 14.974 1.00 1.26 C ATOM 0 HA PRO A 47 0.610 13.042 13.410 1.00 1.16 H new ATOM 0 HB2 PRO A 47 2.614 12.986 15.207 1.00 1.36 H new ATOM 0 HB3 PRO A 47 1.000 12.842 15.875 1.00 1.36 H new ATOM 0 HG2 PRO A 47 3.011 10.658 15.297 1.00 1.39 H new ATOM 0 HG3 PRO A 47 1.990 10.859 16.707 1.00 1.39 H new ATOM 0 HD2 PRO A 47 1.381 9.225 14.477 1.00 1.26 H new ATOM 0 HD3 PRO A 47 0.232 9.720 15.704 1.00 1.26 H new ATOM 702 N GLN A 48 2.731 13.046 12.182 1.00 0.95 N ATOM 703 CA GLN A 48 3.829 12.995 11.217 1.00 0.84 C ATOM 704 C GLN A 48 3.992 14.342 10.523 1.00 0.90 C ATOM 705 O GLN A 48 5.095 14.887 10.447 1.00 1.04 O ATOM 706 CB GLN A 48 3.609 11.887 10.174 1.00 0.83 C ATOM 707 CG GLN A 48 2.341 12.026 9.342 1.00 1.00 C ATOM 708 CD GLN A 48 1.087 12.158 10.181 1.00 1.29 C ATOM 709 OE1 GLN A 48 0.568 13.255 10.365 1.00 2.23 O ATOM 710 NE2 GLN A 48 0.619 11.046 10.736 1.00 1.15 N ATOM 0 H GLN A 48 2.329 13.975 12.305 1.00 0.95 H new ATOM 0 HA GLN A 48 4.742 12.765 11.767 1.00 0.84 H new ATOM 0 HB2 GLN A 48 4.466 11.867 9.501 1.00 0.83 H new ATOM 0 HB3 GLN A 48 3.585 10.926 10.687 1.00 0.83 H new ATOM 0 HG2 GLN A 48 2.432 12.900 8.697 1.00 1.00 H new ATOM 0 HG3 GLN A 48 2.245 11.157 8.691 1.00 1.00 H new ATOM 0 HE21 GLN A 48 1.080 10.154 10.557 1.00 1.15 H new ATOM 0 HE22 GLN A 48 -0.201 11.084 11.341 1.00 1.15 H new ATOM 719 N ASP A 49 2.879 14.871 10.030 1.00 0.99 N ATOM 720 CA ASP A 49 2.852 16.153 9.341 1.00 1.16 C ATOM 721 C ASP A 49 1.459 16.412 8.802 1.00 1.20 C ATOM 722 O ASP A 49 0.901 17.495 8.979 1.00 1.33 O ATOM 723 CB ASP A 49 3.865 16.177 8.194 1.00 1.28 C ATOM 724 CG ASP A 49 3.931 17.529 7.510 1.00 1.51 C ATOM 725 OD1 ASP A 49 4.244 18.526 8.194 1.00 1.81 O ATOM 726 OD2 ASP A 49 3.672 17.589 6.290 1.00 1.70 O ATOM 0 H ASP A 49 1.967 14.420 10.098 1.00 0.99 H new ATOM 0 HA ASP A 49 3.120 16.934 10.052 1.00 1.16 H new ATOM 0 HB2 ASP A 49 4.852 15.919 8.579 1.00 1.28 H new ATOM 0 HB3 ASP A 49 3.599 15.415 7.462 1.00 1.28 H new ATOM 731 N GLN A 50 0.914 15.392 8.146 1.00 1.19 N ATOM 732 CA GLN A 50 -0.418 15.455 7.560 1.00 1.31 C ATOM 733 C GLN A 50 -0.697 16.829 6.961 1.00 1.33 C ATOM 734 O GLN A 50 -1.476 17.617 7.495 1.00 1.40 O ATOM 735 CB GLN A 50 -1.493 15.043 8.579 1.00 1.42 C ATOM 736 CG GLN A 50 -1.265 15.549 9.993 1.00 1.67 C ATOM 737 CD GLN A 50 -2.069 14.776 11.022 1.00 1.43 C ATOM 738 OE1 GLN A 50 -2.805 15.360 11.818 1.00 2.03 O ATOM 739 NE2 GLN A 50 -1.916 13.453 11.024 1.00 1.24 N ATOM 0 H GLN A 50 1.385 14.498 8.006 1.00 1.19 H new ATOM 0 HA GLN A 50 -0.457 14.736 6.741 1.00 1.31 H new ATOM 0 HB2 GLN A 50 -2.460 15.406 8.231 1.00 1.42 H new ATOM 0 HB3 GLN A 50 -1.551 13.955 8.604 1.00 1.42 H new ATOM 0 HG2 GLN A 50 -0.205 15.476 10.235 1.00 1.67 H new ATOM 0 HG3 GLN A 50 -1.532 16.604 10.046 1.00 1.67 H new ATOM 0 HE21 GLN A 50 -1.296 13.010 10.346 1.00 1.24 H new ATOM 0 HE22 GLN A 50 -2.419 12.882 11.703 1.00 1.24 H new ATOM 748 N PRO A 51 -0.029 17.124 5.832 1.00 1.35 N ATOM 749 CA PRO A 51 -0.162 18.390 5.118 1.00 1.46 C ATOM 750 C PRO A 51 -1.287 18.368 4.081 1.00 1.54 C ATOM 751 O PRO A 51 -2.102 19.289 4.016 1.00 2.26 O ATOM 752 CB PRO A 51 1.195 18.515 4.431 1.00 1.52 C ATOM 753 CG PRO A 51 1.597 17.106 4.130 1.00 1.53 C ATOM 754 CD PRO A 51 0.937 16.228 5.168 1.00 1.37 C ATOM 0 HA PRO A 51 -0.416 19.218 5.779 1.00 1.46 H new ATOM 0 HB2 PRO A 51 1.125 19.110 3.521 1.00 1.52 H new ATOM 0 HB3 PRO A 51 1.923 19.005 5.077 1.00 1.52 H new ATOM 0 HG2 PRO A 51 1.281 16.821 3.126 1.00 1.53 H new ATOM 0 HG3 PRO A 51 2.681 16.998 4.166 1.00 1.53 H new ATOM 0 HD2 PRO A 51 0.439 15.374 4.710 1.00 1.37 H new ATOM 0 HD3 PRO A 51 1.665 15.831 5.876 1.00 1.37 H new ATOM 762 N ASP A 52 -1.323 17.307 3.276 1.00 1.24 N ATOM 763 CA ASP A 52 -2.341 17.154 2.241 1.00 1.23 C ATOM 764 C ASP A 52 -3.188 15.933 2.501 1.00 0.91 C ATOM 765 O ASP A 52 -4.400 15.967 2.308 1.00 1.55 O ATOM 766 CB ASP A 52 -1.710 16.991 0.865 1.00 1.67 C ATOM 767 CG ASP A 52 -0.779 18.134 0.515 1.00 2.16 C ATOM 768 OD1 ASP A 52 -1.257 19.286 0.432 1.00 2.69 O ATOM 769 OD2 ASP A 52 0.431 17.881 0.332 1.00 2.56 O ATOM 0 H ASP A 52 -0.655 16.538 3.322 1.00 1.24 H new ATOM 0 HA ASP A 52 -2.953 18.056 2.266 1.00 1.23 H new ATOM 0 HB2 ASP A 52 -1.157 16.053 0.831 1.00 1.67 H new ATOM 0 HB3 ASP A 52 -2.497 16.924 0.114 1.00 1.67 H new ATOM 774 N TYR A 53 -2.521 14.847 2.913 1.00 0.76 N ATOM 775 CA TYR A 53 -3.175 13.578 3.179 1.00 1.08 C ATOM 776 C TYR A 53 -3.300 12.806 1.866 1.00 0.87 C ATOM 777 O TYR A 53 -4.246 13.034 1.139 1.00 0.98 O ATOM 778 CB TYR A 53 -4.599 13.776 3.759 1.00 1.83 C ATOM 779 CG TYR A 53 -4.728 14.633 5.013 1.00 2.62 C ATOM 780 CD1 TYR A 53 -3.738 15.522 5.415 1.00 3.32 C ATOM 781 CD2 TYR A 53 -5.878 14.551 5.792 1.00 3.26 C ATOM 782 CE1 TYR A 53 -3.889 16.295 6.548 1.00 4.46 C ATOM 783 CE2 TYR A 53 -6.033 15.322 6.928 1.00 4.34 C ATOM 784 CZ TYR A 53 -5.039 16.192 7.300 1.00 4.90 C ATOM 785 OH TYR A 53 -5.188 16.961 8.431 1.00 6.13 O ATOM 0 H TYR A 53 -1.513 14.833 3.069 1.00 0.76 H new ATOM 0 HA TYR A 53 -2.574 13.036 3.909 1.00 1.08 H new ATOM 0 HB2 TYR A 53 -5.222 14.219 2.982 1.00 1.83 H new ATOM 0 HB3 TYR A 53 -5.014 12.792 3.978 1.00 1.83 H new ATOM 0 HD1 TYR A 53 -2.834 15.609 4.830 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -6.665 13.871 5.503 1.00 3.26 H new ATOM 0 HE1 TYR A 53 -3.108 16.979 6.845 1.00 4.46 H new ATOM 0 HE2 TYR A 53 -6.932 15.240 7.520 1.00 4.34 H new ATOM 0 HH TYR A 53 -6.055 16.769 8.845 1.00 6.13 H new ATOM 795 N LEU A 54 -2.357 11.914 1.533 1.00 0.72 N ATOM 796 CA LEU A 54 -2.471 11.171 0.269 1.00 0.59 C ATOM 797 C LEU A 54 -2.026 9.716 0.418 1.00 0.61 C ATOM 798 O LEU A 54 -1.084 9.408 1.149 1.00 0.88 O ATOM 799 CB LEU A 54 -1.682 11.868 -0.854 1.00 0.60 C ATOM 800 CG LEU A 54 -1.789 11.237 -2.250 1.00 0.54 C ATOM 801 CD1 LEU A 54 -1.399 12.249 -3.314 1.00 0.92 C ATOM 802 CD2 LEU A 54 -0.902 10.005 -2.362 1.00 1.10 C ATOM 0 H LEU A 54 -1.536 11.694 2.096 1.00 0.72 H new ATOM 0 HA LEU A 54 -3.526 11.163 -0.003 1.00 0.59 H new ATOM 0 HB2 LEU A 54 -2.020 12.902 -0.919 1.00 0.60 H new ATOM 0 HB3 LEU A 54 -0.630 11.893 -0.569 1.00 0.60 H new ATOM 0 HG LEU A 54 -2.824 10.932 -2.404 1.00 0.54 H new ATOM 0 HD11 LEU A 54 -1.479 11.790 -4.299 1.00 0.92 H new ATOM 0 HD12 LEU A 54 -2.066 13.110 -3.259 1.00 0.92 H new ATOM 0 HD13 LEU A 54 -0.372 12.575 -3.148 1.00 0.92 H new ATOM 0 HD21 LEU A 54 -0.997 9.578 -3.360 1.00 1.10 H new ATOM 0 HD22 LEU A 54 0.136 10.287 -2.185 1.00 1.10 H new ATOM 0 HD23 LEU A 54 -1.209 9.267 -1.621 1.00 1.10 H new ATOM 814 N ASN A 55 -2.720 8.832 -0.299 1.00 0.50 N ATOM 815 CA ASN A 55 -2.427 7.401 -0.287 1.00 0.58 C ATOM 816 C ASN A 55 -3.063 6.725 -1.499 1.00 0.57 C ATOM 817 O ASN A 55 -4.175 7.070 -1.896 1.00 0.70 O ATOM 818 CB ASN A 55 -2.945 6.757 1.002 1.00 0.82 C ATOM 819 CG ASN A 55 -2.660 5.269 1.074 1.00 1.80 C ATOM 820 OD1 ASN A 55 -3.110 4.493 0.229 1.00 2.63 O ATOM 821 ND2 ASN A 55 -1.909 4.861 2.090 1.00 2.49 N ATOM 0 H ASN A 55 -3.500 9.089 -0.904 1.00 0.50 H new ATOM 0 HA ASN A 55 -1.346 7.269 -0.332 1.00 0.58 H new ATOM 0 HB2 ASN A 55 -2.487 7.251 1.859 1.00 0.82 H new ATOM 0 HB3 ASN A 55 -4.020 6.920 1.077 1.00 0.82 H new ATOM 0 HD21 ASN A 55 -1.684 3.871 2.193 1.00 2.49 H new ATOM 0 HD22 ASN A 55 -1.557 5.537 2.768 1.00 2.49 H new ATOM 828 N ALA A 56 -2.354 5.764 -2.089 1.00 0.51 N ATOM 829 CA ALA A 56 -2.866 5.056 -3.258 1.00 0.57 C ATOM 830 C ALA A 56 -2.244 3.670 -3.396 1.00 0.54 C ATOM 831 O ALA A 56 -1.139 3.421 -2.910 1.00 0.75 O ATOM 832 CB ALA A 56 -2.614 5.870 -4.517 1.00 0.61 C ATOM 0 H ALA A 56 -1.431 5.460 -1.779 1.00 0.51 H new ATOM 0 HA ALA A 56 -3.940 4.926 -3.121 1.00 0.57 H new ATOM 0 HB1 ALA A 56 -3.000 5.331 -5.382 1.00 0.61 H new ATOM 0 HB2 ALA A 56 -3.118 6.833 -4.435 1.00 0.61 H new ATOM 0 HB3 ALA A 56 -1.543 6.030 -4.638 1.00 0.61 H new ATOM 838 N ALA A 57 -2.964 2.770 -4.061 1.00 0.31 N ATOM 839 CA ALA A 57 -2.490 1.404 -4.270 1.00 0.29 C ATOM 840 C ALA A 57 -1.992 1.203 -5.699 1.00 0.29 C ATOM 841 O ALA A 57 -2.129 2.089 -6.540 1.00 0.39 O ATOM 842 CB ALA A 57 -3.597 0.416 -3.951 1.00 0.33 C ATOM 0 H ALA A 57 -3.880 2.963 -4.465 1.00 0.31 H new ATOM 0 HA ALA A 57 -1.650 1.228 -3.597 1.00 0.29 H new ATOM 0 HB1 ALA A 57 -3.235 -0.600 -4.110 1.00 0.33 H new ATOM 0 HB2 ALA A 57 -3.902 0.534 -2.911 1.00 0.33 H new ATOM 0 HB3 ALA A 57 -4.450 0.603 -4.603 1.00 0.33 H new ATOM 848 N VAL A 58 -1.411 0.035 -5.972 1.00 0.26 N ATOM 849 CA VAL A 58 -0.900 -0.264 -7.308 1.00 0.27 C ATOM 850 C VAL A 58 -0.602 -1.748 -7.479 1.00 0.27 C ATOM 851 O VAL A 58 0.143 -2.339 -6.699 1.00 0.28 O ATOM 852 CB VAL A 58 0.368 0.552 -7.605 1.00 0.31 C ATOM 853 CG1 VAL A 58 1.436 0.301 -6.553 1.00 1.20 C ATOM 854 CG2 VAL A 58 0.893 0.244 -8.999 1.00 0.98 C ATOM 0 H VAL A 58 -1.283 -0.714 -5.291 1.00 0.26 H new ATOM 0 HA VAL A 58 -1.681 0.014 -8.016 1.00 0.27 H new ATOM 0 HB VAL A 58 0.106 1.609 -7.568 1.00 0.31 H new ATOM 0 HG11 VAL A 58 2.323 0.890 -6.787 1.00 1.20 H new ATOM 0 HG12 VAL A 58 1.056 0.590 -5.573 1.00 1.20 H new ATOM 0 HG13 VAL A 58 1.696 -0.757 -6.544 1.00 1.20 H new ATOM 0 HG21 VAL A 58 1.791 0.833 -9.188 1.00 0.98 H new ATOM 0 HG22 VAL A 58 1.133 -0.817 -9.071 1.00 0.98 H new ATOM 0 HG23 VAL A 58 0.132 0.495 -9.738 1.00 0.98 H new ATOM 864 N ALA A 59 -1.208 -2.356 -8.502 1.00 0.28 N ATOM 865 CA ALA A 59 -1.019 -3.775 -8.763 1.00 0.29 C ATOM 866 C ALA A 59 0.312 -4.050 -9.455 1.00 0.31 C ATOM 867 O ALA A 59 0.557 -3.582 -10.567 1.00 0.50 O ATOM 868 CB ALA A 59 -2.164 -4.304 -9.608 1.00 0.31 C ATOM 0 H ALA A 59 -1.831 -1.885 -9.158 1.00 0.28 H new ATOM 0 HA ALA A 59 -1.006 -4.291 -7.803 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -2.015 -5.367 -9.799 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -3.105 -4.159 -9.077 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -2.196 -3.766 -10.556 1.00 0.31 H new ATOM 874 N LEU A 60 1.158 -4.827 -8.788 1.00 0.28 N ATOM 875 CA LEU A 60 2.463 -5.190 -9.327 1.00 0.28 C ATOM 876 C LEU A 60 2.506 -6.667 -9.678 1.00 0.30 C ATOM 877 O LEU A 60 2.526 -7.518 -8.792 1.00 0.33 O ATOM 878 CB LEU A 60 3.569 -4.881 -8.312 1.00 0.29 C ATOM 879 CG LEU A 60 4.960 -5.425 -8.667 1.00 0.29 C ATOM 880 CD1 LEU A 60 5.517 -4.723 -9.892 1.00 0.35 C ATOM 881 CD2 LEU A 60 5.906 -5.274 -7.487 1.00 0.31 C ATOM 0 H LEU A 60 0.961 -5.220 -7.867 1.00 0.28 H new ATOM 0 HA LEU A 60 2.627 -4.602 -10.230 1.00 0.28 H new ATOM 0 HB2 LEU A 60 3.640 -3.800 -8.195 1.00 0.29 H new ATOM 0 HB3 LEU A 60 3.275 -5.288 -7.344 1.00 0.29 H new ATOM 0 HG LEU A 60 4.864 -6.486 -8.899 1.00 0.29 H new ATOM 0 HD11 LEU A 60 6.503 -5.125 -10.125 1.00 0.35 H new ATOM 0 HD12 LEU A 60 4.850 -4.885 -10.739 1.00 0.35 H new ATOM 0 HD13 LEU A 60 5.598 -3.654 -9.693 1.00 0.35 H new ATOM 0 HD21 LEU A 60 6.888 -5.664 -7.755 1.00 0.31 H new ATOM 0 HD22 LEU A 60 5.994 -4.220 -7.224 1.00 0.31 H new ATOM 0 HD23 LEU A 60 5.515 -5.829 -6.634 1.00 0.31 H new ATOM 893 N GLU A 61 2.548 -6.977 -10.964 1.00 0.32 N ATOM 894 CA GLU A 61 2.617 -8.367 -11.380 1.00 0.36 C ATOM 895 C GLU A 61 4.016 -8.869 -11.086 1.00 0.34 C ATOM 896 O GLU A 61 4.925 -8.747 -11.907 1.00 0.36 O ATOM 897 CB GLU A 61 2.299 -8.494 -12.871 1.00 0.43 C ATOM 898 CG GLU A 61 1.912 -9.897 -13.321 1.00 0.52 C ATOM 899 CD GLU A 61 3.034 -10.912 -13.186 1.00 1.37 C ATOM 900 OE1 GLU A 61 3.369 -11.284 -12.042 1.00 2.11 O ATOM 901 OE2 GLU A 61 3.576 -11.335 -14.227 1.00 1.88 O ATOM 0 H GLU A 61 2.536 -6.298 -11.725 1.00 0.32 H new ATOM 0 HA GLU A 61 1.883 -8.963 -10.837 1.00 0.36 H new ATOM 0 HB2 GLU A 61 1.485 -7.811 -13.115 1.00 0.43 H new ATOM 0 HB3 GLU A 61 3.168 -8.170 -13.443 1.00 0.43 H new ATOM 0 HG2 GLU A 61 1.057 -10.234 -12.735 1.00 0.52 H new ATOM 0 HG3 GLU A 61 1.591 -9.860 -14.362 1.00 0.52 H new ATOM 908 N THR A 62 4.180 -9.407 -9.887 1.00 0.34 N ATOM 909 CA THR A 62 5.468 -9.903 -9.440 1.00 0.35 C ATOM 910 C THR A 62 5.407 -11.379 -9.084 1.00 0.39 C ATOM 911 O THR A 62 4.475 -11.837 -8.424 1.00 0.61 O ATOM 912 CB THR A 62 5.934 -9.093 -8.226 1.00 0.40 C ATOM 913 OG1 THR A 62 7.077 -9.679 -7.633 1.00 0.43 O ATOM 914 CG2 THR A 62 4.876 -8.960 -7.152 1.00 0.52 C ATOM 0 H THR A 62 3.430 -9.511 -9.204 1.00 0.34 H new ATOM 0 HA THR A 62 6.179 -9.788 -10.259 1.00 0.35 H new ATOM 0 HB THR A 62 6.161 -8.101 -8.616 1.00 0.40 H new ATOM 0 HG1 THR A 62 7.852 -9.549 -8.218 1.00 0.43 H new ATOM 0 HG21 THR A 62 5.272 -8.375 -6.322 1.00 0.52 H new ATOM 0 HG22 THR A 62 4.000 -8.458 -7.564 1.00 0.52 H new ATOM 0 HG23 THR A 62 4.593 -9.950 -6.796 1.00 0.52 H new ATOM 922 N SER A 63 6.430 -12.110 -9.501 1.00 0.37 N ATOM 923 CA SER A 63 6.527 -13.528 -9.206 1.00 0.48 C ATOM 924 C SER A 63 7.536 -13.710 -8.091 1.00 0.42 C ATOM 925 O SER A 63 7.887 -14.831 -7.712 1.00 0.45 O ATOM 926 CB SER A 63 6.954 -14.313 -10.448 1.00 0.69 C ATOM 927 OG SER A 63 6.016 -14.158 -11.497 1.00 1.22 O ATOM 0 H SER A 63 7.208 -11.740 -10.048 1.00 0.37 H new ATOM 0 HA SER A 63 5.554 -13.909 -8.897 1.00 0.48 H new ATOM 0 HB2 SER A 63 7.934 -13.970 -10.779 1.00 0.69 H new ATOM 0 HB3 SER A 63 7.053 -15.369 -10.198 1.00 0.69 H new ATOM 0 HG SER A 63 6.313 -14.668 -12.279 1.00 1.22 H new ATOM 933 N LEU A 64 8.000 -12.577 -7.578 1.00 0.37 N ATOM 934 CA LEU A 64 8.981 -12.550 -6.507 1.00 0.35 C ATOM 935 C LEU A 64 8.434 -13.234 -5.254 1.00 0.50 C ATOM 936 O LEU A 64 7.227 -13.219 -5.006 1.00 0.82 O ATOM 937 CB LEU A 64 9.356 -11.092 -6.217 1.00 0.49 C ATOM 938 CG LEU A 64 10.666 -10.867 -5.464 1.00 0.48 C ATOM 939 CD1 LEU A 64 10.460 -11.057 -3.973 1.00 0.90 C ATOM 940 CD2 LEU A 64 11.754 -11.804 -5.972 1.00 0.84 C ATOM 0 H LEU A 64 7.705 -11.653 -7.894 1.00 0.37 H new ATOM 0 HA LEU A 64 9.872 -13.098 -6.814 1.00 0.35 H new ATOM 0 HB2 LEU A 64 9.410 -10.558 -7.165 1.00 0.49 H new ATOM 0 HB3 LEU A 64 8.549 -10.639 -5.642 1.00 0.49 H new ATOM 0 HG LEU A 64 10.988 -9.842 -5.645 1.00 0.48 H new ATOM 0 HD11 LEU A 64 11.403 -10.893 -3.452 1.00 0.90 H new ATOM 0 HD12 LEU A 64 9.718 -10.343 -3.614 1.00 0.90 H new ATOM 0 HD13 LEU A 64 10.110 -12.071 -3.780 1.00 0.90 H new ATOM 0 HD21 LEU A 64 12.676 -11.624 -5.420 1.00 0.84 H new ATOM 0 HD22 LEU A 64 11.441 -12.838 -5.827 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.925 -11.622 -7.033 1.00 0.84 H new ATOM 952 N ALA A 65 9.328 -13.840 -4.472 1.00 0.58 N ATOM 953 CA ALA A 65 8.936 -14.536 -3.249 1.00 0.89 C ATOM 954 C ALA A 65 8.062 -13.652 -2.364 1.00 0.60 C ATOM 955 O ALA A 65 8.417 -12.511 -2.074 1.00 0.59 O ATOM 956 CB ALA A 65 10.169 -14.995 -2.485 1.00 1.41 C ATOM 0 H ALA A 65 10.329 -13.862 -4.665 1.00 0.58 H new ATOM 0 HA ALA A 65 8.350 -15.410 -3.533 1.00 0.89 H new ATOM 0 HB1 ALA A 65 9.862 -15.512 -1.576 1.00 1.41 H new ATOM 0 HB2 ALA A 65 10.752 -15.673 -3.109 1.00 1.41 H new ATOM 0 HB3 ALA A 65 10.777 -14.130 -2.222 1.00 1.41 H new ATOM 962 N PRO A 66 6.898 -14.168 -1.925 1.00 0.50 N ATOM 963 CA PRO A 66 5.974 -13.414 -1.073 1.00 0.40 C ATOM 964 C PRO A 66 6.645 -12.832 0.160 1.00 0.41 C ATOM 965 O PRO A 66 6.117 -11.915 0.783 1.00 0.62 O ATOM 966 CB PRO A 66 4.939 -14.450 -0.641 1.00 0.47 C ATOM 967 CG PRO A 66 5.006 -15.541 -1.652 1.00 0.75 C ATOM 968 CD PRO A 66 6.395 -15.520 -2.236 1.00 0.64 C ATOM 0 HA PRO A 66 5.560 -12.562 -1.612 1.00 0.40 H new ATOM 0 HB2 PRO A 66 5.159 -14.829 0.357 1.00 0.47 H new ATOM 0 HB3 PRO A 66 3.941 -14.013 -0.604 1.00 0.47 H new ATOM 0 HG2 PRO A 66 4.797 -16.506 -1.191 1.00 0.75 H new ATOM 0 HG3 PRO A 66 4.258 -15.391 -2.431 1.00 0.75 H new ATOM 0 HD2 PRO A 66 7.025 -16.291 -1.793 1.00 0.64 H new ATOM 0 HD3 PRO A 66 6.378 -15.701 -3.311 1.00 0.64 H new ATOM 976 N GLU A 67 7.798 -13.379 0.519 1.00 0.40 N ATOM 977 CA GLU A 67 8.523 -12.924 1.698 1.00 0.44 C ATOM 978 C GLU A 67 9.526 -11.833 1.362 1.00 0.37 C ATOM 979 O GLU A 67 9.772 -10.941 2.175 1.00 0.40 O ATOM 980 CB GLU A 67 9.221 -14.103 2.375 1.00 0.57 C ATOM 981 CG GLU A 67 9.727 -15.141 1.394 1.00 0.65 C ATOM 982 CD GLU A 67 10.524 -16.243 2.064 1.00 0.80 C ATOM 983 OE1 GLU A 67 11.558 -15.933 2.690 1.00 1.28 O ATOM 984 OE2 GLU A 67 10.114 -17.420 1.961 1.00 1.19 O ATOM 0 H GLU A 67 8.252 -14.138 0.011 1.00 0.40 H new ATOM 0 HA GLU A 67 7.796 -12.495 2.387 1.00 0.44 H new ATOM 0 HB2 GLU A 67 10.059 -13.731 2.965 1.00 0.57 H new ATOM 0 HB3 GLU A 67 8.528 -14.577 3.070 1.00 0.57 H new ATOM 0 HG2 GLU A 67 8.880 -15.580 0.868 1.00 0.65 H new ATOM 0 HG3 GLU A 67 10.350 -14.653 0.644 1.00 0.65 H new ATOM 991 N GLU A 68 10.094 -11.889 0.167 1.00 0.34 N ATOM 992 CA GLU A 68 11.052 -10.882 -0.247 1.00 0.31 C ATOM 993 C GLU A 68 10.339 -9.704 -0.887 1.00 0.29 C ATOM 994 O GLU A 68 10.884 -8.611 -0.950 1.00 0.30 O ATOM 995 CB GLU A 68 12.098 -11.457 -1.201 1.00 0.37 C ATOM 996 CG GLU A 68 13.114 -10.421 -1.660 1.00 0.34 C ATOM 997 CD GLU A 68 14.177 -11.007 -2.568 1.00 0.53 C ATOM 998 OE1 GLU A 68 13.817 -11.537 -3.639 1.00 1.21 O ATOM 999 OE2 GLU A 68 15.370 -10.934 -2.206 1.00 1.02 O ATOM 0 H GLU A 68 9.909 -12.615 -0.526 1.00 0.34 H new ATOM 0 HA GLU A 68 11.575 -10.536 0.645 1.00 0.31 H new ATOM 0 HB2 GLU A 68 12.620 -12.277 -0.708 1.00 0.37 H new ATOM 0 HB3 GLU A 68 11.596 -11.877 -2.072 1.00 0.37 H new ATOM 0 HG2 GLU A 68 12.596 -9.618 -2.185 1.00 0.34 H new ATOM 0 HG3 GLU A 68 13.592 -9.976 -0.788 1.00 0.34 H new ATOM 1006 N LEU A 69 9.123 -9.937 -1.374 1.00 0.32 N ATOM 1007 CA LEU A 69 8.348 -8.885 -2.016 1.00 0.36 C ATOM 1008 C LEU A 69 8.103 -7.727 -1.056 1.00 0.35 C ATOM 1009 O LEU A 69 8.583 -6.621 -1.288 1.00 0.41 O ATOM 1010 CB LEU A 69 7.038 -9.452 -2.556 1.00 0.42 C ATOM 1011 CG LEU A 69 5.961 -8.428 -2.917 1.00 0.54 C ATOM 1012 CD1 LEU A 69 6.487 -7.391 -3.894 1.00 1.08 C ATOM 1013 CD2 LEU A 69 4.770 -9.139 -3.516 1.00 1.51 C ATOM 0 H LEU A 69 8.656 -10.843 -1.335 1.00 0.32 H new ATOM 0 HA LEU A 69 8.919 -8.493 -2.857 1.00 0.36 H new ATOM 0 HB2 LEU A 69 7.260 -10.044 -3.444 1.00 0.42 H new ATOM 0 HB3 LEU A 69 6.627 -10.135 -1.812 1.00 0.42 H new ATOM 0 HG LEU A 69 5.664 -7.909 -2.006 1.00 0.54 H new ATOM 0 HD11 LEU A 69 5.696 -6.679 -4.129 1.00 1.08 H new ATOM 0 HD12 LEU A 69 7.329 -6.863 -3.446 1.00 1.08 H new ATOM 0 HD13 LEU A 69 6.814 -7.886 -4.809 1.00 1.08 H new ATOM 0 HD21 LEU A 69 4.002 -8.409 -3.773 1.00 1.51 H new ATOM 0 HD22 LEU A 69 5.079 -9.673 -4.415 1.00 1.51 H new ATOM 0 HD23 LEU A 69 4.368 -9.849 -2.793 1.00 1.51 H new ATOM 1025 N LEU A 70 7.388 -7.980 0.033 1.00 0.33 N ATOM 1026 CA LEU A 70 7.146 -6.928 1.012 1.00 0.39 C ATOM 1027 C LEU A 70 8.481 -6.432 1.544 1.00 0.42 C ATOM 1028 O LEU A 70 8.646 -5.255 1.861 1.00 0.61 O ATOM 1029 CB LEU A 70 6.269 -7.433 2.166 1.00 0.44 C ATOM 1030 CG LEU A 70 6.113 -6.465 3.347 1.00 0.58 C ATOM 1031 CD1 LEU A 70 4.822 -6.744 4.098 1.00 1.16 C ATOM 1032 CD2 LEU A 70 7.297 -6.575 4.297 1.00 1.01 C ATOM 0 H LEU A 70 6.973 -8.884 0.258 1.00 0.33 H new ATOM 0 HA LEU A 70 6.613 -6.111 0.527 1.00 0.39 H new ATOM 0 HB2 LEU A 70 5.278 -7.663 1.773 1.00 0.44 H new ATOM 0 HB3 LEU A 70 6.689 -8.368 2.537 1.00 0.44 H new ATOM 0 HG LEU A 70 6.079 -5.451 2.948 1.00 0.58 H new ATOM 0 HD11 LEU A 70 4.728 -6.048 4.932 1.00 1.16 H new ATOM 0 HD12 LEU A 70 3.975 -6.619 3.424 1.00 1.16 H new ATOM 0 HD13 LEU A 70 4.836 -7.766 4.478 1.00 1.16 H new ATOM 0 HD21 LEU A 70 7.164 -5.880 5.126 1.00 1.01 H new ATOM 0 HD22 LEU A 70 7.360 -7.592 4.683 1.00 1.01 H new ATOM 0 HD23 LEU A 70 8.216 -6.332 3.763 1.00 1.01 H new ATOM 1044 N ASN A 71 9.429 -7.355 1.632 1.00 0.31 N ATOM 1045 CA ASN A 71 10.765 -7.046 2.121 1.00 0.35 C ATOM 1046 C ASN A 71 11.533 -6.206 1.097 1.00 0.38 C ATOM 1047 O ASN A 71 12.452 -5.470 1.453 1.00 0.45 O ATOM 1048 CB ASN A 71 11.527 -8.342 2.412 1.00 0.36 C ATOM 1049 CG ASN A 71 12.863 -8.120 3.108 1.00 1.06 C ATOM 1050 OD1 ASN A 71 13.099 -6.909 3.601 1.00 1.87 O flip ATOM 1051 ND2 ASN A 71 13.666 -9.045 3.223 1.00 1.53 N flip ATOM 0 H ASN A 71 9.295 -8.331 1.369 1.00 0.31 H new ATOM 0 HA ASN A 71 10.673 -6.470 3.042 1.00 0.35 H new ATOM 0 HB2 ASN A 71 10.906 -8.987 3.033 1.00 0.36 H new ATOM 0 HB3 ASN A 71 11.699 -8.871 1.475 1.00 0.36 H new ATOM 0 HD21 ASN A 71 13.448 -9.961 2.831 1.00 1.53 H new ATOM 0 HD22 ASN A 71 14.549 -8.896 3.711 1.00 1.53 H new ATOM 1058 N HIS A 72 11.152 -6.327 -0.176 1.00 0.35 N ATOM 1059 CA HIS A 72 11.810 -5.585 -1.238 1.00 0.42 C ATOM 1060 C HIS A 72 11.218 -4.186 -1.336 1.00 0.41 C ATOM 1061 O HIS A 72 11.937 -3.210 -1.542 1.00 0.43 O ATOM 1062 CB HIS A 72 11.696 -6.336 -2.578 1.00 0.51 C ATOM 1063 CG HIS A 72 10.566 -5.908 -3.459 1.00 1.07 C ATOM 1064 ND1 HIS A 72 10.339 -4.599 -3.833 1.00 2.09 N ATOM 1065 CD2 HIS A 72 9.605 -6.640 -4.061 1.00 1.39 C ATOM 1066 CE1 HIS A 72 9.283 -4.545 -4.622 1.00 2.99 C ATOM 1067 NE2 HIS A 72 8.820 -5.771 -4.778 1.00 2.56 N ATOM 0 H HIS A 72 10.393 -6.932 -0.490 1.00 0.35 H new ATOM 0 HA HIS A 72 12.870 -5.493 -1.002 1.00 0.42 H new ATOM 0 HB2 HIS A 72 12.630 -6.210 -3.126 1.00 0.51 H new ATOM 0 HB3 HIS A 72 11.589 -7.401 -2.370 1.00 0.51 H new ATOM 0 HD2 HIS A 72 9.477 -7.710 -3.992 1.00 1.39 H new ATOM 0 HE1 HIS A 72 8.869 -3.651 -5.064 1.00 2.99 H new ATOM 0 HE2 HIS A 72 8.010 -6.031 -5.340 1.00 2.56 H new ATOM 1076 N THR A 73 9.900 -4.092 -1.171 1.00 0.45 N ATOM 1077 CA THR A 73 9.224 -2.807 -1.223 1.00 0.49 C ATOM 1078 C THR A 73 9.793 -1.893 -0.147 1.00 0.46 C ATOM 1079 O THR A 73 9.927 -0.686 -0.347 1.00 0.47 O ATOM 1080 CB THR A 73 7.715 -2.977 -1.028 1.00 0.58 C ATOM 1081 OG1 THR A 73 7.435 -3.554 0.236 1.00 0.62 O ATOM 1082 CG2 THR A 73 7.070 -3.849 -2.083 1.00 0.66 C ATOM 0 H THR A 73 9.286 -4.888 -1.001 1.00 0.45 H new ATOM 0 HA THR A 73 9.389 -2.362 -2.204 1.00 0.49 H new ATOM 0 HB THR A 73 7.298 -1.973 -1.105 1.00 0.58 H new ATOM 0 HG1 THR A 73 8.167 -4.154 0.491 1.00 0.62 H new ATOM 0 HG21 THR A 73 6.001 -3.928 -1.886 1.00 0.66 H new ATOM 0 HG22 THR A 73 7.226 -3.406 -3.067 1.00 0.66 H new ATOM 0 HG23 THR A 73 7.518 -4.842 -2.058 1.00 0.66 H new ATOM 1090 N GLN A 74 10.142 -2.489 0.991 1.00 0.49 N ATOM 1091 CA GLN A 74 10.716 -1.741 2.101 1.00 0.49 C ATOM 1092 C GLN A 74 11.962 -0.989 1.656 1.00 0.43 C ATOM 1093 O GLN A 74 12.295 0.058 2.212 1.00 0.45 O ATOM 1094 CB GLN A 74 11.046 -2.671 3.268 1.00 0.60 C ATOM 1095 CG GLN A 74 9.817 -3.283 3.925 1.00 0.65 C ATOM 1096 CD GLN A 74 8.785 -2.241 4.329 1.00 0.87 C ATOM 1097 OE1 GLN A 74 8.196 -1.573 3.479 1.00 1.66 O ATOM 1098 NE2 GLN A 74 8.565 -2.096 5.629 1.00 1.05 N ATOM 0 H GLN A 74 10.036 -3.488 1.166 1.00 0.49 H new ATOM 0 HA GLN A 74 9.976 -1.015 2.437 1.00 0.49 H new ATOM 0 HB2 GLN A 74 11.694 -3.472 2.912 1.00 0.60 H new ATOM 0 HB3 GLN A 74 11.609 -2.115 4.017 1.00 0.60 H new ATOM 0 HG2 GLN A 74 9.359 -3.994 3.237 1.00 0.65 H new ATOM 0 HG3 GLN A 74 10.124 -3.845 4.807 1.00 0.65 H new ATOM 0 HE21 GLN A 74 9.075 -2.671 6.300 1.00 1.05 H new ATOM 0 HE22 GLN A 74 7.886 -1.410 5.958 1.00 1.05 H new ATOM 1107 N ARG A 75 12.639 -1.513 0.637 1.00 0.44 N ATOM 1108 CA ARG A 75 13.831 -0.862 0.115 1.00 0.46 C ATOM 1109 C ARG A 75 13.479 0.517 -0.408 1.00 0.43 C ATOM 1110 O ARG A 75 14.097 1.502 -0.023 1.00 0.52 O ATOM 1111 CB ARG A 75 14.477 -1.693 -0.997 1.00 0.59 C ATOM 1112 CG ARG A 75 15.427 -2.761 -0.484 1.00 1.17 C ATOM 1113 CD ARG A 75 16.643 -2.151 0.197 1.00 1.93 C ATOM 1114 NE ARG A 75 17.394 -1.274 -0.697 1.00 2.51 N ATOM 1115 CZ ARG A 75 18.005 -1.689 -1.806 1.00 2.97 C ATOM 1116 NH1 ARG A 75 17.964 -2.967 -2.156 1.00 3.08 N ATOM 1117 NH2 ARG A 75 18.660 -0.821 -2.563 1.00 3.82 N ATOM 0 H ARG A 75 12.383 -2.379 0.162 1.00 0.44 H new ATOM 0 HA ARG A 75 14.550 -0.770 0.929 1.00 0.46 H new ATOM 0 HB2 ARG A 75 13.693 -2.169 -1.586 1.00 0.59 H new ATOM 0 HB3 ARG A 75 15.020 -1.027 -1.668 1.00 0.59 H new ATOM 0 HG2 ARG A 75 14.902 -3.408 0.219 1.00 1.17 H new ATOM 0 HG3 ARG A 75 15.751 -3.389 -1.314 1.00 1.17 H new ATOM 0 HD2 ARG A 75 16.322 -1.586 1.072 1.00 1.93 H new ATOM 0 HD3 ARG A 75 17.295 -2.948 0.554 1.00 1.93 H new ATOM 0 HE ARG A 75 17.454 -0.284 -0.458 1.00 2.51 H new ATOM 0 HH11 ARG A 75 17.463 -3.639 -1.575 1.00 3.08 H new ATOM 0 HH12 ARG A 75 18.434 -3.278 -3.006 1.00 3.08 H new ATOM 0 HH21 ARG A 75 18.696 0.163 -2.296 1.00 3.82 H new ATOM 0 HH22 ARG A 75 19.128 -1.137 -3.412 1.00 3.82 H new ATOM 1131 N ILE A 76 12.471 0.575 -1.280 1.00 0.43 N ATOM 1132 CA ILE A 76 12.019 1.836 -1.860 1.00 0.48 C ATOM 1133 C ILE A 76 11.889 2.912 -0.789 1.00 0.49 C ATOM 1134 O ILE A 76 12.135 4.091 -1.041 1.00 0.60 O ATOM 1135 CB ILE A 76 10.666 1.668 -2.579 1.00 0.53 C ATOM 1136 CG1 ILE A 76 10.767 0.565 -3.637 1.00 0.62 C ATOM 1137 CG2 ILE A 76 10.234 2.985 -3.212 1.00 0.64 C ATOM 1138 CD1 ILE A 76 9.459 0.272 -4.338 1.00 1.42 C ATOM 0 H ILE A 76 11.951 -0.242 -1.600 1.00 0.43 H new ATOM 0 HA ILE A 76 12.770 2.142 -2.588 1.00 0.48 H new ATOM 0 HB ILE A 76 9.911 1.379 -1.848 1.00 0.53 H new ATOM 0 HG12 ILE A 76 11.510 0.854 -4.380 1.00 0.62 H new ATOM 0 HG13 ILE A 76 11.128 -0.348 -3.164 1.00 0.62 H new ATOM 0 HG21 ILE A 76 9.277 2.850 -3.716 1.00 0.64 H new ATOM 0 HG22 ILE A 76 10.132 3.745 -2.437 1.00 0.64 H new ATOM 0 HG23 ILE A 76 10.984 3.304 -3.936 1.00 0.64 H new ATOM 0 HD11 ILE A 76 9.609 -0.519 -5.073 1.00 1.42 H new ATOM 0 HD12 ILE A 76 8.718 -0.048 -3.606 1.00 1.42 H new ATOM 0 HD13 ILE A 76 9.106 1.172 -4.841 1.00 1.42 H new ATOM 1150 N GLU A 77 11.519 2.491 0.418 1.00 0.45 N ATOM 1151 CA GLU A 77 11.375 3.409 1.539 1.00 0.52 C ATOM 1152 C GLU A 77 12.719 4.056 1.834 1.00 0.52 C ATOM 1153 O GLU A 77 12.832 5.282 1.909 1.00 0.71 O ATOM 1154 CB GLU A 77 10.886 2.647 2.773 1.00 0.59 C ATOM 1155 CG GLU A 77 9.910 3.418 3.641 1.00 0.95 C ATOM 1156 CD GLU A 77 9.500 2.644 4.879 1.00 1.15 C ATOM 1157 OE1 GLU A 77 8.919 1.549 4.728 1.00 1.52 O ATOM 1158 OE2 GLU A 77 9.764 3.131 5.998 1.00 1.59 O ATOM 0 H GLU A 77 11.314 1.517 0.643 1.00 0.45 H new ATOM 0 HA GLU A 77 10.647 4.180 1.286 1.00 0.52 H new ATOM 0 HB2 GLU A 77 10.411 1.721 2.448 1.00 0.59 H new ATOM 0 HB3 GLU A 77 11.749 2.368 3.378 1.00 0.59 H new ATOM 0 HG2 GLU A 77 10.363 4.363 3.940 1.00 0.95 H new ATOM 0 HG3 GLU A 77 9.022 3.661 3.057 1.00 0.95 H new ATOM 1165 N LEU A 78 13.740 3.217 1.981 1.00 0.47 N ATOM 1166 CA LEU A 78 15.091 3.690 2.248 1.00 0.56 C ATOM 1167 C LEU A 78 15.667 4.345 1.000 1.00 0.57 C ATOM 1168 O LEU A 78 16.527 5.221 1.086 1.00 0.66 O ATOM 1169 CB LEU A 78 15.985 2.529 2.691 1.00 0.63 C ATOM 1170 CG LEU A 78 15.514 1.784 3.943 1.00 0.71 C ATOM 1171 CD1 LEU A 78 16.438 0.616 4.249 1.00 0.83 C ATOM 1172 CD2 LEU A 78 15.442 2.731 5.133 1.00 0.84 C ATOM 0 H LEU A 78 13.655 2.202 1.919 1.00 0.47 H new ATOM 0 HA LEU A 78 15.052 4.425 3.052 1.00 0.56 H new ATOM 0 HB2 LEU A 78 16.060 1.816 1.870 1.00 0.63 H new ATOM 0 HB3 LEU A 78 16.989 2.913 2.872 1.00 0.63 H new ATOM 0 HG LEU A 78 14.515 1.392 3.753 1.00 0.71 H new ATOM 0 HD11 LEU A 78 16.087 0.099 5.142 1.00 0.83 H new ATOM 0 HD12 LEU A 78 16.441 -0.076 3.407 1.00 0.83 H new ATOM 0 HD13 LEU A 78 17.449 0.987 4.418 1.00 0.83 H new ATOM 0 HD21 LEU A 78 15.105 2.184 6.014 1.00 0.84 H new ATOM 0 HD22 LEU A 78 16.429 3.152 5.323 1.00 0.84 H new ATOM 0 HD23 LEU A 78 14.740 3.536 4.916 1.00 0.84 H new ATOM 1184 N GLN A 79 15.174 3.921 -0.164 1.00 0.56 N ATOM 1185 CA GLN A 79 15.625 4.477 -1.427 1.00 0.63 C ATOM 1186 C GLN A 79 15.144 5.916 -1.543 1.00 0.66 C ATOM 1187 O GLN A 79 15.820 6.766 -2.122 1.00 0.84 O ATOM 1188 CB GLN A 79 15.115 3.652 -2.609 1.00 0.67 C ATOM 1189 CG GLN A 79 15.418 2.165 -2.502 1.00 0.93 C ATOM 1190 CD GLN A 79 15.350 1.465 -3.842 1.00 1.22 C ATOM 1191 OE1 GLN A 79 16.107 1.782 -4.759 1.00 1.95 O ATOM 1192 NE2 GLN A 79 14.440 0.510 -3.963 1.00 1.30 N ATOM 0 H GLN A 79 14.463 3.195 -0.252 1.00 0.56 H new ATOM 0 HA GLN A 79 16.714 4.451 -1.450 1.00 0.63 H new ATOM 0 HB2 GLN A 79 14.037 3.787 -2.695 1.00 0.67 H new ATOM 0 HB3 GLN A 79 15.559 4.038 -3.527 1.00 0.67 H new ATOM 0 HG2 GLN A 79 16.411 2.029 -2.074 1.00 0.93 H new ATOM 0 HG3 GLN A 79 14.709 1.701 -1.816 1.00 0.93 H new ATOM 0 HE21 GLN A 79 13.834 0.281 -3.176 1.00 1.30 H new ATOM 0 HE22 GLN A 79 14.346 0.004 -4.844 1.00 1.30 H new ATOM 1201 N GLN A 80 13.973 6.184 -0.964 1.00 0.54 N ATOM 1202 CA GLN A 80 13.399 7.502 -0.970 1.00 0.59 C ATOM 1203 C GLN A 80 13.860 8.232 0.275 1.00 0.68 C ATOM 1204 O GLN A 80 13.481 9.377 0.529 1.00 0.78 O ATOM 1205 CB GLN A 80 11.884 7.365 -0.986 1.00 0.54 C ATOM 1206 CG GLN A 80 11.159 8.611 -1.417 1.00 0.99 C ATOM 1207 CD GLN A 80 9.748 8.303 -1.838 1.00 0.98 C ATOM 1208 OE1 GLN A 80 8.899 7.970 -1.014 1.00 1.68 O ATOM 1209 NE2 GLN A 80 9.500 8.387 -3.132 1.00 0.74 N ATOM 0 H GLN A 80 13.408 5.485 -0.482 1.00 0.54 H new ATOM 0 HA GLN A 80 13.714 8.067 -1.847 1.00 0.59 H new ATOM 0 HB2 GLN A 80 11.611 6.549 -1.655 1.00 0.54 H new ATOM 0 HB3 GLN A 80 11.545 7.087 0.012 1.00 0.54 H new ATOM 0 HG2 GLN A 80 11.148 9.330 -0.598 1.00 0.99 H new ATOM 0 HG3 GLN A 80 11.694 9.078 -2.244 1.00 0.99 H new ATOM 0 HE21 GLN A 80 10.239 8.668 -3.776 1.00 0.74 H new ATOM 0 HE22 GLN A 80 8.569 8.171 -3.488 1.00 0.74 H new ATOM 1218 N GLY A 81 14.680 7.534 1.056 1.00 0.74 N ATOM 1219 CA GLY A 81 15.195 8.086 2.284 1.00 0.88 C ATOM 1220 C GLY A 81 14.164 8.054 3.386 1.00 0.89 C ATOM 1221 O GLY A 81 13.559 9.080 3.700 1.00 0.99 O ATOM 0 H GLY A 81 14.996 6.586 0.852 1.00 0.74 H new ATOM 0 HA2 GLY A 81 16.076 7.525 2.594 1.00 0.88 H new ATOM 0 HA3 GLY A 81 15.515 9.114 2.115 1.00 0.88 H new ATOM 1225 N ARG A 82 13.956 6.878 3.984 1.00 0.95 N ATOM 1226 CA ARG A 82 12.996 6.748 5.055 1.00 1.07 C ATOM 1227 C ARG A 82 13.329 7.752 6.148 1.00 1.09 C ATOM 1228 O ARG A 82 14.497 8.098 6.342 1.00 1.50 O ATOM 1229 CB ARG A 82 12.994 5.310 5.573 1.00 1.34 C ATOM 1230 CG ARG A 82 13.095 5.190 7.076 1.00 1.78 C ATOM 1231 CD ARG A 82 12.163 4.110 7.604 1.00 2.05 C ATOM 1232 NE ARG A 82 12.217 3.995 9.060 1.00 2.68 N ATOM 1233 CZ ARG A 82 13.291 3.591 9.732 1.00 3.14 C ATOM 1234 NH1 ARG A 82 14.391 3.235 9.079 1.00 3.20 N ATOM 1235 NH2 ARG A 82 13.265 3.536 11.055 1.00 3.90 N ATOM 0 H ARG A 82 14.441 6.015 3.739 1.00 0.95 H new ATOM 0 HA ARG A 82 11.990 6.965 4.695 1.00 1.07 H new ATOM 0 HB2 ARG A 82 12.079 4.818 5.242 1.00 1.34 H new ATOM 0 HB3 ARG A 82 13.827 4.772 5.121 1.00 1.34 H new ATOM 0 HG2 ARG A 82 14.122 4.957 7.357 1.00 1.78 H new ATOM 0 HG3 ARG A 82 12.847 6.146 7.538 1.00 1.78 H new ATOM 0 HD2 ARG A 82 11.141 4.333 7.297 1.00 2.05 H new ATOM 0 HD3 ARG A 82 12.429 3.153 7.156 1.00 2.05 H new ATOM 0 HE ARG A 82 11.382 4.239 9.592 1.00 2.68 H new ATOM 0 HH11 ARG A 82 14.413 3.271 8.060 1.00 3.20 H new ATOM 0 HH12 ARG A 82 15.214 2.925 9.597 1.00 3.20 H new ATOM 0 HH21 ARG A 82 12.420 3.804 11.560 1.00 3.90 H new ATOM 0 HH22 ARG A 82 14.090 3.226 11.569 1.00 3.90 H new ATOM 1249 N VAL A 83 12.311 8.266 6.825 1.00 1.01 N ATOM 1250 CA VAL A 83 12.541 9.279 7.841 1.00 1.24 C ATOM 1251 C VAL A 83 11.989 8.877 9.207 1.00 1.17 C ATOM 1252 O VAL A 83 10.936 8.251 9.307 1.00 1.65 O ATOM 1253 CB VAL A 83 11.921 10.611 7.388 1.00 1.94 C ATOM 1254 CG1 VAL A 83 12.479 11.772 8.195 1.00 2.77 C ATOM 1255 CG2 VAL A 83 12.154 10.812 5.889 1.00 2.45 C ATOM 0 H VAL A 83 11.335 8.003 6.691 1.00 1.01 H new ATOM 0 HA VAL A 83 13.619 9.389 7.957 1.00 1.24 H new ATOM 0 HB VAL A 83 10.846 10.577 7.567 1.00 1.94 H new ATOM 0 HG11 VAL A 83 12.025 12.703 7.855 1.00 2.77 H new ATOM 0 HG12 VAL A 83 12.254 11.623 9.251 1.00 2.77 H new ATOM 0 HG13 VAL A 83 13.559 11.824 8.058 1.00 2.77 H new ATOM 0 HG21 VAL A 83 11.712 11.758 5.576 1.00 2.45 H new ATOM 0 HG22 VAL A 83 13.225 10.827 5.686 1.00 2.45 H new ATOM 0 HG23 VAL A 83 11.691 9.994 5.336 1.00 2.45 H new ATOM 1265 N ARG A 84 12.722 9.239 10.260 1.00 1.26 N ATOM 1266 CA ARG A 84 12.321 8.917 11.629 1.00 1.64 C ATOM 1267 C ARG A 84 11.912 10.175 12.389 1.00 1.64 C ATOM 1268 O ARG A 84 11.445 10.101 13.526 1.00 2.28 O ATOM 1269 CB ARG A 84 13.475 8.232 12.365 1.00 2.64 C ATOM 1270 CG ARG A 84 13.978 6.972 11.681 1.00 3.46 C ATOM 1271 CD ARG A 84 15.148 6.364 12.438 1.00 4.08 C ATOM 1272 NE ARG A 84 15.695 5.192 11.761 1.00 4.79 N ATOM 1273 CZ ARG A 84 16.738 4.499 12.212 1.00 5.36 C ATOM 1274 NH1 ARG A 84 17.336 4.859 13.341 1.00 5.36 N ATOM 1275 NH2 ARG A 84 17.180 3.448 11.539 1.00 6.26 N ATOM 0 H ARG A 84 13.598 9.756 10.190 1.00 1.26 H new ATOM 0 HA ARG A 84 11.465 8.244 11.581 1.00 1.64 H new ATOM 0 HB2 ARG A 84 14.301 8.936 12.461 1.00 2.64 H new ATOM 0 HB3 ARG A 84 13.151 7.981 13.375 1.00 2.64 H new ATOM 0 HG2 ARG A 84 13.169 6.245 11.612 1.00 3.46 H new ATOM 0 HG3 ARG A 84 14.284 7.206 10.661 1.00 3.46 H new ATOM 0 HD2 ARG A 84 15.932 7.113 12.554 1.00 4.08 H new ATOM 0 HD3 ARG A 84 14.824 6.084 13.440 1.00 4.08 H new ATOM 0 HE ARG A 84 15.253 4.887 10.894 1.00 4.79 H new ATOM 0 HH11 ARG A 84 16.996 5.667 13.863 1.00 5.36 H new ATOM 0 HH12 ARG A 84 18.135 4.328 13.687 1.00 5.36 H new ATOM 0 HH21 ARG A 84 16.721 3.167 10.672 1.00 6.26 H new ATOM 0 HH22 ARG A 84 17.980 2.919 11.887 1.00 6.26 H new ATOM 1289 N LYS A 85 12.104 11.327 11.755 1.00 1.79 N ATOM 1290 CA LYS A 85 11.767 12.612 12.361 1.00 2.53 C ATOM 1291 C LYS A 85 10.338 12.620 12.894 1.00 2.61 C ATOM 1292 O LYS A 85 10.028 13.309 13.867 1.00 3.08 O ATOM 1293 CB LYS A 85 11.956 13.728 11.331 1.00 3.13 C ATOM 1294 CG LYS A 85 11.576 15.109 11.834 1.00 3.58 C ATOM 1295 CD LYS A 85 11.764 16.156 10.749 1.00 4.39 C ATOM 1296 CE LYS A 85 11.312 17.530 11.212 1.00 5.02 C ATOM 1297 NZ LYS A 85 11.484 18.559 10.149 1.00 5.50 N ATOM 0 H LYS A 85 12.494 11.398 10.815 1.00 1.79 H new ATOM 0 HA LYS A 85 12.434 12.779 13.207 1.00 2.53 H new ATOM 0 HB2 LYS A 85 12.999 13.743 11.015 1.00 3.13 H new ATOM 0 HB3 LYS A 85 11.359 13.498 10.449 1.00 3.13 H new ATOM 0 HG2 LYS A 85 10.537 15.106 12.165 1.00 3.58 H new ATOM 0 HG3 LYS A 85 12.186 15.365 12.700 1.00 3.58 H new ATOM 0 HD2 LYS A 85 12.814 16.196 10.460 1.00 4.39 H new ATOM 0 HD3 LYS A 85 11.200 15.867 9.862 1.00 4.39 H new ATOM 0 HE2 LYS A 85 10.264 17.486 11.509 1.00 5.02 H new ATOM 0 HE3 LYS A 85 11.882 17.821 12.095 1.00 5.02 H new ATOM 0 HZ1 LYS A 85 11.164 19.482 10.505 1.00 5.50 H new ATOM 0 HZ2 LYS A 85 12.488 18.619 9.883 1.00 5.50 H new ATOM 0 HZ3 LYS A 85 10.920 18.295 9.316 1.00 5.50 H new ATOM 1311 N ALA A 86 9.477 11.842 12.251 1.00 2.48 N ATOM 1312 CA ALA A 86 8.076 11.744 12.651 1.00 2.58 C ATOM 1313 C ALA A 86 7.796 10.420 13.339 1.00 2.00 C ATOM 1314 O ALA A 86 8.672 9.559 13.432 1.00 1.95 O ATOM 1315 CB ALA A 86 7.168 11.872 11.445 1.00 3.19 C ATOM 0 H ALA A 86 9.724 11.266 11.446 1.00 2.48 H new ATOM 0 HA ALA A 86 7.878 12.558 13.348 1.00 2.58 H new ATOM 0 HB1 ALA A 86 6.128 11.796 11.763 1.00 3.19 H new ATOM 0 HB2 ALA A 86 7.332 12.838 10.967 1.00 3.19 H new ATOM 0 HB3 ALA A 86 7.390 11.074 10.736 1.00 3.19 H new ATOM 1321 N GLU A 87 6.562 10.253 13.797 1.00 2.01 N ATOM 1322 CA GLU A 87 6.168 9.020 14.451 1.00 1.67 C ATOM 1323 C GLU A 87 5.714 8.009 13.419 1.00 1.90 C ATOM 1324 O GLU A 87 4.849 8.293 12.592 1.00 2.39 O ATOM 1325 CB GLU A 87 5.077 9.266 15.494 1.00 2.04 C ATOM 1326 CG GLU A 87 4.643 8.004 16.224 1.00 2.47 C ATOM 1327 CD GLU A 87 3.725 8.285 17.397 1.00 3.23 C ATOM 1328 OE1 GLU A 87 3.509 9.473 17.712 1.00 3.80 O ATOM 1329 OE2 GLU A 87 3.231 7.314 18.008 1.00 3.66 O ATOM 0 H GLU A 87 5.824 10.953 13.727 1.00 2.01 H new ATOM 0 HA GLU A 87 7.034 8.619 14.977 1.00 1.67 H new ATOM 0 HB2 GLU A 87 5.438 9.992 16.222 1.00 2.04 H new ATOM 0 HB3 GLU A 87 4.210 9.710 15.004 1.00 2.04 H new ATOM 0 HG2 GLU A 87 4.135 7.342 15.523 1.00 2.47 H new ATOM 0 HG3 GLU A 87 5.527 7.474 16.580 1.00 2.47 H new ATOM 1336 N ARG A 88 6.326 6.834 13.459 1.00 1.97 N ATOM 1337 CA ARG A 88 6.004 5.785 12.516 1.00 2.47 C ATOM 1338 C ARG A 88 4.537 5.396 12.621 1.00 2.28 C ATOM 1339 O ARG A 88 3.932 4.982 11.632 1.00 2.54 O ATOM 1340 CB ARG A 88 6.901 4.571 12.720 1.00 2.97 C ATOM 1341 CG ARG A 88 8.203 4.874 13.448 1.00 3.30 C ATOM 1342 CD ARG A 88 9.032 3.614 13.650 1.00 3.95 C ATOM 1343 NE ARG A 88 9.385 2.984 12.380 1.00 4.47 N ATOM 1344 CZ ARG A 88 10.099 1.866 12.285 1.00 5.01 C ATOM 1345 NH1 ARG A 88 10.529 1.252 13.378 1.00 5.17 N ATOM 1346 NH2 ARG A 88 10.384 1.360 11.092 1.00 5.74 N ATOM 0 H ARG A 88 7.048 6.588 14.136 1.00 1.97 H new ATOM 0 HA ARG A 88 6.183 6.170 11.512 1.00 2.47 H new ATOM 0 HB2 ARG A 88 6.350 3.817 13.282 1.00 2.97 H new ATOM 0 HB3 ARG A 88 7.134 4.137 11.747 1.00 2.97 H new ATOM 0 HG2 ARG A 88 8.779 5.603 12.878 1.00 3.30 H new ATOM 0 HG3 ARG A 88 7.984 5.326 14.415 1.00 3.30 H new ATOM 0 HD2 ARG A 88 9.941 3.862 14.197 1.00 3.95 H new ATOM 0 HD3 ARG A 88 8.474 2.907 14.263 1.00 3.95 H new ATOM 0 HE ARG A 88 9.066 3.426 11.518 1.00 4.47 H new ATOM 0 HH11 ARG A 88 10.313 1.637 14.298 1.00 5.17 H new ATOM 0 HH12 ARG A 88 11.076 0.395 13.300 1.00 5.17 H new ATOM 0 HH21 ARG A 88 10.055 1.828 10.248 1.00 5.74 H new ATOM 0 HH22 ARG A 88 10.932 0.503 11.019 1.00 5.74 H new ATOM 1360 N TRP A 89 3.952 5.564 13.812 1.00 1.98 N ATOM 1361 CA TRP A 89 2.537 5.261 13.995 1.00 1.91 C ATOM 1362 C TRP A 89 1.767 6.016 12.926 1.00 1.60 C ATOM 1363 O TRP A 89 0.765 5.545 12.390 1.00 1.71 O ATOM 1364 CB TRP A 89 2.061 5.668 15.393 1.00 2.11 C ATOM 1365 CG TRP A 89 0.639 5.281 15.669 1.00 2.00 C ATOM 1366 CD1 TRP A 89 0.055 4.075 15.408 1.00 2.28 C ATOM 1367 CD2 TRP A 89 -0.379 6.100 16.256 1.00 2.29 C ATOM 1368 NE1 TRP A 89 -1.261 4.092 15.796 1.00 2.69 N ATOM 1369 CE2 TRP A 89 -1.553 5.325 16.319 1.00 2.74 C ATOM 1370 CE3 TRP A 89 -0.415 7.415 16.733 1.00 2.65 C ATOM 1371 CZ2 TRP A 89 -2.745 5.818 16.841 1.00 3.44 C ATOM 1372 CZ3 TRP A 89 -1.601 7.903 17.251 1.00 3.33 C ATOM 1373 CH2 TRP A 89 -2.752 7.105 17.300 1.00 3.70 C ATOM 0 H TRP A 89 4.430 5.902 14.647 1.00 1.98 H new ATOM 0 HA TRP A 89 2.369 4.188 13.903 1.00 1.91 H new ATOM 0 HB2 TRP A 89 2.708 5.206 16.139 1.00 2.11 H new ATOM 0 HB3 TRP A 89 2.165 6.747 15.505 1.00 2.11 H new ATOM 0 HD1 TRP A 89 0.556 3.230 14.961 1.00 2.28 H new ATOM 0 HE1 TRP A 89 -1.915 3.314 15.709 1.00 2.69 H new ATOM 0 HE3 TRP A 89 0.467 8.037 16.697 1.00 2.65 H new ATOM 0 HZ2 TRP A 89 -3.633 5.205 16.882 1.00 3.44 H new ATOM 0 HZ3 TRP A 89 -1.641 8.916 17.624 1.00 3.33 H new ATOM 0 HH2 TRP A 89 -3.663 7.516 17.709 1.00 3.70 H new ATOM 1384 N GLY A 90 2.313 7.180 12.589 1.00 1.35 N ATOM 1385 CA GLY A 90 1.766 8.011 11.543 1.00 1.15 C ATOM 1386 C GLY A 90 2.554 7.786 10.267 1.00 1.08 C ATOM 1387 O GLY A 90 3.692 7.326 10.349 1.00 1.29 O ATOM 0 H GLY A 90 3.144 7.566 13.037 1.00 1.35 H new ATOM 0 HA2 GLY A 90 0.715 7.771 11.383 1.00 1.15 H new ATOM 0 HA3 GLY A 90 1.813 9.061 11.834 1.00 1.15 H new ATOM 1391 N PRO A 91 2.009 8.089 9.072 1.00 0.96 N ATOM 1392 CA PRO A 91 2.744 7.891 7.824 1.00 1.07 C ATOM 1393 C PRO A 91 4.213 8.246 7.998 1.00 1.17 C ATOM 1394 O PRO A 91 5.088 7.421 7.757 1.00 1.60 O ATOM 1395 CB PRO A 91 2.057 8.857 6.872 1.00 1.09 C ATOM 1396 CG PRO A 91 0.643 8.902 7.344 1.00 1.09 C ATOM 1397 CD PRO A 91 0.667 8.645 8.834 1.00 0.91 C ATOM 0 HA PRO A 91 2.733 6.859 7.473 1.00 1.07 H new ATOM 0 HB2 PRO A 91 2.519 9.844 6.906 1.00 1.09 H new ATOM 0 HB3 PRO A 91 2.121 8.511 5.840 1.00 1.09 H new ATOM 0 HG2 PRO A 91 0.194 9.871 7.127 1.00 1.09 H new ATOM 0 HG3 PRO A 91 0.041 8.151 6.833 1.00 1.09 H new ATOM 0 HD2 PRO A 91 0.508 9.562 9.401 1.00 0.91 H new ATOM 0 HD3 PRO A 91 -0.114 7.946 9.132 1.00 0.91 H new ATOM 1405 N ARG A 92 4.448 9.474 8.462 1.00 0.93 N ATOM 1406 CA ARG A 92 5.792 9.989 8.740 1.00 1.03 C ATOM 1407 C ARG A 92 6.626 10.196 7.475 1.00 1.13 C ATOM 1408 O ARG A 92 7.431 11.123 7.403 1.00 1.95 O ATOM 1409 CB ARG A 92 6.494 9.095 9.783 1.00 1.21 C ATOM 1410 CG ARG A 92 7.875 8.600 9.393 1.00 1.04 C ATOM 1411 CD ARG A 92 7.765 7.504 8.356 1.00 1.71 C ATOM 1412 NE ARG A 92 9.033 7.151 7.745 1.00 2.57 N ATOM 1413 CZ ARG A 92 9.165 6.126 6.916 1.00 3.53 C ATOM 1414 NH1 ARG A 92 8.155 5.289 6.733 1.00 3.96 N ATOM 1415 NH2 ARG A 92 10.300 5.930 6.281 1.00 4.39 N ATOM 0 H ARG A 92 3.706 10.146 8.657 1.00 0.93 H new ATOM 0 HA ARG A 92 5.687 10.986 9.167 1.00 1.03 H new ATOM 0 HB2 ARG A 92 6.576 9.651 10.717 1.00 1.21 H new ATOM 0 HB3 ARG A 92 5.860 8.231 9.982 1.00 1.21 H new ATOM 0 HG2 ARG A 92 8.467 9.426 8.998 1.00 1.04 H new ATOM 0 HG3 ARG A 92 8.397 8.226 10.274 1.00 1.04 H new ATOM 0 HD2 ARG A 92 7.337 6.617 8.822 1.00 1.71 H new ATOM 0 HD3 ARG A 92 7.072 7.821 7.577 1.00 1.71 H new ATOM 0 HE ARG A 92 9.855 7.714 7.962 1.00 2.57 H new ATOM 0 HH11 ARG A 92 7.276 5.434 7.230 1.00 3.96 H new ATOM 0 HH12 ARG A 92 8.256 4.500 6.095 1.00 3.96 H new ATOM 0 HH21 ARG A 92 11.082 6.568 6.426 1.00 4.39 H new ATOM 0 HH22 ARG A 92 10.398 5.140 5.644 1.00 4.39 H new ATOM 1429 N THR A 93 6.404 9.354 6.483 1.00 0.94 N ATOM 1430 CA THR A 93 7.109 9.440 5.203 1.00 0.91 C ATOM 1431 C THR A 93 6.458 8.502 4.191 1.00 0.83 C ATOM 1432 O THR A 93 5.755 8.951 3.288 1.00 1.08 O ATOM 1433 CB THR A 93 8.600 9.103 5.352 1.00 1.02 C ATOM 1434 OG1 THR A 93 9.200 9.877 6.374 1.00 1.52 O ATOM 1435 CG2 THR A 93 9.394 9.348 4.086 1.00 1.47 C ATOM 0 H THR A 93 5.731 8.589 6.535 1.00 0.94 H new ATOM 0 HA THR A 93 7.037 10.468 4.848 1.00 0.91 H new ATOM 0 HB THR A 93 8.626 8.040 5.594 1.00 1.02 H new ATOM 0 HG1 THR A 93 8.665 10.683 6.530 1.00 1.52 H new ATOM 0 HG21 THR A 93 10.439 9.091 4.257 1.00 1.47 H new ATOM 0 HG22 THR A 93 8.995 8.731 3.281 1.00 1.47 H new ATOM 0 HG23 THR A 93 9.320 10.399 3.808 1.00 1.47 H new ATOM 1443 N LEU A 94 6.673 7.194 4.355 1.00 0.68 N ATOM 1444 CA LEU A 94 6.071 6.210 3.456 1.00 0.64 C ATOM 1445 C LEU A 94 6.240 4.801 4.005 1.00 0.56 C ATOM 1446 O LEU A 94 7.321 4.417 4.441 1.00 0.71 O ATOM 1447 CB LEU A 94 6.668 6.290 2.043 1.00 0.72 C ATOM 1448 CG LEU A 94 8.047 5.649 1.866 1.00 1.00 C ATOM 1449 CD1 LEU A 94 8.365 5.472 0.392 1.00 1.44 C ATOM 1450 CD2 LEU A 94 9.119 6.487 2.541 1.00 1.87 C ATOM 0 H LEU A 94 7.253 6.796 5.094 1.00 0.68 H new ATOM 0 HA LEU A 94 5.008 6.444 3.391 1.00 0.64 H new ATOM 0 HB2 LEU A 94 5.975 5.815 1.349 1.00 0.72 H new ATOM 0 HB3 LEU A 94 6.736 7.339 1.757 1.00 0.72 H new ATOM 0 HG LEU A 94 8.030 4.667 2.339 1.00 1.00 H new ATOM 0 HD11 LEU A 94 9.349 5.015 0.284 1.00 1.44 H new ATOM 0 HD12 LEU A 94 7.614 4.829 -0.068 1.00 1.44 H new ATOM 0 HD13 LEU A 94 8.361 6.444 -0.100 1.00 1.44 H new ATOM 0 HD21 LEU A 94 10.091 6.014 2.403 1.00 1.87 H new ATOM 0 HD22 LEU A 94 9.134 7.483 2.099 1.00 1.87 H new ATOM 0 HD23 LEU A 94 8.902 6.566 3.606 1.00 1.87 H new ATOM 1462 N ASP A 95 5.165 4.036 3.963 1.00 0.52 N ATOM 1463 CA ASP A 95 5.179 2.659 4.436 1.00 0.53 C ATOM 1464 C ASP A 95 4.502 1.763 3.409 1.00 0.46 C ATOM 1465 O ASP A 95 3.300 1.511 3.482 1.00 0.59 O ATOM 1466 CB ASP A 95 4.466 2.548 5.784 1.00 0.73 C ATOM 1467 CG ASP A 95 4.480 1.134 6.332 1.00 1.16 C ATOM 1468 OD1 ASP A 95 5.586 0.593 6.550 1.00 1.72 O ATOM 1469 OD2 ASP A 95 3.388 0.567 6.539 1.00 1.64 O ATOM 0 H ASP A 95 4.262 4.346 3.603 1.00 0.52 H new ATOM 0 HA ASP A 95 6.213 2.340 4.569 1.00 0.53 H new ATOM 0 HB2 ASP A 95 4.943 3.217 6.500 1.00 0.73 H new ATOM 0 HB3 ASP A 95 3.434 2.882 5.675 1.00 0.73 H new ATOM 1474 N LEU A 96 5.288 1.290 2.451 1.00 0.38 N ATOM 1475 CA LEU A 96 4.771 0.428 1.401 1.00 0.36 C ATOM 1476 C LEU A 96 4.938 -1.041 1.795 1.00 0.40 C ATOM 1477 O LEU A 96 6.036 -1.596 1.749 1.00 0.53 O ATOM 1478 CB LEU A 96 5.459 0.744 0.059 1.00 0.43 C ATOM 1479 CG LEU A 96 6.929 0.327 -0.073 1.00 0.52 C ATOM 1480 CD1 LEU A 96 7.410 0.539 -1.498 1.00 0.97 C ATOM 1481 CD2 LEU A 96 7.804 1.105 0.899 1.00 0.89 C ATOM 0 H LEU A 96 6.286 1.490 2.381 1.00 0.38 H new ATOM 0 HA LEU A 96 3.705 0.617 1.274 1.00 0.36 H new ATOM 0 HB2 LEU A 96 4.894 0.258 -0.736 1.00 0.43 H new ATOM 0 HB3 LEU A 96 5.393 1.818 -0.113 1.00 0.43 H new ATOM 0 HG LEU A 96 7.006 -0.732 0.172 1.00 0.52 H new ATOM 0 HD11 LEU A 96 8.455 0.239 -1.578 1.00 0.97 H new ATOM 0 HD12 LEU A 96 6.807 -0.062 -2.179 1.00 0.97 H new ATOM 0 HD13 LEU A 96 7.314 1.592 -1.762 1.00 0.97 H new ATOM 0 HD21 LEU A 96 8.842 0.791 0.786 1.00 0.89 H new ATOM 0 HD22 LEU A 96 7.722 2.171 0.688 1.00 0.89 H new ATOM 0 HD23 LEU A 96 7.475 0.911 1.920 1.00 0.89 H new ATOM 1493 N ASP A 97 3.836 -1.651 2.221 1.00 0.38 N ATOM 1494 CA ASP A 97 3.846 -3.042 2.664 1.00 0.44 C ATOM 1495 C ASP A 97 2.799 -3.880 1.941 1.00 0.39 C ATOM 1496 O ASP A 97 1.791 -3.358 1.463 1.00 0.40 O ATOM 1497 CB ASP A 97 3.581 -3.106 4.170 1.00 0.55 C ATOM 1498 CG ASP A 97 4.769 -2.648 4.995 1.00 1.14 C ATOM 1499 OD1 ASP A 97 5.791 -2.256 4.397 1.00 1.45 O ATOM 1500 OD2 ASP A 97 4.676 -2.681 6.241 1.00 1.93 O ATOM 0 H ASP A 97 2.921 -1.202 2.269 1.00 0.38 H new ATOM 0 HA ASP A 97 4.829 -3.451 2.431 1.00 0.44 H new ATOM 0 HB2 ASP A 97 2.717 -2.486 4.409 1.00 0.55 H new ATOM 0 HB3 ASP A 97 3.325 -4.129 4.446 1.00 0.55 H new ATOM 1505 N ILE A 98 3.037 -5.188 1.893 1.00 0.39 N ATOM 1506 CA ILE A 98 2.105 -6.110 1.261 1.00 0.36 C ATOM 1507 C ILE A 98 0.764 -6.076 1.986 1.00 0.35 C ATOM 1508 O ILE A 98 0.609 -6.647 3.068 1.00 0.53 O ATOM 1509 CB ILE A 98 2.665 -7.558 1.225 1.00 0.36 C ATOM 1510 CG1 ILE A 98 3.540 -7.755 -0.013 1.00 0.48 C ATOM 1511 CG2 ILE A 98 1.544 -8.594 1.250 1.00 0.44 C ATOM 1512 CD1 ILE A 98 2.773 -7.689 -1.319 1.00 1.20 C ATOM 0 H ILE A 98 3.868 -5.631 2.285 1.00 0.39 H new ATOM 0 HA ILE A 98 1.964 -5.788 0.229 1.00 0.36 H new ATOM 0 HB ILE A 98 3.271 -7.703 2.119 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.319 -6.993 -0.021 1.00 0.48 H new ATOM 0 HG13 ILE A 98 4.040 -8.721 0.056 1.00 0.48 H new ATOM 0 HG21 ILE A 98 1.973 -9.595 1.224 1.00 0.44 H new ATOM 0 HG22 ILE A 98 0.958 -8.474 2.161 1.00 0.44 H new ATOM 0 HG23 ILE A 98 0.899 -8.453 0.383 1.00 0.44 H new ATOM 0 HD11 ILE A 98 3.460 -7.837 -2.152 1.00 1.20 H new ATOM 0 HD12 ILE A 98 2.011 -8.469 -1.333 1.00 1.20 H new ATOM 0 HD13 ILE A 98 2.296 -6.713 -1.412 1.00 1.20 H new ATOM 1524 N MET A 99 -0.195 -5.391 1.383 1.00 0.32 N ATOM 1525 CA MET A 99 -1.525 -5.272 1.960 1.00 0.36 C ATOM 1526 C MET A 99 -2.442 -6.329 1.366 1.00 0.33 C ATOM 1527 O MET A 99 -3.503 -6.632 1.913 1.00 0.37 O ATOM 1528 CB MET A 99 -2.087 -3.876 1.696 1.00 0.43 C ATOM 1529 CG MET A 99 -1.185 -2.755 2.182 1.00 0.68 C ATOM 1530 SD MET A 99 -0.913 -2.804 3.964 1.00 1.56 S ATOM 1531 CE MET A 99 0.145 -1.376 4.183 1.00 2.37 C ATOM 0 H MET A 99 -0.077 -4.908 0.492 1.00 0.32 H new ATOM 0 HA MET A 99 -1.461 -5.425 3.037 1.00 0.36 H new ATOM 0 HB2 MET A 99 -2.255 -3.758 0.626 1.00 0.43 H new ATOM 0 HB3 MET A 99 -3.058 -3.786 2.183 1.00 0.43 H new ATOM 0 HG2 MET A 99 -0.225 -2.819 1.670 1.00 0.68 H new ATOM 0 HG3 MET A 99 -1.627 -1.796 1.912 1.00 0.68 H new ATOM 0 HE1 MET A 99 0.614 -1.418 5.166 1.00 2.37 H new ATOM 0 HE2 MET A 99 0.916 -1.373 3.413 1.00 2.37 H new ATOM 0 HE3 MET A 99 -0.450 -0.466 4.104 1.00 2.37 H new ATOM 1541 N LEU A 100 -2.010 -6.892 0.242 1.00 0.30 N ATOM 1542 CA LEU A 100 -2.767 -7.928 -0.444 1.00 0.30 C ATOM 1543 C LEU A 100 -1.879 -8.621 -1.466 1.00 0.31 C ATOM 1544 O LEU A 100 -1.344 -7.982 -2.368 1.00 0.58 O ATOM 1545 CB LEU A 100 -4.021 -7.338 -1.110 1.00 0.30 C ATOM 1546 CG LEU A 100 -5.334 -7.630 -0.372 1.00 0.37 C ATOM 1547 CD1 LEU A 100 -6.518 -7.044 -1.123 1.00 0.40 C ATOM 1548 CD2 LEU A 100 -5.517 -9.127 -0.171 1.00 0.43 C ATOM 0 H LEU A 100 -1.132 -6.644 -0.214 1.00 0.30 H new ATOM 0 HA LEU A 100 -3.100 -8.666 0.286 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -3.898 -6.258 -1.193 1.00 0.30 H new ATOM 0 HB3 LEU A 100 -4.095 -7.729 -2.125 1.00 0.30 H new ATOM 0 HG LEU A 100 -5.283 -7.156 0.608 1.00 0.37 H new ATOM 0 HD11 LEU A 100 -7.438 -7.264 -0.581 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -6.396 -5.964 -1.208 1.00 0.40 H new ATOM 0 HD13 LEU A 100 -6.570 -7.483 -2.119 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -6.454 -9.312 0.354 1.00 0.43 H new ATOM 0 HD22 LEU A 100 -5.540 -9.624 -1.141 1.00 0.43 H new ATOM 0 HD23 LEU A 100 -4.688 -9.519 0.418 1.00 0.43 H new ATOM 1560 N PHE A 101 -1.702 -9.927 -1.303 1.00 0.36 N ATOM 1561 CA PHE A 101 -0.857 -10.694 -2.207 1.00 0.36 C ATOM 1562 C PHE A 101 -1.463 -12.066 -2.471 1.00 0.38 C ATOM 1563 O PHE A 101 -1.362 -12.966 -1.638 1.00 0.88 O ATOM 1564 CB PHE A 101 0.549 -10.841 -1.612 1.00 0.46 C ATOM 1565 CG PHE A 101 1.577 -11.323 -2.600 1.00 0.70 C ATOM 1566 CD1 PHE A 101 1.598 -10.833 -3.897 1.00 1.13 C ATOM 1567 CD2 PHE A 101 2.523 -12.268 -2.235 1.00 1.10 C ATOM 1568 CE1 PHE A 101 2.545 -11.274 -4.802 1.00 1.59 C ATOM 1569 CE2 PHE A 101 3.470 -12.711 -3.136 1.00 1.59 C ATOM 1570 CZ PHE A 101 3.471 -12.211 -4.433 1.00 1.75 C ATOM 0 H PHE A 101 -2.131 -10.474 -0.556 1.00 0.36 H new ATOM 0 HA PHE A 101 -0.787 -10.161 -3.155 1.00 0.36 H new ATOM 0 HB2 PHE A 101 0.867 -9.878 -1.211 1.00 0.46 H new ATOM 0 HB3 PHE A 101 0.508 -11.537 -0.774 1.00 0.46 H new ATOM 0 HD1 PHE A 101 0.867 -10.099 -4.203 1.00 1.13 H new ATOM 0 HD2 PHE A 101 2.519 -12.664 -1.230 1.00 1.10 H new ATOM 0 HE1 PHE A 101 2.554 -10.877 -5.806 1.00 1.59 H new ATOM 0 HE2 PHE A 101 4.206 -13.442 -2.835 1.00 1.59 H new ATOM 0 HZ PHE A 101 4.201 -12.561 -5.148 1.00 1.75 H new ATOM 1580 N GLY A 102 -2.098 -12.212 -3.635 1.00 0.58 N ATOM 1581 CA GLY A 102 -2.721 -13.475 -3.995 1.00 0.60 C ATOM 1582 C GLY A 102 -3.545 -14.050 -2.861 1.00 0.73 C ATOM 1583 O GLY A 102 -4.449 -13.391 -2.345 1.00 1.49 O ATOM 0 H GLY A 102 -2.191 -11.476 -4.335 1.00 0.58 H new ATOM 0 HA2 GLY A 102 -3.358 -13.328 -4.867 1.00 0.60 H new ATOM 0 HA3 GLY A 102 -1.950 -14.190 -4.281 1.00 0.60 H new ATOM 1587 N ASN A 103 -3.225 -15.275 -2.459 1.00 0.56 N ATOM 1588 CA ASN A 103 -3.937 -15.921 -1.367 1.00 0.58 C ATOM 1589 C ASN A 103 -2.967 -16.659 -0.446 1.00 0.52 C ATOM 1590 O ASN A 103 -3.386 -17.378 0.460 1.00 0.67 O ATOM 1591 CB ASN A 103 -5.008 -16.880 -1.901 1.00 0.76 C ATOM 1592 CG ASN A 103 -4.445 -18.031 -2.718 1.00 0.85 C ATOM 1593 OD1 ASN A 103 -3.132 -18.052 -2.913 1.00 1.55 O flip ATOM 1594 ND2 ASN A 103 -5.191 -18.897 -3.176 1.00 0.90 N flip ATOM 0 H ASN A 103 -2.481 -15.837 -2.872 1.00 0.56 H new ATOM 0 HA ASN A 103 -4.435 -15.144 -0.787 1.00 0.58 H new ATOM 0 HB2 ASN A 103 -5.572 -17.284 -1.061 1.00 0.76 H new ATOM 0 HB3 ASN A 103 -5.711 -16.319 -2.517 1.00 0.76 H new ATOM 0 HD21 ASN A 103 -6.195 -18.847 -3.005 1.00 0.90 H new ATOM 0 HD22 ASN A 103 -4.805 -19.664 -3.726 1.00 0.90 H new ATOM 1601 N GLU A 104 -1.668 -16.465 -0.670 1.00 0.43 N ATOM 1602 CA GLU A 104 -0.659 -17.110 0.166 1.00 0.42 C ATOM 1603 C GLU A 104 -0.755 -16.618 1.597 1.00 0.42 C ATOM 1604 O GLU A 104 -1.438 -15.634 1.884 1.00 0.58 O ATOM 1605 CB GLU A 104 0.755 -16.869 -0.360 1.00 0.51 C ATOM 1606 CG GLU A 104 0.955 -15.510 -1.006 1.00 0.56 C ATOM 1607 CD GLU A 104 0.670 -15.533 -2.494 1.00 1.57 C ATOM 1608 OE1 GLU A 104 1.345 -16.293 -3.217 1.00 2.29 O ATOM 1609 OE2 GLU A 104 -0.230 -14.789 -2.938 1.00 2.14 O ATOM 0 H GLU A 104 -1.294 -15.875 -1.413 1.00 0.43 H new ATOM 0 HA GLU A 104 -0.858 -18.181 0.135 1.00 0.42 H new ATOM 0 HB2 GLU A 104 1.460 -16.974 0.464 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.997 -17.644 -1.087 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.302 -14.782 -0.525 1.00 0.56 H new ATOM 0 HG3 GLU A 104 1.980 -15.178 -0.840 1.00 0.56 H new ATOM 1616 N VAL A 105 -0.067 -17.311 2.493 1.00 0.50 N ATOM 1617 CA VAL A 105 -0.068 -16.958 3.902 1.00 0.56 C ATOM 1618 C VAL A 105 1.263 -17.326 4.551 1.00 0.61 C ATOM 1619 O VAL A 105 1.418 -18.411 5.115 1.00 0.72 O ATOM 1620 CB VAL A 105 -1.220 -17.662 4.647 1.00 0.66 C ATOM 1621 CG1 VAL A 105 -1.133 -17.414 6.145 1.00 0.80 C ATOM 1622 CG2 VAL A 105 -2.567 -17.199 4.109 1.00 0.67 C ATOM 0 H VAL A 105 0.502 -18.126 2.265 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.212 -15.880 3.973 1.00 0.56 H new ATOM 0 HB VAL A 105 -1.127 -18.734 4.475 1.00 0.66 H new ATOM 0 HG11 VAL A 105 -1.957 -17.922 6.646 1.00 0.80 H new ATOM 0 HG12 VAL A 105 -0.186 -17.799 6.523 1.00 0.80 H new ATOM 0 HG13 VAL A 105 -1.193 -16.343 6.341 1.00 0.80 H new ATOM 0 HG21 VAL A 105 -3.368 -17.707 4.647 1.00 0.67 H new ATOM 0 HG22 VAL A 105 -2.663 -16.122 4.247 1.00 0.67 H new ATOM 0 HG23 VAL A 105 -2.636 -17.436 3.047 1.00 0.67 H new ATOM 1632 N ILE A 106 2.224 -16.414 4.461 1.00 0.58 N ATOM 1633 CA ILE A 106 3.545 -16.636 5.033 1.00 0.64 C ATOM 1634 C ILE A 106 3.892 -15.532 6.023 1.00 0.61 C ATOM 1635 O ILE A 106 3.647 -14.354 5.761 1.00 0.57 O ATOM 1636 CB ILE A 106 4.643 -16.701 3.946 1.00 0.74 C ATOM 1637 CG1 ILE A 106 4.406 -17.882 2.997 1.00 0.76 C ATOM 1638 CG2 ILE A 106 6.019 -16.807 4.586 1.00 1.31 C ATOM 1639 CD1 ILE A 106 3.247 -17.682 2.043 1.00 1.45 C ATOM 0 H ILE A 106 2.112 -15.513 3.997 1.00 0.58 H new ATOM 0 HA ILE A 106 3.509 -17.597 5.546 1.00 0.64 H new ATOM 0 HB ILE A 106 4.597 -15.781 3.364 1.00 0.74 H new ATOM 0 HG12 ILE A 106 5.313 -18.058 2.419 1.00 0.76 H new ATOM 0 HG13 ILE A 106 4.226 -18.780 3.588 1.00 0.76 H new ATOM 0 HG21 ILE A 106 6.780 -16.852 3.807 1.00 1.31 H new ATOM 0 HG22 ILE A 106 6.195 -15.935 5.216 1.00 1.31 H new ATOM 0 HG23 ILE A 106 6.069 -17.710 5.194 1.00 1.31 H new ATOM 0 HD11 ILE A 106 3.145 -18.560 1.406 1.00 1.45 H new ATOM 0 HD12 ILE A 106 2.328 -17.537 2.612 1.00 1.45 H new ATOM 0 HD13 ILE A 106 3.433 -16.804 1.424 1.00 1.45 H new ATOM 1651 N ASN A 107 4.464 -15.918 7.160 1.00 0.84 N ATOM 1652 CA ASN A 107 4.852 -14.963 8.195 1.00 0.90 C ATOM 1653 C ASN A 107 6.341 -15.093 8.502 1.00 0.91 C ATOM 1654 O ASN A 107 6.769 -16.068 9.120 1.00 1.02 O ATOM 1655 CB ASN A 107 4.041 -15.198 9.477 1.00 1.09 C ATOM 1656 CG ASN A 107 2.542 -14.984 9.310 1.00 1.00 C ATOM 1657 OD1 ASN A 107 2.110 -14.547 8.132 1.00 1.28 O flip ATOM 1658 ND2 ASN A 107 1.774 -15.205 10.247 1.00 1.21 N flip ATOM 0 H ASN A 107 4.670 -16.890 7.389 1.00 0.84 H new ATOM 0 HA ASN A 107 4.647 -13.958 7.826 1.00 0.90 H new ATOM 0 HB2 ASN A 107 4.216 -16.217 9.824 1.00 1.09 H new ATOM 0 HB3 ASN A 107 4.409 -14.529 10.255 1.00 1.09 H new ATOM 0 HD21 ASN A 107 2.140 -15.540 11.138 1.00 1.21 H new ATOM 0 HD22 ASN A 107 0.772 -15.053 10.132 1.00 1.21 H new ATOM 1665 N THR A 108 7.125 -14.112 8.069 1.00 0.86 N ATOM 1666 CA THR A 108 8.567 -14.135 8.307 1.00 0.89 C ATOM 1667 C THR A 108 8.958 -13.133 9.396 1.00 0.91 C ATOM 1668 O THR A 108 8.530 -13.264 10.544 1.00 1.16 O ATOM 1669 CB THR A 108 9.330 -13.853 7.010 1.00 0.90 C ATOM 1670 OG1 THR A 108 9.002 -12.575 6.501 1.00 1.07 O ATOM 1671 CG2 THR A 108 9.048 -14.865 5.920 1.00 0.92 C ATOM 0 H THR A 108 6.792 -13.296 7.555 1.00 0.86 H new ATOM 0 HA THR A 108 8.838 -15.132 8.655 1.00 0.89 H new ATOM 0 HB THR A 108 10.385 -13.912 7.278 1.00 0.90 H new ATOM 0 HG1 THR A 108 9.770 -12.210 6.013 1.00 1.07 H new ATOM 0 HG21 THR A 108 9.619 -14.608 5.028 1.00 0.92 H new ATOM 0 HG22 THR A 108 9.337 -15.859 6.262 1.00 0.92 H new ATOM 0 HG23 THR A 108 7.984 -14.858 5.684 1.00 0.92 H new ATOM 1679 N GLU A 109 9.769 -12.136 9.042 1.00 0.83 N ATOM 1680 CA GLU A 109 10.198 -11.128 10.009 1.00 0.86 C ATOM 1681 C GLU A 109 9.518 -9.790 9.744 1.00 0.73 C ATOM 1682 O GLU A 109 8.812 -9.263 10.606 1.00 0.87 O ATOM 1683 CB GLU A 109 11.723 -10.975 9.990 1.00 0.95 C ATOM 1684 CG GLU A 109 12.317 -10.792 8.601 1.00 1.22 C ATOM 1685 CD GLU A 109 13.834 -10.840 8.609 1.00 1.93 C ATOM 1686 OE1 GLU A 109 14.393 -11.878 9.018 1.00 2.37 O ATOM 1687 OE2 GLU A 109 14.461 -9.837 8.205 1.00 2.60 O ATOM 0 H GLU A 109 10.139 -12.006 8.100 1.00 0.83 H new ATOM 0 HA GLU A 109 9.899 -11.465 11.002 1.00 0.86 H new ATOM 0 HB2 GLU A 109 11.998 -10.119 10.606 1.00 0.95 H new ATOM 0 HB3 GLU A 109 12.171 -11.856 10.451 1.00 0.95 H new ATOM 0 HG2 GLU A 109 11.935 -11.570 7.940 1.00 1.22 H new ATOM 0 HG3 GLU A 109 11.989 -9.837 8.191 1.00 1.22 H new ATOM 1694 N ARG A 110 9.717 -9.252 8.550 1.00 0.63 N ATOM 1695 CA ARG A 110 9.107 -7.984 8.174 1.00 0.64 C ATOM 1696 C ARG A 110 7.933 -8.230 7.244 1.00 0.66 C ATOM 1697 O ARG A 110 6.982 -7.451 7.200 1.00 0.77 O ATOM 1698 CB ARG A 110 10.125 -7.075 7.488 1.00 0.63 C ATOM 1699 CG ARG A 110 11.358 -6.802 8.336 1.00 0.86 C ATOM 1700 CD ARG A 110 12.294 -5.811 7.665 1.00 1.64 C ATOM 1701 NE ARG A 110 13.482 -5.549 8.476 1.00 2.22 N ATOM 1702 CZ ARG A 110 14.432 -4.683 8.138 1.00 2.77 C ATOM 1703 NH1 ARG A 110 14.331 -3.985 7.015 1.00 3.01 N ATOM 1704 NH2 ARG A 110 15.484 -4.511 8.927 1.00 3.68 N ATOM 0 H ARG A 110 10.296 -9.673 7.824 1.00 0.63 H new ATOM 0 HA ARG A 110 8.755 -7.491 9.080 1.00 0.64 H new ATOM 0 HB2 ARG A 110 10.434 -7.532 6.548 1.00 0.63 H new ATOM 0 HB3 ARG A 110 9.646 -6.128 7.240 1.00 0.63 H new ATOM 0 HG2 ARG A 110 11.053 -6.413 9.308 1.00 0.86 H new ATOM 0 HG3 ARG A 110 11.888 -7.737 8.519 1.00 0.86 H new ATOM 0 HD2 ARG A 110 12.597 -6.199 6.692 1.00 1.64 H new ATOM 0 HD3 ARG A 110 11.764 -4.876 7.485 1.00 1.64 H new ATOM 0 HE ARG A 110 13.588 -6.061 9.352 1.00 2.22 H new ATOM 0 HH11 ARG A 110 13.522 -4.112 6.407 1.00 3.01 H new ATOM 0 HH12 ARG A 110 15.062 -3.321 6.759 1.00 3.01 H new ATOM 0 HH21 ARG A 110 15.564 -5.043 9.793 1.00 3.68 H new ATOM 0 HH22 ARG A 110 16.213 -3.846 8.667 1.00 3.68 H new ATOM 1718 N LEU A 111 8.016 -9.325 6.501 1.00 0.62 N ATOM 1719 CA LEU A 111 6.970 -9.693 5.562 1.00 0.63 C ATOM 1720 C LEU A 111 5.686 -10.088 6.281 1.00 0.56 C ATOM 1721 O LEU A 111 5.697 -10.881 7.223 1.00 0.66 O ATOM 1722 CB LEU A 111 7.453 -10.832 4.649 1.00 0.73 C ATOM 1723 CG LEU A 111 6.373 -11.562 3.833 1.00 0.94 C ATOM 1724 CD1 LEU A 111 5.620 -12.566 4.690 1.00 1.15 C ATOM 1725 CD2 LEU A 111 5.409 -10.572 3.191 1.00 1.64 C ATOM 0 H LEU A 111 8.801 -9.975 6.532 1.00 0.62 H new ATOM 0 HA LEU A 111 6.746 -8.820 4.949 1.00 0.63 H new ATOM 0 HB2 LEU A 111 8.188 -10.424 3.955 1.00 0.73 H new ATOM 0 HB3 LEU A 111 7.970 -11.567 5.265 1.00 0.73 H new ATOM 0 HG LEU A 111 6.877 -12.110 3.037 1.00 0.94 H new ATOM 0 HD11 LEU A 111 4.863 -13.066 4.085 1.00 1.15 H new ATOM 0 HD12 LEU A 111 6.318 -13.306 5.082 1.00 1.15 H new ATOM 0 HD13 LEU A 111 5.138 -12.048 5.519 1.00 1.15 H new ATOM 0 HD21 LEU A 111 4.656 -11.115 2.620 1.00 1.64 H new ATOM 0 HD22 LEU A 111 4.921 -9.984 3.968 1.00 1.64 H new ATOM 0 HD23 LEU A 111 5.960 -9.908 2.525 1.00 1.64 H new ATOM 1737 N THR A 112 4.584 -9.544 5.791 1.00 0.46 N ATOM 1738 CA THR A 112 3.266 -9.833 6.321 1.00 0.42 C ATOM 1739 C THR A 112 2.277 -9.951 5.174 1.00 0.39 C ATOM 1740 O THR A 112 2.289 -9.138 4.248 1.00 0.43 O ATOM 1741 CB THR A 112 2.807 -8.734 7.281 1.00 0.45 C ATOM 1742 OG1 THR A 112 3.280 -7.467 6.862 1.00 0.65 O ATOM 1743 CG2 THR A 112 3.243 -8.951 8.713 1.00 0.68 C ATOM 0 H THR A 112 4.581 -8.887 5.011 1.00 0.46 H new ATOM 0 HA THR A 112 3.313 -10.772 6.872 1.00 0.42 H new ATOM 0 HB THR A 112 1.718 -8.773 7.254 1.00 0.45 H new ATOM 0 HG1 THR A 112 2.973 -6.779 7.489 1.00 0.65 H new ATOM 0 HG21 THR A 112 2.880 -8.131 9.332 1.00 0.68 H new ATOM 0 HG22 THR A 112 2.833 -9.892 9.080 1.00 0.68 H new ATOM 0 HG23 THR A 112 4.331 -8.987 8.760 1.00 0.68 H new ATOM 1751 N VAL A 113 1.409 -10.946 5.245 1.00 0.36 N ATOM 1752 CA VAL A 113 0.404 -11.135 4.214 1.00 0.38 C ATOM 1753 C VAL A 113 -0.775 -10.229 4.579 1.00 0.32 C ATOM 1754 O VAL A 113 -0.726 -9.629 5.649 1.00 0.30 O ATOM 1755 CB VAL A 113 -0.005 -12.631 4.121 1.00 0.45 C ATOM 1756 CG1 VAL A 113 -1.370 -12.886 4.741 1.00 1.52 C ATOM 1757 CG2 VAL A 113 0.046 -13.116 2.680 1.00 1.18 C ATOM 0 H VAL A 113 1.380 -11.631 6.000 1.00 0.36 H new ATOM 0 HA VAL A 113 0.783 -10.867 3.228 1.00 0.38 H new ATOM 0 HB VAL A 113 0.719 -13.205 4.699 1.00 0.45 H new ATOM 0 HG11 VAL A 113 -1.617 -13.944 4.654 1.00 1.52 H new ATOM 0 HG12 VAL A 113 -1.350 -12.603 5.793 1.00 1.52 H new ATOM 0 HG13 VAL A 113 -2.123 -12.294 4.220 1.00 1.52 H new ATOM 0 HG21 VAL A 113 -0.244 -14.166 2.639 1.00 1.18 H new ATOM 0 HG22 VAL A 113 -0.640 -12.526 2.073 1.00 1.18 H new ATOM 0 HG23 VAL A 113 1.059 -13.004 2.294 1.00 1.18 H new ATOM 1767 N PRO A 114 -1.835 -10.082 3.736 1.00 0.35 N ATOM 1768 CA PRO A 114 -2.972 -9.219 4.040 1.00 0.36 C ATOM 1769 C PRO A 114 -3.085 -8.912 5.530 1.00 0.33 C ATOM 1770 O PRO A 114 -3.714 -9.648 6.293 1.00 0.35 O ATOM 1771 CB PRO A 114 -4.125 -10.074 3.530 1.00 0.43 C ATOM 1772 CG PRO A 114 -3.562 -10.781 2.325 1.00 0.46 C ATOM 1773 CD PRO A 114 -2.047 -10.721 2.433 1.00 0.42 C ATOM 0 HA PRO A 114 -2.918 -8.228 3.588 1.00 0.36 H new ATOM 0 HB2 PRO A 114 -4.459 -10.784 4.287 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -4.987 -9.462 3.265 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -3.904 -11.815 2.292 1.00 0.46 H new ATOM 0 HG3 PRO A 114 -3.901 -10.303 1.406 1.00 0.46 H new ATOM 0 HD2 PRO A 114 -1.600 -11.714 2.393 1.00 0.42 H new ATOM 0 HD3 PRO A 114 -1.607 -10.140 1.622 1.00 0.42 H new ATOM 1781 N HIS A 115 -2.425 -7.824 5.932 1.00 0.33 N ATOM 1782 CA HIS A 115 -2.382 -7.399 7.316 1.00 0.33 C ATOM 1783 C HIS A 115 -3.692 -6.768 7.742 1.00 0.34 C ATOM 1784 O HIS A 115 -4.036 -5.677 7.291 1.00 0.46 O ATOM 1785 CB HIS A 115 -1.231 -6.405 7.498 1.00 0.39 C ATOM 1786 CG HIS A 115 -1.102 -5.851 8.883 1.00 0.44 C ATOM 1787 ND1 HIS A 115 -1.069 -6.638 10.014 1.00 0.97 N ATOM 1788 CD2 HIS A 115 -0.975 -4.573 9.311 1.00 0.76 C ATOM 1789 CE1 HIS A 115 -0.929 -5.868 11.079 1.00 0.87 C ATOM 1790 NE2 HIS A 115 -0.869 -4.612 10.679 1.00 0.67 N ATOM 0 H HIS A 115 -1.906 -7.217 5.298 1.00 0.33 H new ATOM 0 HA HIS A 115 -2.220 -8.274 7.946 1.00 0.33 H new ATOM 0 HB2 HIS A 115 -0.297 -6.897 7.229 1.00 0.39 H new ATOM 0 HB3 HIS A 115 -1.368 -5.578 6.801 1.00 0.39 H new ATOM 0 HD2 HIS A 115 -0.960 -3.688 8.692 1.00 0.76 H new ATOM 0 HE1 HIS A 115 -0.873 -6.209 12.102 1.00 0.87 H new ATOM 0 HE2 HIS A 115 -0.761 -3.801 11.288 1.00 0.67 H new ATOM 1799 N TYR A 116 -4.408 -7.456 8.627 1.00 0.34 N ATOM 1800 CA TYR A 116 -5.677 -6.953 9.136 1.00 0.42 C ATOM 1801 C TYR A 116 -5.519 -5.506 9.587 1.00 0.43 C ATOM 1802 O TYR A 116 -5.153 -5.235 10.731 1.00 0.49 O ATOM 1803 CB TYR A 116 -6.178 -7.830 10.293 1.00 0.52 C ATOM 1804 CG TYR A 116 -5.081 -8.476 11.126 1.00 0.70 C ATOM 1805 CD1 TYR A 116 -3.950 -7.749 11.481 1.00 1.13 C ATOM 1806 CD2 TYR A 116 -5.167 -9.798 11.553 1.00 0.89 C ATOM 1807 CE1 TYR A 116 -2.941 -8.320 12.235 1.00 1.64 C ATOM 1808 CE2 TYR A 116 -4.163 -10.372 12.306 1.00 1.31 C ATOM 1809 CZ TYR A 116 -3.092 -9.681 12.658 1.00 1.68 C ATOM 1810 OH TYR A 116 -2.050 -10.202 13.395 1.00 2.22 O ATOM 0 H TYR A 116 -4.130 -8.362 9.005 1.00 0.34 H new ATOM 0 HA TYR A 116 -6.417 -6.991 8.337 1.00 0.42 H new ATOM 0 HB2 TYR A 116 -6.801 -7.221 10.948 1.00 0.52 H new ATOM 0 HB3 TYR A 116 -6.815 -8.615 9.886 1.00 0.52 H new ATOM 0 HD1 TYR A 116 -3.858 -6.721 11.163 1.00 1.13 H new ATOM 0 HD2 TYR A 116 -6.035 -10.385 11.290 1.00 0.89 H new ATOM 0 HE1 TYR A 116 -2.060 -7.754 12.499 1.00 1.64 H new ATOM 0 HE2 TYR A 116 -4.254 -11.403 12.613 1.00 1.31 H new ATOM 0 HH TYR A 116 -2.251 -11.131 13.634 1.00 2.22 H new ATOM 1820 N ASP A 117 -5.766 -4.578 8.666 1.00 0.42 N ATOM 1821 CA ASP A 117 -5.614 -3.164 8.955 1.00 0.50 C ATOM 1822 C ASP A 117 -6.088 -2.338 7.770 1.00 0.52 C ATOM 1823 O ASP A 117 -6.562 -1.214 7.919 1.00 0.73 O ATOM 1824 CB ASP A 117 -4.135 -2.868 9.215 1.00 0.52 C ATOM 1825 CG ASP A 117 -3.922 -1.556 9.943 1.00 0.67 C ATOM 1826 OD1 ASP A 117 -4.322 -0.503 9.400 1.00 1.07 O ATOM 1827 OD2 ASP A 117 -3.352 -1.577 11.054 1.00 0.87 O ATOM 0 H ASP A 117 -6.072 -4.785 7.715 1.00 0.42 H new ATOM 0 HA ASP A 117 -6.209 -2.907 9.831 1.00 0.50 H new ATOM 0 HB2 ASP A 117 -3.704 -3.679 9.802 1.00 0.52 H new ATOM 0 HB3 ASP A 117 -3.601 -2.843 8.265 1.00 0.52 H new ATOM 1832 N MET A 118 -5.916 -2.915 6.591 1.00 0.38 N ATOM 1833 CA MET A 118 -6.273 -2.276 5.337 1.00 0.39 C ATOM 1834 C MET A 118 -7.757 -2.424 5.007 1.00 0.38 C ATOM 1835 O MET A 118 -8.300 -1.667 4.208 1.00 0.45 O ATOM 1836 CB MET A 118 -5.460 -2.919 4.219 1.00 0.44 C ATOM 1837 CG MET A 118 -6.005 -4.268 3.773 1.00 0.48 C ATOM 1838 SD MET A 118 -5.844 -5.548 5.030 1.00 1.29 S ATOM 1839 CE MET A 118 -6.582 -6.942 4.182 1.00 2.05 C ATOM 0 H MET A 118 -5.521 -3.849 6.478 1.00 0.38 H new ATOM 0 HA MET A 118 -6.059 -1.211 5.432 1.00 0.39 H new ATOM 0 HB2 MET A 118 -5.436 -2.244 3.363 1.00 0.44 H new ATOM 0 HB3 MET A 118 -4.431 -3.045 4.555 1.00 0.44 H new ATOM 0 HG2 MET A 118 -7.057 -4.158 3.508 1.00 0.48 H new ATOM 0 HG3 MET A 118 -5.480 -4.585 2.872 1.00 0.48 H new ATOM 0 HE1 MET A 118 -6.558 -7.817 4.832 1.00 2.05 H new ATOM 0 HE2 MET A 118 -7.615 -6.707 3.927 1.00 2.05 H new ATOM 0 HE3 MET A 118 -6.022 -7.151 3.271 1.00 2.05 H new ATOM 1849 N LYS A 119 -8.392 -3.422 5.605 1.00 0.40 N ATOM 1850 CA LYS A 119 -9.804 -3.697 5.349 1.00 0.47 C ATOM 1851 C LYS A 119 -10.708 -2.917 6.286 1.00 0.50 C ATOM 1852 O LYS A 119 -11.922 -3.116 6.310 1.00 0.80 O ATOM 1853 CB LYS A 119 -10.074 -5.198 5.443 1.00 0.57 C ATOM 1854 CG LYS A 119 -9.223 -5.906 6.477 1.00 0.69 C ATOM 1855 CD LYS A 119 -9.453 -7.410 6.444 1.00 0.80 C ATOM 1856 CE LYS A 119 -8.610 -8.133 7.480 1.00 1.02 C ATOM 1857 NZ LYS A 119 -8.888 -7.644 8.858 1.00 1.93 N ATOM 0 H LYS A 119 -7.954 -4.057 6.272 1.00 0.40 H new ATOM 0 HA LYS A 119 -10.034 -3.365 4.337 1.00 0.47 H new ATOM 0 HB2 LYS A 119 -11.126 -5.355 5.682 1.00 0.57 H new ATOM 0 HB3 LYS A 119 -9.898 -5.652 4.468 1.00 0.57 H new ATOM 0 HG2 LYS A 119 -8.170 -5.693 6.293 1.00 0.69 H new ATOM 0 HG3 LYS A 119 -9.457 -5.521 7.470 1.00 0.69 H new ATOM 0 HD2 LYS A 119 -10.507 -7.620 6.623 1.00 0.80 H new ATOM 0 HD3 LYS A 119 -9.215 -7.792 5.451 1.00 0.80 H new ATOM 0 HE2 LYS A 119 -8.809 -9.203 7.427 1.00 1.02 H new ATOM 0 HE3 LYS A 119 -7.554 -7.993 7.251 1.00 1.02 H new ATOM 0 HZ1 LYS A 119 -8.652 -8.388 9.545 1.00 1.93 H new ATOM 0 HZ2 LYS A 119 -8.311 -6.800 9.050 1.00 1.93 H new ATOM 0 HZ3 LYS A 119 -9.896 -7.401 8.943 1.00 1.93 H new ATOM 1871 N ASN A 120 -10.109 -1.998 7.024 1.00 0.49 N ATOM 1872 CA ASN A 120 -10.851 -1.139 7.928 1.00 0.52 C ATOM 1873 C ASN A 120 -10.566 0.302 7.544 1.00 0.56 C ATOM 1874 O ASN A 120 -10.795 1.236 8.312 1.00 0.74 O ATOM 1875 CB ASN A 120 -10.468 -1.420 9.388 1.00 0.53 C ATOM 1876 CG ASN A 120 -9.090 -0.914 9.762 1.00 1.17 C ATOM 1877 OD1 ASN A 120 -8.809 0.281 9.696 1.00 2.11 O ATOM 1878 ND2 ASN A 120 -8.232 -1.828 10.180 1.00 1.30 N ATOM 0 H ASN A 120 -9.103 -1.828 7.014 1.00 0.49 H new ATOM 0 HA ASN A 120 -11.920 -1.335 7.843 1.00 0.52 H new ATOM 0 HB2 ASN A 120 -11.206 -0.958 10.044 1.00 0.53 H new ATOM 0 HB3 ASN A 120 -10.512 -2.494 9.566 1.00 0.53 H new ATOM 0 HD21 ASN A 120 -7.292 -1.553 10.465 1.00 1.30 H new ATOM 0 HD22 ASN A 120 -8.510 -2.809 10.218 1.00 1.30 H new ATOM 1885 N ARG A 121 -10.045 0.450 6.324 1.00 0.49 N ATOM 1886 CA ARG A 121 -9.689 1.748 5.767 1.00 0.58 C ATOM 1887 C ARG A 121 -9.869 1.733 4.254 1.00 0.63 C ATOM 1888 O ARG A 121 -9.408 0.809 3.585 1.00 1.07 O ATOM 1889 CB ARG A 121 -8.216 2.071 6.059 1.00 0.64 C ATOM 1890 CG ARG A 121 -7.683 1.497 7.360 1.00 0.91 C ATOM 1891 CD ARG A 121 -6.232 1.890 7.587 1.00 1.24 C ATOM 1892 NE ARG A 121 -5.354 1.346 6.553 1.00 1.84 N ATOM 1893 CZ ARG A 121 -4.042 1.559 6.510 1.00 2.55 C ATOM 1894 NH1 ARG A 121 -3.456 2.321 7.426 1.00 2.86 N ATOM 1895 NH2 ARG A 121 -3.313 1.013 5.545 1.00 3.50 N ATOM 0 H ARG A 121 -9.859 -0.332 5.696 1.00 0.49 H new ATOM 0 HA ARG A 121 -10.336 2.497 6.223 1.00 0.58 H new ATOM 0 HB2 ARG A 121 -7.607 1.696 5.237 1.00 0.64 H new ATOM 0 HB3 ARG A 121 -8.093 3.154 6.079 1.00 0.64 H new ATOM 0 HG2 ARG A 121 -8.292 1.851 8.192 1.00 0.91 H new ATOM 0 HG3 ARG A 121 -7.769 0.411 7.342 1.00 0.91 H new ATOM 0 HD2 ARG A 121 -6.148 2.977 7.601 1.00 1.24 H new ATOM 0 HD3 ARG A 121 -5.907 1.533 8.564 1.00 1.24 H new ATOM 0 HE ARG A 121 -5.772 0.770 5.822 1.00 1.84 H new ATOM 0 HH11 ARG A 121 -4.013 2.746 8.167 1.00 2.86 H new ATOM 0 HH12 ARG A 121 -2.449 2.481 7.388 1.00 2.86 H new ATOM 0 HH21 ARG A 121 -3.759 0.430 4.837 1.00 3.50 H new ATOM 0 HH22 ARG A 121 -2.307 1.176 5.512 1.00 3.50 H new ATOM 1909 N GLY A 122 -10.493 2.770 3.703 1.00 0.62 N ATOM 1910 CA GLY A 122 -10.642 2.833 2.262 1.00 0.61 C ATOM 1911 C GLY A 122 -9.355 3.319 1.638 1.00 0.56 C ATOM 1912 O GLY A 122 -9.277 3.554 0.438 1.00 0.70 O ATOM 0 H GLY A 122 -10.892 3.555 4.219 1.00 0.62 H new ATOM 0 HA2 GLY A 122 -10.899 1.849 1.870 1.00 0.61 H new ATOM 0 HA3 GLY A 122 -11.460 3.504 2.000 1.00 0.61 H new ATOM 1916 N PHE A 123 -8.331 3.459 2.476 1.00 0.52 N ATOM 1917 CA PHE A 123 -7.023 3.909 2.032 1.00 0.58 C ATOM 1918 C PHE A 123 -6.380 2.837 1.172 1.00 0.42 C ATOM 1919 O PHE A 123 -5.858 3.113 0.095 1.00 0.43 O ATOM 1920 CB PHE A 123 -6.121 4.217 3.233 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.654 5.273 4.165 1.00 1.19 C ATOM 1922 CD1 PHE A 123 -7.941 5.176 4.663 1.00 2.11 C ATOM 1923 CD2 PHE A 123 -5.878 6.361 4.540 1.00 1.62 C ATOM 1924 CE1 PHE A 123 -8.446 6.140 5.512 1.00 3.16 C ATOM 1925 CE2 PHE A 123 -6.378 7.329 5.389 1.00 2.59 C ATOM 1926 CZ PHE A 123 -7.614 7.223 5.896 1.00 3.31 C ATOM 0 H PHE A 123 -8.388 3.264 3.476 1.00 0.52 H new ATOM 0 HA PHE A 123 -7.148 4.821 1.448 1.00 0.58 H new ATOM 0 HB2 PHE A 123 -5.965 3.298 3.798 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -5.145 4.535 2.865 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -8.559 4.335 4.384 1.00 2.11 H new ATOM 0 HD2 PHE A 123 -4.870 6.452 4.163 1.00 1.62 H new ATOM 0 HE1 PHE A 123 -9.460 6.071 5.879 1.00 3.16 H new ATOM 0 HE2 PHE A 123 -5.766 8.181 5.647 1.00 2.59 H new ATOM 0 HZ PHE A 123 -7.976 7.961 6.596 1.00 3.31 H new ATOM 1936 N MET A 124 -6.428 1.606 1.665 1.00 0.37 N ATOM 1937 CA MET A 124 -5.860 0.472 0.948 1.00 0.38 C ATOM 1938 C MET A 124 -6.889 -0.154 0.013 1.00 0.38 C ATOM 1939 O MET A 124 -6.542 -0.695 -1.032 1.00 0.57 O ATOM 1940 CB MET A 124 -5.348 -0.586 1.936 1.00 0.50 C ATOM 1941 CG MET A 124 -4.712 -1.792 1.259 1.00 0.90 C ATOM 1942 SD MET A 124 -5.931 -2.967 0.636 1.00 1.99 S ATOM 1943 CE MET A 124 -4.865 -4.258 0.008 1.00 2.44 C ATOM 0 H MET A 124 -6.855 1.367 2.560 1.00 0.37 H new ATOM 0 HA MET A 124 -5.025 0.839 0.351 1.00 0.38 H new ATOM 0 HB2 MET A 124 -4.618 -0.126 2.602 1.00 0.50 H new ATOM 0 HB3 MET A 124 -6.178 -0.924 2.557 1.00 0.50 H new ATOM 0 HG2 MET A 124 -4.087 -1.452 0.433 1.00 0.90 H new ATOM 0 HG3 MET A 124 -4.056 -2.297 1.968 1.00 0.90 H new ATOM 0 HE1 MET A 124 -5.399 -4.836 -0.747 1.00 2.44 H new ATOM 0 HE2 MET A 124 -3.976 -3.811 -0.438 1.00 2.44 H new ATOM 0 HE3 MET A 124 -4.569 -4.915 0.826 1.00 2.44 H new ATOM 1953 N LEU A 125 -8.148 -0.112 0.425 1.00 0.37 N ATOM 1954 CA LEU A 125 -9.242 -0.718 -0.329 1.00 0.41 C ATOM 1955 C LEU A 125 -9.699 0.113 -1.536 1.00 0.34 C ATOM 1956 O LEU A 125 -9.663 -0.373 -2.669 1.00 0.40 O ATOM 1957 CB LEU A 125 -10.412 -0.948 0.618 1.00 0.53 C ATOM 1958 CG LEU A 125 -10.066 -1.727 1.888 1.00 0.61 C ATOM 1959 CD1 LEU A 125 -11.264 -1.782 2.820 1.00 0.85 C ATOM 1960 CD2 LEU A 125 -9.589 -3.132 1.548 1.00 0.76 C ATOM 0 H LEU A 125 -8.442 0.342 1.290 1.00 0.37 H new ATOM 0 HA LEU A 125 -8.872 -1.658 -0.740 1.00 0.41 H new ATOM 0 HB2 LEU A 125 -10.826 0.019 0.903 1.00 0.53 H new ATOM 0 HB3 LEU A 125 -11.195 -1.484 0.082 1.00 0.53 H new ATOM 0 HG LEU A 125 -9.255 -1.207 2.397 1.00 0.61 H new ATOM 0 HD11 LEU A 125 -11.001 -2.340 3.719 1.00 0.85 H new ATOM 0 HD12 LEU A 125 -11.558 -0.769 3.095 1.00 0.85 H new ATOM 0 HD13 LEU A 125 -12.094 -2.277 2.316 1.00 0.85 H new ATOM 0 HD21 LEU A 125 -9.349 -3.667 2.467 1.00 0.76 H new ATOM 0 HD22 LEU A 125 -10.376 -3.664 1.013 1.00 0.76 H new ATOM 0 HD23 LEU A 125 -8.700 -3.072 0.920 1.00 0.76 H new ATOM 1972 N TRP A 126 -10.158 1.343 -1.294 1.00 0.31 N ATOM 1973 CA TRP A 126 -10.652 2.208 -2.372 1.00 0.32 C ATOM 1974 C TRP A 126 -9.689 2.219 -3.576 1.00 0.29 C ATOM 1975 O TRP A 126 -10.083 1.859 -4.683 1.00 0.31 O ATOM 1976 CB TRP A 126 -10.887 3.629 -1.841 1.00 0.38 C ATOM 1977 CG TRP A 126 -11.203 4.669 -2.881 1.00 0.46 C ATOM 1978 CD1 TRP A 126 -10.894 5.993 -2.798 1.00 0.46 C ATOM 1979 CD2 TRP A 126 -11.880 4.496 -4.141 1.00 0.93 C ATOM 1980 NE1 TRP A 126 -11.338 6.658 -3.914 1.00 0.54 N ATOM 1981 CE2 TRP A 126 -11.942 5.763 -4.755 1.00 0.94 C ATOM 1982 CE3 TRP A 126 -12.439 3.403 -4.812 1.00 1.45 C ATOM 1983 CZ2 TRP A 126 -12.537 5.964 -5.996 1.00 1.42 C ATOM 1984 CZ3 TRP A 126 -13.028 3.605 -6.046 1.00 1.96 C ATOM 1985 CH2 TRP A 126 -13.072 4.876 -6.628 1.00 1.93 C ATOM 0 H TRP A 126 -10.199 1.763 -0.365 1.00 0.31 H new ATOM 0 HA TRP A 126 -11.601 1.804 -2.724 1.00 0.32 H new ATOM 0 HB2 TRP A 126 -11.707 3.598 -1.123 1.00 0.38 H new ATOM 0 HB3 TRP A 126 -9.998 3.945 -1.296 1.00 0.38 H new ATOM 0 HD1 TRP A 126 -10.374 6.454 -1.972 1.00 0.46 H new ATOM 0 HE1 TRP A 126 -11.234 7.658 -4.088 1.00 0.54 H new ATOM 0 HE3 TRP A 126 -12.411 2.417 -4.373 1.00 1.45 H new ATOM 0 HZ2 TRP A 126 -12.575 6.946 -6.445 1.00 1.42 H new ATOM 0 HZ3 TRP A 126 -13.462 2.766 -6.570 1.00 1.96 H new ATOM 0 HH2 TRP A 126 -13.537 5.000 -7.595 1.00 1.93 H new ATOM 1996 N PRO A 127 -8.414 2.623 -3.389 1.00 0.28 N ATOM 1997 CA PRO A 127 -7.433 2.664 -4.488 1.00 0.29 C ATOM 1998 C PRO A 127 -7.155 1.294 -5.108 1.00 0.28 C ATOM 1999 O PRO A 127 -7.056 1.170 -6.328 1.00 0.31 O ATOM 2000 CB PRO A 127 -6.166 3.212 -3.824 1.00 0.30 C ATOM 2001 CG PRO A 127 -6.648 3.895 -2.594 1.00 0.31 C ATOM 2002 CD PRO A 127 -7.817 3.078 -2.122 1.00 0.29 C ATOM 0 HA PRO A 127 -7.800 3.270 -5.316 1.00 0.29 H new ATOM 0 HB2 PRO A 127 -5.467 2.411 -3.584 1.00 0.30 H new ATOM 0 HB3 PRO A 127 -5.642 3.905 -4.482 1.00 0.30 H new ATOM 0 HG2 PRO A 127 -5.866 3.938 -1.836 1.00 0.31 H new ATOM 0 HG3 PRO A 127 -6.945 4.922 -2.805 1.00 0.31 H new ATOM 0 HD2 PRO A 127 -7.503 2.242 -1.497 1.00 0.29 H new ATOM 0 HD3 PRO A 127 -8.516 3.671 -1.533 1.00 0.29 H new ATOM 2010 N LEU A 128 -7.021 0.269 -4.267 1.00 0.25 N ATOM 2011 CA LEU A 128 -6.742 -1.086 -4.749 1.00 0.26 C ATOM 2012 C LEU A 128 -7.847 -1.565 -5.683 1.00 0.27 C ATOM 2013 O LEU A 128 -7.608 -2.357 -6.596 1.00 0.29 O ATOM 2014 CB LEU A 128 -6.626 -2.053 -3.575 1.00 0.26 C ATOM 2015 CG LEU A 128 -5.563 -3.127 -3.712 1.00 0.29 C ATOM 2016 CD1 LEU A 128 -4.278 -2.675 -3.036 1.00 0.30 C ATOM 2017 CD2 LEU A 128 -6.059 -4.435 -3.120 1.00 0.44 C ATOM 0 H LEU A 128 -7.100 0.349 -3.253 1.00 0.25 H new ATOM 0 HA LEU A 128 -5.799 -1.060 -5.295 1.00 0.26 H new ATOM 0 HB2 LEU A 128 -6.421 -1.477 -2.672 1.00 0.26 H new ATOM 0 HB3 LEU A 128 -7.591 -2.539 -3.431 1.00 0.26 H new ATOM 0 HG LEU A 128 -5.355 -3.292 -4.769 1.00 0.29 H new ATOM 0 HD11 LEU A 128 -3.520 -3.452 -3.139 1.00 0.30 H new ATOM 0 HD12 LEU A 128 -3.923 -1.757 -3.505 1.00 0.30 H new ATOM 0 HD13 LEU A 128 -4.468 -2.492 -1.979 1.00 0.30 H new ATOM 0 HD21 LEU A 128 -5.287 -5.198 -3.225 1.00 0.44 H new ATOM 0 HD22 LEU A 128 -6.288 -4.293 -2.064 1.00 0.44 H new ATOM 0 HD23 LEU A 128 -6.958 -4.755 -3.646 1.00 0.44 H new ATOM 2029 N PHE A 129 -9.058 -1.074 -5.442 1.00 0.28 N ATOM 2030 CA PHE A 129 -10.221 -1.436 -6.251 1.00 0.30 C ATOM 2031 C PHE A 129 -9.956 -1.153 -7.733 1.00 0.30 C ATOM 2032 O PHE A 129 -10.673 -1.634 -8.608 1.00 0.32 O ATOM 2033 CB PHE A 129 -11.438 -0.623 -5.785 1.00 0.36 C ATOM 2034 CG PHE A 129 -12.687 -0.853 -6.593 1.00 0.42 C ATOM 2035 CD1 PHE A 129 -13.263 -2.112 -6.653 1.00 0.47 C ATOM 2036 CD2 PHE A 129 -13.282 0.185 -7.290 1.00 0.48 C ATOM 2037 CE1 PHE A 129 -14.411 -2.330 -7.392 1.00 0.55 C ATOM 2038 CE2 PHE A 129 -14.431 -0.028 -8.030 1.00 0.56 C ATOM 2039 CZ PHE A 129 -14.993 -1.266 -8.090 1.00 0.58 C ATOM 0 H PHE A 129 -9.262 -0.419 -4.687 1.00 0.28 H new ATOM 0 HA PHE A 129 -10.416 -2.501 -6.128 1.00 0.30 H new ATOM 0 HB2 PHE A 129 -11.644 -0.866 -4.743 1.00 0.36 H new ATOM 0 HB3 PHE A 129 -11.187 0.437 -5.821 1.00 0.36 H new ATOM 0 HD1 PHE A 129 -12.810 -2.932 -6.116 1.00 0.47 H new ATOM 0 HD2 PHE A 129 -12.844 1.172 -7.255 1.00 0.48 H new ATOM 0 HE1 PHE A 129 -14.855 -3.314 -7.430 1.00 0.55 H new ATOM 0 HE2 PHE A 129 -14.885 0.794 -8.564 1.00 0.56 H new ATOM 0 HZ PHE A 129 -15.886 -1.427 -8.675 1.00 0.58 H new ATOM 2049 N GLU A 130 -8.926 -0.355 -8.001 1.00 0.29 N ATOM 2050 CA GLU A 130 -8.569 0.011 -9.366 1.00 0.31 C ATOM 2051 C GLU A 130 -7.333 -0.738 -9.853 1.00 0.29 C ATOM 2052 O GLU A 130 -7.205 -1.025 -11.043 1.00 0.32 O ATOM 2053 CB GLU A 130 -8.328 1.519 -9.463 1.00 0.36 C ATOM 2054 CG GLU A 130 -9.553 2.355 -9.131 1.00 0.93 C ATOM 2055 CD GLU A 130 -10.709 2.097 -10.078 1.00 1.41 C ATOM 2056 OE1 GLU A 130 -10.538 2.305 -11.296 1.00 1.52 O ATOM 2057 OE2 GLU A 130 -11.785 1.684 -9.598 1.00 2.43 O ATOM 0 H GLU A 130 -8.322 0.051 -7.286 1.00 0.29 H new ATOM 0 HA GLU A 130 -9.405 -0.270 -10.006 1.00 0.31 H new ATOM 0 HB2 GLU A 130 -7.518 1.793 -8.787 1.00 0.36 H new ATOM 0 HB3 GLU A 130 -7.996 1.761 -10.473 1.00 0.36 H new ATOM 0 HG2 GLU A 130 -9.869 2.140 -8.110 1.00 0.93 H new ATOM 0 HG3 GLU A 130 -9.288 3.412 -9.167 1.00 0.93 H new ATOM 2064 N ILE A 131 -6.411 -1.039 -8.940 1.00 0.26 N ATOM 2065 CA ILE A 131 -5.186 -1.735 -9.320 1.00 0.27 C ATOM 2066 C ILE A 131 -5.490 -3.184 -9.664 1.00 0.27 C ATOM 2067 O ILE A 131 -4.824 -3.790 -10.503 1.00 0.30 O ATOM 2068 CB ILE A 131 -4.128 -1.671 -8.195 1.00 0.27 C ATOM 2069 CG1 ILE A 131 -4.377 -2.727 -7.102 1.00 0.29 C ATOM 2070 CG2 ILE A 131 -4.130 -0.278 -7.583 1.00 0.32 C ATOM 2071 CD1 ILE A 131 -3.246 -2.845 -6.110 1.00 0.59 C ATOM 0 H ILE A 131 -6.487 -0.816 -7.948 1.00 0.26 H new ATOM 0 HA ILE A 131 -4.777 -1.234 -10.198 1.00 0.27 H new ATOM 0 HB ILE A 131 -3.155 -1.887 -8.636 1.00 0.27 H new ATOM 0 HG12 ILE A 131 -5.294 -2.476 -6.568 1.00 0.29 H new ATOM 0 HG13 ILE A 131 -4.538 -3.696 -7.574 1.00 0.29 H new ATOM 0 HG21 ILE A 131 -3.385 -0.228 -6.789 1.00 0.32 H new ATOM 0 HG22 ILE A 131 -3.891 0.457 -8.351 1.00 0.32 H new ATOM 0 HG23 ILE A 131 -5.116 -0.064 -7.170 1.00 0.32 H new ATOM 0 HD11 ILE A 131 -3.490 -3.607 -5.369 1.00 0.59 H new ATOM 0 HD12 ILE A 131 -2.332 -3.126 -6.632 1.00 0.59 H new ATOM 0 HD13 ILE A 131 -3.099 -1.887 -5.611 1.00 0.59 H new ATOM 2083 N ALA A 132 -6.532 -3.702 -9.028 1.00 0.24 N ATOM 2084 CA ALA A 132 -7.004 -5.069 -9.243 1.00 0.25 C ATOM 2085 C ALA A 132 -7.915 -5.510 -8.100 1.00 0.23 C ATOM 2086 O ALA A 132 -7.453 -6.046 -7.097 1.00 0.28 O ATOM 2087 CB ALA A 132 -5.844 -6.045 -9.393 1.00 0.30 C ATOM 0 H ALA A 132 -7.080 -3.183 -8.342 1.00 0.24 H new ATOM 0 HA ALA A 132 -7.573 -5.075 -10.173 1.00 0.25 H new ATOM 0 HB1 ALA A 132 -6.233 -7.051 -9.551 1.00 0.30 H new ATOM 0 HB2 ALA A 132 -5.232 -5.754 -10.247 1.00 0.30 H new ATOM 0 HB3 ALA A 132 -5.236 -6.029 -8.488 1.00 0.30 H new ATOM 2093 N PRO A 133 -9.230 -5.273 -8.225 1.00 0.25 N ATOM 2094 CA PRO A 133 -10.194 -5.633 -7.193 1.00 0.31 C ATOM 2095 C PRO A 133 -10.768 -7.033 -7.378 1.00 0.35 C ATOM 2096 O PRO A 133 -11.768 -7.392 -6.753 1.00 0.45 O ATOM 2097 CB PRO A 133 -11.267 -4.583 -7.406 1.00 0.37 C ATOM 2098 CG PRO A 133 -11.309 -4.415 -8.886 1.00 0.37 C ATOM 2099 CD PRO A 133 -9.890 -4.615 -9.370 1.00 0.29 C ATOM 0 HA PRO A 133 -9.759 -5.655 -6.194 1.00 0.31 H new ATOM 0 HB2 PRO A 133 -12.230 -4.909 -7.013 1.00 0.37 H new ATOM 0 HB3 PRO A 133 -11.018 -3.648 -6.904 1.00 0.37 H new ATOM 0 HG2 PRO A 133 -11.982 -5.141 -9.342 1.00 0.37 H new ATOM 0 HG3 PRO A 133 -11.677 -3.425 -9.156 1.00 0.37 H new ATOM 0 HD2 PRO A 133 -9.854 -5.235 -10.266 1.00 0.29 H new ATOM 0 HD3 PRO A 133 -9.413 -3.667 -9.619 1.00 0.29 H new ATOM 2107 N GLU A 134 -10.129 -7.825 -8.233 1.00 0.32 N ATOM 2108 CA GLU A 134 -10.577 -9.187 -8.486 1.00 0.37 C ATOM 2109 C GLU A 134 -9.856 -10.147 -7.553 1.00 0.37 C ATOM 2110 O GLU A 134 -9.781 -11.349 -7.809 1.00 0.52 O ATOM 2111 CB GLU A 134 -10.325 -9.575 -9.945 1.00 0.44 C ATOM 2112 CG GLU A 134 -8.861 -9.530 -10.348 1.00 0.46 C ATOM 2113 CD GLU A 134 -8.641 -9.951 -11.786 1.00 0.54 C ATOM 2114 OE1 GLU A 134 -9.200 -9.296 -12.691 1.00 0.87 O ATOM 2115 OE2 GLU A 134 -7.910 -10.941 -12.010 1.00 1.14 O ATOM 0 H GLU A 134 -9.302 -7.547 -8.760 1.00 0.32 H new ATOM 0 HA GLU A 134 -11.649 -9.244 -8.298 1.00 0.37 H new ATOM 0 HB2 GLU A 134 -10.708 -10.581 -10.115 1.00 0.44 H new ATOM 0 HB3 GLU A 134 -10.891 -8.905 -10.592 1.00 0.44 H new ATOM 0 HG2 GLU A 134 -8.480 -8.519 -10.207 1.00 0.46 H new ATOM 0 HG3 GLU A 134 -8.286 -10.182 -9.690 1.00 0.46 H new ATOM 2122 N LEU A 135 -9.318 -9.594 -6.472 1.00 0.30 N ATOM 2123 CA LEU A 135 -8.586 -10.379 -5.490 1.00 0.35 C ATOM 2124 C LEU A 135 -9.539 -11.035 -4.506 1.00 0.34 C ATOM 2125 O LEU A 135 -10.532 -10.441 -4.097 1.00 0.39 O ATOM 2126 CB LEU A 135 -7.607 -9.486 -4.729 1.00 0.41 C ATOM 2127 CG LEU A 135 -6.367 -10.195 -4.173 1.00 0.69 C ATOM 2128 CD1 LEU A 135 -5.413 -9.187 -3.577 1.00 1.27 C ATOM 2129 CD2 LEU A 135 -6.736 -11.231 -3.123 1.00 1.41 C ATOM 0 H LEU A 135 -9.377 -8.599 -6.254 1.00 0.30 H new ATOM 0 HA LEU A 135 -8.035 -11.157 -6.019 1.00 0.35 H new ATOM 0 HB2 LEU A 135 -7.280 -8.686 -5.393 1.00 0.41 H new ATOM 0 HB3 LEU A 135 -8.138 -9.016 -3.901 1.00 0.41 H new ATOM 0 HG LEU A 135 -5.884 -10.711 -5.003 1.00 0.69 H new ATOM 0 HD11 LEU A 135 -4.536 -9.703 -3.185 1.00 1.27 H new ATOM 0 HD12 LEU A 135 -5.104 -8.479 -4.346 1.00 1.27 H new ATOM 0 HD13 LEU A 135 -5.909 -8.650 -2.768 1.00 1.27 H new ATOM 0 HD21 LEU A 135 -5.831 -11.712 -2.753 1.00 1.41 H new ATOM 0 HD22 LEU A 135 -7.252 -10.743 -2.296 1.00 1.41 H new ATOM 0 HD23 LEU A 135 -7.390 -11.982 -3.567 1.00 1.41 H new ATOM 2141 N VAL A 136 -9.207 -12.253 -4.115 1.00 0.36 N ATOM 2142 CA VAL A 136 -10.006 -12.998 -3.155 1.00 0.38 C ATOM 2143 C VAL A 136 -9.100 -13.769 -2.198 1.00 0.42 C ATOM 2144 O VAL A 136 -8.111 -14.370 -2.621 1.00 0.53 O ATOM 2145 CB VAL A 136 -10.973 -13.971 -3.860 1.00 0.41 C ATOM 2146 CG1 VAL A 136 -10.223 -14.850 -4.851 1.00 0.46 C ATOM 2147 CG2 VAL A 136 -11.719 -14.824 -2.845 1.00 0.44 C ATOM 0 H VAL A 136 -8.383 -12.751 -4.450 1.00 0.36 H new ATOM 0 HA VAL A 136 -10.600 -12.280 -2.590 1.00 0.38 H new ATOM 0 HB VAL A 136 -11.705 -13.381 -4.411 1.00 0.41 H new ATOM 0 HG11 VAL A 136 -10.923 -15.529 -5.337 1.00 0.46 H new ATOM 0 HG12 VAL A 136 -9.744 -14.223 -5.603 1.00 0.46 H new ATOM 0 HG13 VAL A 136 -9.464 -15.428 -4.323 1.00 0.46 H new ATOM 0 HG21 VAL A 136 -12.395 -15.502 -3.366 1.00 0.44 H new ATOM 0 HG22 VAL A 136 -11.004 -15.403 -2.260 1.00 0.44 H new ATOM 0 HG23 VAL A 136 -12.294 -14.179 -2.180 1.00 0.44 H new ATOM 2157 N PHE A 137 -9.434 -13.753 -0.910 1.00 0.46 N ATOM 2158 CA PHE A 137 -8.638 -14.453 0.091 1.00 0.53 C ATOM 2159 C PHE A 137 -8.896 -15.954 0.010 1.00 0.57 C ATOM 2160 O PHE A 137 -9.911 -16.378 -0.544 1.00 0.60 O ATOM 2161 CB PHE A 137 -8.976 -13.945 1.499 1.00 0.59 C ATOM 2162 CG PHE A 137 -8.608 -12.505 1.749 1.00 0.58 C ATOM 2163 CD1 PHE A 137 -8.997 -11.514 0.860 1.00 0.55 C ATOM 2164 CD2 PHE A 137 -7.868 -12.140 2.866 1.00 0.66 C ATOM 2165 CE1 PHE A 137 -8.657 -10.193 1.079 1.00 0.59 C ATOM 2166 CE2 PHE A 137 -7.528 -10.821 3.089 1.00 0.68 C ATOM 2167 CZ PHE A 137 -7.934 -9.849 2.233 1.00 0.64 C ATOM 0 H PHE A 137 -10.248 -13.264 -0.537 1.00 0.46 H new ATOM 0 HA PHE A 137 -7.584 -14.258 -0.109 1.00 0.53 H new ATOM 0 HB2 PHE A 137 -10.046 -14.068 1.669 1.00 0.59 H new ATOM 0 HB3 PHE A 137 -8.463 -14.570 2.230 1.00 0.59 H new ATOM 0 HD1 PHE A 137 -9.573 -11.778 -0.015 1.00 0.55 H new ATOM 0 HD2 PHE A 137 -7.555 -12.898 3.569 1.00 0.66 H new ATOM 0 HE1 PHE A 137 -8.945 -9.432 0.369 1.00 0.59 H new ATOM 0 HE2 PHE A 137 -6.934 -10.560 3.952 1.00 0.68 H new ATOM 0 HZ PHE A 137 -7.702 -8.814 2.439 1.00 0.64 H new ATOM 2177 N PRO A 138 -7.996 -16.785 0.574 1.00 0.60 N ATOM 2178 CA PRO A 138 -8.173 -18.241 0.565 1.00 0.66 C ATOM 2179 C PRO A 138 -9.572 -18.618 1.036 1.00 0.73 C ATOM 2180 O PRO A 138 -10.078 -19.701 0.747 1.00 0.78 O ATOM 2181 CB PRO A 138 -7.121 -18.733 1.561 1.00 0.70 C ATOM 2182 CG PRO A 138 -6.059 -17.690 1.534 1.00 0.75 C ATOM 2183 CD PRO A 138 -6.759 -16.383 1.274 1.00 0.62 C ATOM 0 HA PRO A 138 -8.060 -18.676 -0.428 1.00 0.66 H new ATOM 0 HB2 PRO A 138 -7.542 -18.843 2.560 1.00 0.70 H new ATOM 0 HB3 PRO A 138 -6.727 -19.707 1.272 1.00 0.70 H new ATOM 0 HG2 PRO A 138 -5.519 -17.660 2.480 1.00 0.75 H new ATOM 0 HG3 PRO A 138 -5.326 -17.901 0.755 1.00 0.75 H new ATOM 0 HD2 PRO A 138 -6.977 -15.854 2.201 1.00 0.62 H new ATOM 0 HD3 PRO A 138 -6.150 -15.717 0.662 1.00 0.62 H new ATOM 2191 N ASP A 139 -10.188 -17.685 1.759 1.00 0.77 N ATOM 2192 CA ASP A 139 -11.534 -17.856 2.282 1.00 0.87 C ATOM 2193 C ASP A 139 -12.575 -17.644 1.190 1.00 0.80 C ATOM 2194 O ASP A 139 -13.222 -18.590 0.741 1.00 1.03 O ATOM 2195 CB ASP A 139 -11.772 -16.863 3.419 1.00 0.92 C ATOM 2196 CG ASP A 139 -11.043 -17.245 4.692 1.00 1.33 C ATOM 2197 OD1 ASP A 139 -11.305 -18.348 5.218 1.00 1.72 O ATOM 2198 OD2 ASP A 139 -10.210 -16.443 5.164 1.00 1.91 O ATOM 0 H ASP A 139 -9.763 -16.789 1.997 1.00 0.77 H new ATOM 0 HA ASP A 139 -11.631 -18.875 2.656 1.00 0.87 H new ATOM 0 HB2 ASP A 139 -11.448 -15.871 3.103 1.00 0.92 H new ATOM 0 HB3 ASP A 139 -12.841 -16.799 3.623 1.00 0.92 H new ATOM 2203 N GLY A 140 -12.732 -16.391 0.773 1.00 0.59 N ATOM 2204 CA GLY A 140 -13.698 -16.065 -0.260 1.00 0.59 C ATOM 2205 C GLY A 140 -13.915 -14.571 -0.401 1.00 0.61 C ATOM 2206 O GLY A 140 -14.472 -14.110 -1.399 1.00 0.95 O ATOM 0 H GLY A 140 -12.206 -15.595 1.133 1.00 0.59 H new ATOM 0 HA2 GLY A 140 -13.358 -16.471 -1.213 1.00 0.59 H new ATOM 0 HA3 GLY A 140 -14.648 -16.547 -0.030 1.00 0.59 H new ATOM 2210 N GLU A 141 -13.478 -13.810 0.599 1.00 0.51 N ATOM 2211 CA GLU A 141 -13.629 -12.360 0.582 1.00 0.62 C ATOM 2212 C GLU A 141 -12.832 -11.735 -0.552 1.00 0.53 C ATOM 2213 O GLU A 141 -11.921 -12.350 -1.096 1.00 0.59 O ATOM 2214 CB GLU A 141 -13.180 -11.756 1.912 1.00 0.86 C ATOM 2215 CG GLU A 141 -14.182 -11.931 3.041 1.00 1.38 C ATOM 2216 CD GLU A 141 -14.376 -13.378 3.456 1.00 2.15 C ATOM 2217 OE1 GLU A 141 -14.923 -14.156 2.647 1.00 2.76 O ATOM 2218 OE2 GLU A 141 -13.983 -13.734 4.585 1.00 2.53 O ATOM 0 H GLU A 141 -13.016 -14.175 1.432 1.00 0.51 H new ATOM 0 HA GLU A 141 -14.686 -12.144 0.426 1.00 0.62 H new ATOM 0 HB2 GLU A 141 -12.235 -12.212 2.205 1.00 0.86 H new ATOM 0 HB3 GLU A 141 -12.990 -10.692 1.770 1.00 0.86 H new ATOM 0 HG2 GLU A 141 -13.850 -11.355 3.904 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -15.142 -11.518 2.732 1.00 1.38 H new ATOM 2225 N MET A 142 -13.191 -10.506 -0.899 1.00 0.48 N ATOM 2226 CA MET A 142 -12.521 -9.777 -1.971 1.00 0.41 C ATOM 2227 C MET A 142 -12.489 -8.290 -1.654 1.00 0.37 C ATOM 2228 O MET A 142 -13.201 -7.838 -0.761 1.00 0.39 O ATOM 2229 CB MET A 142 -13.269 -9.996 -3.285 1.00 0.42 C ATOM 2230 CG MET A 142 -13.358 -11.455 -3.704 1.00 0.49 C ATOM 2231 SD MET A 142 -14.218 -11.678 -5.274 1.00 0.55 S ATOM 2232 CE MET A 142 -15.832 -11.013 -4.873 1.00 1.68 C ATOM 0 H MET A 142 -13.948 -9.989 -0.451 1.00 0.48 H new ATOM 0 HA MET A 142 -11.499 -10.146 -2.062 1.00 0.41 H new ATOM 0 HB2 MET A 142 -14.277 -9.593 -3.190 1.00 0.42 H new ATOM 0 HB3 MET A 142 -12.772 -9.431 -4.074 1.00 0.42 H new ATOM 0 HG2 MET A 142 -12.352 -11.868 -3.784 1.00 0.49 H new ATOM 0 HG3 MET A 142 -13.874 -12.021 -2.928 1.00 0.49 H new ATOM 0 HE1 MET A 142 -16.567 -11.387 -5.586 1.00 1.68 H new ATOM 0 HE2 MET A 142 -16.113 -11.322 -3.866 1.00 1.68 H new ATOM 0 HE3 MET A 142 -15.800 -9.925 -4.923 1.00 1.68 H new ATOM 2242 N LEU A 143 -11.695 -7.515 -2.399 1.00 0.38 N ATOM 2243 CA LEU A 143 -11.647 -6.090 -2.174 1.00 0.39 C ATOM 2244 C LEU A 143 -13.048 -5.527 -2.354 1.00 0.41 C ATOM 2245 O LEU A 143 -13.396 -4.482 -1.803 1.00 0.50 O ATOM 2246 CB LEU A 143 -10.653 -5.444 -3.146 1.00 0.44 C ATOM 2247 CG LEU A 143 -10.562 -3.918 -3.094 1.00 0.51 C ATOM 2248 CD1 LEU A 143 -11.714 -3.281 -3.853 1.00 1.38 C ATOM 2249 CD2 LEU A 143 -10.541 -3.435 -1.655 1.00 1.56 C ATOM 0 H LEU A 143 -11.091 -7.854 -3.148 1.00 0.38 H new ATOM 0 HA LEU A 143 -11.306 -5.872 -1.162 1.00 0.39 H new ATOM 0 HB2 LEU A 143 -9.663 -5.854 -2.948 1.00 0.44 H new ATOM 0 HB3 LEU A 143 -10.923 -5.738 -4.160 1.00 0.44 H new ATOM 0 HG LEU A 143 -9.631 -3.617 -3.574 1.00 0.51 H new ATOM 0 HD11 LEU A 143 -11.628 -2.196 -3.802 1.00 1.38 H new ATOM 0 HD12 LEU A 143 -11.683 -3.599 -4.895 1.00 1.38 H new ATOM 0 HD13 LEU A 143 -12.659 -3.591 -3.407 1.00 1.38 H new ATOM 0 HD21 LEU A 143 -10.476 -2.347 -1.637 1.00 1.56 H new ATOM 0 HD22 LEU A 143 -11.454 -3.752 -1.151 1.00 1.56 H new ATOM 0 HD23 LEU A 143 -9.678 -3.858 -1.142 1.00 1.56 H new ATOM 2261 N ARG A 144 -13.856 -6.257 -3.117 1.00 0.39 N ATOM 2262 CA ARG A 144 -15.234 -5.864 -3.371 1.00 0.47 C ATOM 2263 C ARG A 144 -16.114 -6.178 -2.168 1.00 0.49 C ATOM 2264 O ARG A 144 -16.844 -5.315 -1.683 1.00 0.56 O ATOM 2265 CB ARG A 144 -15.772 -6.570 -4.617 1.00 0.54 C ATOM 2266 CG ARG A 144 -17.259 -6.350 -4.854 1.00 0.77 C ATOM 2267 CD ARG A 144 -17.630 -4.874 -4.784 1.00 0.88 C ATOM 2268 NE ARG A 144 -19.026 -4.638 -5.153 1.00 1.47 N ATOM 2269 CZ ARG A 144 -20.064 -5.123 -4.474 1.00 2.12 C ATOM 2270 NH1 ARG A 144 -19.870 -5.852 -3.382 1.00 2.68 N ATOM 2271 NH2 ARG A 144 -21.299 -4.872 -4.885 1.00 2.83 N ATOM 0 H ARG A 144 -13.577 -7.127 -3.571 1.00 0.39 H new ATOM 0 HA ARG A 144 -15.254 -4.788 -3.543 1.00 0.47 H new ATOM 0 HB2 ARG A 144 -15.219 -6.220 -5.489 1.00 0.54 H new ATOM 0 HB3 ARG A 144 -15.582 -7.640 -4.528 1.00 0.54 H new ATOM 0 HG2 ARG A 144 -17.534 -6.748 -5.831 1.00 0.77 H new ATOM 0 HG3 ARG A 144 -17.832 -6.905 -4.111 1.00 0.77 H new ATOM 0 HD2 ARG A 144 -17.455 -4.505 -3.773 1.00 0.88 H new ATOM 0 HD3 ARG A 144 -16.979 -4.305 -5.448 1.00 0.88 H new ATOM 0 HE ARG A 144 -19.215 -4.069 -5.978 1.00 1.47 H new ATOM 0 HH11 ARG A 144 -18.922 -6.044 -3.058 1.00 2.68 H new ATOM 0 HH12 ARG A 144 -20.669 -6.221 -2.866 1.00 2.68 H new ATOM 0 HH21 ARG A 144 -21.454 -4.308 -5.721 1.00 2.83 H new ATOM 0 HH22 ARG A 144 -22.095 -5.243 -4.366 1.00 2.83 H new ATOM 2285 N GLN A 145 -16.034 -7.415 -1.686 1.00 0.47 N ATOM 2286 CA GLN A 145 -16.819 -7.833 -0.532 1.00 0.52 C ATOM 2287 C GLN A 145 -16.482 -6.973 0.680 1.00 0.48 C ATOM 2288 O GLN A 145 -17.359 -6.607 1.463 1.00 0.56 O ATOM 2289 CB GLN A 145 -16.567 -9.316 -0.232 1.00 0.57 C ATOM 2290 CG GLN A 145 -17.228 -9.820 1.044 1.00 0.64 C ATOM 2291 CD GLN A 145 -16.392 -9.582 2.293 1.00 0.60 C ATOM 2292 OE1 GLN A 145 -15.236 -8.944 2.132 1.00 0.67 O flip ATOM 2293 NE2 GLN A 145 -16.784 -9.967 3.395 1.00 0.52 N flip ATOM 0 H GLN A 145 -15.435 -8.142 -2.076 1.00 0.47 H new ATOM 0 HA GLN A 145 -17.877 -7.701 -0.760 1.00 0.52 H new ATOM 0 HB2 GLN A 145 -16.926 -9.910 -1.072 1.00 0.57 H new ATOM 0 HB3 GLN A 145 -15.492 -9.482 -0.160 1.00 0.57 H new ATOM 0 HG2 GLN A 145 -18.193 -9.328 1.163 1.00 0.64 H new ATOM 0 HG3 GLN A 145 -17.424 -10.888 0.945 1.00 0.64 H new ATOM 0 HE21 GLN A 145 -17.677 -10.453 3.477 1.00 0.52 H new ATOM 0 HE22 GLN A 145 -16.216 -9.800 4.225 1.00 0.52 H new ATOM 2302 N ILE A 146 -15.201 -6.648 0.821 1.00 0.40 N ATOM 2303 CA ILE A 146 -14.734 -5.828 1.928 1.00 0.40 C ATOM 2304 C ILE A 146 -15.286 -4.413 1.827 1.00 0.43 C ATOM 2305 O ILE A 146 -15.958 -3.936 2.739 1.00 0.53 O ATOM 2306 CB ILE A 146 -13.194 -5.771 1.977 1.00 0.42 C ATOM 2307 CG1 ILE A 146 -12.616 -7.181 2.133 1.00 0.43 C ATOM 2308 CG2 ILE A 146 -12.734 -4.875 3.120 1.00 0.50 C ATOM 2309 CD1 ILE A 146 -11.102 -7.227 2.111 1.00 0.78 C ATOM 0 H ILE A 146 -14.466 -6.943 0.178 1.00 0.40 H new ATOM 0 HA ILE A 146 -15.097 -6.292 2.845 1.00 0.40 H new ATOM 0 HB ILE A 146 -12.829 -5.349 1.040 1.00 0.42 H new ATOM 0 HG12 ILE A 146 -12.970 -7.607 3.072 1.00 0.43 H new ATOM 0 HG13 ILE A 146 -13.001 -7.812 1.332 1.00 0.43 H new ATOM 0 HG21 ILE A 146 -11.645 -4.844 3.142 1.00 0.50 H new ATOM 0 HG22 ILE A 146 -13.122 -3.867 2.971 1.00 0.50 H new ATOM 0 HG23 ILE A 146 -13.105 -5.271 4.065 1.00 0.50 H new ATOM 0 HD11 ILE A 146 -10.768 -8.258 2.227 1.00 0.78 H new ATOM 0 HD12 ILE A 146 -10.740 -6.832 1.162 1.00 0.78 H new ATOM 0 HD13 ILE A 146 -10.708 -6.624 2.929 1.00 0.78 H new ATOM 2321 N LEU A 147 -15.001 -3.746 0.710 1.00 0.42 N ATOM 2322 CA LEU A 147 -15.471 -2.382 0.501 1.00 0.50 C ATOM 2323 C LEU A 147 -16.993 -2.309 0.451 1.00 0.59 C ATOM 2324 O LEU A 147 -17.576 -1.254 0.700 1.00 0.72 O ATOM 2325 CB LEU A 147 -14.864 -1.805 -0.771 1.00 0.55 C ATOM 2326 CG LEU A 147 -13.458 -1.239 -0.591 1.00 0.61 C ATOM 2327 CD1 LEU A 147 -12.853 -0.851 -1.930 1.00 0.76 C ATOM 2328 CD2 LEU A 147 -13.496 -0.042 0.348 1.00 0.62 C ATOM 0 H LEU A 147 -14.450 -4.127 -0.059 1.00 0.42 H new ATOM 0 HA LEU A 147 -15.145 -1.784 1.352 1.00 0.50 H new ATOM 0 HB2 LEU A 147 -14.835 -2.584 -1.533 1.00 0.55 H new ATOM 0 HB3 LEU A 147 -15.516 -1.016 -1.146 1.00 0.55 H new ATOM 0 HG LEU A 147 -12.827 -2.011 -0.151 1.00 0.61 H new ATOM 0 HD11 LEU A 147 -11.851 -0.451 -1.774 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -12.797 -1.730 -2.572 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -13.477 -0.094 -2.405 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -12.489 0.356 0.471 1.00 0.62 H new ATOM 0 HD22 LEU A 147 -14.142 0.729 -0.072 1.00 0.62 H new ATOM 0 HD23 LEU A 147 -13.884 -0.353 1.318 1.00 0.62 H new ATOM 2340 N HIS A 148 -17.632 -3.433 0.153 1.00 0.59 N ATOM 2341 CA HIS A 148 -19.089 -3.481 0.106 1.00 0.73 C ATOM 2342 C HIS A 148 -19.647 -3.114 1.474 1.00 0.79 C ATOM 2343 O HIS A 148 -20.809 -2.726 1.610 1.00 0.90 O ATOM 2344 CB HIS A 148 -19.566 -4.877 -0.303 1.00 0.77 C ATOM 2345 CG HIS A 148 -21.054 -4.995 -0.413 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -21.806 -4.229 -1.278 1.00 1.36 N ATOM 2347 CD2 HIS A 148 -21.932 -5.794 0.239 1.00 1.58 C ATOM 2348 CE1 HIS A 148 -23.081 -4.551 -1.154 1.00 1.28 C ATOM 2349 NE2 HIS A 148 -23.185 -5.498 -0.240 1.00 1.34 N ATOM 0 H HIS A 148 -17.170 -4.317 -0.058 1.00 0.59 H new ATOM 0 HA HIS A 148 -19.448 -2.768 -0.636 1.00 0.73 H new ATOM 0 HB2 HIS A 148 -19.118 -5.138 -1.262 1.00 0.77 H new ATOM 0 HB3 HIS A 148 -19.206 -5.603 0.426 1.00 0.77 H new ATOM 0 HD2 HIS A 148 -21.692 -6.527 0.995 1.00 1.58 H new ATOM 0 HE1 HIS A 148 -23.900 -4.114 -1.707 1.00 1.28 H new ATOM 0 HE2 HIS A 148 -24.054 -5.938 0.061 1.00 1.34 H new ATOM 2358 N THR A 149 -18.794 -3.244 2.484 1.00 0.77 N ATOM 2359 CA THR A 149 -19.157 -2.938 3.859 1.00 0.88 C ATOM 2360 C THR A 149 -18.377 -1.723 4.371 1.00 0.86 C ATOM 2361 O THR A 149 -18.652 -1.206 5.454 1.00 0.94 O ATOM 2362 CB THR A 149 -18.886 -4.166 4.740 1.00 0.90 C ATOM 2363 OG1 THR A 149 -19.714 -5.248 4.352 1.00 1.10 O ATOM 2364 CG2 THR A 149 -19.118 -3.923 6.217 1.00 1.18 C ATOM 0 H THR A 149 -17.832 -3.564 2.371 1.00 0.77 H new ATOM 0 HA THR A 149 -20.218 -2.692 3.901 1.00 0.88 H new ATOM 0 HB THR A 149 -17.830 -4.393 4.593 1.00 0.90 H new ATOM 0 HG1 THR A 149 -19.528 -6.023 4.922 1.00 1.10 H new ATOM 0 HG21 THR A 149 -18.906 -4.836 6.774 1.00 1.18 H new ATOM 0 HG22 THR A 149 -18.459 -3.126 6.562 1.00 1.18 H new ATOM 0 HG23 THR A 149 -20.156 -3.632 6.379 1.00 1.18 H new ATOM 2372 N ARG A 150 -17.400 -1.270 3.586 1.00 0.86 N ATOM 2373 CA ARG A 150 -16.579 -0.122 3.967 1.00 0.93 C ATOM 2374 C ARG A 150 -17.135 1.182 3.412 1.00 0.95 C ATOM 2375 O ARG A 150 -17.541 2.061 4.172 1.00 1.05 O ATOM 2376 CB ARG A 150 -15.150 -0.283 3.449 1.00 0.99 C ATOM 2377 CG ARG A 150 -14.481 -1.582 3.845 1.00 0.96 C ATOM 2378 CD ARG A 150 -14.462 -1.767 5.352 1.00 1.26 C ATOM 2379 NE ARG A 150 -13.978 -0.576 6.044 1.00 2.01 N ATOM 2380 CZ ARG A 150 -13.982 -0.440 7.366 1.00 2.55 C ATOM 2381 NH1 ARG A 150 -14.443 -1.417 8.136 1.00 2.55 N ATOM 2382 NH2 ARG A 150 -13.528 0.675 7.919 1.00 3.55 N ATOM 0 H ARG A 150 -17.158 -1.680 2.684 1.00 0.86 H new ATOM 0 HA ARG A 150 -16.588 -0.084 5.056 1.00 0.93 H new ATOM 0 HB2 ARG A 150 -15.161 -0.212 2.361 1.00 0.99 H new ATOM 0 HB3 ARG A 150 -14.548 0.548 3.817 1.00 0.99 H new ATOM 0 HG2 ARG A 150 -15.006 -2.418 3.382 1.00 0.96 H new ATOM 0 HG3 ARG A 150 -13.460 -1.597 3.464 1.00 0.96 H new ATOM 0 HD2 ARG A 150 -15.467 -2.005 5.701 1.00 1.26 H new ATOM 0 HD3 ARG A 150 -13.827 -2.616 5.605 1.00 1.26 H new ATOM 0 HE ARG A 150 -13.617 0.194 5.482 1.00 2.01 H new ATOM 0 HH11 ARG A 150 -14.796 -2.276 7.714 1.00 2.55 H new ATOM 0 HH12 ARG A 150 -14.445 -1.309 9.150 1.00 2.55 H new ATOM 0 HH21 ARG A 150 -13.175 1.429 7.330 1.00 3.55 H new ATOM 0 HH22 ARG A 150 -13.531 0.779 8.934 1.00 3.55 H new ATOM 2396 N ALA A 151 -17.098 1.285 2.077 1.00 0.94 N ATOM 2397 CA ALA A 151 -17.544 2.466 1.324 1.00 1.04 C ATOM 2398 C ALA A 151 -16.335 3.236 0.800 1.00 1.11 C ATOM 2399 O ALA A 151 -15.931 4.250 1.373 1.00 1.59 O ATOM 2400 CB ALA A 151 -18.447 3.382 2.145 1.00 1.61 C ATOM 0 H ALA A 151 -16.751 0.536 1.478 1.00 0.94 H new ATOM 0 HA ALA A 151 -18.142 2.109 0.485 1.00 1.04 H new ATOM 0 HB1 ALA A 151 -18.746 4.237 1.539 1.00 1.61 H new ATOM 0 HB2 ALA A 151 -19.334 2.832 2.459 1.00 1.61 H new ATOM 0 HB3 ALA A 151 -17.907 3.732 3.025 1.00 1.61 H new ATOM 2406 N PHE A 152 -15.754 2.726 -0.285 1.00 1.09 N ATOM 2407 CA PHE A 152 -14.575 3.329 -0.915 1.00 1.61 C ATOM 2408 C PHE A 152 -14.880 4.670 -1.561 1.00 1.38 C ATOM 2409 O PHE A 152 -14.165 5.136 -2.446 1.00 1.90 O ATOM 2410 CB PHE A 152 -14.020 2.375 -1.963 1.00 2.51 C ATOM 2411 CG PHE A 152 -15.056 1.930 -2.954 1.00 3.40 C ATOM 2412 CD1 PHE A 152 -15.553 2.804 -3.905 1.00 4.44 C ATOM 2413 CD2 PHE A 152 -15.542 0.642 -2.919 1.00 3.42 C ATOM 2414 CE1 PHE A 152 -16.515 2.396 -4.809 1.00 5.41 C ATOM 2415 CE2 PHE A 152 -16.505 0.222 -3.818 1.00 4.40 C ATOM 2416 CZ PHE A 152 -16.991 1.100 -4.765 1.00 5.37 C ATOM 0 H PHE A 152 -16.086 1.883 -0.754 1.00 1.09 H new ATOM 0 HA PHE A 152 -13.840 3.507 -0.130 1.00 1.61 H new ATOM 0 HB2 PHE A 152 -13.202 2.862 -2.494 1.00 2.51 H new ATOM 0 HB3 PHE A 152 -13.601 1.500 -1.465 1.00 2.51 H new ATOM 0 HD1 PHE A 152 -15.184 3.818 -3.941 1.00 4.44 H new ATOM 0 HD2 PHE A 152 -15.166 -0.049 -2.179 1.00 3.42 H new ATOM 0 HE1 PHE A 152 -16.893 3.088 -5.547 1.00 5.41 H new ATOM 0 HE2 PHE A 152 -16.876 -0.791 -3.779 1.00 4.40 H new ATOM 0 HZ PHE A 152 -17.742 0.775 -5.470 1.00 5.37 H new ATOM 2426 N ASP A 153 -15.932 5.283 -1.096 1.00 1.04 N ATOM 2427 CA ASP A 153 -16.356 6.586 -1.592 1.00 1.18 C ATOM 2428 C ASP A 153 -15.477 7.665 -0.980 1.00 1.01 C ATOM 2429 O ASP A 153 -15.417 8.796 -1.461 1.00 1.40 O ATOM 2430 CB ASP A 153 -17.829 6.832 -1.249 1.00 1.46 C ATOM 2431 CG ASP A 153 -18.366 8.120 -1.844 1.00 2.05 C ATOM 2432 OD1 ASP A 153 -17.892 9.206 -1.447 1.00 2.54 O ATOM 2433 OD2 ASP A 153 -19.262 8.044 -2.710 1.00 2.52 O ATOM 0 H ASP A 153 -16.529 4.903 -0.361 1.00 1.04 H new ATOM 0 HA ASP A 153 -16.253 6.613 -2.677 1.00 1.18 H new ATOM 0 HB2 ASP A 153 -18.426 5.994 -1.610 1.00 1.46 H new ATOM 0 HB3 ASP A 153 -17.945 6.862 -0.166 1.00 1.46 H new ATOM 2438 N LYS A 154 -14.790 7.287 0.091 1.00 0.68 N ATOM 2439 CA LYS A 154 -13.897 8.186 0.801 1.00 0.59 C ATOM 2440 C LYS A 154 -12.652 8.497 -0.025 1.00 0.52 C ATOM 2441 O LYS A 154 -12.628 8.295 -1.240 1.00 0.67 O ATOM 2442 CB LYS A 154 -13.479 7.545 2.125 1.00 0.63 C ATOM 2443 CG LYS A 154 -14.646 7.166 3.020 1.00 0.79 C ATOM 2444 CD LYS A 154 -14.172 6.549 4.330 1.00 0.93 C ATOM 2445 CE LYS A 154 -13.390 5.262 4.102 1.00 0.94 C ATOM 2446 NZ LYS A 154 -12.898 4.677 5.378 1.00 1.77 N ATOM 0 H LYS A 154 -14.838 6.349 0.489 1.00 0.68 H new ATOM 0 HA LYS A 154 -14.428 9.120 0.985 1.00 0.59 H new ATOM 0 HB2 LYS A 154 -12.890 6.652 1.915 1.00 0.63 H new ATOM 0 HB3 LYS A 154 -12.830 8.236 2.663 1.00 0.63 H new ATOM 0 HG2 LYS A 154 -15.246 8.051 3.230 1.00 0.79 H new ATOM 0 HG3 LYS A 154 -15.292 6.460 2.497 1.00 0.79 H new ATOM 0 HD2 LYS A 154 -13.546 7.265 4.863 1.00 0.93 H new ATOM 0 HD3 LYS A 154 -15.033 6.343 4.966 1.00 0.93 H new ATOM 0 HE2 LYS A 154 -14.025 4.537 3.592 1.00 0.94 H new ATOM 0 HE3 LYS A 154 -12.544 5.463 3.445 1.00 0.94 H new ATOM 0 HZ1 LYS A 154 -12.615 3.689 5.221 1.00 1.77 H new ATOM 0 HZ2 LYS A 154 -12.079 5.221 5.717 1.00 1.77 H new ATOM 0 HZ3 LYS A 154 -13.655 4.711 6.090 1.00 1.77 H new ATOM 2460 N LEU A 155 -11.615 8.969 0.662 1.00 0.55 N ATOM 2461 CA LEU A 155 -10.340 9.301 0.040 1.00 0.57 C ATOM 2462 C LEU A 155 -10.531 10.104 -1.244 1.00 0.51 C ATOM 2463 O LEU A 155 -10.175 9.651 -2.330 1.00 0.61 O ATOM 2464 CB LEU A 155 -9.538 8.024 -0.252 1.00 0.67 C ATOM 2465 CG LEU A 155 -9.441 7.017 0.906 1.00 0.81 C ATOM 2466 CD1 LEU A 155 -9.177 7.721 2.230 1.00 1.81 C ATOM 2467 CD2 LEU A 155 -10.700 6.169 0.987 1.00 1.95 C ATOM 0 H LEU A 155 -11.637 9.132 1.669 1.00 0.55 H new ATOM 0 HA LEU A 155 -9.784 9.921 0.743 1.00 0.57 H new ATOM 0 HB2 LEU A 155 -9.988 7.522 -1.108 1.00 0.67 H new ATOM 0 HB3 LEU A 155 -8.528 8.311 -0.545 1.00 0.67 H new ATOM 0 HG LEU A 155 -8.596 6.358 0.706 1.00 0.81 H new ATOM 0 HD11 LEU A 155 -9.114 6.982 3.029 1.00 1.81 H new ATOM 0 HD12 LEU A 155 -8.238 8.271 2.169 1.00 1.81 H new ATOM 0 HD13 LEU A 155 -9.990 8.415 2.442 1.00 1.81 H new ATOM 0 HD21 LEU A 155 -10.611 5.463 1.813 1.00 1.95 H new ATOM 0 HD22 LEU A 155 -11.563 6.814 1.152 1.00 1.95 H new ATOM 0 HD23 LEU A 155 -10.830 5.621 0.054 1.00 1.95 H new ATOM 2479 N ASN A 156 -11.084 11.305 -1.109 1.00 0.54 N ATOM 2480 CA ASN A 156 -11.300 12.176 -2.257 1.00 0.54 C ATOM 2481 C ASN A 156 -9.965 12.559 -2.881 1.00 0.53 C ATOM 2482 O ASN A 156 -9.055 12.992 -2.180 1.00 0.75 O ATOM 2483 CB ASN A 156 -12.064 13.433 -1.835 1.00 0.63 C ATOM 2484 CG ASN A 156 -11.341 14.208 -0.749 1.00 1.07 C ATOM 2485 OD1 ASN A 156 -11.088 13.688 0.338 1.00 2.09 O ATOM 2486 ND2 ASN A 156 -11.002 15.458 -1.039 1.00 1.34 N ATOM 0 H ASN A 156 -11.390 11.696 -0.218 1.00 0.54 H new ATOM 0 HA ASN A 156 -11.894 11.639 -2.996 1.00 0.54 H new ATOM 0 HB2 ASN A 156 -12.208 14.076 -2.703 1.00 0.63 H new ATOM 0 HB3 ASN A 156 -13.055 13.151 -1.479 1.00 0.63 H new ATOM 0 HD21 ASN A 156 -10.512 16.027 -0.348 1.00 1.34 H new ATOM 0 HD22 ASN A 156 -11.231 15.850 -1.952 1.00 1.34 H new ATOM 2493 N LYS A 157 -9.847 12.382 -4.197 1.00 0.46 N ATOM 2494 CA LYS A 157 -8.608 12.693 -4.915 1.00 0.46 C ATOM 2495 C LYS A 157 -7.982 14.004 -4.454 1.00 0.48 C ATOM 2496 O LYS A 157 -8.667 14.908 -3.975 1.00 0.64 O ATOM 2497 CB LYS A 157 -8.855 12.747 -6.424 1.00 0.54 C ATOM 2498 CG LYS A 157 -9.042 11.382 -7.067 1.00 0.60 C ATOM 2499 CD LYS A 157 -9.258 11.494 -8.570 1.00 1.33 C ATOM 2500 CE LYS A 157 -10.507 12.295 -8.903 1.00 1.77 C ATOM 2501 NZ LYS A 157 -11.734 11.667 -8.345 1.00 2.30 N ATOM 0 H LYS A 157 -10.596 12.024 -4.790 1.00 0.46 H new ATOM 0 HA LYS A 157 -7.907 11.890 -4.687 1.00 0.46 H new ATOM 0 HB2 LYS A 157 -9.741 13.352 -6.616 1.00 0.54 H new ATOM 0 HB3 LYS A 157 -8.015 13.251 -6.902 1.00 0.54 H new ATOM 0 HG2 LYS A 157 -8.166 10.764 -6.870 1.00 0.60 H new ATOM 0 HG3 LYS A 157 -9.896 10.879 -6.613 1.00 0.60 H new ATOM 0 HD2 LYS A 157 -8.390 11.968 -9.028 1.00 1.33 H new ATOM 0 HD3 LYS A 157 -9.341 10.496 -9.001 1.00 1.33 H new ATOM 0 HE2 LYS A 157 -10.405 13.306 -8.509 1.00 1.77 H new ATOM 0 HE3 LYS A 157 -10.604 12.383 -9.985 1.00 1.77 H new ATOM 0 HZ1 LYS A 157 -12.574 12.132 -8.745 1.00 2.30 H new ATOM 0 HZ2 LYS A 157 -11.748 10.656 -8.589 1.00 2.30 H new ATOM 0 HZ3 LYS A 157 -11.739 11.774 -7.310 1.00 2.30 H new ATOM 2515 N TRP A 158 -6.662 14.086 -4.621 1.00 0.45 N ATOM 2516 CA TRP A 158 -5.885 15.265 -4.253 1.00 0.54 C ATOM 2517 C TRP A 158 -6.590 16.546 -4.694 1.00 0.75 C ATOM 2518 O TRP A 158 -6.888 17.387 -3.820 1.00 1.21 O ATOM 2519 CB TRP A 158 -4.497 15.164 -4.899 1.00 0.62 C ATOM 2520 CG TRP A 158 -3.639 16.388 -4.753 1.00 0.71 C ATOM 2521 CD1 TRP A 158 -3.774 17.571 -5.423 1.00 0.98 C ATOM 2522 CD2 TRP A 158 -2.483 16.528 -3.920 1.00 0.72 C ATOM 2523 NE1 TRP A 158 -2.791 18.447 -5.036 1.00 1.04 N ATOM 2524 CE2 TRP A 158 -1.982 17.829 -4.118 1.00 0.89 C ATOM 2525 CE3 TRP A 158 -1.829 15.685 -3.018 1.00 0.81 C ATOM 2526 CZ2 TRP A 158 -0.857 18.304 -3.449 1.00 1.01 C ATOM 2527 CZ3 TRP A 158 -0.710 16.155 -2.356 1.00 1.03 C ATOM 2528 CH2 TRP A 158 -0.236 17.455 -2.576 1.00 1.07 C ATOM 2529 OXT TRP A 158 -6.838 16.694 -5.909 1.00 1.47 O ATOM 0 H TRP A 158 -6.101 13.332 -5.017 1.00 0.45 H new ATOM 0 HA TRP A 158 -5.784 15.305 -3.168 1.00 0.54 H new ATOM 0 HB2 TRP A 158 -3.970 14.315 -4.463 1.00 0.62 H new ATOM 0 HB3 TRP A 158 -4.621 14.950 -5.961 1.00 0.62 H new ATOM 0 HD1 TRP A 158 -4.542 17.786 -6.151 1.00 0.98 H new ATOM 0 HE1 TRP A 158 -2.680 19.402 -5.376 1.00 1.04 H new ATOM 0 HE3 TRP A 158 -2.191 14.683 -2.841 1.00 0.81 H new ATOM 0 HZ2 TRP A 158 -0.489 19.306 -3.614 1.00 1.01 H new ATOM 0 HZ3 TRP A 158 -0.194 15.511 -1.659 1.00 1.03 H new ATOM 0 HH2 TRP A 158 0.640 17.794 -2.044 1.00 1.07 H new TER 2540 TRP A 158