USER MOD reduce.3.24.130724 H: found=0, std=0, add=1272, rem=0, adj=36 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 40 TYR OH : rot 123:sc= -1.32! USER MOD Set 1.2: A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 ASN : amide:sc= -2.19 K(o=-3.1,f=-8.5!) USER MOD Set 2.2: A 124 MET CE :methyl 169:sc= -0.929 (180deg=-1.66) USER MOD Set 3.1: A 107 ASN :FLIP amide:sc= -0.146 F(o=-10!,f=-0.43) USER MOD Set 3.2: A 112 THR OG1 : rot 45:sc= -0.28! USER MOD Set 4.1: A 48 GLN :FLIP amide:sc= -0.67 F(o=-4.1!,f=-0.25) USER MOD Set 4.2: A 53 TYR OH : rot -46:sc= 0.422 USER MOD Set 5.1: A 13 SER OG : rot 48:sc= 0.681 USER MOD Set 5.2: A 17 GLN :FLIP amide:sc= -2.36! C(o=-2.7!,f=-1.7!) USER MOD Single : A 1 THR N :NH3+ 152:sc= 0.0143 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -120:sc= -0.0333 USER MOD Single : A 10 ASN :FLIP amide:sc= -2 F(o=-4.1!,f=-2) USER MOD Single : A 19 ASN :FLIP amide:sc= -1.92 F(o=-6.7!,f=-1.9) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.041 (180deg=-0.286) USER MOD Single : A 31 SER OG : rot 150:sc= -1.71! USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.194 F(o=-1.6,f=-0.19) USER MOD Single : A 35 THR OG1 : rot 180:sc= -3.4! USER MOD Single : A 37 SER OG : rot 48:sc= 0.707 USER MOD Single : A 38 SER OG : rot -17:sc= 0.906 USER MOD Single : A 42 THR OG1 : rot -168:sc= -0.572! USER MOD Single : A 50 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 62 THR OG1 : rot 160:sc= -1.03 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -1.11 F(o=-3!,f=-1.1) USER MOD Single : A 72 HIS : no HD1:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : A 73 THR OG1 : rot -101:sc= -2.65! USER MOD Single : A 74 GLN : amide:sc= -0.0078 X(o=-0.0078,f=-0.0075) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.525 F(o=-3!,f=-0.53) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.0152 (180deg=-0.194) USER MOD Single : A 93 THR OG1 : rot -160:sc= -2.09! USER MOD Single : A 99 MET CE :methyl -167:sc= -0.277 (180deg=-0.322) USER MOD Single : A 103 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 115 HIS : no HD1:sc= -4.46! C(o=-4.5!,f=-5!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -163:sc= -6.86! (180deg=-8.12!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.034) USER MOD Single : A 142 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 GLN :FLIP amide:sc= -1.18 F(o=-2,f=-1.2) USER MOD Single : A 148 HIS :FLIP no HD1:sc= -0.274 F(o=-1.4,f=-0.27) USER MOD Single : A 149 THR OG1 : rot -86:sc= 0.406 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.552 -10.157 -14.224 1.00 0.82 N ATOM 2 CA THR A 1 2.441 -10.250 -13.241 1.00 0.59 C ATOM 3 C THR A 1 2.086 -8.880 -12.677 1.00 0.52 C ATOM 4 O THR A 1 2.960 -8.117 -12.259 1.00 0.52 O ATOM 5 CB THR A 1 2.862 -11.192 -12.114 1.00 0.64 C ATOM 6 OG1 THR A 1 3.187 -12.472 -12.626 1.00 0.92 O ATOM 7 CG2 THR A 1 1.793 -11.380 -11.059 1.00 0.62 C ATOM 0 H1 THR A 1 4.081 -11.052 -14.235 1.00 0.82 H new ATOM 0 H2 THR A 1 3.163 -9.972 -15.171 1.00 0.82 H new ATOM 0 H3 THR A 1 4.190 -9.381 -13.954 1.00 0.82 H new ATOM 0 HA THR A 1 1.554 -10.638 -13.742 1.00 0.59 H new ATOM 0 HB THR A 1 3.728 -10.718 -11.651 1.00 0.64 H new ATOM 0 HG1 THR A 1 3.456 -13.060 -11.890 1.00 0.92 H new ATOM 0 HG21 THR A 1 2.157 -12.060 -10.289 1.00 0.62 H new ATOM 0 HG22 THR A 1 1.553 -10.417 -10.609 1.00 0.62 H new ATOM 0 HG23 THR A 1 0.898 -11.799 -11.519 1.00 0.62 H new ATOM 17 N VAL A 2 0.792 -8.579 -12.662 1.00 0.54 N ATOM 18 CA VAL A 2 0.314 -7.310 -12.143 1.00 0.54 C ATOM 19 C VAL A 2 0.364 -7.309 -10.622 1.00 0.44 C ATOM 20 O VAL A 2 -0.438 -7.971 -9.963 1.00 0.45 O ATOM 21 CB VAL A 2 -1.129 -7.017 -12.603 1.00 0.65 C ATOM 22 CG1 VAL A 2 -1.588 -5.657 -12.100 1.00 1.49 C ATOM 23 CG2 VAL A 2 -1.231 -7.095 -14.118 1.00 1.42 C ATOM 0 H VAL A 2 0.058 -9.199 -13.004 1.00 0.54 H new ATOM 0 HA VAL A 2 0.968 -6.531 -12.535 1.00 0.54 H new ATOM 0 HB VAL A 2 -1.786 -7.775 -12.177 1.00 0.65 H new ATOM 0 HG11 VAL A 2 -2.608 -5.470 -12.436 1.00 1.49 H new ATOM 0 HG12 VAL A 2 -1.556 -5.642 -11.011 1.00 1.49 H new ATOM 0 HG13 VAL A 2 -0.929 -4.882 -12.493 1.00 1.49 H new ATOM 0 HG21 VAL A 2 -2.256 -6.886 -14.425 1.00 1.42 H new ATOM 0 HG22 VAL A 2 -0.561 -6.361 -14.566 1.00 1.42 H new ATOM 0 HG23 VAL A 2 -0.950 -8.094 -14.451 1.00 1.42 H new ATOM 33 N ALA A 3 1.316 -6.572 -10.069 1.00 0.43 N ATOM 34 CA ALA A 3 1.474 -6.489 -8.626 1.00 0.40 C ATOM 35 C ALA A 3 0.504 -5.476 -8.030 1.00 0.33 C ATOM 36 O ALA A 3 0.510 -4.299 -8.409 1.00 0.37 O ATOM 37 CB ALA A 3 2.906 -6.125 -8.267 1.00 0.48 C ATOM 0 H ALA A 3 1.992 -6.022 -10.600 1.00 0.43 H new ATOM 0 HA ALA A 3 1.247 -7.468 -8.204 1.00 0.40 H new ATOM 0 HB1 ALA A 3 3.006 -6.067 -7.183 1.00 0.48 H new ATOM 0 HB2 ALA A 3 3.583 -6.887 -8.654 1.00 0.48 H new ATOM 0 HB3 ALA A 3 3.157 -5.160 -8.706 1.00 0.48 H new ATOM 43 N TYR A 4 -0.317 -5.937 -7.089 1.00 0.38 N ATOM 44 CA TYR A 4 -1.283 -5.067 -6.433 1.00 0.48 C ATOM 45 C TYR A 4 -0.736 -4.614 -5.097 1.00 0.46 C ATOM 46 O TYR A 4 -0.999 -5.227 -4.066 1.00 0.72 O ATOM 47 CB TYR A 4 -2.628 -5.776 -6.245 1.00 0.79 C ATOM 48 CG TYR A 4 -3.323 -6.135 -7.543 1.00 2.03 C ATOM 49 CD1 TYR A 4 -2.751 -7.025 -8.442 1.00 3.01 C ATOM 50 CD2 TYR A 4 -4.554 -5.580 -7.868 1.00 2.70 C ATOM 51 CE1 TYR A 4 -3.384 -7.353 -9.627 1.00 4.21 C ATOM 52 CE2 TYR A 4 -5.194 -5.902 -9.049 1.00 3.83 C ATOM 53 CZ TYR A 4 -4.606 -6.789 -9.925 1.00 4.50 C ATOM 54 OH TYR A 4 -5.241 -7.112 -11.101 1.00 5.73 O ATOM 0 H TYR A 4 -0.331 -6.905 -6.766 1.00 0.38 H new ATOM 0 HA TYR A 4 -1.451 -4.197 -7.068 1.00 0.48 H new ATOM 0 HB2 TYR A 4 -2.470 -6.686 -5.666 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.286 -5.135 -5.658 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.794 -7.469 -8.212 1.00 3.01 H new ATOM 0 HD2 TYR A 4 -5.019 -4.884 -7.185 1.00 2.70 H new ATOM 0 HE1 TYR A 4 -2.924 -8.047 -10.315 1.00 4.21 H new ATOM 0 HE2 TYR A 4 -6.151 -5.461 -9.285 1.00 3.83 H new ATOM 0 HH TYR A 4 -6.092 -6.629 -11.157 1.00 5.73 H new ATOM 64 N ILE A 5 0.041 -3.542 -5.140 1.00 0.40 N ATOM 65 CA ILE A 5 0.659 -2.984 -3.950 1.00 0.45 C ATOM 66 C ILE A 5 -0.140 -1.812 -3.396 1.00 0.44 C ATOM 67 O ILE A 5 -0.817 -1.093 -4.130 1.00 0.57 O ATOM 68 CB ILE A 5 2.108 -2.528 -4.233 1.00 0.55 C ATOM 69 CG1 ILE A 5 2.312 -2.317 -5.732 1.00 0.52 C ATOM 70 CG2 ILE A 5 3.100 -3.546 -3.693 1.00 0.93 C ATOM 71 CD1 ILE A 5 3.645 -1.699 -6.066 1.00 0.79 C ATOM 0 H ILE A 5 0.259 -3.037 -5.999 1.00 0.40 H new ATOM 0 HA ILE A 5 0.674 -3.779 -3.204 1.00 0.45 H new ATOM 0 HB ILE A 5 2.282 -1.580 -3.725 1.00 0.55 H new ATOM 0 HG12 ILE A 5 2.225 -3.276 -6.243 1.00 0.52 H new ATOM 0 HG13 ILE A 5 1.516 -1.678 -6.115 1.00 0.52 H new ATOM 0 HG21 ILE A 5 4.116 -3.210 -3.901 1.00 0.93 H new ATOM 0 HG22 ILE A 5 2.965 -3.650 -2.616 1.00 0.93 H new ATOM 0 HG23 ILE A 5 2.931 -4.509 -4.174 1.00 0.93 H new ATOM 0 HD11 ILE A 5 3.728 -1.575 -7.146 1.00 0.79 H new ATOM 0 HD12 ILE A 5 3.726 -0.726 -5.582 1.00 0.79 H new ATOM 0 HD13 ILE A 5 4.446 -2.348 -5.712 1.00 0.79 H new ATOM 83 N ALA A 6 -0.051 -1.639 -2.088 1.00 0.48 N ATOM 84 CA ALA A 6 -0.749 -0.562 -1.400 1.00 0.51 C ATOM 85 C ALA A 6 0.243 0.412 -0.776 1.00 0.46 C ATOM 86 O ALA A 6 1.163 0.006 -0.061 1.00 0.58 O ATOM 87 CB ALA A 6 -1.680 -1.129 -0.340 1.00 0.71 C ATOM 0 H ALA A 6 0.503 -2.236 -1.475 1.00 0.48 H new ATOM 0 HA ALA A 6 -1.346 -0.016 -2.131 1.00 0.51 H new ATOM 0 HB1 ALA A 6 -2.195 -0.313 0.166 1.00 0.71 H new ATOM 0 HB2 ALA A 6 -2.413 -1.783 -0.812 1.00 0.71 H new ATOM 0 HB3 ALA A 6 -1.100 -1.698 0.387 1.00 0.71 H new ATOM 93 N ILE A 7 0.054 1.699 -1.060 1.00 0.44 N ATOM 94 CA ILE A 7 0.932 2.742 -0.538 1.00 0.43 C ATOM 95 C ILE A 7 0.417 3.285 0.793 1.00 0.49 C ATOM 96 O ILE A 7 -0.730 3.722 0.893 1.00 0.58 O ATOM 97 CB ILE A 7 1.058 3.909 -1.542 1.00 0.47 C ATOM 98 CG1 ILE A 7 1.567 3.405 -2.895 1.00 1.19 C ATOM 99 CG2 ILE A 7 1.976 4.991 -0.991 1.00 1.41 C ATOM 100 CD1 ILE A 7 2.933 2.760 -2.835 1.00 1.42 C ATOM 0 H ILE A 7 -0.702 2.045 -1.651 1.00 0.44 H new ATOM 0 HA ILE A 7 1.911 2.289 -0.383 1.00 0.43 H new ATOM 0 HB ILE A 7 0.069 4.342 -1.690 1.00 0.47 H new ATOM 0 HG12 ILE A 7 0.853 2.685 -3.295 1.00 1.19 H new ATOM 0 HG13 ILE A 7 1.601 4.241 -3.593 1.00 1.19 H new ATOM 0 HG21 ILE A 7 2.053 5.805 -1.712 1.00 1.41 H new ATOM 0 HG22 ILE A 7 1.568 5.373 -0.055 1.00 1.41 H new ATOM 0 HG23 ILE A 7 2.966 4.571 -0.811 1.00 1.41 H new ATOM 0 HD11 ILE A 7 3.223 2.429 -3.832 1.00 1.42 H new ATOM 0 HD12 ILE A 7 3.661 3.483 -2.466 1.00 1.42 H new ATOM 0 HD13 ILE A 7 2.901 1.902 -2.163 1.00 1.42 H new ATOM 112 N GLY A 8 1.272 3.255 1.816 1.00 0.57 N ATOM 113 CA GLY A 8 0.880 3.747 3.127 1.00 0.69 C ATOM 114 C GLY A 8 1.893 4.708 3.727 1.00 0.68 C ATOM 115 O GLY A 8 3.014 4.316 4.048 1.00 0.77 O ATOM 0 H GLY A 8 2.226 2.900 1.759 1.00 0.57 H new ATOM 0 HA2 GLY A 8 -0.085 4.248 3.048 1.00 0.69 H new ATOM 0 HA3 GLY A 8 0.746 2.901 3.801 1.00 0.69 H new ATOM 119 N SER A 9 1.495 5.969 3.882 1.00 0.70 N ATOM 120 CA SER A 9 2.372 6.993 4.450 1.00 0.75 C ATOM 121 C SER A 9 1.632 7.810 5.512 1.00 0.87 C ATOM 122 O SER A 9 0.409 7.942 5.459 1.00 0.92 O ATOM 123 CB SER A 9 2.881 7.918 3.343 1.00 0.76 C ATOM 124 OG SER A 9 3.603 7.193 2.364 1.00 1.67 O ATOM 0 H SER A 9 0.569 6.308 3.622 1.00 0.70 H new ATOM 0 HA SER A 9 3.220 6.497 4.923 1.00 0.75 H new ATOM 0 HB2 SER A 9 2.039 8.428 2.875 1.00 0.76 H new ATOM 0 HB3 SER A 9 3.520 8.689 3.774 1.00 0.76 H new ATOM 0 HG SER A 9 4.519 7.536 2.312 1.00 1.67 H new ATOM 130 N ASN A 10 2.378 8.360 6.473 1.00 1.03 N ATOM 131 CA ASN A 10 1.782 9.166 7.543 1.00 1.23 C ATOM 132 C ASN A 10 2.854 9.750 8.467 1.00 1.30 C ATOM 133 O ASN A 10 3.041 9.279 9.589 1.00 2.00 O ATOM 134 CB ASN A 10 0.805 8.327 8.371 1.00 1.55 C ATOM 135 CG ASN A 10 0.151 9.116 9.496 1.00 2.18 C ATOM 136 OD1 ASN A 10 0.323 10.435 9.489 1.00 2.66 O flip ATOM 137 ND2 ASN A 10 -0.515 8.545 10.355 1.00 3.02 N flip ATOM 0 H ASN A 10 3.392 8.263 6.533 1.00 1.03 H new ATOM 0 HA ASN A 10 1.245 9.987 7.068 1.00 1.23 H new ATOM 0 HB2 ASN A 10 0.030 7.929 7.716 1.00 1.55 H new ATOM 0 HB3 ASN A 10 1.335 7.473 8.793 1.00 1.55 H new ATOM 0 HD21 ASN A 10 -0.623 7.531 10.326 1.00 3.02 H new ATOM 0 HD22 ASN A 10 -0.960 9.084 11.098 1.00 3.02 H new ATOM 144 N LEU A 11 3.547 10.778 7.997 1.00 1.21 N ATOM 145 CA LEU A 11 4.588 11.421 8.791 1.00 1.31 C ATOM 146 C LEU A 11 4.207 12.879 9.064 1.00 1.49 C ATOM 147 O LEU A 11 3.029 13.227 9.027 1.00 1.96 O ATOM 148 CB LEU A 11 5.930 11.342 8.053 1.00 1.36 C ATOM 149 CG LEU A 11 7.169 11.439 8.943 1.00 1.66 C ATOM 150 CD1 LEU A 11 7.282 10.216 9.838 1.00 2.11 C ATOM 151 CD2 LEU A 11 8.425 11.615 8.100 1.00 2.45 C ATOM 0 H LEU A 11 3.409 11.185 7.072 1.00 1.21 H new ATOM 0 HA LEU A 11 4.686 10.903 9.745 1.00 1.31 H new ATOM 0 HB2 LEU A 11 5.970 10.401 7.504 1.00 1.36 H new ATOM 0 HB3 LEU A 11 5.969 12.144 7.315 1.00 1.36 H new ATOM 0 HG LEU A 11 7.066 12.317 9.581 1.00 1.66 H new ATOM 0 HD11 LEU A 11 8.170 10.304 10.464 1.00 2.11 H new ATOM 0 HD12 LEU A 11 6.398 10.145 10.471 1.00 2.11 H new ATOM 0 HD13 LEU A 11 7.360 9.320 9.222 1.00 2.11 H new ATOM 0 HD21 LEU A 11 9.295 11.682 8.753 1.00 2.45 H new ATOM 0 HD22 LEU A 11 8.537 10.761 7.432 1.00 2.45 H new ATOM 0 HD23 LEU A 11 8.343 12.528 7.511 1.00 2.45 H new ATOM 163 N ALA A 12 5.197 13.735 9.320 1.00 1.57 N ATOM 164 CA ALA A 12 4.927 15.147 9.568 1.00 1.79 C ATOM 165 C ALA A 12 4.373 15.781 8.301 1.00 1.71 C ATOM 166 O ALA A 12 3.689 16.804 8.336 1.00 2.29 O ATOM 167 CB ALA A 12 6.188 15.866 10.022 1.00 2.08 C ATOM 0 H ALA A 12 6.183 13.477 9.360 1.00 1.57 H new ATOM 0 HA ALA A 12 4.190 15.236 10.366 1.00 1.79 H new ATOM 0 HB1 ALA A 12 5.963 16.917 10.201 1.00 2.08 H new ATOM 0 HB2 ALA A 12 6.555 15.412 10.942 1.00 2.08 H new ATOM 0 HB3 ALA A 12 6.952 15.785 9.248 1.00 2.08 H new ATOM 173 N SER A 13 4.673 15.133 7.183 1.00 1.54 N ATOM 174 CA SER A 13 4.221 15.565 5.871 1.00 1.42 C ATOM 175 C SER A 13 4.119 14.346 4.958 1.00 1.10 C ATOM 176 O SER A 13 4.952 14.147 4.073 1.00 1.17 O ATOM 177 CB SER A 13 5.182 16.598 5.280 1.00 1.72 C ATOM 178 OG SER A 13 6.487 16.063 5.141 1.00 2.45 O ATOM 0 H SER A 13 5.241 14.286 7.163 1.00 1.54 H new ATOM 0 HA SER A 13 3.243 16.037 5.963 1.00 1.42 H new ATOM 0 HB2 SER A 13 4.815 16.926 4.307 1.00 1.72 H new ATOM 0 HB3 SER A 13 5.213 17.478 5.922 1.00 1.72 H new ATOM 0 HG SER A 13 6.436 15.183 4.712 1.00 2.45 H new ATOM 184 N PRO A 14 3.101 13.494 5.185 1.00 0.96 N ATOM 185 CA PRO A 14 2.897 12.270 4.407 1.00 0.92 C ATOM 186 C PRO A 14 2.848 12.528 2.907 1.00 0.86 C ATOM 187 O PRO A 14 3.121 11.633 2.111 1.00 0.90 O ATOM 188 CB PRO A 14 1.544 11.733 4.903 1.00 1.18 C ATOM 189 CG PRO A 14 0.932 12.852 5.676 1.00 1.23 C ATOM 190 CD PRO A 14 2.077 13.645 6.228 1.00 1.14 C ATOM 0 HA PRO A 14 3.721 11.570 4.547 1.00 0.92 H new ATOM 0 HB2 PRO A 14 0.908 11.439 4.068 1.00 1.18 H new ATOM 0 HB3 PRO A 14 1.677 10.850 5.529 1.00 1.18 H new ATOM 0 HG2 PRO A 14 0.302 13.470 5.036 1.00 1.23 H new ATOM 0 HG3 PRO A 14 0.298 12.472 6.477 1.00 1.23 H new ATOM 0 HD2 PRO A 14 1.809 14.690 6.385 1.00 1.14 H new ATOM 0 HD3 PRO A 14 2.415 13.255 7.188 1.00 1.14 H new ATOM 198 N LEU A 15 2.501 13.751 2.528 1.00 0.89 N ATOM 199 CA LEU A 15 2.420 14.116 1.118 1.00 0.90 C ATOM 200 C LEU A 15 3.789 14.011 0.447 1.00 0.84 C ATOM 201 O LEU A 15 3.903 13.536 -0.682 1.00 0.84 O ATOM 202 CB LEU A 15 1.868 15.538 0.968 1.00 1.07 C ATOM 203 CG LEU A 15 1.750 16.043 -0.473 1.00 1.33 C ATOM 204 CD1 LEU A 15 0.820 15.151 -1.282 1.00 1.67 C ATOM 205 CD2 LEU A 15 1.258 17.483 -0.491 1.00 1.72 C ATOM 0 H LEU A 15 2.272 14.506 3.174 1.00 0.89 H new ATOM 0 HA LEU A 15 1.743 13.418 0.626 1.00 0.90 H new ATOM 0 HB2 LEU A 15 0.883 15.579 1.432 1.00 1.07 H new ATOM 0 HB3 LEU A 15 2.511 16.221 1.524 1.00 1.07 H new ATOM 0 HG LEU A 15 2.738 16.008 -0.931 1.00 1.33 H new ATOM 0 HD11 LEU A 15 0.751 15.528 -2.302 1.00 1.67 H new ATOM 0 HD12 LEU A 15 1.213 14.134 -1.297 1.00 1.67 H new ATOM 0 HD13 LEU A 15 -0.171 15.151 -0.827 1.00 1.67 H new ATOM 0 HD21 LEU A 15 1.179 17.828 -1.522 1.00 1.72 H new ATOM 0 HD22 LEU A 15 0.280 17.539 -0.014 1.00 1.72 H new ATOM 0 HD23 LEU A 15 1.962 18.115 0.050 1.00 1.72 H new ATOM 217 N GLU A 16 4.823 14.461 1.150 1.00 0.86 N ATOM 218 CA GLU A 16 6.183 14.422 0.620 1.00 0.88 C ATOM 219 C GLU A 16 6.757 13.008 0.658 1.00 0.76 C ATOM 220 O GLU A 16 7.443 12.583 -0.273 1.00 0.75 O ATOM 221 CB GLU A 16 7.087 15.374 1.409 1.00 1.05 C ATOM 222 CG GLU A 16 6.645 16.829 1.347 1.00 1.40 C ATOM 223 CD GLU A 16 6.714 17.412 -0.053 1.00 1.82 C ATOM 224 OE1 GLU A 16 7.150 16.689 -0.974 1.00 2.49 O ATOM 225 OE2 GLU A 16 6.325 18.587 -0.232 1.00 2.16 O ATOM 0 H GLU A 16 4.746 14.857 2.087 1.00 0.86 H new ATOM 0 HA GLU A 16 6.143 14.743 -0.421 1.00 0.88 H new ATOM 0 HB2 GLU A 16 7.113 15.056 2.451 1.00 1.05 H new ATOM 0 HB3 GLU A 16 8.104 15.296 1.026 1.00 1.05 H new ATOM 0 HG2 GLU A 16 5.623 16.908 1.717 1.00 1.40 H new ATOM 0 HG3 GLU A 16 7.272 17.422 2.013 1.00 1.40 H new ATOM 232 N GLN A 17 6.476 12.282 1.737 1.00 0.73 N ATOM 233 CA GLN A 17 6.975 10.918 1.884 1.00 0.71 C ATOM 234 C GLN A 17 6.350 10.009 0.830 1.00 0.57 C ATOM 235 O GLN A 17 7.057 9.374 0.047 1.00 0.51 O ATOM 236 CB GLN A 17 6.671 10.378 3.283 1.00 0.86 C ATOM 237 CG GLN A 17 6.572 11.458 4.354 1.00 1.20 C ATOM 238 CD GLN A 17 7.894 12.151 4.642 1.00 1.35 C ATOM 239 OE1 GLN A 17 8.978 11.664 4.046 1.00 2.20 O flip ATOM 240 NE2 GLN A 17 7.943 13.113 5.407 1.00 1.36 N flip ATOM 0 H GLN A 17 5.909 12.613 2.518 1.00 0.73 H new ATOM 0 HA GLN A 17 8.056 10.934 1.744 1.00 0.71 H new ATOM 0 HB2 GLN A 17 5.733 9.824 3.252 1.00 0.86 H new ATOM 0 HB3 GLN A 17 7.450 9.670 3.566 1.00 0.86 H new ATOM 0 HG2 GLN A 17 5.841 12.203 4.040 1.00 1.20 H new ATOM 0 HG3 GLN A 17 6.197 11.012 5.275 1.00 1.20 H new ATOM 0 HE21 GLN A 17 7.090 13.459 5.846 1.00 1.36 H new ATOM 0 HE22 GLN A 17 8.837 13.564 5.602 1.00 1.36 H new ATOM 249 N VAL A 18 5.023 9.950 0.815 1.00 0.57 N ATOM 250 CA VAL A 18 4.308 9.116 -0.149 1.00 0.53 C ATOM 251 C VAL A 18 4.879 9.291 -1.558 1.00 0.49 C ATOM 252 O VAL A 18 5.132 8.308 -2.254 1.00 0.51 O ATOM 253 CB VAL A 18 2.793 9.421 -0.169 1.00 0.62 C ATOM 254 CG1 VAL A 18 2.525 10.850 -0.620 1.00 1.10 C ATOM 255 CG2 VAL A 18 2.063 8.431 -1.061 1.00 1.25 C ATOM 0 H VAL A 18 4.421 10.467 1.456 1.00 0.57 H new ATOM 0 HA VAL A 18 4.446 8.083 0.172 1.00 0.53 H new ATOM 0 HB VAL A 18 2.415 9.316 0.848 1.00 0.62 H new ATOM 0 HG11 VAL A 18 1.451 11.035 -0.624 1.00 1.10 H new ATOM 0 HG12 VAL A 18 3.010 11.545 0.065 1.00 1.10 H new ATOM 0 HG13 VAL A 18 2.922 10.995 -1.625 1.00 1.10 H new ATOM 0 HG21 VAL A 18 0.997 8.660 -1.063 1.00 1.25 H new ATOM 0 HG22 VAL A 18 2.452 8.501 -2.077 1.00 1.25 H new ATOM 0 HG23 VAL A 18 2.216 7.420 -0.683 1.00 1.25 H new ATOM 265 N ASN A 19 5.090 10.543 -1.966 1.00 0.52 N ATOM 266 CA ASN A 19 5.642 10.836 -3.285 1.00 0.57 C ATOM 267 C ASN A 19 6.972 10.120 -3.480 1.00 0.50 C ATOM 268 O ASN A 19 7.286 9.661 -4.578 1.00 0.52 O ATOM 269 CB ASN A 19 5.828 12.344 -3.468 1.00 0.72 C ATOM 270 CG ASN A 19 4.515 13.110 -3.459 1.00 1.26 C ATOM 271 OD1 ASN A 19 3.403 12.397 -3.310 1.00 1.96 O flip ATOM 272 ND2 ASN A 19 4.502 14.335 -3.586 1.00 1.71 N flip ATOM 0 H ASN A 19 4.887 11.368 -1.401 1.00 0.52 H new ATOM 0 HA ASN A 19 4.937 10.477 -4.035 1.00 0.57 H new ATOM 0 HB2 ASN A 19 6.470 12.724 -2.673 1.00 0.72 H new ATOM 0 HB3 ASN A 19 6.344 12.529 -4.410 1.00 0.72 H new ATOM 0 HD21 ASN A 19 5.378 14.845 -3.698 1.00 1.71 H new ATOM 0 HD22 ASN A 19 3.615 14.839 -3.579 1.00 1.71 H new ATOM 279 N ALA A 20 7.747 10.023 -2.403 1.00 0.49 N ATOM 280 CA ALA A 20 9.040 9.352 -2.447 1.00 0.49 C ATOM 281 C ALA A 20 8.903 7.963 -3.052 1.00 0.42 C ATOM 282 O ALA A 20 9.534 7.650 -4.061 1.00 0.48 O ATOM 283 CB ALA A 20 9.638 9.267 -1.055 1.00 0.57 C ATOM 0 H ALA A 20 7.500 10.402 -1.489 1.00 0.49 H new ATOM 0 HA ALA A 20 9.710 9.936 -3.078 1.00 0.49 H new ATOM 0 HB1 ALA A 20 10.603 8.763 -1.104 1.00 0.57 H new ATOM 0 HB2 ALA A 20 9.773 10.272 -0.655 1.00 0.57 H new ATOM 0 HB3 ALA A 20 8.968 8.705 -0.405 1.00 0.57 H new ATOM 289 N ALA A 21 8.060 7.134 -2.439 1.00 0.41 N ATOM 290 CA ALA A 21 7.834 5.782 -2.943 1.00 0.45 C ATOM 291 C ALA A 21 7.180 5.840 -4.317 1.00 0.36 C ATOM 292 O ALA A 21 7.386 4.962 -5.152 1.00 0.40 O ATOM 293 CB ALA A 21 6.961 4.985 -1.989 1.00 0.64 C ATOM 0 H ALA A 21 7.528 7.371 -1.602 1.00 0.41 H new ATOM 0 HA ALA A 21 8.800 5.283 -3.024 1.00 0.45 H new ATOM 0 HB1 ALA A 21 6.808 3.982 -2.388 1.00 0.64 H new ATOM 0 HB2 ALA A 21 7.450 4.919 -1.017 1.00 0.64 H new ATOM 0 HB3 ALA A 21 5.997 5.482 -1.877 1.00 0.64 H new ATOM 299 N LEU A 22 6.394 6.892 -4.540 1.00 0.40 N ATOM 300 CA LEU A 22 5.708 7.086 -5.812 1.00 0.47 C ATOM 301 C LEU A 22 6.718 7.189 -6.950 1.00 0.44 C ATOM 302 O LEU A 22 6.422 6.834 -8.090 1.00 0.53 O ATOM 303 CB LEU A 22 4.834 8.343 -5.765 1.00 0.64 C ATOM 304 CG LEU A 22 3.600 8.250 -4.863 1.00 1.16 C ATOM 305 CD1 LEU A 22 2.829 9.561 -4.881 1.00 1.74 C ATOM 306 CD2 LEU A 22 2.704 7.099 -5.298 1.00 1.73 C ATOM 0 H LEU A 22 6.217 7.624 -3.852 1.00 0.40 H new ATOM 0 HA LEU A 22 5.066 6.224 -5.991 1.00 0.47 H new ATOM 0 HB2 LEU A 22 5.447 9.179 -5.429 1.00 0.64 H new ATOM 0 HB3 LEU A 22 4.506 8.575 -6.778 1.00 0.64 H new ATOM 0 HG LEU A 22 3.933 8.058 -3.843 1.00 1.16 H new ATOM 0 HD11 LEU A 22 1.955 9.478 -4.235 1.00 1.74 H new ATOM 0 HD12 LEU A 22 3.471 10.365 -4.522 1.00 1.74 H new ATOM 0 HD13 LEU A 22 2.508 9.780 -5.899 1.00 1.74 H new ATOM 0 HD21 LEU A 22 1.833 7.049 -4.645 1.00 1.73 H new ATOM 0 HD22 LEU A 22 2.379 7.260 -6.326 1.00 1.73 H new ATOM 0 HD23 LEU A 22 3.258 6.163 -5.235 1.00 1.73 H new ATOM 318 N LYS A 23 7.916 7.664 -6.623 1.00 0.43 N ATOM 319 CA LYS A 23 8.978 7.799 -7.608 1.00 0.52 C ATOM 320 C LYS A 23 9.630 6.446 -7.858 1.00 0.47 C ATOM 321 O LYS A 23 9.831 6.043 -9.002 1.00 0.56 O ATOM 322 CB LYS A 23 10.027 8.808 -7.132 1.00 0.61 C ATOM 323 CG LYS A 23 9.464 10.197 -6.878 1.00 1.13 C ATOM 324 CD LYS A 23 10.547 11.165 -6.428 1.00 1.51 C ATOM 325 CE LYS A 23 11.588 11.386 -7.513 1.00 2.12 C ATOM 326 NZ LYS A 23 10.988 11.959 -8.750 1.00 2.74 N ATOM 0 H LYS A 23 8.173 7.961 -5.682 1.00 0.43 H new ATOM 0 HA LYS A 23 8.545 8.164 -8.539 1.00 0.52 H new ATOM 0 HB2 LYS A 23 10.485 8.438 -6.215 1.00 0.61 H new ATOM 0 HB3 LYS A 23 10.818 8.877 -7.879 1.00 0.61 H new ATOM 0 HG2 LYS A 23 8.995 10.572 -7.787 1.00 1.13 H new ATOM 0 HG3 LYS A 23 8.686 10.141 -6.117 1.00 1.13 H new ATOM 0 HD2 LYS A 23 10.094 12.119 -6.159 1.00 1.51 H new ATOM 0 HD3 LYS A 23 11.032 10.778 -5.532 1.00 1.51 H new ATOM 0 HE2 LYS A 23 12.363 12.056 -7.141 1.00 2.12 H new ATOM 0 HE3 LYS A 23 12.072 10.439 -7.750 1.00 2.12 H new ATOM 0 HZ1 LYS A 23 11.744 12.313 -9.370 1.00 2.74 H new ATOM 0 HZ2 LYS A 23 10.449 11.222 -9.248 1.00 2.74 H new ATOM 0 HZ3 LYS A 23 10.352 12.742 -8.497 1.00 2.74 H new ATOM 340 N ALA A 24 9.947 5.745 -6.772 1.00 0.40 N ATOM 341 CA ALA A 24 10.563 4.432 -6.862 1.00 0.43 C ATOM 342 C ALA A 24 9.646 3.452 -7.584 1.00 0.38 C ATOM 343 O ALA A 24 10.114 2.619 -8.357 1.00 0.46 O ATOM 344 CB ALA A 24 10.918 3.926 -5.470 1.00 0.51 C ATOM 0 H ALA A 24 9.785 6.069 -5.819 1.00 0.40 H new ATOM 0 HA ALA A 24 11.481 4.515 -7.444 1.00 0.43 H new ATOM 0 HB1 ALA A 24 11.379 2.941 -5.547 1.00 0.51 H new ATOM 0 HB2 ALA A 24 11.616 4.618 -4.999 1.00 0.51 H new ATOM 0 HB3 ALA A 24 10.013 3.856 -4.866 1.00 0.51 H new ATOM 350 N LEU A 25 8.337 3.571 -7.356 1.00 0.43 N ATOM 351 CA LEU A 25 7.377 2.699 -8.024 1.00 0.40 C ATOM 352 C LEU A 25 7.142 3.203 -9.440 1.00 0.37 C ATOM 353 O LEU A 25 6.971 2.418 -10.373 1.00 0.45 O ATOM 354 CB LEU A 25 6.039 2.636 -7.278 1.00 0.47 C ATOM 355 CG LEU A 25 5.084 1.561 -7.784 1.00 0.56 C ATOM 356 CD1 LEU A 25 5.692 0.189 -7.577 1.00 0.96 C ATOM 357 CD2 LEU A 25 3.743 1.664 -7.078 1.00 1.04 C ATOM 0 H LEU A 25 7.924 4.254 -6.722 1.00 0.43 H new ATOM 0 HA LEU A 25 7.795 1.693 -8.039 1.00 0.40 H new ATOM 0 HB2 LEU A 25 6.235 2.461 -6.220 1.00 0.47 H new ATOM 0 HB3 LEU A 25 5.548 3.606 -7.355 1.00 0.47 H new ATOM 0 HG LEU A 25 4.918 1.713 -8.851 1.00 0.56 H new ATOM 0 HD11 LEU A 25 5.003 -0.573 -7.941 1.00 0.96 H new ATOM 0 HD12 LEU A 25 6.631 0.121 -8.126 1.00 0.96 H new ATOM 0 HD13 LEU A 25 5.880 0.031 -6.515 1.00 0.96 H new ATOM 0 HD21 LEU A 25 3.074 0.889 -7.452 1.00 1.04 H new ATOM 0 HD22 LEU A 25 3.886 1.534 -6.005 1.00 1.04 H new ATOM 0 HD23 LEU A 25 3.305 2.644 -7.269 1.00 1.04 H new ATOM 369 N GLY A 26 7.150 4.528 -9.589 1.00 0.43 N ATOM 370 CA GLY A 26 6.951 5.131 -10.891 1.00 0.53 C ATOM 371 C GLY A 26 7.966 4.630 -11.891 1.00 0.56 C ATOM 372 O GLY A 26 7.622 4.308 -13.030 1.00 0.82 O ATOM 0 H GLY A 26 7.291 5.192 -8.828 1.00 0.43 H new ATOM 0 HA2 GLY A 26 5.946 4.907 -11.248 1.00 0.53 H new ATOM 0 HA3 GLY A 26 7.025 6.215 -10.807 1.00 0.53 H new ATOM 376 N ASP A 27 9.220 4.540 -11.458 1.00 0.59 N ATOM 377 CA ASP A 27 10.282 4.047 -12.318 1.00 0.76 C ATOM 378 C ASP A 27 11.086 2.964 -11.608 1.00 0.56 C ATOM 379 O ASP A 27 11.961 3.249 -10.791 1.00 0.81 O ATOM 380 CB ASP A 27 11.199 5.198 -12.730 1.00 1.35 C ATOM 381 CG ASP A 27 12.289 4.759 -13.688 1.00 2.02 C ATOM 382 OD1 ASP A 27 11.952 4.265 -14.785 1.00 2.42 O ATOM 383 OD2 ASP A 27 13.480 4.912 -13.342 1.00 2.61 O ATOM 0 H ASP A 27 9.521 4.802 -10.519 1.00 0.59 H new ATOM 0 HA ASP A 27 9.832 3.614 -13.212 1.00 0.76 H new ATOM 0 HB2 ASP A 27 10.604 5.983 -13.197 1.00 1.35 H new ATOM 0 HB3 ASP A 27 11.655 5.631 -11.840 1.00 1.35 H new ATOM 388 N ILE A 28 10.776 1.721 -11.945 1.00 0.51 N ATOM 389 CA ILE A 28 11.450 0.562 -11.375 1.00 0.51 C ATOM 390 C ILE A 28 12.261 -0.146 -12.449 1.00 0.49 C ATOM 391 O ILE A 28 11.842 -0.186 -13.606 1.00 0.48 O ATOM 392 CB ILE A 28 10.429 -0.436 -10.790 1.00 0.71 C ATOM 393 CG1 ILE A 28 9.320 0.320 -10.054 1.00 0.82 C ATOM 394 CG2 ILE A 28 11.106 -1.426 -9.854 1.00 0.83 C ATOM 395 CD1 ILE A 28 8.328 -0.577 -9.351 1.00 1.26 C ATOM 0 H ILE A 28 10.050 1.486 -12.622 1.00 0.51 H new ATOM 0 HA ILE A 28 12.106 0.913 -10.578 1.00 0.51 H new ATOM 0 HB ILE A 28 9.990 -0.999 -11.614 1.00 0.71 H new ATOM 0 HG12 ILE A 28 9.774 0.988 -9.321 1.00 0.82 H new ATOM 0 HG13 ILE A 28 8.786 0.946 -10.768 1.00 0.82 H new ATOM 0 HG21 ILE A 28 10.363 -2.117 -9.456 1.00 0.83 H new ATOM 0 HG22 ILE A 28 11.865 -1.985 -10.402 1.00 0.83 H new ATOM 0 HG23 ILE A 28 11.576 -0.886 -9.032 1.00 0.83 H new ATOM 0 HD11 ILE A 28 7.574 0.033 -8.854 1.00 1.26 H new ATOM 0 HD12 ILE A 28 7.845 -1.227 -10.080 1.00 1.26 H new ATOM 0 HD13 ILE A 28 8.848 -1.185 -8.611 1.00 1.26 H new ATOM 407 N PRO A 29 13.426 -0.721 -12.094 1.00 0.68 N ATOM 408 CA PRO A 29 14.280 -1.440 -13.035 1.00 0.83 C ATOM 409 C PRO A 29 13.514 -2.109 -14.182 1.00 0.70 C ATOM 410 O PRO A 29 13.970 -2.097 -15.326 1.00 0.88 O ATOM 411 CB PRO A 29 14.904 -2.487 -12.128 1.00 1.07 C ATOM 412 CG PRO A 29 15.111 -1.775 -10.833 1.00 1.14 C ATOM 413 CD PRO A 29 14.025 -0.727 -10.739 1.00 0.87 C ATOM 0 HA PRO A 29 14.981 -0.782 -13.548 1.00 0.83 H new ATOM 0 HB2 PRO A 29 14.249 -3.350 -12.007 1.00 1.07 H new ATOM 0 HB3 PRO A 29 15.846 -2.855 -12.535 1.00 1.07 H new ATOM 0 HG2 PRO A 29 15.053 -2.470 -9.995 1.00 1.14 H new ATOM 0 HG3 PRO A 29 16.098 -1.314 -10.797 1.00 1.14 H new ATOM 0 HD2 PRO A 29 13.288 -0.981 -9.977 1.00 0.87 H new ATOM 0 HD3 PRO A 29 14.432 0.249 -10.477 1.00 0.87 H new ATOM 421 N GLU A 30 12.358 -2.695 -13.874 1.00 0.54 N ATOM 422 CA GLU A 30 11.552 -3.367 -14.893 1.00 0.58 C ATOM 423 C GLU A 30 10.068 -3.022 -14.760 1.00 0.60 C ATOM 424 O GLU A 30 9.393 -2.754 -15.755 1.00 1.01 O ATOM 425 CB GLU A 30 11.734 -4.883 -14.795 1.00 0.62 C ATOM 426 CG GLU A 30 13.180 -5.339 -14.915 1.00 0.63 C ATOM 427 CD GLU A 30 13.792 -5.022 -16.270 1.00 1.39 C ATOM 428 OE1 GLU A 30 13.070 -4.482 -17.134 1.00 2.35 O ATOM 429 OE2 GLU A 30 14.994 -5.306 -16.464 1.00 1.66 O ATOM 0 H GLU A 30 11.961 -2.719 -12.935 1.00 0.54 H new ATOM 0 HA GLU A 30 11.897 -3.016 -15.866 1.00 0.58 H new ATOM 0 HB2 GLU A 30 11.333 -5.226 -13.841 1.00 0.62 H new ATOM 0 HB3 GLU A 30 11.146 -5.361 -15.579 1.00 0.62 H new ATOM 0 HG2 GLU A 30 13.772 -4.861 -14.134 1.00 0.63 H new ATOM 0 HG3 GLU A 30 13.232 -6.414 -14.741 1.00 0.63 H new ATOM 436 N SER A 31 9.565 -3.048 -13.530 1.00 0.36 N ATOM 437 CA SER A 31 8.157 -2.757 -13.259 1.00 0.34 C ATOM 438 C SER A 31 7.741 -1.402 -13.830 1.00 0.36 C ATOM 439 O SER A 31 8.588 -0.569 -14.153 1.00 0.46 O ATOM 440 CB SER A 31 7.906 -2.773 -11.753 1.00 0.37 C ATOM 441 OG SER A 31 8.396 -3.966 -11.166 1.00 0.83 O ATOM 0 H SER A 31 10.113 -3.269 -12.699 1.00 0.36 H new ATOM 0 HA SER A 31 7.559 -3.528 -13.745 1.00 0.34 H new ATOM 0 HB2 SER A 31 8.390 -1.912 -11.292 1.00 0.37 H new ATOM 0 HB3 SER A 31 6.837 -2.681 -11.558 1.00 0.37 H new ATOM 0 HG SER A 31 8.672 -3.787 -10.243 1.00 0.83 H new ATOM 447 N HIS A 32 6.429 -1.185 -13.942 1.00 0.33 N ATOM 448 CA HIS A 32 5.909 0.078 -14.465 1.00 0.39 C ATOM 449 C HIS A 32 4.449 0.269 -14.076 1.00 0.34 C ATOM 450 O HIS A 32 3.610 -0.598 -14.323 1.00 0.36 O ATOM 451 CB HIS A 32 6.062 0.131 -15.990 1.00 0.51 C ATOM 452 CG HIS A 32 5.591 1.410 -16.624 1.00 0.94 C ATOM 453 ND1 HIS A 32 5.136 2.566 -16.080 1.00 1.83 N flip ATOM 454 CD2 HIS A 32 5.570 1.599 -17.990 1.00 1.60 C flip ATOM 455 CE1 HIS A 32 4.854 3.421 -17.117 1.00 2.29 C flip ATOM 456 NE2 HIS A 32 5.125 2.814 -18.257 1.00 2.07 N flip ATOM 0 H HIS A 32 5.713 -1.862 -13.680 1.00 0.33 H new ATOM 0 HA HIS A 32 6.489 0.889 -14.025 1.00 0.39 H new ATOM 0 HB2 HIS A 32 7.112 -0.018 -16.242 1.00 0.51 H new ATOM 0 HB3 HIS A 32 5.508 -0.700 -16.426 1.00 0.51 H new ATOM 0 HD2 HIS A 32 5.870 0.868 -18.726 1.00 1.60 H new ATOM 0 HE1 HIS A 32 4.473 4.426 -17.016 1.00 2.29 H new ATOM 0 HE2 HIS A 32 5.010 3.215 -19.188 1.00 2.07 H new ATOM 465 N ILE A 33 4.164 1.416 -13.470 1.00 0.36 N ATOM 466 CA ILE A 33 2.817 1.757 -13.035 1.00 0.36 C ATOM 467 C ILE A 33 1.773 1.437 -14.101 1.00 0.38 C ATOM 468 O ILE A 33 1.979 1.690 -15.288 1.00 0.50 O ATOM 469 CB ILE A 33 2.734 3.243 -12.650 1.00 0.53 C ATOM 470 CG1 ILE A 33 3.378 3.464 -11.278 1.00 0.58 C ATOM 471 CG2 ILE A 33 1.291 3.736 -12.659 1.00 0.93 C ATOM 472 CD1 ILE A 33 2.823 2.567 -10.191 1.00 1.05 C ATOM 0 H ILE A 33 4.860 2.134 -13.267 1.00 0.36 H new ATOM 0 HA ILE A 33 2.598 1.145 -12.160 1.00 0.36 H new ATOM 0 HB ILE A 33 3.282 3.823 -13.393 1.00 0.53 H new ATOM 0 HG12 ILE A 33 4.452 3.298 -11.360 1.00 0.58 H new ATOM 0 HG13 ILE A 33 3.238 4.504 -10.984 1.00 0.58 H new ATOM 0 HG21 ILE A 33 1.265 4.790 -12.383 1.00 0.93 H new ATOM 0 HG22 ILE A 33 0.870 3.612 -13.657 1.00 0.93 H new ATOM 0 HG23 ILE A 33 0.705 3.159 -11.944 1.00 0.93 H new ATOM 0 HD11 ILE A 33 3.328 2.782 -9.249 1.00 1.05 H new ATOM 0 HD12 ILE A 33 1.754 2.749 -10.080 1.00 1.05 H new ATOM 0 HD13 ILE A 33 2.987 1.524 -10.461 1.00 1.05 H new ATOM 484 N LEU A 34 0.648 0.878 -13.660 1.00 0.38 N ATOM 485 CA LEU A 34 -0.442 0.516 -14.558 1.00 0.50 C ATOM 486 C LEU A 34 -1.730 1.214 -14.122 1.00 0.46 C ATOM 487 O LEU A 34 -2.326 1.977 -14.883 1.00 0.60 O ATOM 488 CB LEU A 34 -0.629 -1.008 -14.556 1.00 0.65 C ATOM 489 CG LEU A 34 -1.352 -1.601 -15.772 1.00 1.01 C ATOM 490 CD1 LEU A 34 -2.776 -1.080 -15.879 1.00 1.69 C ATOM 491 CD2 LEU A 34 -0.578 -1.308 -17.048 1.00 1.34 C ATOM 0 H LEU A 34 0.469 0.665 -12.679 1.00 0.38 H new ATOM 0 HA LEU A 34 -0.199 0.839 -15.570 1.00 0.50 H new ATOM 0 HB2 LEU A 34 0.353 -1.474 -14.480 1.00 0.65 H new ATOM 0 HB3 LEU A 34 -1.183 -1.284 -13.659 1.00 0.65 H new ATOM 0 HG LEU A 34 -1.403 -2.681 -15.635 1.00 1.01 H new ATOM 0 HD11 LEU A 34 -3.260 -1.520 -16.751 1.00 1.69 H new ATOM 0 HD12 LEU A 34 -3.331 -1.351 -14.981 1.00 1.69 H new ATOM 0 HD13 LEU A 34 -2.760 0.005 -15.982 1.00 1.69 H new ATOM 0 HD21 LEU A 34 -1.106 -1.736 -17.900 1.00 1.34 H new ATOM 0 HD22 LEU A 34 -0.490 -0.230 -17.180 1.00 1.34 H new ATOM 0 HD23 LEU A 34 0.417 -1.748 -16.979 1.00 1.34 H new ATOM 503 N THR A 35 -2.140 0.955 -12.883 1.00 0.46 N ATOM 504 CA THR A 35 -3.344 1.559 -12.322 1.00 0.43 C ATOM 505 C THR A 35 -3.033 2.201 -10.973 1.00 0.43 C ATOM 506 O THR A 35 -2.826 1.506 -9.980 1.00 0.52 O ATOM 507 CB THR A 35 -4.449 0.514 -12.164 1.00 0.49 C ATOM 508 OG1 THR A 35 -3.980 -0.606 -11.437 1.00 0.68 O ATOM 509 CG2 THR A 35 -4.995 0.013 -13.485 1.00 0.72 C ATOM 0 H THR A 35 -1.652 0.326 -12.245 1.00 0.46 H new ATOM 0 HA THR A 35 -3.693 2.330 -13.009 1.00 0.43 H new ATOM 0 HB THR A 35 -5.252 1.022 -11.629 1.00 0.49 H new ATOM 0 HG1 THR A 35 -4.702 -1.262 -11.345 1.00 0.68 H new ATOM 0 HG21 THR A 35 -5.775 -0.725 -13.300 1.00 0.72 H new ATOM 0 HG22 THR A 35 -5.413 0.849 -14.047 1.00 0.72 H new ATOM 0 HG23 THR A 35 -4.191 -0.445 -14.061 1.00 0.72 H new ATOM 517 N VAL A 36 -2.995 3.528 -10.947 1.00 0.40 N ATOM 518 CA VAL A 36 -2.694 4.260 -9.721 1.00 0.46 C ATOM 519 C VAL A 36 -3.512 5.538 -9.622 1.00 0.48 C ATOM 520 O VAL A 36 -3.346 6.451 -10.432 1.00 0.56 O ATOM 521 CB VAL A 36 -1.199 4.624 -9.637 1.00 0.58 C ATOM 522 CG1 VAL A 36 -0.918 5.476 -8.408 1.00 1.32 C ATOM 523 CG2 VAL A 36 -0.346 3.368 -9.626 1.00 1.45 C ATOM 0 H VAL A 36 -3.169 4.119 -11.760 1.00 0.40 H new ATOM 0 HA VAL A 36 -2.953 3.600 -8.894 1.00 0.46 H new ATOM 0 HB VAL A 36 -0.939 5.208 -10.520 1.00 0.58 H new ATOM 0 HG11 VAL A 36 0.144 5.721 -8.370 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -1.501 6.396 -8.462 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -1.195 4.923 -7.511 1.00 1.32 H new ATOM 0 HG21 VAL A 36 0.707 3.644 -9.566 1.00 1.45 H new ATOM 0 HG22 VAL A 36 -0.610 2.756 -8.763 1.00 1.45 H new ATOM 0 HG23 VAL A 36 -0.521 2.801 -10.540 1.00 1.45 H new ATOM 533 N SER A 37 -4.387 5.599 -8.619 1.00 0.45 N ATOM 534 CA SER A 37 -5.232 6.777 -8.407 1.00 0.54 C ATOM 535 C SER A 37 -6.272 6.519 -7.326 1.00 0.57 C ATOM 536 O SER A 37 -7.435 6.247 -7.626 1.00 1.08 O ATOM 537 CB SER A 37 -5.938 7.176 -9.706 1.00 0.65 C ATOM 538 OG SER A 37 -6.738 6.116 -10.201 1.00 1.28 O ATOM 0 H SER A 37 -4.530 4.850 -7.942 1.00 0.45 H new ATOM 0 HA SER A 37 -4.584 7.591 -8.084 1.00 0.54 H new ATOM 0 HB2 SER A 37 -6.560 8.053 -9.530 1.00 0.65 H new ATOM 0 HB3 SER A 37 -5.197 7.456 -10.455 1.00 0.65 H new ATOM 0 HG SER A 37 -7.290 5.756 -9.475 1.00 1.28 H new ATOM 544 N SER A 38 -5.853 6.607 -6.067 1.00 0.59 N ATOM 545 CA SER A 38 -6.760 6.374 -4.949 1.00 0.59 C ATOM 546 C SER A 38 -6.169 6.879 -3.633 1.00 0.52 C ATOM 547 O SER A 38 -5.795 6.087 -2.771 1.00 0.63 O ATOM 548 CB SER A 38 -7.067 4.881 -4.837 1.00 0.78 C ATOM 549 OG SER A 38 -7.763 4.407 -5.975 1.00 1.68 O ATOM 0 H SER A 38 -4.897 6.837 -5.797 1.00 0.59 H new ATOM 0 HA SER A 38 -7.679 6.928 -5.140 1.00 0.59 H new ATOM 0 HB2 SER A 38 -6.137 4.325 -4.721 1.00 0.78 H new ATOM 0 HB3 SER A 38 -7.662 4.697 -3.943 1.00 0.78 H new ATOM 0 HG SER A 38 -8.141 5.166 -6.467 1.00 1.68 H new ATOM 555 N PHE A 39 -6.090 8.199 -3.483 1.00 0.44 N ATOM 556 CA PHE A 39 -5.540 8.797 -2.269 1.00 0.50 C ATOM 557 C PHE A 39 -6.619 8.955 -1.197 1.00 0.57 C ATOM 558 O PHE A 39 -7.159 10.045 -1.000 1.00 0.75 O ATOM 559 CB PHE A 39 -4.904 10.157 -2.576 1.00 0.59 C ATOM 560 CG PHE A 39 -3.773 10.097 -3.569 1.00 0.59 C ATOM 561 CD1 PHE A 39 -3.976 9.570 -4.835 1.00 0.65 C ATOM 562 CD2 PHE A 39 -2.508 10.560 -3.237 1.00 0.83 C ATOM 563 CE1 PHE A 39 -2.941 9.507 -5.749 1.00 0.98 C ATOM 564 CE2 PHE A 39 -1.470 10.499 -4.146 1.00 1.19 C ATOM 565 CZ PHE A 39 -1.682 10.002 -5.401 1.00 1.26 C ATOM 0 H PHE A 39 -6.399 8.873 -4.184 1.00 0.44 H new ATOM 0 HA PHE A 39 -4.770 8.126 -1.888 1.00 0.50 H new ATOM 0 HB2 PHE A 39 -5.673 10.828 -2.958 1.00 0.59 H new ATOM 0 HB3 PHE A 39 -4.535 10.591 -1.647 1.00 0.59 H new ATOM 0 HD1 PHE A 39 -4.954 9.204 -5.110 1.00 0.65 H new ATOM 0 HD2 PHE A 39 -2.333 10.974 -2.255 1.00 0.83 H new ATOM 0 HE1 PHE A 39 -3.105 9.078 -6.726 1.00 0.98 H new ATOM 0 HE2 PHE A 39 -0.487 10.846 -3.864 1.00 1.19 H new ATOM 0 HZ PHE A 39 -0.878 9.992 -6.122 1.00 1.26 H new ATOM 575 N TYR A 40 -6.932 7.863 -0.504 1.00 0.65 N ATOM 576 CA TYR A 40 -7.950 7.891 0.543 1.00 0.81 C ATOM 577 C TYR A 40 -7.346 8.181 1.910 1.00 0.71 C ATOM 578 O TYR A 40 -6.129 8.148 2.090 1.00 0.71 O ATOM 579 CB TYR A 40 -8.708 6.564 0.599 1.00 1.01 C ATOM 580 CG TYR A 40 -9.505 6.264 -0.646 1.00 1.49 C ATOM 581 CD1 TYR A 40 -8.895 5.745 -1.779 1.00 1.73 C ATOM 582 CD2 TYR A 40 -10.871 6.503 -0.686 1.00 2.39 C ATOM 583 CE1 TYR A 40 -9.630 5.473 -2.917 1.00 2.61 C ATOM 584 CE2 TYR A 40 -11.608 6.237 -1.820 1.00 3.35 C ATOM 585 CZ TYR A 40 -10.983 5.719 -2.932 1.00 3.41 C ATOM 586 OH TYR A 40 -11.714 5.445 -4.065 1.00 4.43 O ATOM 0 H TYR A 40 -6.498 6.951 -0.647 1.00 0.65 H new ATOM 0 HA TYR A 40 -8.641 8.696 0.291 1.00 0.81 H new ATOM 0 HB2 TYR A 40 -7.995 5.756 0.766 1.00 1.01 H new ATOM 0 HB3 TYR A 40 -9.382 6.577 1.456 1.00 1.01 H new ATOM 0 HD1 TYR A 40 -7.833 5.551 -1.771 1.00 1.73 H new ATOM 0 HD2 TYR A 40 -11.365 6.904 0.186 1.00 2.39 H new ATOM 0 HE1 TYR A 40 -9.143 5.068 -3.792 1.00 2.61 H new ATOM 0 HE2 TYR A 40 -12.670 6.434 -1.836 1.00 3.35 H new ATOM 0 HH TYR A 40 -12.438 4.823 -3.844 1.00 4.43 H new ATOM 596 N ARG A 41 -8.220 8.462 2.873 1.00 0.70 N ATOM 597 CA ARG A 41 -7.800 8.758 4.240 1.00 0.67 C ATOM 598 C ARG A 41 -8.335 7.710 5.212 1.00 0.64 C ATOM 599 O ARG A 41 -9.417 7.158 5.009 1.00 0.70 O ATOM 600 CB ARG A 41 -8.298 10.142 4.658 1.00 0.79 C ATOM 601 CG ARG A 41 -7.908 10.520 6.080 1.00 0.95 C ATOM 602 CD ARG A 41 -8.432 11.896 6.461 1.00 1.52 C ATOM 603 NE ARG A 41 -8.087 12.245 7.837 1.00 2.11 N ATOM 604 CZ ARG A 41 -8.419 13.396 8.415 1.00 2.49 C ATOM 605 NH1 ARG A 41 -9.098 14.312 7.739 1.00 2.37 N ATOM 606 NH2 ARG A 41 -8.069 13.632 9.673 1.00 3.51 N ATOM 0 H ARG A 41 -9.230 8.491 2.730 1.00 0.70 H new ATOM 0 HA ARG A 41 -6.711 8.740 4.269 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -7.899 10.887 3.969 1.00 0.79 H new ATOM 0 HB3 ARG A 41 -9.384 10.172 4.567 1.00 0.79 H new ATOM 0 HG2 ARG A 41 -8.300 9.777 6.774 1.00 0.95 H new ATOM 0 HG3 ARG A 41 -6.822 10.505 6.176 1.00 0.95 H new ATOM 0 HD2 ARG A 41 -8.020 12.643 5.782 1.00 1.52 H new ATOM 0 HD3 ARG A 41 -9.515 11.919 6.341 1.00 1.52 H new ATOM 0 HE ARG A 41 -7.561 11.566 8.387 1.00 2.11 H new ATOM 0 HH11 ARG A 41 -9.368 14.136 6.771 1.00 2.37 H new ATOM 0 HH12 ARG A 41 -9.350 15.193 8.186 1.00 2.37 H new ATOM 0 HH21 ARG A 41 -7.545 12.931 10.197 1.00 3.51 H new ATOM 0 HH22 ARG A 41 -8.324 14.515 10.116 1.00 3.51 H new ATOM 620 N THR A 42 -7.581 7.454 6.277 1.00 0.80 N ATOM 621 CA THR A 42 -7.994 6.484 7.287 1.00 0.97 C ATOM 622 C THR A 42 -7.368 6.816 8.644 1.00 1.03 C ATOM 623 O THR A 42 -6.265 7.359 8.712 1.00 1.12 O ATOM 624 CB THR A 42 -7.605 5.063 6.863 1.00 1.17 C ATOM 625 OG1 THR A 42 -8.273 4.105 7.663 1.00 1.44 O ATOM 626 CG2 THR A 42 -6.124 4.787 6.981 1.00 1.32 C ATOM 0 H THR A 42 -6.684 7.903 6.463 1.00 0.80 H new ATOM 0 HA THR A 42 -9.079 6.536 7.381 1.00 0.97 H new ATOM 0 HB THR A 42 -7.895 4.986 5.815 1.00 1.17 H new ATOM 0 HG1 THR A 42 -7.875 3.222 7.516 1.00 1.44 H new ATOM 0 HG21 THR A 42 -5.918 3.764 6.665 1.00 1.32 H new ATOM 0 HG22 THR A 42 -5.573 5.481 6.346 1.00 1.32 H new ATOM 0 HG23 THR A 42 -5.811 4.917 8.017 1.00 1.32 H new ATOM 634 N PRO A 43 -8.074 6.493 9.747 1.00 1.12 N ATOM 635 CA PRO A 43 -7.589 6.756 11.106 1.00 1.31 C ATOM 636 C PRO A 43 -6.579 5.710 11.579 1.00 1.50 C ATOM 637 O PRO A 43 -6.527 4.602 11.046 1.00 1.71 O ATOM 638 CB PRO A 43 -8.866 6.677 11.939 1.00 1.48 C ATOM 639 CG PRO A 43 -9.714 5.684 11.223 1.00 1.38 C ATOM 640 CD PRO A 43 -9.404 5.849 9.756 1.00 1.15 C ATOM 0 HA PRO A 43 -7.062 7.707 11.180 1.00 1.31 H new ATOM 0 HB2 PRO A 43 -8.656 6.357 12.960 1.00 1.48 H new ATOM 0 HB3 PRO A 43 -9.359 7.647 12.004 1.00 1.48 H new ATOM 0 HG2 PRO A 43 -9.493 4.670 11.556 1.00 1.38 H new ATOM 0 HG3 PRO A 43 -10.771 5.861 11.420 1.00 1.38 H new ATOM 0 HD2 PRO A 43 -9.387 4.889 9.240 1.00 1.15 H new ATOM 0 HD3 PRO A 43 -10.151 6.466 9.256 1.00 1.15 H new ATOM 648 N PRO A 44 -5.760 6.048 12.596 1.00 1.55 N ATOM 649 CA PRO A 44 -4.755 5.127 13.143 1.00 1.80 C ATOM 650 C PRO A 44 -5.392 3.897 13.772 1.00 2.15 C ATOM 651 O PRO A 44 -4.997 2.767 13.488 1.00 2.77 O ATOM 652 CB PRO A 44 -4.040 5.963 14.211 1.00 1.80 C ATOM 653 CG PRO A 44 -5.005 7.040 14.564 1.00 1.81 C ATOM 654 CD PRO A 44 -5.758 7.342 13.299 1.00 1.54 C ATOM 0 HA PRO A 44 -4.088 4.746 12.370 1.00 1.80 H new ATOM 0 HB2 PRO A 44 -3.787 5.358 15.082 1.00 1.80 H new ATOM 0 HB3 PRO A 44 -3.107 6.378 13.829 1.00 1.80 H new ATOM 0 HG2 PRO A 44 -5.682 6.716 15.355 1.00 1.81 H new ATOM 0 HG3 PRO A 44 -4.486 7.925 14.932 1.00 1.81 H new ATOM 0 HD2 PRO A 44 -6.770 7.690 13.505 1.00 1.54 H new ATOM 0 HD3 PRO A 44 -5.267 8.119 12.713 1.00 1.54 H new ATOM 662 N LEU A 45 -6.389 4.140 14.623 1.00 2.16 N ATOM 663 CA LEU A 45 -7.122 3.078 15.310 1.00 2.52 C ATOM 664 C LEU A 45 -6.201 1.971 15.832 1.00 2.69 C ATOM 665 O LEU A 45 -6.637 0.835 16.015 1.00 3.09 O ATOM 666 CB LEU A 45 -8.211 2.497 14.389 1.00 2.75 C ATOM 667 CG LEU A 45 -7.743 1.948 13.033 1.00 3.05 C ATOM 668 CD1 LEU A 45 -7.085 0.585 13.186 1.00 3.66 C ATOM 669 CD2 LEU A 45 -8.912 1.868 12.063 1.00 3.32 C ATOM 0 H LEU A 45 -6.711 5.080 14.855 1.00 2.16 H new ATOM 0 HA LEU A 45 -7.597 3.526 16.183 1.00 2.52 H new ATOM 0 HB2 LEU A 45 -8.718 1.695 14.925 1.00 2.75 H new ATOM 0 HB3 LEU A 45 -8.952 3.275 14.204 1.00 2.75 H new ATOM 0 HG LEU A 45 -6.998 2.635 12.631 1.00 3.05 H new ATOM 0 HD11 LEU A 45 -6.765 0.224 12.209 1.00 3.66 H new ATOM 0 HD12 LEU A 45 -6.219 0.671 13.843 1.00 3.66 H new ATOM 0 HD13 LEU A 45 -7.799 -0.117 13.616 1.00 3.66 H new ATOM 0 HD21 LEU A 45 -8.565 1.477 11.106 1.00 3.32 H new ATOM 0 HD22 LEU A 45 -9.677 1.206 12.469 1.00 3.32 H new ATOM 0 HD23 LEU A 45 -9.333 2.863 11.917 1.00 3.32 H new ATOM 681 N GLY A 46 -4.934 2.302 16.086 1.00 2.52 N ATOM 682 CA GLY A 46 -4.012 1.300 16.591 1.00 2.73 C ATOM 683 C GLY A 46 -2.609 1.835 16.820 1.00 2.68 C ATOM 684 O GLY A 46 -2.228 2.099 17.961 1.00 2.81 O ATOM 0 H GLY A 46 -4.536 3.232 15.953 1.00 2.52 H new ATOM 0 HA2 GLY A 46 -4.398 0.901 17.529 1.00 2.73 H new ATOM 0 HA3 GLY A 46 -3.966 0.470 15.886 1.00 2.73 H new ATOM 688 N PRO A 47 -1.808 1.994 15.746 1.00 2.59 N ATOM 689 CA PRO A 47 -0.434 2.494 15.843 1.00 2.65 C ATOM 690 C PRO A 47 -0.281 3.616 16.865 1.00 2.60 C ATOM 691 O PRO A 47 0.411 3.459 17.870 1.00 2.86 O ATOM 692 CB PRO A 47 -0.164 3.000 14.430 1.00 2.59 C ATOM 693 CG PRO A 47 -0.964 2.098 13.553 1.00 2.63 C ATOM 694 CD PRO A 47 -2.180 1.693 14.350 1.00 2.54 C ATOM 0 HA PRO A 47 0.263 1.728 16.184 1.00 2.65 H new ATOM 0 HB2 PRO A 47 -0.470 4.040 14.315 1.00 2.59 H new ATOM 0 HB3 PRO A 47 0.897 2.952 14.187 1.00 2.59 H new ATOM 0 HG2 PRO A 47 -1.254 2.608 12.634 1.00 2.63 H new ATOM 0 HG3 PRO A 47 -0.382 1.224 13.262 1.00 2.63 H new ATOM 0 HD2 PRO A 47 -3.063 2.253 14.043 1.00 2.54 H new ATOM 0 HD3 PRO A 47 -2.410 0.636 14.217 1.00 2.54 H new ATOM 702 N GLN A 48 -0.934 4.746 16.605 1.00 2.39 N ATOM 703 CA GLN A 48 -0.869 5.887 17.510 1.00 2.50 C ATOM 704 C GLN A 48 -2.235 6.552 17.626 1.00 2.40 C ATOM 705 O GLN A 48 -3.267 5.928 17.382 1.00 2.57 O ATOM 706 CB GLN A 48 0.139 6.919 17.005 1.00 2.56 C ATOM 707 CG GLN A 48 1.363 6.321 16.332 1.00 2.73 C ATOM 708 CD GLN A 48 1.133 6.014 14.862 1.00 2.73 C ATOM 709 OE1 GLN A 48 -0.001 6.464 14.325 1.00 3.26 O flip ATOM 710 NE2 GLN A 48 1.973 5.395 14.208 1.00 2.45 N flip ATOM 0 H GLN A 48 -1.512 4.894 15.778 1.00 2.39 H new ATOM 0 HA GLN A 48 -0.555 5.520 18.487 1.00 2.50 H new ATOM 0 HB2 GLN A 48 -0.361 7.583 16.300 1.00 2.56 H new ATOM 0 HB3 GLN A 48 0.464 7.533 17.845 1.00 2.56 H new ATOM 0 HG2 GLN A 48 2.200 7.013 16.428 1.00 2.73 H new ATOM 0 HG3 GLN A 48 1.646 5.405 16.850 1.00 2.73 H new ATOM 0 HE21 GLN A 48 2.828 5.067 14.657 1.00 2.45 H new ATOM 0 HE22 GLN A 48 1.813 5.210 13.218 1.00 2.45 H new ATOM 719 N ASP A 49 -2.224 7.833 17.978 1.00 2.45 N ATOM 720 CA ASP A 49 -3.450 8.606 18.102 1.00 2.47 C ATOM 721 C ASP A 49 -3.487 9.692 17.032 1.00 2.38 C ATOM 722 O ASP A 49 -4.408 10.507 16.989 1.00 2.57 O ATOM 723 CB ASP A 49 -3.552 9.231 19.497 1.00 2.79 C ATOM 724 CG ASP A 49 -2.374 10.130 19.825 1.00 2.83 C ATOM 725 OD1 ASP A 49 -1.476 10.265 18.968 1.00 3.28 O ATOM 726 OD2 ASP A 49 -2.348 10.702 20.935 1.00 3.02 O ATOM 0 H ASP A 49 -1.374 8.358 18.183 1.00 2.45 H new ATOM 0 HA ASP A 49 -4.301 7.940 17.962 1.00 2.47 H new ATOM 0 HB2 ASP A 49 -4.474 9.808 19.565 1.00 2.79 H new ATOM 0 HB3 ASP A 49 -3.617 8.438 20.242 1.00 2.79 H new ATOM 731 N GLN A 50 -2.472 9.686 16.168 1.00 2.26 N ATOM 732 CA GLN A 50 -2.368 10.659 15.086 1.00 2.39 C ATOM 733 C GLN A 50 -3.195 10.217 13.881 1.00 2.01 C ATOM 734 O GLN A 50 -2.828 9.269 13.187 1.00 2.19 O ATOM 735 CB GLN A 50 -0.909 10.828 14.676 1.00 3.08 C ATOM 736 CG GLN A 50 -0.015 11.259 15.821 1.00 3.45 C ATOM 737 CD GLN A 50 1.447 11.276 15.438 1.00 3.73 C ATOM 738 OE1 GLN A 50 1.871 12.060 14.589 1.00 4.34 O ATOM 739 NE2 GLN A 50 2.221 10.395 16.051 1.00 3.74 N ATOM 0 H GLN A 50 -1.707 9.013 16.199 1.00 2.26 H new ATOM 0 HA GLN A 50 -2.756 11.613 15.443 1.00 2.39 H new ATOM 0 HB2 GLN A 50 -0.541 9.886 14.270 1.00 3.08 H new ATOM 0 HB3 GLN A 50 -0.846 11.566 13.876 1.00 3.08 H new ATOM 0 HG2 GLN A 50 -0.312 12.253 16.155 1.00 3.45 H new ATOM 0 HG3 GLN A 50 -0.159 10.583 16.664 1.00 3.45 H new ATOM 0 HE21 GLN A 50 1.824 9.765 16.748 1.00 3.74 H new ATOM 0 HE22 GLN A 50 3.215 10.346 15.826 1.00 3.74 H new ATOM 748 N PRO A 51 -4.328 10.890 13.614 1.00 1.98 N ATOM 749 CA PRO A 51 -5.195 10.553 12.498 1.00 2.00 C ATOM 750 C PRO A 51 -4.841 11.321 11.229 1.00 1.82 C ATOM 751 O PRO A 51 -5.229 12.477 11.062 1.00 2.47 O ATOM 752 CB PRO A 51 -6.571 10.964 13.015 1.00 2.71 C ATOM 753 CG PRO A 51 -6.314 12.097 13.962 1.00 2.89 C ATOM 754 CD PRO A 51 -4.862 12.025 14.381 1.00 2.51 C ATOM 0 HA PRO A 51 -5.119 9.504 12.211 1.00 2.00 H new ATOM 0 HB2 PRO A 51 -7.222 11.274 12.198 1.00 2.71 H new ATOM 0 HB3 PRO A 51 -7.066 10.134 13.519 1.00 2.71 H new ATOM 0 HG2 PRO A 51 -6.527 13.052 13.482 1.00 2.89 H new ATOM 0 HG3 PRO A 51 -6.967 12.024 14.832 1.00 2.89 H new ATOM 0 HD2 PRO A 51 -4.333 12.949 14.148 1.00 2.51 H new ATOM 0 HD3 PRO A 51 -4.764 11.863 15.454 1.00 2.51 H new ATOM 762 N ASP A 52 -4.103 10.666 10.338 1.00 1.32 N ATOM 763 CA ASP A 52 -3.694 11.280 9.081 1.00 1.52 C ATOM 764 C ASP A 52 -2.990 10.257 8.194 1.00 1.28 C ATOM 765 O ASP A 52 -1.837 10.444 7.805 1.00 2.07 O ATOM 766 CB ASP A 52 -2.768 12.473 9.353 1.00 2.12 C ATOM 767 CG ASP A 52 -2.541 13.337 8.127 1.00 2.77 C ATOM 768 OD1 ASP A 52 -2.014 12.812 7.124 1.00 3.33 O ATOM 769 OD2 ASP A 52 -2.889 14.535 8.165 1.00 3.26 O ATOM 0 H ASP A 52 -3.776 9.708 10.464 1.00 1.32 H new ATOM 0 HA ASP A 52 -4.583 11.636 8.561 1.00 1.52 H new ATOM 0 HB2 ASP A 52 -3.196 13.084 10.148 1.00 2.12 H new ATOM 0 HB3 ASP A 52 -1.808 12.106 9.715 1.00 2.12 H new ATOM 774 N TYR A 53 -3.686 9.168 7.876 1.00 0.84 N ATOM 775 CA TYR A 53 -3.109 8.123 7.037 1.00 1.19 C ATOM 776 C TYR A 53 -3.497 8.308 5.574 1.00 0.96 C ATOM 777 O TYR A 53 -4.636 8.040 5.186 1.00 1.43 O ATOM 778 CB TYR A 53 -3.553 6.737 7.504 1.00 2.08 C ATOM 779 CG TYR A 53 -2.972 6.304 8.831 1.00 3.12 C ATOM 780 CD1 TYR A 53 -3.129 7.078 9.974 1.00 3.88 C ATOM 781 CD2 TYR A 53 -2.270 5.109 8.939 1.00 3.74 C ATOM 782 CE1 TYR A 53 -2.601 6.675 11.185 1.00 5.03 C ATOM 783 CE2 TYR A 53 -1.740 4.701 10.147 1.00 4.86 C ATOM 784 CZ TYR A 53 -1.907 5.487 11.266 1.00 5.45 C ATOM 785 OH TYR A 53 -1.384 5.079 12.469 1.00 6.66 O ATOM 0 H TYR A 53 -4.642 8.988 8.184 1.00 0.84 H new ATOM 0 HA TYR A 53 -2.026 8.203 7.128 1.00 1.19 H new ATOM 0 HB2 TYR A 53 -4.640 6.724 7.577 1.00 2.08 H new ATOM 0 HB3 TYR A 53 -3.275 6.006 6.745 1.00 2.08 H new ATOM 0 HD1 TYR A 53 -3.672 8.009 9.915 1.00 3.88 H new ATOM 0 HD2 TYR A 53 -2.137 4.490 8.064 1.00 3.74 H new ATOM 0 HE1 TYR A 53 -2.731 7.288 12.065 1.00 5.03 H new ATOM 0 HE2 TYR A 53 -1.197 3.770 10.214 1.00 4.86 H new ATOM 0 HH TYR A 53 -0.922 5.830 12.897 1.00 6.66 H new ATOM 795 N LEU A 54 -2.539 8.747 4.767 1.00 0.84 N ATOM 796 CA LEU A 54 -2.773 8.941 3.342 1.00 0.76 C ATOM 797 C LEU A 54 -2.338 7.690 2.590 1.00 0.76 C ATOM 798 O LEU A 54 -1.184 7.268 2.687 1.00 0.98 O ATOM 799 CB LEU A 54 -2.007 10.175 2.839 1.00 0.97 C ATOM 800 CG LEU A 54 -2.363 10.657 1.423 1.00 1.15 C ATOM 801 CD1 LEU A 54 -1.882 9.674 0.365 1.00 1.60 C ATOM 802 CD2 LEU A 54 -3.863 10.882 1.298 1.00 1.60 C ATOM 0 H LEU A 54 -1.594 8.975 5.075 1.00 0.84 H new ATOM 0 HA LEU A 54 -3.835 9.112 3.165 1.00 0.76 H new ATOM 0 HB2 LEU A 54 -2.181 10.995 3.535 1.00 0.97 H new ATOM 0 HB3 LEU A 54 -0.940 9.953 2.869 1.00 0.97 H new ATOM 0 HG LEU A 54 -1.851 11.605 1.255 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -2.150 10.045 -0.625 1.00 1.60 H new ATOM 0 HD12 LEU A 54 -0.799 9.568 0.432 1.00 1.60 H new ATOM 0 HD13 LEU A 54 -2.352 8.704 0.529 1.00 1.60 H new ATOM 0 HD21 LEU A 54 -4.097 11.223 0.289 1.00 1.60 H new ATOM 0 HD22 LEU A 54 -4.389 9.948 1.496 1.00 1.60 H new ATOM 0 HD23 LEU A 54 -4.179 11.636 2.018 1.00 1.60 H new ATOM 814 N ASN A 55 -3.265 7.089 1.856 1.00 0.60 N ATOM 815 CA ASN A 55 -2.969 5.874 1.110 1.00 0.66 C ATOM 816 C ASN A 55 -3.376 6.014 -0.349 1.00 0.50 C ATOM 817 O ASN A 55 -4.369 6.664 -0.664 1.00 0.56 O ATOM 818 CB ASN A 55 -3.688 4.685 1.742 1.00 0.87 C ATOM 819 CG ASN A 55 -3.372 4.547 3.219 1.00 1.51 C ATOM 820 OD1 ASN A 55 -2.215 4.381 3.606 1.00 2.21 O ATOM 821 ND2 ASN A 55 -4.402 4.617 4.054 1.00 2.21 N ATOM 0 H ASN A 55 -4.225 7.422 1.761 1.00 0.60 H new ATOM 0 HA ASN A 55 -1.893 5.705 1.147 1.00 0.66 H new ATOM 0 HB2 ASN A 55 -4.764 4.801 1.611 1.00 0.87 H new ATOM 0 HB3 ASN A 55 -3.401 3.770 1.223 1.00 0.87 H new ATOM 0 HD21 ASN A 55 -4.250 4.532 5.059 1.00 2.21 H new ATOM 0 HD22 ASN A 55 -5.345 4.755 3.690 1.00 2.21 H new ATOM 828 N ALA A 56 -2.601 5.395 -1.232 1.00 0.50 N ATOM 829 CA ALA A 56 -2.876 5.445 -2.662 1.00 0.45 C ATOM 830 C ALA A 56 -2.813 4.053 -3.276 1.00 0.45 C ATOM 831 O ALA A 56 -1.901 3.279 -2.987 1.00 0.61 O ATOM 832 CB ALA A 56 -1.893 6.377 -3.356 1.00 0.58 C ATOM 0 H ALA A 56 -1.775 4.851 -0.981 1.00 0.50 H new ATOM 0 HA ALA A 56 -3.885 5.832 -2.803 1.00 0.45 H new ATOM 0 HB1 ALA A 56 -2.110 6.405 -4.424 1.00 0.58 H new ATOM 0 HB2 ALA A 56 -1.987 7.380 -2.940 1.00 0.58 H new ATOM 0 HB3 ALA A 56 -0.877 6.014 -3.202 1.00 0.58 H new ATOM 838 N ALA A 57 -3.780 3.744 -4.133 1.00 0.43 N ATOM 839 CA ALA A 57 -3.820 2.444 -4.789 1.00 0.47 C ATOM 840 C ALA A 57 -2.831 2.402 -5.945 1.00 0.40 C ATOM 841 O ALA A 57 -2.899 3.230 -6.859 1.00 0.44 O ATOM 842 CB ALA A 57 -5.228 2.139 -5.276 1.00 0.59 C ATOM 0 H ALA A 57 -4.542 4.372 -4.388 1.00 0.43 H new ATOM 0 HA ALA A 57 -3.534 1.680 -4.065 1.00 0.47 H new ATOM 0 HB1 ALA A 57 -5.241 1.164 -5.764 1.00 0.59 H new ATOM 0 HB2 ALA A 57 -5.912 2.129 -4.428 1.00 0.59 H new ATOM 0 HB3 ALA A 57 -5.541 2.904 -5.986 1.00 0.59 H new ATOM 848 N VAL A 58 -1.911 1.435 -5.899 1.00 0.39 N ATOM 849 CA VAL A 58 -0.909 1.287 -6.930 1.00 0.39 C ATOM 850 C VAL A 58 -0.832 -0.162 -7.387 1.00 0.40 C ATOM 851 O VAL A 58 -0.386 -1.043 -6.653 1.00 0.60 O ATOM 852 CB VAL A 58 0.475 1.766 -6.441 1.00 0.49 C ATOM 853 CG1 VAL A 58 0.453 3.262 -6.173 1.00 1.11 C ATOM 854 CG2 VAL A 58 0.907 1.011 -5.193 1.00 1.22 C ATOM 0 H VAL A 58 -1.849 0.745 -5.150 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.202 1.911 -7.774 1.00 0.39 H new ATOM 0 HB VAL A 58 1.201 1.560 -7.228 1.00 0.49 H new ATOM 0 HG11 VAL A 58 1.436 3.584 -5.829 1.00 1.11 H new ATOM 0 HG12 VAL A 58 0.198 3.792 -7.090 1.00 1.11 H new ATOM 0 HG13 VAL A 58 -0.290 3.484 -5.407 1.00 1.11 H new ATOM 0 HG21 VAL A 58 1.885 1.369 -4.871 1.00 1.22 H new ATOM 0 HG22 VAL A 58 0.180 1.177 -4.398 1.00 1.22 H new ATOM 0 HG23 VAL A 58 0.966 -0.055 -5.415 1.00 1.22 H new ATOM 864 N ALA A 59 -1.269 -0.401 -8.608 1.00 0.34 N ATOM 865 CA ALA A 59 -1.247 -1.739 -9.168 1.00 0.36 C ATOM 866 C ALA A 59 -0.521 -1.714 -10.491 1.00 0.37 C ATOM 867 O ALA A 59 -1.109 -1.442 -11.537 1.00 0.43 O ATOM 868 CB ALA A 59 -2.661 -2.273 -9.336 1.00 0.44 C ATOM 0 H ALA A 59 -1.644 0.314 -9.232 1.00 0.34 H new ATOM 0 HA ALA A 59 -0.720 -2.406 -8.486 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -2.623 -3.278 -9.757 1.00 0.44 H new ATOM 0 HB2 ALA A 59 -3.156 -2.305 -8.365 1.00 0.44 H new ATOM 0 HB3 ALA A 59 -3.220 -1.619 -10.006 1.00 0.44 H new ATOM 874 N LEU A 60 0.771 -1.971 -10.429 1.00 0.37 N ATOM 875 CA LEU A 60 1.600 -1.949 -11.626 1.00 0.45 C ATOM 876 C LEU A 60 2.111 -3.332 -11.989 1.00 0.39 C ATOM 877 O LEU A 60 2.120 -4.243 -11.164 1.00 0.38 O ATOM 878 CB LEU A 60 2.789 -1.012 -11.443 1.00 0.56 C ATOM 879 CG LEU A 60 4.002 -1.621 -10.748 1.00 0.48 C ATOM 880 CD1 LEU A 60 5.164 -0.641 -10.765 1.00 0.44 C ATOM 881 CD2 LEU A 60 3.659 -2.025 -9.322 1.00 0.98 C ATOM 0 H LEU A 60 1.271 -2.197 -9.569 1.00 0.37 H new ATOM 0 HA LEU A 60 0.968 -1.589 -12.438 1.00 0.45 H new ATOM 0 HB2 LEU A 60 3.098 -0.649 -12.423 1.00 0.56 H new ATOM 0 HB3 LEU A 60 2.461 -0.144 -10.870 1.00 0.56 H new ATOM 0 HG LEU A 60 4.298 -2.519 -11.291 1.00 0.48 H new ATOM 0 HD11 LEU A 60 6.024 -1.088 -10.266 1.00 0.44 H new ATOM 0 HD12 LEU A 60 5.426 -0.405 -11.796 1.00 0.44 H new ATOM 0 HD13 LEU A 60 4.877 0.273 -10.245 1.00 0.44 H new ATOM 0 HD21 LEU A 60 4.539 -2.457 -8.845 1.00 0.98 H new ATOM 0 HD22 LEU A 60 3.337 -1.147 -8.762 1.00 0.98 H new ATOM 0 HD23 LEU A 60 2.855 -2.761 -9.336 1.00 0.98 H new ATOM 893 N GLU A 61 2.552 -3.465 -13.233 1.00 0.39 N ATOM 894 CA GLU A 61 3.088 -4.720 -13.726 1.00 0.38 C ATOM 895 C GLU A 61 4.556 -4.853 -13.344 1.00 0.36 C ATOM 896 O GLU A 61 5.429 -4.302 -14.016 1.00 0.38 O ATOM 897 CB GLU A 61 2.944 -4.794 -15.246 1.00 0.44 C ATOM 898 CG GLU A 61 1.547 -4.459 -15.731 1.00 1.08 C ATOM 899 CD GLU A 61 1.374 -4.680 -17.221 1.00 1.06 C ATOM 900 OE1 GLU A 61 2.098 -4.032 -18.006 1.00 1.24 O ATOM 901 OE2 GLU A 61 0.516 -5.503 -17.603 1.00 1.39 O ATOM 0 H GLU A 61 2.547 -2.712 -13.921 1.00 0.39 H new ATOM 0 HA GLU A 61 2.527 -5.538 -13.273 1.00 0.38 H new ATOM 0 HB2 GLU A 61 3.655 -4.108 -15.706 1.00 0.44 H new ATOM 0 HB3 GLU A 61 3.207 -5.797 -15.581 1.00 0.44 H new ATOM 0 HG2 GLU A 61 0.824 -5.070 -15.191 1.00 1.08 H new ATOM 0 HG3 GLU A 61 1.325 -3.418 -15.494 1.00 1.08 H new ATOM 908 N THR A 62 4.829 -5.574 -12.260 1.00 0.39 N ATOM 909 CA THR A 62 6.189 -5.761 -11.807 1.00 0.43 C ATOM 910 C THR A 62 6.835 -6.946 -12.507 1.00 0.39 C ATOM 911 O THR A 62 6.165 -7.777 -13.118 1.00 0.43 O ATOM 912 CB THR A 62 6.231 -5.983 -10.294 1.00 0.54 C ATOM 913 OG1 THR A 62 5.409 -7.076 -9.925 1.00 1.47 O ATOM 914 CG2 THR A 62 5.790 -4.781 -9.489 1.00 1.02 C ATOM 0 H THR A 62 4.123 -6.034 -11.685 1.00 0.39 H new ATOM 0 HA THR A 62 6.745 -4.856 -12.052 1.00 0.43 H new ATOM 0 HB THR A 62 7.279 -6.179 -10.065 1.00 0.54 H new ATOM 0 HG1 THR A 62 5.681 -7.407 -9.044 1.00 1.47 H new ATOM 0 HG21 THR A 62 5.847 -5.014 -8.426 1.00 1.02 H new ATOM 0 HG22 THR A 62 6.442 -3.936 -9.710 1.00 1.02 H new ATOM 0 HG23 THR A 62 4.763 -4.525 -9.750 1.00 1.02 H new ATOM 922 N SER A 63 8.143 -7.020 -12.368 1.00 0.40 N ATOM 923 CA SER A 63 8.931 -8.106 -12.931 1.00 0.44 C ATOM 924 C SER A 63 9.758 -8.672 -11.802 1.00 0.44 C ATOM 925 O SER A 63 10.189 -9.825 -11.811 1.00 0.64 O ATOM 926 CB SER A 63 9.831 -7.603 -14.062 1.00 0.56 C ATOM 927 OG SER A 63 10.586 -8.662 -14.625 1.00 1.23 O ATOM 0 H SER A 63 8.694 -6.328 -11.860 1.00 0.40 H new ATOM 0 HA SER A 63 8.283 -8.869 -13.362 1.00 0.44 H new ATOM 0 HB2 SER A 63 9.221 -7.136 -14.836 1.00 0.56 H new ATOM 0 HB3 SER A 63 10.504 -6.835 -13.681 1.00 0.56 H new ATOM 0 HG SER A 63 11.151 -8.314 -15.346 1.00 1.23 H new ATOM 933 N LEU A 64 9.924 -7.814 -10.811 1.00 0.39 N ATOM 934 CA LEU A 64 10.636 -8.110 -9.601 1.00 0.38 C ATOM 935 C LEU A 64 9.630 -8.257 -8.476 1.00 0.35 C ATOM 936 O LEU A 64 9.120 -7.256 -7.972 1.00 0.39 O ATOM 937 CB LEU A 64 11.587 -6.961 -9.298 1.00 0.42 C ATOM 938 CG LEU A 64 11.011 -5.574 -9.599 1.00 0.50 C ATOM 939 CD1 LEU A 64 11.480 -4.568 -8.560 1.00 0.78 C ATOM 940 CD2 LEU A 64 11.425 -5.124 -10.993 1.00 0.84 C ATOM 0 H LEU A 64 9.552 -6.865 -10.837 1.00 0.39 H new ATOM 0 HA LEU A 64 11.207 -9.033 -9.705 1.00 0.38 H new ATOM 0 HB2 LEU A 64 11.868 -7.005 -8.246 1.00 0.42 H new ATOM 0 HB3 LEU A 64 12.500 -7.097 -9.878 1.00 0.42 H new ATOM 0 HG LEU A 64 9.923 -5.633 -9.558 1.00 0.50 H new ATOM 0 HD11 LEU A 64 11.062 -3.588 -8.788 1.00 0.78 H new ATOM 0 HD12 LEU A 64 11.146 -4.884 -7.571 1.00 0.78 H new ATOM 0 HD13 LEU A 64 12.568 -4.511 -8.574 1.00 0.78 H new ATOM 0 HD21 LEU A 64 11.009 -4.137 -11.195 1.00 0.84 H new ATOM 0 HD22 LEU A 64 12.512 -5.079 -11.053 1.00 0.84 H new ATOM 0 HD23 LEU A 64 11.050 -5.833 -11.731 1.00 0.84 H new ATOM 952 N ALA A 65 9.329 -9.500 -8.098 1.00 0.38 N ATOM 953 CA ALA A 65 8.364 -9.762 -7.037 1.00 0.42 C ATOM 954 C ALA A 65 8.457 -8.694 -5.954 1.00 0.39 C ATOM 955 O ALA A 65 9.543 -8.183 -5.690 1.00 0.38 O ATOM 956 CB ALA A 65 8.595 -11.144 -6.445 1.00 0.52 C ATOM 0 H ALA A 65 9.740 -10.337 -8.511 1.00 0.38 H new ATOM 0 HA ALA A 65 7.361 -9.730 -7.464 1.00 0.42 H new ATOM 0 HB1 ALA A 65 7.868 -11.327 -5.654 1.00 0.52 H new ATOM 0 HB2 ALA A 65 8.481 -11.897 -7.224 1.00 0.52 H new ATOM 0 HB3 ALA A 65 9.602 -11.199 -6.032 1.00 0.52 H new ATOM 962 N PRO A 66 7.322 -8.322 -5.327 1.00 0.44 N ATOM 963 CA PRO A 66 7.286 -7.298 -4.284 1.00 0.47 C ATOM 964 C PRO A 66 8.513 -7.318 -3.381 1.00 0.45 C ATOM 965 O PRO A 66 8.841 -6.316 -2.762 1.00 0.49 O ATOM 966 CB PRO A 66 6.034 -7.657 -3.506 1.00 0.55 C ATOM 967 CG PRO A 66 5.112 -8.221 -4.529 1.00 0.57 C ATOM 968 CD PRO A 66 5.975 -8.857 -5.597 1.00 0.50 C ATOM 0 HA PRO A 66 7.281 -6.290 -4.700 1.00 0.47 H new ATOM 0 HB2 PRO A 66 6.248 -8.382 -2.721 1.00 0.55 H new ATOM 0 HB3 PRO A 66 5.602 -6.781 -3.022 1.00 0.55 H new ATOM 0 HG2 PRO A 66 4.445 -8.958 -4.083 1.00 0.57 H new ATOM 0 HG3 PRO A 66 4.484 -7.439 -4.955 1.00 0.57 H new ATOM 0 HD2 PRO A 66 5.956 -9.945 -5.531 1.00 0.50 H new ATOM 0 HD3 PRO A 66 5.633 -8.592 -6.598 1.00 0.50 H new ATOM 976 N GLU A 67 9.199 -8.455 -3.326 1.00 0.45 N ATOM 977 CA GLU A 67 10.407 -8.578 -2.520 1.00 0.49 C ATOM 978 C GLU A 67 11.424 -7.522 -2.957 1.00 0.44 C ATOM 979 O GLU A 67 11.940 -6.763 -2.137 1.00 0.47 O ATOM 980 CB GLU A 67 10.989 -9.982 -2.679 1.00 0.52 C ATOM 981 CG GLU A 67 9.973 -11.081 -2.422 1.00 0.71 C ATOM 982 CD GLU A 67 10.524 -12.466 -2.701 1.00 0.77 C ATOM 983 OE1 GLU A 67 10.928 -12.724 -3.854 1.00 1.20 O ATOM 984 OE2 GLU A 67 10.552 -13.292 -1.765 1.00 1.06 O ATOM 0 H GLU A 67 8.939 -9.303 -3.830 1.00 0.45 H new ATOM 0 HA GLU A 67 10.165 -8.417 -1.469 1.00 0.49 H new ATOM 0 HB2 GLU A 67 11.387 -10.092 -3.688 1.00 0.52 H new ATOM 0 HB3 GLU A 67 11.826 -10.102 -1.992 1.00 0.52 H new ATOM 0 HG2 GLU A 67 9.642 -11.029 -1.385 1.00 0.71 H new ATOM 0 HG3 GLU A 67 9.095 -10.911 -3.046 1.00 0.71 H new ATOM 991 N GLU A 68 11.677 -7.465 -4.265 1.00 0.40 N ATOM 992 CA GLU A 68 12.594 -6.492 -4.842 1.00 0.39 C ATOM 993 C GLU A 68 11.890 -5.155 -4.924 1.00 0.35 C ATOM 994 O GLU A 68 12.458 -4.105 -4.623 1.00 0.40 O ATOM 995 CB GLU A 68 12.996 -6.925 -6.251 1.00 0.41 C ATOM 996 CG GLU A 68 13.358 -8.388 -6.344 1.00 0.97 C ATOM 997 CD GLU A 68 13.875 -8.781 -7.714 1.00 1.52 C ATOM 998 OE1 GLU A 68 14.906 -8.220 -8.142 1.00 1.90 O ATOM 999 OE2 GLU A 68 13.249 -9.648 -8.359 1.00 2.06 O ATOM 0 H GLU A 68 11.252 -8.091 -4.949 1.00 0.40 H new ATOM 0 HA GLU A 68 13.486 -6.419 -4.220 1.00 0.39 H new ATOM 0 HB2 GLU A 68 12.174 -6.717 -6.936 1.00 0.41 H new ATOM 0 HB3 GLU A 68 13.845 -6.326 -6.580 1.00 0.41 H new ATOM 0 HG2 GLU A 68 14.116 -8.618 -5.595 1.00 0.97 H new ATOM 0 HG3 GLU A 68 12.481 -8.990 -6.105 1.00 0.97 H new ATOM 1006 N LEU A 69 10.634 -5.228 -5.334 1.00 0.32 N ATOM 1007 CA LEU A 69 9.796 -4.058 -5.466 1.00 0.33 C ATOM 1008 C LEU A 69 9.697 -3.312 -4.141 1.00 0.34 C ATOM 1009 O LEU A 69 9.501 -2.099 -4.113 1.00 0.44 O ATOM 1010 CB LEU A 69 8.420 -4.485 -5.985 1.00 0.38 C ATOM 1011 CG LEU A 69 7.231 -3.658 -5.481 1.00 0.44 C ATOM 1012 CD1 LEU A 69 7.251 -2.269 -6.090 1.00 0.66 C ATOM 1013 CD2 LEU A 69 5.916 -4.363 -5.789 1.00 0.67 C ATOM 0 H LEU A 69 10.171 -6.102 -5.583 1.00 0.32 H new ATOM 0 HA LEU A 69 10.239 -3.367 -6.184 1.00 0.33 H new ATOM 0 HB2 LEU A 69 8.434 -4.441 -7.074 1.00 0.38 H new ATOM 0 HB3 LEU A 69 8.256 -5.527 -5.710 1.00 0.38 H new ATOM 0 HG LEU A 69 7.318 -3.558 -4.399 1.00 0.44 H new ATOM 0 HD11 LEU A 69 6.400 -1.697 -5.720 1.00 0.66 H new ATOM 0 HD12 LEU A 69 8.176 -1.763 -5.812 1.00 0.66 H new ATOM 0 HD13 LEU A 69 7.192 -2.347 -7.176 1.00 0.66 H new ATOM 0 HD21 LEU A 69 5.085 -3.760 -5.423 1.00 0.67 H new ATOM 0 HD22 LEU A 69 5.819 -4.498 -6.866 1.00 0.67 H new ATOM 0 HD23 LEU A 69 5.901 -5.336 -5.298 1.00 0.67 H new ATOM 1025 N LEU A 70 9.870 -4.039 -3.044 1.00 0.39 N ATOM 1026 CA LEU A 70 9.832 -3.437 -1.721 1.00 0.47 C ATOM 1027 C LEU A 70 11.190 -2.837 -1.404 1.00 0.44 C ATOM 1028 O LEU A 70 11.292 -1.828 -0.710 1.00 0.47 O ATOM 1029 CB LEU A 70 9.456 -4.471 -0.657 1.00 0.62 C ATOM 1030 CG LEU A 70 8.153 -4.188 0.094 1.00 0.99 C ATOM 1031 CD1 LEU A 70 6.965 -4.210 -0.855 1.00 1.48 C ATOM 1032 CD2 LEU A 70 7.959 -5.195 1.219 1.00 1.65 C ATOM 0 H LEU A 70 10.038 -5.045 -3.046 1.00 0.39 H new ATOM 0 HA LEU A 70 9.072 -2.655 -1.714 1.00 0.47 H new ATOM 0 HB2 LEU A 70 9.377 -5.448 -1.134 1.00 0.62 H new ATOM 0 HB3 LEU A 70 10.268 -4.535 0.068 1.00 0.62 H new ATOM 0 HG LEU A 70 8.219 -3.191 0.529 1.00 0.99 H new ATOM 0 HD11 LEU A 70 6.051 -4.006 -0.298 1.00 1.48 H new ATOM 0 HD12 LEU A 70 7.099 -3.449 -1.623 1.00 1.48 H new ATOM 0 HD13 LEU A 70 6.893 -5.191 -1.325 1.00 1.48 H new ATOM 0 HD21 LEU A 70 7.028 -4.980 1.743 1.00 1.65 H new ATOM 0 HD22 LEU A 70 7.917 -6.202 0.803 1.00 1.65 H new ATOM 0 HD23 LEU A 70 8.793 -5.125 1.917 1.00 1.65 H new ATOM 1044 N ASN A 71 12.233 -3.470 -1.931 1.00 0.46 N ATOM 1045 CA ASN A 71 13.598 -3.003 -1.721 1.00 0.50 C ATOM 1046 C ASN A 71 13.735 -1.522 -2.070 1.00 0.41 C ATOM 1047 O ASN A 71 14.097 -0.720 -1.214 1.00 0.44 O ATOM 1048 CB ASN A 71 14.584 -3.826 -2.554 1.00 0.59 C ATOM 1049 CG ASN A 71 14.692 -5.270 -2.092 1.00 0.79 C ATOM 1050 OD1 ASN A 71 14.016 -5.605 -0.998 1.00 1.59 O flip ATOM 1051 ND2 ASN A 71 15.386 -6.077 -2.712 1.00 0.72 N flip ATOM 0 H ASN A 71 12.159 -4.308 -2.507 1.00 0.46 H new ATOM 0 HA ASN A 71 13.832 -3.132 -0.664 1.00 0.50 H new ATOM 0 HB2 ASN A 71 14.273 -3.807 -3.598 1.00 0.59 H new ATOM 0 HB3 ASN A 71 15.568 -3.360 -2.506 1.00 0.59 H new ATOM 0 HD21 ASN A 71 15.890 -5.780 -3.548 1.00 0.72 H new ATOM 0 HD22 ASN A 71 15.457 -7.042 -2.390 1.00 0.72 H new ATOM 1058 N HIS A 72 13.457 -1.165 -3.327 1.00 0.37 N ATOM 1059 CA HIS A 72 13.573 0.229 -3.769 1.00 0.35 C ATOM 1060 C HIS A 72 12.513 1.131 -3.142 1.00 0.32 C ATOM 1061 O HIS A 72 12.823 2.238 -2.704 1.00 0.35 O ATOM 1062 CB HIS A 72 13.506 0.320 -5.292 1.00 0.39 C ATOM 1063 CG HIS A 72 12.292 -0.316 -5.881 1.00 0.57 C ATOM 1064 ND1 HIS A 72 11.088 0.341 -6.015 1.00 1.07 N ATOM 1065 CD2 HIS A 72 12.098 -1.562 -6.372 1.00 0.61 C ATOM 1066 CE1 HIS A 72 10.207 -0.470 -6.568 1.00 1.40 C ATOM 1067 NE2 HIS A 72 10.794 -1.630 -6.797 1.00 1.11 N ATOM 0 H HIS A 72 13.153 -1.815 -4.052 1.00 0.37 H new ATOM 0 HA HIS A 72 14.545 0.586 -3.430 1.00 0.35 H new ATOM 0 HB2 HIS A 72 13.533 1.369 -5.585 1.00 0.39 H new ATOM 0 HB3 HIS A 72 14.393 -0.152 -5.714 1.00 0.39 H new ATOM 0 HD2 HIS A 72 12.831 -2.354 -6.420 1.00 0.61 H new ATOM 0 HE1 HIS A 72 9.180 -0.226 -6.795 1.00 1.40 H new ATOM 0 HE2 HIS A 72 10.351 -2.445 -7.221 1.00 1.11 H new ATOM 1076 N THR A 73 11.264 0.674 -3.098 1.00 0.34 N ATOM 1077 CA THR A 73 10.203 1.485 -2.510 1.00 0.38 C ATOM 1078 C THR A 73 10.564 1.887 -1.083 1.00 0.36 C ATOM 1079 O THR A 73 10.617 3.073 -0.752 1.00 0.36 O ATOM 1080 CB THR A 73 8.880 0.727 -2.525 1.00 0.47 C ATOM 1081 OG1 THR A 73 9.023 -0.548 -1.929 1.00 0.77 O ATOM 1082 CG2 THR A 73 8.319 0.533 -3.917 1.00 0.61 C ATOM 0 H THR A 73 10.966 -0.234 -3.454 1.00 0.34 H new ATOM 0 HA THR A 73 10.093 2.389 -3.108 1.00 0.38 H new ATOM 0 HB THR A 73 8.185 1.346 -1.957 1.00 0.47 H new ATOM 0 HG1 THR A 73 9.090 -1.231 -2.629 1.00 0.77 H new ATOM 0 HG21 THR A 73 7.377 -0.013 -3.857 1.00 0.61 H new ATOM 0 HG22 THR A 73 8.146 1.505 -4.378 1.00 0.61 H new ATOM 0 HG23 THR A 73 9.029 -0.033 -4.520 1.00 0.61 H new ATOM 1090 N GLN A 74 10.831 0.889 -0.250 1.00 0.39 N ATOM 1091 CA GLN A 74 11.212 1.117 1.137 1.00 0.42 C ATOM 1092 C GLN A 74 12.610 1.718 1.202 1.00 0.41 C ATOM 1093 O GLN A 74 13.054 2.184 2.252 1.00 0.50 O ATOM 1094 CB GLN A 74 11.173 -0.195 1.922 1.00 0.49 C ATOM 1095 CG GLN A 74 9.834 -0.909 1.850 1.00 1.45 C ATOM 1096 CD GLN A 74 9.813 -2.189 2.662 1.00 1.87 C ATOM 1097 OE1 GLN A 74 10.596 -3.108 2.416 1.00 2.25 O ATOM 1098 NE2 GLN A 74 8.915 -2.257 3.637 1.00 2.54 N ATOM 0 H GLN A 74 10.790 -0.095 -0.515 1.00 0.39 H new ATOM 0 HA GLN A 74 10.503 1.814 1.583 1.00 0.42 H new ATOM 0 HB2 GLN A 74 11.950 -0.859 1.542 1.00 0.49 H new ATOM 0 HB3 GLN A 74 11.410 0.009 2.966 1.00 0.49 H new ATOM 0 HG2 GLN A 74 9.051 -0.242 2.210 1.00 1.45 H new ATOM 0 HG3 GLN A 74 9.604 -1.139 0.810 1.00 1.45 H new ATOM 0 HE21 GLN A 74 8.286 -1.472 3.806 1.00 2.54 H new ATOM 0 HE22 GLN A 74 8.854 -3.094 4.217 1.00 2.54 H new ATOM 1107 N ARG A 75 13.292 1.714 0.061 1.00 0.37 N ATOM 1108 CA ARG A 75 14.637 2.266 -0.035 1.00 0.41 C ATOM 1109 C ARG A 75 14.569 3.781 -0.017 1.00 0.39 C ATOM 1110 O ARG A 75 15.488 4.458 0.449 1.00 0.43 O ATOM 1111 CB ARG A 75 15.318 1.765 -1.312 1.00 0.48 C ATOM 1112 CG ARG A 75 16.591 2.499 -1.691 1.00 0.89 C ATOM 1113 CD ARG A 75 17.249 1.848 -2.899 1.00 0.88 C ATOM 1114 NE ARG A 75 17.866 0.566 -2.561 1.00 1.59 N ATOM 1115 CZ ARG A 75 18.880 0.435 -1.708 1.00 2.26 C ATOM 1116 NH1 ARG A 75 19.403 1.501 -1.117 1.00 2.72 N ATOM 1117 NH2 ARG A 75 19.376 -0.767 -1.448 1.00 3.06 N ATOM 0 H ARG A 75 12.932 1.332 -0.814 1.00 0.37 H new ATOM 0 HA ARG A 75 15.228 1.935 0.819 1.00 0.41 H new ATOM 0 HB2 ARG A 75 15.549 0.707 -1.191 1.00 0.48 H new ATOM 0 HB3 ARG A 75 14.611 1.845 -2.138 1.00 0.48 H new ATOM 0 HG2 ARG A 75 16.363 3.542 -1.913 1.00 0.89 H new ATOM 0 HG3 ARG A 75 17.283 2.496 -0.849 1.00 0.89 H new ATOM 0 HD2 ARG A 75 16.504 1.697 -3.680 1.00 0.88 H new ATOM 0 HD3 ARG A 75 18.006 2.519 -3.305 1.00 0.88 H new ATOM 0 HE ARG A 75 17.499 -0.276 -3.004 1.00 1.59 H new ATOM 0 HH11 ARG A 75 19.029 2.429 -1.315 1.00 2.72 H new ATOM 0 HH12 ARG A 75 20.180 1.393 -0.465 1.00 2.72 H new ATOM 0 HH21 ARG A 75 18.981 -1.591 -1.901 1.00 3.06 H new ATOM 0 HH22 ARG A 75 20.153 -0.868 -0.795 1.00 3.06 H new ATOM 1131 N ILE A 76 13.459 4.309 -0.514 1.00 0.38 N ATOM 1132 CA ILE A 76 13.254 5.742 -0.544 1.00 0.41 C ATOM 1133 C ILE A 76 12.782 6.230 0.819 1.00 0.42 C ATOM 1134 O ILE A 76 13.347 7.168 1.367 1.00 0.44 O ATOM 1135 CB ILE A 76 12.237 6.154 -1.624 1.00 0.45 C ATOM 1136 CG1 ILE A 76 12.501 5.395 -2.928 1.00 0.55 C ATOM 1137 CG2 ILE A 76 12.311 7.655 -1.862 1.00 0.50 C ATOM 1138 CD1 ILE A 76 13.873 5.648 -3.518 1.00 0.83 C ATOM 0 H ILE A 76 12.689 3.763 -0.901 1.00 0.38 H new ATOM 0 HA ILE A 76 14.209 6.205 -0.791 1.00 0.41 H new ATOM 0 HB ILE A 76 11.236 5.900 -1.276 1.00 0.45 H new ATOM 0 HG12 ILE A 76 12.386 4.327 -2.745 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.744 5.676 -3.660 1.00 0.55 H new ATOM 0 HG21 ILE A 76 11.588 7.938 -2.627 1.00 0.50 H new ATOM 0 HG22 ILE A 76 12.083 8.182 -0.935 1.00 0.50 H new ATOM 0 HG23 ILE A 76 13.314 7.922 -2.194 1.00 0.50 H new ATOM 0 HD11 ILE A 76 13.984 5.076 -4.439 1.00 0.83 H new ATOM 0 HD12 ILE A 76 13.986 6.710 -3.735 1.00 0.83 H new ATOM 0 HD13 ILE A 76 14.638 5.340 -2.805 1.00 0.83 H new ATOM 1150 N GLU A 77 11.755 5.578 1.377 1.00 0.44 N ATOM 1151 CA GLU A 77 11.249 5.962 2.694 1.00 0.47 C ATOM 1152 C GLU A 77 12.376 5.917 3.717 1.00 0.48 C ATOM 1153 O GLU A 77 12.315 6.573 4.757 1.00 0.54 O ATOM 1154 CB GLU A 77 10.077 5.066 3.137 1.00 0.50 C ATOM 1155 CG GLU A 77 10.377 3.574 3.164 1.00 0.66 C ATOM 1156 CD GLU A 77 10.919 3.092 4.500 1.00 0.97 C ATOM 1157 OE1 GLU A 77 12.029 3.524 4.876 1.00 1.32 O ATOM 1158 OE2 GLU A 77 10.241 2.288 5.169 1.00 1.43 O ATOM 0 H GLU A 77 11.267 4.795 0.943 1.00 0.44 H new ATOM 0 HA GLU A 77 10.869 6.981 2.626 1.00 0.47 H new ATOM 0 HB2 GLU A 77 9.761 5.375 4.133 1.00 0.50 H new ATOM 0 HB3 GLU A 77 9.235 5.239 2.467 1.00 0.50 H new ATOM 0 HG2 GLU A 77 9.466 3.023 2.930 1.00 0.66 H new ATOM 0 HG3 GLU A 77 11.100 3.342 2.382 1.00 0.66 H new ATOM 1165 N LEU A 78 13.415 5.150 3.399 1.00 0.45 N ATOM 1166 CA LEU A 78 14.574 5.025 4.271 1.00 0.49 C ATOM 1167 C LEU A 78 15.488 6.233 4.105 1.00 0.49 C ATOM 1168 O LEU A 78 16.094 6.705 5.066 1.00 0.59 O ATOM 1169 CB LEU A 78 15.343 3.741 3.950 1.00 0.53 C ATOM 1170 CG LEU A 78 16.595 3.501 4.797 1.00 0.88 C ATOM 1171 CD1 LEU A 78 16.228 3.338 6.263 1.00 1.66 C ATOM 1172 CD2 LEU A 78 17.350 2.279 4.294 1.00 1.52 C ATOM 0 H LEU A 78 13.476 4.604 2.539 1.00 0.45 H new ATOM 0 HA LEU A 78 14.229 4.980 5.304 1.00 0.49 H new ATOM 0 HB2 LEU A 78 14.670 2.893 4.077 1.00 0.53 H new ATOM 0 HB3 LEU A 78 15.633 3.764 2.900 1.00 0.53 H new ATOM 0 HG LEU A 78 17.245 4.371 4.704 1.00 0.88 H new ATOM 0 HD11 LEU A 78 17.132 3.168 6.848 1.00 1.66 H new ATOM 0 HD12 LEU A 78 15.732 4.242 6.616 1.00 1.66 H new ATOM 0 HD13 LEU A 78 15.557 2.487 6.378 1.00 1.66 H new ATOM 0 HD21 LEU A 78 18.238 2.122 4.907 1.00 1.52 H new ATOM 0 HD22 LEU A 78 16.706 1.402 4.357 1.00 1.52 H new ATOM 0 HD23 LEU A 78 17.648 2.437 3.257 1.00 1.52 H new ATOM 1184 N GLN A 79 15.581 6.727 2.872 1.00 0.47 N ATOM 1185 CA GLN A 79 16.420 7.881 2.571 1.00 0.52 C ATOM 1186 C GLN A 79 15.575 9.106 2.230 1.00 0.53 C ATOM 1187 O GLN A 79 16.061 10.047 1.600 1.00 0.72 O ATOM 1188 CB GLN A 79 17.361 7.559 1.409 1.00 0.63 C ATOM 1189 CG GLN A 79 18.232 6.338 1.654 1.00 1.12 C ATOM 1190 CD GLN A 79 19.221 6.077 0.532 1.00 1.67 C ATOM 1191 OE1 GLN A 79 19.211 6.926 -0.492 1.00 2.24 O flip ATOM 1192 NE2 GLN A 79 19.992 5.119 0.586 1.00 2.32 N flip ATOM 0 H GLN A 79 15.085 6.345 2.067 1.00 0.47 H new ATOM 0 HA GLN A 79 17.008 8.109 3.460 1.00 0.52 H new ATOM 0 HB2 GLN A 79 16.770 7.399 0.507 1.00 0.63 H new ATOM 0 HB3 GLN A 79 18.002 8.421 1.221 1.00 0.63 H new ATOM 0 HG2 GLN A 79 18.778 6.470 2.588 1.00 1.12 H new ATOM 0 HG3 GLN A 79 17.594 5.463 1.779 1.00 1.12 H new ATOM 0 HE21 GLN A 79 19.969 4.490 1.389 1.00 2.32 H new ATOM 0 HE22 GLN A 79 20.654 4.954 -0.172 1.00 2.32 H new ATOM 1201 N GLN A 80 14.312 9.092 2.648 1.00 0.61 N ATOM 1202 CA GLN A 80 13.408 10.207 2.384 1.00 0.72 C ATOM 1203 C GLN A 80 12.986 10.890 3.683 1.00 0.88 C ATOM 1204 O GLN A 80 13.114 12.106 3.825 1.00 1.15 O ATOM 1205 CB GLN A 80 12.166 9.737 1.615 1.00 0.74 C ATOM 1206 CG GLN A 80 11.156 10.850 1.367 1.00 1.27 C ATOM 1207 CD GLN A 80 11.667 11.927 0.425 1.00 1.51 C ATOM 1208 OE1 GLN A 80 12.844 11.715 -0.157 1.00 2.00 O flip ATOM 1209 NE2 GLN A 80 11.001 12.941 0.211 1.00 2.07 N flip ATOM 0 H GLN A 80 13.892 8.323 3.170 1.00 0.61 H new ATOM 0 HA GLN A 80 13.948 10.928 1.770 1.00 0.72 H new ATOM 0 HB2 GLN A 80 12.477 9.317 0.658 1.00 0.74 H new ATOM 0 HB3 GLN A 80 11.683 8.935 2.173 1.00 0.74 H new ATOM 0 HG2 GLN A 80 10.244 10.418 0.954 1.00 1.27 H new ATOM 0 HG3 GLN A 80 10.889 11.307 2.320 1.00 1.27 H new ATOM 0 HE21 GLN A 80 10.102 13.068 0.676 1.00 2.07 H new ATOM 0 HE22 GLN A 80 11.348 13.653 -0.431 1.00 2.07 H new ATOM 1218 N GLY A 81 12.477 10.100 4.627 1.00 0.99 N ATOM 1219 CA GLY A 81 12.042 10.648 5.897 1.00 1.25 C ATOM 1220 C GLY A 81 12.520 9.825 7.079 1.00 1.79 C ATOM 1221 O GLY A 81 11.822 9.711 8.086 1.00 2.18 O ATOM 0 H GLY A 81 12.359 9.091 4.533 1.00 0.99 H new ATOM 0 HA2 GLY A 81 12.413 11.668 5.995 1.00 1.25 H new ATOM 0 HA3 GLY A 81 10.953 10.702 5.912 1.00 1.25 H new ATOM 1225 N ARG A 82 13.713 9.251 6.955 1.00 2.09 N ATOM 1226 CA ARG A 82 14.284 8.434 8.019 1.00 2.89 C ATOM 1227 C ARG A 82 15.715 8.866 8.320 1.00 2.71 C ATOM 1228 O ARG A 82 16.145 8.866 9.473 1.00 3.22 O ATOM 1229 CB ARG A 82 14.236 6.950 7.627 1.00 3.76 C ATOM 1230 CG ARG A 82 14.609 5.991 8.750 1.00 4.75 C ATOM 1231 CD ARG A 82 16.114 5.897 8.950 1.00 5.59 C ATOM 1232 NE ARG A 82 16.462 5.011 10.057 1.00 6.37 N ATOM 1233 CZ ARG A 82 17.712 4.754 10.434 1.00 7.14 C ATOM 1234 NH1 ARG A 82 18.732 5.306 9.789 1.00 7.29 N ATOM 1235 NH2 ARG A 82 17.941 3.943 11.457 1.00 8.02 N ATOM 0 H ARG A 82 14.303 9.337 6.127 1.00 2.09 H new ATOM 0 HA ARG A 82 13.692 8.575 8.923 1.00 2.89 H new ATOM 0 HB2 ARG A 82 13.231 6.711 7.280 1.00 3.76 H new ATOM 0 HB3 ARG A 82 14.911 6.787 6.787 1.00 3.76 H new ATOM 0 HG2 ARG A 82 14.141 6.321 9.677 1.00 4.75 H new ATOM 0 HG3 ARG A 82 14.211 5.001 8.527 1.00 4.75 H new ATOM 0 HD2 ARG A 82 16.580 5.534 8.034 1.00 5.59 H new ATOM 0 HD3 ARG A 82 16.518 6.891 9.140 1.00 5.59 H new ATOM 0 HE ARG A 82 15.703 4.563 10.571 1.00 6.37 H new ATOM 0 HH11 ARG A 82 18.559 5.930 9.001 1.00 7.29 H new ATOM 0 HH12 ARG A 82 19.689 5.106 10.081 1.00 7.29 H new ATOM 0 HH21 ARG A 82 17.159 3.516 11.955 1.00 8.02 H new ATOM 0 HH22 ARG A 82 18.899 3.745 11.747 1.00 8.02 H new ATOM 1249 N VAL A 83 16.450 9.241 7.275 1.00 2.65 N ATOM 1250 CA VAL A 83 17.833 9.677 7.430 1.00 2.95 C ATOM 1251 C VAL A 83 17.935 10.894 8.345 1.00 2.78 C ATOM 1252 O VAL A 83 19.020 11.240 8.814 1.00 3.48 O ATOM 1253 CB VAL A 83 18.473 10.019 6.071 1.00 3.70 C ATOM 1254 CG1 VAL A 83 18.558 8.779 5.195 1.00 4.50 C ATOM 1255 CG2 VAL A 83 17.690 11.121 5.373 1.00 4.33 C ATOM 0 H VAL A 83 16.110 9.251 6.313 1.00 2.65 H new ATOM 0 HA VAL A 83 18.372 8.843 7.880 1.00 2.95 H new ATOM 0 HB VAL A 83 19.486 10.382 6.248 1.00 3.70 H new ATOM 0 HG11 VAL A 83 19.013 9.039 4.239 1.00 4.50 H new ATOM 0 HG12 VAL A 83 19.166 8.023 5.692 1.00 4.50 H new ATOM 0 HG13 VAL A 83 17.556 8.384 5.025 1.00 4.50 H new ATOM 0 HG21 VAL A 83 18.157 11.349 4.415 1.00 4.33 H new ATOM 0 HG22 VAL A 83 16.665 10.790 5.207 1.00 4.33 H new ATOM 0 HG23 VAL A 83 17.686 12.015 5.996 1.00 4.33 H new ATOM 1265 N ARG A 84 16.802 11.540 8.597 1.00 2.54 N ATOM 1266 CA ARG A 84 16.772 12.715 9.459 1.00 3.37 C ATOM 1267 C ARG A 84 16.614 12.309 10.921 1.00 3.75 C ATOM 1268 O ARG A 84 17.601 12.109 11.628 1.00 4.35 O ATOM 1269 CB ARG A 84 15.631 13.650 9.049 1.00 3.92 C ATOM 1270 CG ARG A 84 15.773 14.210 7.644 1.00 4.19 C ATOM 1271 CD ARG A 84 14.634 15.158 7.310 1.00 5.23 C ATOM 1272 NE ARG A 84 14.556 16.273 8.250 1.00 5.75 N ATOM 1273 CZ ARG A 84 13.635 17.230 8.190 1.00 6.40 C ATOM 1274 NH1 ARG A 84 12.713 17.208 7.235 1.00 6.67 N ATOM 1275 NH2 ARG A 84 13.634 18.208 9.084 1.00 7.08 N ATOM 0 H ARG A 84 15.894 11.270 8.218 1.00 2.54 H new ATOM 0 HA ARG A 84 17.719 13.243 9.346 1.00 3.37 H new ATOM 0 HB2 ARG A 84 14.687 13.110 9.121 1.00 3.92 H new ATOM 0 HB3 ARG A 84 15.580 14.478 9.757 1.00 3.92 H new ATOM 0 HG2 ARG A 84 16.724 14.735 7.554 1.00 4.19 H new ATOM 0 HG3 ARG A 84 15.791 13.392 6.924 1.00 4.19 H new ATOM 0 HD2 ARG A 84 14.769 15.544 6.300 1.00 5.23 H new ATOM 0 HD3 ARG A 84 13.692 14.610 7.319 1.00 5.23 H new ATOM 0 HE ARG A 84 15.249 16.320 8.997 1.00 5.75 H new ATOM 0 HH11 ARG A 84 12.710 16.456 6.546 1.00 6.67 H new ATOM 0 HH12 ARG A 84 12.007 17.943 7.191 1.00 6.67 H new ATOM 0 HH21 ARG A 84 14.340 18.227 9.819 1.00 7.08 H new ATOM 0 HH22 ARG A 84 12.927 18.942 9.037 1.00 7.08 H new ATOM 1289 N LYS A 85 15.365 12.189 11.364 1.00 4.00 N ATOM 1290 CA LYS A 85 15.072 11.806 12.739 1.00 4.93 C ATOM 1291 C LYS A 85 13.575 11.586 12.922 1.00 5.06 C ATOM 1292 O LYS A 85 13.129 11.091 13.957 1.00 5.81 O ATOM 1293 CB LYS A 85 15.566 12.885 13.707 1.00 5.72 C ATOM 1294 CG LYS A 85 15.448 12.495 15.173 1.00 6.56 C ATOM 1295 CD LYS A 85 15.936 13.606 16.092 1.00 7.22 C ATOM 1296 CE LYS A 85 17.404 13.928 15.859 1.00 8.23 C ATOM 1297 NZ LYS A 85 18.278 12.744 16.090 1.00 8.70 N ATOM 0 H LYS A 85 14.539 12.352 10.788 1.00 4.00 H new ATOM 0 HA LYS A 85 15.592 10.873 12.956 1.00 4.93 H new ATOM 0 HB2 LYS A 85 16.609 13.111 13.483 1.00 5.72 H new ATOM 0 HB3 LYS A 85 14.998 13.800 13.537 1.00 5.72 H new ATOM 0 HG2 LYS A 85 14.409 12.261 15.405 1.00 6.56 H new ATOM 0 HG3 LYS A 85 16.027 11.590 15.357 1.00 6.56 H new ATOM 0 HD2 LYS A 85 15.337 14.502 15.929 1.00 7.22 H new ATOM 0 HD3 LYS A 85 15.789 13.309 17.131 1.00 7.22 H new ATOM 0 HE2 LYS A 85 17.539 14.285 14.838 1.00 8.23 H new ATOM 0 HE3 LYS A 85 17.707 14.738 16.523 1.00 8.23 H new ATOM 0 HZ1 LYS A 85 19.272 13.047 16.121 1.00 8.70 H new ATOM 0 HZ2 LYS A 85 18.024 12.296 16.994 1.00 8.70 H new ATOM 0 HZ3 LYS A 85 18.149 12.061 15.317 1.00 8.70 H new ATOM 1311 N ALA A 86 12.800 11.960 11.907 1.00 4.58 N ATOM 1312 CA ALA A 86 11.350 11.809 11.948 1.00 4.96 C ATOM 1313 C ALA A 86 10.943 10.352 12.144 1.00 4.23 C ATOM 1314 O ALA A 86 10.280 10.011 13.123 1.00 4.67 O ATOM 1315 CB ALA A 86 10.727 12.365 10.675 1.00 5.68 C ATOM 0 H ALA A 86 13.155 12.371 11.044 1.00 4.58 H new ATOM 0 HA ALA A 86 10.980 12.374 12.803 1.00 4.96 H new ATOM 0 HB1 ALA A 86 9.644 12.246 10.718 1.00 5.68 H new ATOM 0 HB2 ALA A 86 10.973 13.423 10.582 1.00 5.68 H new ATOM 0 HB3 ALA A 86 11.117 11.824 9.813 1.00 5.68 H new ATOM 1321 N GLU A 87 11.339 9.497 11.202 1.00 3.27 N ATOM 1322 CA GLU A 87 11.008 8.077 11.270 1.00 2.78 C ATOM 1323 C GLU A 87 11.454 7.467 12.597 1.00 2.78 C ATOM 1324 O GLU A 87 10.878 6.480 13.058 1.00 3.47 O ATOM 1325 CB GLU A 87 11.648 7.330 10.093 1.00 2.42 C ATOM 1326 CG GLU A 87 11.271 5.858 10.009 1.00 3.19 C ATOM 1327 CD GLU A 87 12.105 4.974 10.919 1.00 3.92 C ATOM 1328 OE1 GLU A 87 13.066 5.484 11.532 1.00 4.37 O ATOM 1329 OE2 GLU A 87 11.804 3.764 11.007 1.00 4.46 O ATOM 0 H GLU A 87 11.888 9.763 10.385 1.00 3.27 H new ATOM 0 HA GLU A 87 9.924 7.977 11.206 1.00 2.78 H new ATOM 0 HB2 GLU A 87 11.358 7.821 9.164 1.00 2.42 H new ATOM 0 HB3 GLU A 87 12.732 7.412 10.172 1.00 2.42 H new ATOM 0 HG2 GLU A 87 10.218 5.744 10.268 1.00 3.19 H new ATOM 0 HG3 GLU A 87 11.385 5.519 8.979 1.00 3.19 H new ATOM 1336 N ARG A 88 12.478 8.056 13.206 1.00 2.49 N ATOM 1337 CA ARG A 88 12.997 7.566 14.480 1.00 2.70 C ATOM 1338 C ARG A 88 11.911 7.545 15.552 1.00 2.60 C ATOM 1339 O ARG A 88 11.861 6.632 16.379 1.00 3.18 O ATOM 1340 CB ARG A 88 14.168 8.431 14.947 1.00 3.45 C ATOM 1341 CG ARG A 88 15.357 8.421 13.998 1.00 4.14 C ATOM 1342 CD ARG A 88 15.973 7.035 13.890 1.00 4.97 C ATOM 1343 NE ARG A 88 16.405 6.528 15.190 1.00 5.51 N ATOM 1344 CZ ARG A 88 16.995 5.349 15.363 1.00 6.30 C ATOM 1345 NH1 ARG A 88 17.230 4.560 14.323 1.00 6.63 N ATOM 1346 NH2 ARG A 88 17.350 4.955 16.580 1.00 7.05 N ATOM 0 H ARG A 88 12.965 8.873 12.839 1.00 2.49 H new ATOM 0 HA ARG A 88 13.344 6.544 14.324 1.00 2.70 H new ATOM 0 HB2 ARG A 88 13.823 9.457 15.070 1.00 3.45 H new ATOM 0 HB3 ARG A 88 14.495 8.085 15.927 1.00 3.45 H new ATOM 0 HG2 ARG A 88 15.039 8.757 13.011 1.00 4.14 H new ATOM 0 HG3 ARG A 88 16.109 9.128 14.348 1.00 4.14 H new ATOM 0 HD2 ARG A 88 15.247 6.348 13.455 1.00 4.97 H new ATOM 0 HD3 ARG A 88 16.826 7.069 13.212 1.00 4.97 H new ATOM 0 HE ARG A 88 16.245 7.111 16.011 1.00 5.51 H new ATOM 0 HH11 ARG A 88 16.958 4.857 13.386 1.00 6.63 H new ATOM 0 HH12 ARG A 88 17.683 3.656 14.460 1.00 6.63 H new ATOM 0 HH21 ARG A 88 17.170 5.557 17.384 1.00 7.05 H new ATOM 0 HH22 ARG A 88 17.802 4.050 16.711 1.00 7.05 H new ATOM 1360 N TRP A 89 11.047 8.556 15.538 1.00 2.49 N ATOM 1361 CA TRP A 89 9.964 8.654 16.515 1.00 2.93 C ATOM 1362 C TRP A 89 9.095 7.401 16.504 1.00 2.93 C ATOM 1363 O TRP A 89 9.184 6.563 17.402 1.00 3.71 O ATOM 1364 CB TRP A 89 9.100 9.888 16.238 1.00 3.69 C ATOM 1365 CG TRP A 89 9.809 11.190 16.464 1.00 4.09 C ATOM 1366 CD1 TRP A 89 11.074 11.517 16.067 1.00 4.50 C ATOM 1367 CD2 TRP A 89 9.292 12.340 17.141 1.00 4.70 C ATOM 1368 NE1 TRP A 89 11.374 12.800 16.456 1.00 5.25 N ATOM 1369 CE2 TRP A 89 10.296 13.327 17.118 1.00 5.32 C ATOM 1370 CE3 TRP A 89 8.076 12.632 17.765 1.00 5.16 C ATOM 1371 CZ2 TRP A 89 10.120 14.583 17.693 1.00 6.18 C ATOM 1372 CZ3 TRP A 89 7.902 13.880 18.336 1.00 6.02 C ATOM 1373 CH2 TRP A 89 8.920 14.842 18.296 1.00 6.44 C ATOM 0 H TRP A 89 11.075 9.319 14.862 1.00 2.49 H new ATOM 0 HA TRP A 89 10.417 8.750 17.502 1.00 2.93 H new ATOM 0 HB2 TRP A 89 8.750 9.850 15.206 1.00 3.69 H new ATOM 0 HB3 TRP A 89 8.217 9.851 16.875 1.00 3.69 H new ATOM 0 HD1 TRP A 89 11.741 10.862 15.526 1.00 4.50 H new ATOM 0 HE1 TRP A 89 12.256 13.282 16.281 1.00 5.25 H new ATOM 0 HE3 TRP A 89 7.286 11.896 17.801 1.00 5.16 H new ATOM 0 HZ2 TRP A 89 10.903 15.326 17.664 1.00 6.18 H new ATOM 0 HZ3 TRP A 89 6.966 14.117 18.821 1.00 6.02 H new ATOM 0 HH2 TRP A 89 8.754 15.807 18.750 1.00 6.44 H new ATOM 1384 N GLY A 90 8.248 7.282 15.486 1.00 2.39 N ATOM 1385 CA GLY A 90 7.369 6.132 15.385 1.00 2.51 C ATOM 1386 C GLY A 90 6.442 6.203 14.182 1.00 2.11 C ATOM 1387 O GLY A 90 6.394 5.263 13.386 1.00 2.15 O ATOM 0 H GLY A 90 8.155 7.961 14.730 1.00 2.39 H new ATOM 0 HA2 GLY A 90 7.970 5.225 15.321 1.00 2.51 H new ATOM 0 HA3 GLY A 90 6.772 6.056 16.294 1.00 2.51 H new ATOM 1391 N PRO A 91 5.682 7.307 14.022 1.00 1.87 N ATOM 1392 CA PRO A 91 4.753 7.480 12.904 1.00 1.71 C ATOM 1393 C PRO A 91 5.359 7.066 11.567 1.00 1.71 C ATOM 1394 O PRO A 91 6.396 7.583 11.153 1.00 2.14 O ATOM 1395 CB PRO A 91 4.440 8.987 12.909 1.00 1.86 C ATOM 1396 CG PRO A 91 5.305 9.588 13.973 1.00 2.00 C ATOM 1397 CD PRO A 91 5.660 8.473 14.911 1.00 1.98 C ATOM 0 HA PRO A 91 3.870 6.852 13.021 1.00 1.71 H new ATOM 0 HB2 PRO A 91 4.652 9.432 11.937 1.00 1.86 H new ATOM 0 HB3 PRO A 91 3.385 9.165 13.118 1.00 1.86 H new ATOM 0 HG2 PRO A 91 6.202 10.031 13.540 1.00 2.00 H new ATOM 0 HG3 PRO A 91 4.778 10.384 14.498 1.00 2.00 H new ATOM 0 HD2 PRO A 91 6.625 8.637 15.390 1.00 1.98 H new ATOM 0 HD3 PRO A 91 4.924 8.363 15.707 1.00 1.98 H new ATOM 1405 N ARG A 92 4.696 6.126 10.900 1.00 2.00 N ATOM 1406 CA ARG A 92 5.146 5.624 9.605 1.00 2.09 C ATOM 1407 C ARG A 92 5.187 6.743 8.568 1.00 1.39 C ATOM 1408 O ARG A 92 4.170 7.374 8.296 1.00 1.88 O ATOM 1409 CB ARG A 92 4.204 4.511 9.139 1.00 3.24 C ATOM 1410 CG ARG A 92 4.494 3.997 7.740 1.00 4.14 C ATOM 1411 CD ARG A 92 3.486 2.937 7.326 1.00 4.91 C ATOM 1412 NE ARG A 92 2.117 3.443 7.348 1.00 5.90 N ATOM 1413 CZ ARG A 92 1.052 2.709 7.037 1.00 6.64 C ATOM 1414 NH1 ARG A 92 1.198 1.439 6.683 1.00 6.67 N ATOM 1415 NH2 ARG A 92 -0.160 3.245 7.082 1.00 7.60 N ATOM 0 H ARG A 92 3.837 5.693 11.239 1.00 2.00 H new ATOM 0 HA ARG A 92 6.156 5.230 9.714 1.00 2.09 H new ATOM 0 HB2 ARG A 92 4.267 3.679 9.840 1.00 3.24 H new ATOM 0 HB3 ARG A 92 3.179 4.880 9.174 1.00 3.24 H new ATOM 0 HG2 ARG A 92 4.467 4.825 7.032 1.00 4.14 H new ATOM 0 HG3 ARG A 92 5.500 3.580 7.704 1.00 4.14 H new ATOM 0 HD2 ARG A 92 3.725 2.582 6.323 1.00 4.91 H new ATOM 0 HD3 ARG A 92 3.566 2.080 7.995 1.00 4.91 H new ATOM 0 HE ARG A 92 1.968 4.415 7.617 1.00 5.90 H new ATOM 0 HH11 ARG A 92 2.129 1.023 6.649 1.00 6.67 H new ATOM 0 HH12 ARG A 92 0.380 0.879 6.445 1.00 6.67 H new ATOM 0 HH21 ARG A 92 -0.276 4.221 7.355 1.00 7.60 H new ATOM 0 HH22 ARG A 92 -0.976 2.681 6.843 1.00 7.60 H new ATOM 1429 N THR A 93 6.357 6.973 7.975 1.00 1.14 N ATOM 1430 CA THR A 93 6.507 8.007 6.961 1.00 1.33 C ATOM 1431 C THR A 93 6.140 7.451 5.603 1.00 1.11 C ATOM 1432 O THR A 93 5.564 8.144 4.768 1.00 1.61 O ATOM 1433 CB THR A 93 7.947 8.519 6.942 1.00 1.94 C ATOM 1434 OG1 THR A 93 8.134 9.453 5.896 1.00 2.57 O ATOM 1435 CG2 THR A 93 8.973 7.421 6.764 1.00 2.58 C ATOM 0 H THR A 93 7.212 6.456 8.181 1.00 1.14 H new ATOM 0 HA THR A 93 5.841 8.836 7.200 1.00 1.33 H new ATOM 0 HB THR A 93 8.099 8.981 7.917 1.00 1.94 H new ATOM 0 HG1 THR A 93 9.090 9.529 5.692 1.00 2.57 H new ATOM 0 HG21 THR A 93 9.973 7.855 6.760 1.00 2.58 H new ATOM 0 HG22 THR A 93 8.890 6.709 7.585 1.00 2.58 H new ATOM 0 HG23 THR A 93 8.796 6.907 5.819 1.00 2.58 H new ATOM 1443 N LEU A 94 6.482 6.192 5.397 1.00 0.80 N ATOM 1444 CA LEU A 94 6.201 5.531 4.142 1.00 0.54 C ATOM 1445 C LEU A 94 6.483 4.041 4.256 1.00 0.52 C ATOM 1446 O LEU A 94 7.544 3.626 4.720 1.00 0.65 O ATOM 1447 CB LEU A 94 7.050 6.166 3.041 1.00 0.48 C ATOM 1448 CG LEU A 94 6.769 5.709 1.607 1.00 0.52 C ATOM 1449 CD1 LEU A 94 7.460 6.648 0.636 1.00 1.39 C ATOM 1450 CD2 LEU A 94 7.241 4.280 1.368 1.00 1.37 C ATOM 0 H LEU A 94 6.956 5.608 6.086 1.00 0.80 H new ATOM 0 HA LEU A 94 5.147 5.652 3.891 1.00 0.54 H new ATOM 0 HB2 LEU A 94 6.914 7.247 3.087 1.00 0.48 H new ATOM 0 HB3 LEU A 94 8.099 5.967 3.262 1.00 0.48 H new ATOM 0 HG LEU A 94 5.691 5.732 1.448 1.00 0.52 H new ATOM 0 HD11 LEU A 94 7.262 6.325 -0.386 1.00 1.39 H new ATOM 0 HD12 LEU A 94 7.081 7.660 0.777 1.00 1.39 H new ATOM 0 HD13 LEU A 94 8.534 6.634 0.819 1.00 1.39 H new ATOM 0 HD21 LEU A 94 7.024 3.992 0.339 1.00 1.37 H new ATOM 0 HD22 LEU A 94 8.315 4.217 1.543 1.00 1.37 H new ATOM 0 HD23 LEU A 94 6.722 3.607 2.050 1.00 1.37 H new ATOM 1462 N ASP A 95 5.519 3.246 3.820 1.00 0.49 N ATOM 1463 CA ASP A 95 5.638 1.800 3.852 1.00 0.56 C ATOM 1464 C ASP A 95 4.578 1.188 2.955 1.00 0.48 C ATOM 1465 O ASP A 95 3.380 1.386 3.164 1.00 0.65 O ATOM 1466 CB ASP A 95 5.492 1.277 5.282 1.00 0.87 C ATOM 1467 CG ASP A 95 5.717 -0.220 5.386 1.00 1.51 C ATOM 1468 OD1 ASP A 95 6.021 -0.846 4.349 1.00 1.92 O ATOM 1469 OD2 ASP A 95 5.589 -0.767 6.502 1.00 2.19 O ATOM 0 H ASP A 95 4.637 3.584 3.436 1.00 0.49 H new ATOM 0 HA ASP A 95 6.626 1.517 3.489 1.00 0.56 H new ATOM 0 HB2 ASP A 95 6.204 1.792 5.927 1.00 0.87 H new ATOM 0 HB3 ASP A 95 4.495 1.517 5.652 1.00 0.87 H new ATOM 1474 N LEU A 96 5.025 0.469 1.940 1.00 0.48 N ATOM 1475 CA LEU A 96 4.113 -0.144 0.995 1.00 0.63 C ATOM 1476 C LEU A 96 4.368 -1.638 0.873 1.00 0.60 C ATOM 1477 O LEU A 96 5.512 -2.093 0.881 1.00 0.76 O ATOM 1478 CB LEU A 96 4.249 0.541 -0.363 1.00 0.97 C ATOM 1479 CG LEU A 96 5.665 0.559 -0.938 1.00 0.98 C ATOM 1480 CD1 LEU A 96 5.927 -0.694 -1.759 1.00 1.91 C ATOM 1481 CD2 LEU A 96 5.884 1.813 -1.767 1.00 2.04 C ATOM 0 H LEU A 96 6.012 0.297 1.751 1.00 0.48 H new ATOM 0 HA LEU A 96 3.094 -0.016 1.360 1.00 0.63 H new ATOM 0 HB2 LEU A 96 3.591 0.040 -1.073 1.00 0.97 H new ATOM 0 HB3 LEU A 96 3.897 1.569 -0.272 1.00 0.97 H new ATOM 0 HG LEU A 96 6.376 0.571 -0.112 1.00 0.98 H new ATOM 0 HD11 LEU A 96 6.940 -0.661 -2.159 1.00 1.91 H new ATOM 0 HD12 LEU A 96 5.815 -1.574 -1.126 1.00 1.91 H new ATOM 0 HD13 LEU A 96 5.214 -0.746 -2.581 1.00 1.91 H new ATOM 0 HD21 LEU A 96 6.897 1.811 -2.169 1.00 2.04 H new ATOM 0 HD22 LEU A 96 5.167 1.836 -2.588 1.00 2.04 H new ATOM 0 HD23 LEU A 96 5.745 2.693 -1.139 1.00 2.04 H new ATOM 1493 N ASP A 97 3.286 -2.390 0.759 1.00 0.55 N ATOM 1494 CA ASP A 97 3.364 -3.839 0.630 1.00 0.62 C ATOM 1495 C ASP A 97 2.239 -4.338 -0.227 1.00 0.56 C ATOM 1496 O ASP A 97 1.141 -3.785 -0.230 1.00 0.70 O ATOM 1497 CB ASP A 97 3.339 -4.515 2.004 1.00 0.79 C ATOM 1498 CG ASP A 97 2.109 -4.147 2.813 1.00 1.45 C ATOM 1499 OD1 ASP A 97 0.986 -4.455 2.360 1.00 2.17 O ATOM 1500 OD2 ASP A 97 2.267 -3.550 3.899 1.00 1.98 O ATOM 0 H ASP A 97 2.336 -2.019 0.753 1.00 0.55 H new ATOM 0 HA ASP A 97 4.310 -4.093 0.152 1.00 0.62 H new ATOM 0 HB2 ASP A 97 3.373 -5.597 1.873 1.00 0.79 H new ATOM 0 HB3 ASP A 97 4.233 -4.233 2.560 1.00 0.79 H new ATOM 1505 N ILE A 98 2.535 -5.371 -0.983 1.00 0.69 N ATOM 1506 CA ILE A 98 1.569 -5.933 -1.879 1.00 0.63 C ATOM 1507 C ILE A 98 0.392 -6.538 -1.121 1.00 0.67 C ATOM 1508 O ILE A 98 0.548 -7.070 -0.020 1.00 0.93 O ATOM 1509 CB ILE A 98 2.220 -6.981 -2.792 1.00 0.74 C ATOM 1510 CG1 ILE A 98 1.456 -7.019 -4.102 1.00 1.91 C ATOM 1511 CG2 ILE A 98 2.246 -8.350 -2.122 1.00 1.40 C ATOM 1512 CD1 ILE A 98 1.859 -8.143 -5.027 1.00 2.73 C ATOM 0 H ILE A 98 3.443 -5.836 -0.990 1.00 0.69 H new ATOM 0 HA ILE A 98 1.184 -5.124 -2.500 1.00 0.63 H new ATOM 0 HB ILE A 98 3.257 -6.707 -2.987 1.00 0.74 H new ATOM 0 HG12 ILE A 98 0.391 -7.107 -3.885 1.00 1.91 H new ATOM 0 HG13 ILE A 98 1.598 -6.070 -4.619 1.00 1.91 H new ATOM 0 HG21 ILE A 98 2.712 -9.074 -2.791 1.00 1.40 H new ATOM 0 HG22 ILE A 98 2.818 -8.291 -1.196 1.00 1.40 H new ATOM 0 HG23 ILE A 98 1.227 -8.666 -1.900 1.00 1.40 H new ATOM 0 HD11 ILE A 98 1.263 -8.095 -5.939 1.00 2.73 H new ATOM 0 HD12 ILE A 98 2.915 -8.047 -5.278 1.00 2.73 H new ATOM 0 HD13 ILE A 98 1.689 -9.100 -4.533 1.00 2.73 H new ATOM 1524 N MET A 99 -0.778 -6.471 -1.738 1.00 0.53 N ATOM 1525 CA MET A 99 -1.990 -7.021 -1.171 1.00 0.63 C ATOM 1526 C MET A 99 -2.424 -8.174 -2.034 1.00 0.63 C ATOM 1527 O MET A 99 -3.350 -8.911 -1.697 1.00 0.87 O ATOM 1528 CB MET A 99 -3.100 -5.969 -1.103 1.00 0.70 C ATOM 1529 CG MET A 99 -3.148 -5.206 0.209 1.00 0.93 C ATOM 1530 SD MET A 99 -1.599 -4.370 0.593 1.00 1.77 S ATOM 1531 CE MET A 99 -2.012 -3.604 2.157 1.00 2.48 C ATOM 0 H MET A 99 -0.909 -6.031 -2.649 1.00 0.53 H new ATOM 0 HA MET A 99 -1.795 -7.354 -0.152 1.00 0.63 H new ATOM 0 HB2 MET A 99 -2.965 -5.260 -1.919 1.00 0.70 H new ATOM 0 HB3 MET A 99 -4.061 -6.459 -1.262 1.00 0.70 H new ATOM 0 HG2 MET A 99 -3.951 -4.470 0.166 1.00 0.93 H new ATOM 0 HG3 MET A 99 -3.392 -5.897 1.016 1.00 0.93 H new ATOM 0 HE1 MET A 99 -1.250 -2.868 2.414 1.00 2.48 H new ATOM 0 HE2 MET A 99 -2.980 -3.110 2.076 1.00 2.48 H new ATOM 0 HE3 MET A 99 -2.058 -4.366 2.935 1.00 2.48 H new ATOM 1541 N LEU A 100 -1.738 -8.309 -3.168 1.00 0.51 N ATOM 1542 CA LEU A 100 -2.037 -9.367 -4.110 1.00 0.55 C ATOM 1543 C LEU A 100 -1.107 -9.347 -5.323 1.00 0.54 C ATOM 1544 O LEU A 100 -1.024 -8.346 -6.028 1.00 0.76 O ATOM 1545 CB LEU A 100 -3.473 -9.242 -4.590 1.00 0.75 C ATOM 1546 CG LEU A 100 -3.856 -10.317 -5.575 1.00 1.12 C ATOM 1547 CD1 LEU A 100 -4.987 -11.161 -5.027 1.00 1.87 C ATOM 1548 CD2 LEU A 100 -4.231 -9.721 -6.916 1.00 1.69 C ATOM 0 H LEU A 100 -0.973 -7.695 -3.449 1.00 0.51 H new ATOM 0 HA LEU A 100 -1.888 -10.311 -3.586 1.00 0.55 H new ATOM 0 HB2 LEU A 100 -4.143 -9.287 -3.732 1.00 0.75 H new ATOM 0 HB3 LEU A 100 -3.613 -8.265 -5.053 1.00 0.75 H new ATOM 0 HG LEU A 100 -2.989 -10.960 -5.727 1.00 1.12 H new ATOM 0 HD11 LEU A 100 -5.250 -11.932 -5.752 1.00 1.87 H new ATOM 0 HD12 LEU A 100 -4.672 -11.631 -4.095 1.00 1.87 H new ATOM 0 HD13 LEU A 100 -5.855 -10.529 -4.839 1.00 1.87 H new ATOM 0 HD21 LEU A 100 -4.503 -10.520 -7.606 1.00 1.69 H new ATOM 0 HD22 LEU A 100 -5.078 -9.047 -6.790 1.00 1.69 H new ATOM 0 HD23 LEU A 100 -3.383 -9.167 -7.318 1.00 1.69 H new ATOM 1560 N PHE A 101 -0.436 -10.469 -5.580 1.00 0.46 N ATOM 1561 CA PHE A 101 0.460 -10.584 -6.732 1.00 0.46 C ATOM 1562 C PHE A 101 -0.250 -11.341 -7.854 1.00 0.51 C ATOM 1563 O PHE A 101 -0.069 -12.549 -8.012 1.00 0.58 O ATOM 1564 CB PHE A 101 1.748 -11.310 -6.328 1.00 0.45 C ATOM 1565 CG PHE A 101 2.822 -11.298 -7.381 1.00 0.51 C ATOM 1566 CD1 PHE A 101 3.231 -10.105 -7.956 1.00 0.56 C ATOM 1567 CD2 PHE A 101 3.414 -12.479 -7.803 1.00 0.58 C ATOM 1568 CE1 PHE A 101 4.212 -10.090 -8.930 1.00 0.65 C ATOM 1569 CE2 PHE A 101 4.394 -12.469 -8.777 1.00 0.68 C ATOM 1570 CZ PHE A 101 4.821 -11.280 -9.315 1.00 0.71 C ATOM 0 H PHE A 101 -0.495 -11.311 -5.007 1.00 0.46 H new ATOM 0 HA PHE A 101 0.724 -9.588 -7.086 1.00 0.46 H new ATOM 0 HB2 PHE A 101 2.140 -10.851 -5.420 1.00 0.45 H new ATOM 0 HB3 PHE A 101 1.507 -12.344 -6.084 1.00 0.45 H new ATOM 0 HD1 PHE A 101 2.778 -9.177 -7.640 1.00 0.56 H new ATOM 0 HD2 PHE A 101 3.106 -13.417 -7.365 1.00 0.58 H new ATOM 0 HE1 PHE A 101 4.504 -9.158 -9.390 1.00 0.65 H new ATOM 0 HE2 PHE A 101 4.825 -13.399 -9.116 1.00 0.68 H new ATOM 0 HZ PHE A 101 5.627 -11.269 -10.034 1.00 0.71 H new ATOM 1580 N GLY A 102 -1.082 -10.625 -8.611 1.00 0.54 N ATOM 1581 CA GLY A 102 -1.840 -11.243 -9.686 1.00 0.65 C ATOM 1582 C GLY A 102 -3.093 -11.927 -9.164 1.00 0.67 C ATOM 1583 O GLY A 102 -4.164 -11.804 -9.757 1.00 0.99 O ATOM 0 H GLY A 102 -1.244 -9.624 -8.497 1.00 0.54 H new ATOM 0 HA2 GLY A 102 -2.117 -10.486 -10.419 1.00 0.65 H new ATOM 0 HA3 GLY A 102 -1.214 -11.972 -10.201 1.00 0.65 H new ATOM 1587 N ASN A 103 -2.916 -12.635 -8.042 1.00 0.58 N ATOM 1588 CA ASN A 103 -3.964 -13.387 -7.331 1.00 0.64 C ATOM 1589 C ASN A 103 -3.391 -14.744 -6.945 1.00 0.71 C ATOM 1590 O ASN A 103 -4.084 -15.613 -6.420 1.00 1.08 O ATOM 1591 CB ASN A 103 -5.256 -13.565 -8.145 1.00 0.78 C ATOM 1592 CG ASN A 103 -5.130 -14.606 -9.243 1.00 1.18 C ATOM 1593 OD1 ASN A 103 -4.892 -15.785 -8.978 1.00 2.12 O ATOM 1594 ND2 ASN A 103 -5.295 -14.176 -10.487 1.00 1.38 N ATOM 0 H ASN A 103 -2.007 -12.704 -7.585 1.00 0.58 H new ATOM 0 HA ASN A 103 -4.251 -12.811 -6.451 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -6.065 -13.851 -7.473 1.00 0.78 H new ATOM 0 HB3 ASN A 103 -5.533 -12.609 -8.589 1.00 0.78 H new ATOM 0 HD21 ASN A 103 -5.226 -14.831 -11.266 1.00 1.38 H new ATOM 0 HD22 ASN A 103 -5.491 -13.191 -10.664 1.00 1.38 H new ATOM 1601 N GLU A 104 -2.098 -14.891 -7.222 1.00 0.53 N ATOM 1602 CA GLU A 104 -1.351 -16.108 -6.929 1.00 0.61 C ATOM 1603 C GLU A 104 -1.350 -16.383 -5.426 1.00 0.64 C ATOM 1604 O GLU A 104 -1.992 -15.671 -4.660 1.00 0.84 O ATOM 1605 CB GLU A 104 0.084 -15.934 -7.448 1.00 0.70 C ATOM 1606 CG GLU A 104 0.936 -17.191 -7.400 1.00 1.16 C ATOM 1607 CD GLU A 104 2.258 -17.031 -8.123 1.00 1.28 C ATOM 1608 OE1 GLU A 104 2.241 -16.688 -9.324 1.00 1.79 O ATOM 1609 OE2 GLU A 104 3.312 -17.240 -7.486 1.00 1.87 O ATOM 0 H GLU A 104 -1.536 -14.161 -7.660 1.00 0.53 H new ATOM 0 HA GLU A 104 -1.819 -16.960 -7.422 1.00 0.61 H new ATOM 0 HB2 GLU A 104 0.042 -15.579 -8.478 1.00 0.70 H new ATOM 0 HB3 GLU A 104 0.575 -15.157 -6.863 1.00 0.70 H new ATOM 0 HG2 GLU A 104 1.125 -17.457 -6.360 1.00 1.16 H new ATOM 0 HG3 GLU A 104 0.382 -18.018 -7.844 1.00 1.16 H new ATOM 1616 N VAL A 105 -0.627 -17.410 -4.999 1.00 0.62 N ATOM 1617 CA VAL A 105 -0.551 -17.736 -3.587 1.00 0.66 C ATOM 1618 C VAL A 105 0.901 -17.734 -3.125 1.00 0.70 C ATOM 1619 O VAL A 105 1.558 -18.775 -3.087 1.00 0.83 O ATOM 1620 CB VAL A 105 -1.187 -19.105 -3.280 1.00 0.75 C ATOM 1621 CG1 VAL A 105 -1.144 -19.396 -1.786 1.00 1.18 C ATOM 1622 CG2 VAL A 105 -2.616 -19.155 -3.799 1.00 0.95 C ATOM 0 H VAL A 105 -0.089 -18.026 -5.608 1.00 0.62 H new ATOM 0 HA VAL A 105 -1.112 -16.974 -3.046 1.00 0.66 H new ATOM 0 HB VAL A 105 -0.609 -19.875 -3.791 1.00 0.75 H new ATOM 0 HG11 VAL A 105 -1.598 -20.368 -1.591 1.00 1.18 H new ATOM 0 HG12 VAL A 105 -0.108 -19.405 -1.447 1.00 1.18 H new ATOM 0 HG13 VAL A 105 -1.695 -18.624 -1.249 1.00 1.18 H new ATOM 0 HG21 VAL A 105 -3.051 -20.129 -3.574 1.00 0.95 H new ATOM 0 HG22 VAL A 105 -3.205 -18.374 -3.318 1.00 0.95 H new ATOM 0 HG23 VAL A 105 -2.617 -18.998 -4.878 1.00 0.95 H new ATOM 1632 N ILE A 106 1.390 -16.549 -2.775 1.00 0.65 N ATOM 1633 CA ILE A 106 2.760 -16.390 -2.315 1.00 0.72 C ATOM 1634 C ILE A 106 2.795 -15.780 -0.918 1.00 0.77 C ATOM 1635 O ILE A 106 2.612 -14.575 -0.752 1.00 0.84 O ATOM 1636 CB ILE A 106 3.577 -15.500 -3.278 1.00 0.81 C ATOM 1637 CG1 ILE A 106 3.855 -16.227 -4.595 1.00 0.76 C ATOM 1638 CG2 ILE A 106 4.883 -15.062 -2.626 1.00 1.33 C ATOM 1639 CD1 ILE A 106 4.697 -15.417 -5.566 1.00 0.76 C ATOM 0 H ILE A 106 0.853 -15.682 -2.802 1.00 0.65 H new ATOM 0 HA ILE A 106 3.208 -17.383 -2.288 1.00 0.72 H new ATOM 0 HB ILE A 106 2.984 -14.612 -3.499 1.00 0.81 H new ATOM 0 HG12 ILE A 106 4.363 -17.167 -4.382 1.00 0.76 H new ATOM 0 HG13 ILE A 106 2.907 -16.478 -5.070 1.00 0.76 H new ATOM 0 HG21 ILE A 106 5.444 -14.436 -3.320 1.00 1.33 H new ATOM 0 HG22 ILE A 106 4.666 -14.495 -1.721 1.00 1.33 H new ATOM 0 HG23 ILE A 106 5.475 -15.941 -2.370 1.00 1.33 H new ATOM 0 HD11 ILE A 106 4.855 -15.993 -6.478 1.00 0.76 H new ATOM 0 HD12 ILE A 106 4.181 -14.488 -5.808 1.00 0.76 H new ATOM 0 HD13 ILE A 106 5.660 -15.188 -5.109 1.00 0.76 H new ATOM 1651 N ASN A 107 3.036 -16.617 0.084 1.00 0.80 N ATOM 1652 CA ASN A 107 3.102 -16.156 1.466 1.00 0.91 C ATOM 1653 C ASN A 107 4.478 -16.421 2.064 1.00 0.92 C ATOM 1654 O ASN A 107 4.819 -17.560 2.385 1.00 1.03 O ATOM 1655 CB ASN A 107 2.019 -16.828 2.313 1.00 1.00 C ATOM 1656 CG ASN A 107 0.623 -16.340 1.973 1.00 1.11 C ATOM 1657 OD1 ASN A 107 0.537 -15.314 1.134 1.00 1.79 O flip ATOM 1658 ND2 ASN A 107 -0.369 -16.871 2.473 1.00 1.12 N flip ATOM 0 H ASN A 107 3.189 -17.618 -0.034 1.00 0.80 H new ATOM 0 HA ASN A 107 2.928 -15.080 1.468 1.00 0.91 H new ATOM 0 HB2 ASN A 107 2.068 -17.907 2.168 1.00 1.00 H new ATOM 0 HB3 ASN A 107 2.219 -16.639 3.368 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -0.258 -17.657 3.113 1.00 1.12 H new ATOM 0 HD22 ASN A 107 -1.301 -16.525 2.247 1.00 1.12 H new ATOM 1665 N THR A 108 5.264 -15.359 2.211 1.00 0.92 N ATOM 1666 CA THR A 108 6.604 -15.469 2.772 1.00 1.01 C ATOM 1667 C THR A 108 6.796 -14.467 3.905 1.00 1.15 C ATOM 1668 O THR A 108 6.856 -14.847 5.075 1.00 1.79 O ATOM 1669 CB THR A 108 7.659 -15.249 1.686 1.00 1.00 C ATOM 1670 OG1 THR A 108 7.489 -13.988 1.064 1.00 1.66 O ATOM 1671 CG2 THR A 108 7.628 -16.301 0.599 1.00 1.26 C ATOM 0 H THR A 108 4.994 -14.411 1.948 1.00 0.92 H new ATOM 0 HA THR A 108 6.724 -16.474 3.176 1.00 1.01 H new ATOM 0 HB THR A 108 8.617 -15.308 2.203 1.00 1.00 H new ATOM 0 HG1 THR A 108 8.175 -13.868 0.375 1.00 1.66 H new ATOM 0 HG21 THR A 108 8.401 -16.085 -0.138 1.00 1.26 H new ATOM 0 HG22 THR A 108 7.809 -17.283 1.037 1.00 1.26 H new ATOM 0 HG23 THR A 108 6.652 -16.294 0.114 1.00 1.26 H new ATOM 1679 N GLU A 109 6.886 -13.186 3.549 1.00 0.95 N ATOM 1680 CA GLU A 109 7.067 -12.125 4.535 1.00 1.05 C ATOM 1681 C GLU A 109 7.140 -10.756 3.864 1.00 1.06 C ATOM 1682 O GLU A 109 6.985 -9.725 4.519 1.00 1.32 O ATOM 1683 CB GLU A 109 8.337 -12.368 5.353 1.00 1.20 C ATOM 1684 CG GLU A 109 8.561 -11.347 6.457 1.00 1.46 C ATOM 1685 CD GLU A 109 9.795 -11.644 7.285 1.00 2.13 C ATOM 1686 OE1 GLU A 109 10.901 -11.686 6.707 1.00 2.74 O ATOM 1687 OE2 GLU A 109 9.655 -11.838 8.510 1.00 2.57 O ATOM 0 H GLU A 109 6.836 -12.859 2.584 1.00 0.95 H new ATOM 0 HA GLU A 109 6.203 -12.138 5.200 1.00 1.05 H new ATOM 0 HB2 GLU A 109 8.288 -13.363 5.796 1.00 1.20 H new ATOM 0 HB3 GLU A 109 9.197 -12.359 4.683 1.00 1.20 H new ATOM 0 HG2 GLU A 109 8.655 -10.355 6.015 1.00 1.46 H new ATOM 0 HG3 GLU A 109 7.688 -11.325 7.109 1.00 1.46 H new ATOM 1694 N ARG A 110 7.386 -10.747 2.555 1.00 0.93 N ATOM 1695 CA ARG A 110 7.489 -9.493 1.815 1.00 0.97 C ATOM 1696 C ARG A 110 6.359 -9.325 0.803 1.00 0.79 C ATOM 1697 O ARG A 110 6.091 -8.209 0.359 1.00 0.87 O ATOM 1698 CB ARG A 110 8.830 -9.395 1.081 1.00 1.17 C ATOM 1699 CG ARG A 110 10.040 -9.274 1.994 1.00 1.05 C ATOM 1700 CD ARG A 110 10.353 -10.591 2.686 1.00 1.57 C ATOM 1701 NE ARG A 110 11.540 -10.502 3.534 1.00 2.14 N ATOM 1702 CZ ARG A 110 11.622 -9.735 4.617 1.00 2.68 C ATOM 1703 NH1 ARG A 110 10.585 -9.000 5.000 1.00 2.96 N ATOM 1704 NH2 ARG A 110 12.742 -9.707 5.326 1.00 3.52 N ATOM 0 H ARG A 110 7.516 -11.586 1.990 1.00 0.93 H new ATOM 0 HA ARG A 110 7.414 -8.696 2.554 1.00 0.97 H new ATOM 0 HB2 ARG A 110 8.951 -10.277 0.453 1.00 1.17 H new ATOM 0 HB3 ARG A 110 8.804 -8.531 0.416 1.00 1.17 H new ATOM 0 HG2 ARG A 110 10.904 -8.953 1.413 1.00 1.05 H new ATOM 0 HG3 ARG A 110 9.856 -8.504 2.743 1.00 1.05 H new ATOM 0 HD2 ARG A 110 9.498 -10.893 3.291 1.00 1.57 H new ATOM 0 HD3 ARG A 110 10.502 -11.367 1.935 1.00 1.57 H new ATOM 0 HE ARG A 110 12.354 -11.062 3.280 1.00 2.14 H new ATOM 0 HH11 ARG A 110 9.718 -9.021 4.462 1.00 2.96 H new ATOM 0 HH12 ARG A 110 10.655 -8.414 5.832 1.00 2.96 H new ATOM 0 HH21 ARG A 110 13.541 -10.274 5.041 1.00 3.52 H new ATOM 0 HH22 ARG A 110 12.805 -9.119 6.157 1.00 3.52 H new ATOM 1718 N LEU A 111 5.710 -10.420 0.407 1.00 0.72 N ATOM 1719 CA LEU A 111 4.643 -10.315 -0.583 1.00 0.75 C ATOM 1720 C LEU A 111 3.539 -11.357 -0.410 1.00 0.66 C ATOM 1721 O LEU A 111 3.278 -12.152 -1.312 1.00 0.70 O ATOM 1722 CB LEU A 111 5.229 -10.414 -1.995 1.00 0.95 C ATOM 1723 CG LEU A 111 5.748 -11.792 -2.421 1.00 0.69 C ATOM 1724 CD1 LEU A 111 6.246 -11.739 -3.852 1.00 0.95 C ATOM 1725 CD2 LEU A 111 6.852 -12.278 -1.491 1.00 1.36 C ATOM 0 H LEU A 111 5.898 -11.364 0.746 1.00 0.72 H new ATOM 0 HA LEU A 111 4.178 -9.341 -0.428 1.00 0.75 H new ATOM 0 HB2 LEU A 111 4.463 -10.102 -2.706 1.00 0.95 H new ATOM 0 HB3 LEU A 111 6.049 -9.700 -2.076 1.00 0.95 H new ATOM 0 HG LEU A 111 4.923 -12.502 -2.357 1.00 0.69 H new ATOM 0 HD11 LEU A 111 6.613 -12.722 -4.146 1.00 0.95 H new ATOM 0 HD12 LEU A 111 5.429 -11.444 -4.511 1.00 0.95 H new ATOM 0 HD13 LEU A 111 7.055 -11.012 -3.929 1.00 0.95 H new ATOM 0 HD21 LEU A 111 7.199 -13.258 -1.819 1.00 1.36 H new ATOM 0 HD22 LEU A 111 7.683 -11.573 -1.513 1.00 1.36 H new ATOM 0 HD23 LEU A 111 6.465 -12.352 -0.475 1.00 1.36 H new ATOM 1737 N THR A 112 2.848 -11.324 0.718 1.00 0.71 N ATOM 1738 CA THR A 112 1.750 -12.248 0.927 1.00 0.67 C ATOM 1739 C THR A 112 0.593 -11.852 0.010 1.00 0.66 C ATOM 1740 O THR A 112 -0.122 -10.888 0.285 1.00 0.82 O ATOM 1741 CB THR A 112 1.325 -12.246 2.398 1.00 0.74 C ATOM 1742 OG1 THR A 112 0.127 -12.977 2.578 1.00 0.75 O ATOM 1743 CG2 THR A 112 1.121 -10.858 2.968 1.00 0.83 C ATOM 0 H THR A 112 3.024 -10.680 1.489 1.00 0.71 H new ATOM 0 HA THR A 112 2.064 -13.263 0.682 1.00 0.67 H new ATOM 0 HB THR A 112 2.151 -12.714 2.934 1.00 0.74 H new ATOM 0 HG1 THR A 112 0.180 -13.820 2.081 1.00 0.75 H new ATOM 0 HG21 THR A 112 0.821 -10.934 4.013 1.00 0.83 H new ATOM 0 HG22 THR A 112 2.052 -10.295 2.898 1.00 0.83 H new ATOM 0 HG23 THR A 112 0.343 -10.344 2.404 1.00 0.83 H new ATOM 1751 N VAL A 113 0.430 -12.581 -1.099 1.00 0.60 N ATOM 1752 CA VAL A 113 -0.624 -12.275 -2.062 1.00 0.61 C ATOM 1753 C VAL A 113 -1.973 -12.203 -1.363 1.00 0.64 C ATOM 1754 O VAL A 113 -2.555 -11.127 -1.278 1.00 0.80 O ATOM 1755 CB VAL A 113 -0.661 -13.282 -3.225 1.00 0.64 C ATOM 1756 CG1 VAL A 113 -1.796 -12.945 -4.180 1.00 1.27 C ATOM 1757 CG2 VAL A 113 0.672 -13.299 -3.954 1.00 1.38 C ATOM 0 H VAL A 113 1.012 -13.381 -1.348 1.00 0.60 H new ATOM 0 HA VAL A 113 -0.398 -11.301 -2.495 1.00 0.61 H new ATOM 0 HB VAL A 113 -0.840 -14.278 -2.820 1.00 0.64 H new ATOM 0 HG11 VAL A 113 -1.810 -13.666 -4.998 1.00 1.27 H new ATOM 0 HG12 VAL A 113 -2.745 -12.984 -3.645 1.00 1.27 H new ATOM 0 HG13 VAL A 113 -1.648 -11.943 -4.582 1.00 1.27 H new ATOM 0 HG21 VAL A 113 0.629 -14.016 -4.774 1.00 1.38 H new ATOM 0 HG22 VAL A 113 0.882 -12.306 -4.351 1.00 1.38 H new ATOM 0 HG23 VAL A 113 1.462 -13.587 -3.261 1.00 1.38 H new ATOM 1767 N PRO A 114 -2.490 -13.318 -0.813 1.00 0.61 N ATOM 1768 CA PRO A 114 -3.757 -13.280 -0.096 1.00 0.70 C ATOM 1769 C PRO A 114 -3.682 -12.267 1.026 1.00 0.76 C ATOM 1770 O PRO A 114 -4.677 -11.652 1.400 1.00 0.88 O ATOM 1771 CB PRO A 114 -3.912 -14.700 0.447 1.00 0.68 C ATOM 1772 CG PRO A 114 -2.548 -15.288 0.395 1.00 0.83 C ATOM 1773 CD PRO A 114 -1.897 -14.664 -0.797 1.00 0.63 C ATOM 0 HA PRO A 114 -4.601 -12.985 -0.719 1.00 0.70 H new ATOM 0 HB2 PRO A 114 -4.299 -14.692 1.466 1.00 0.68 H new ATOM 0 HB3 PRO A 114 -4.613 -15.278 -0.155 1.00 0.68 H new ATOM 0 HG2 PRO A 114 -1.991 -15.071 1.306 1.00 0.83 H new ATOM 0 HG3 PRO A 114 -2.590 -16.373 0.298 1.00 0.83 H new ATOM 0 HD2 PRO A 114 -0.812 -14.629 -0.695 1.00 0.63 H new ATOM 0 HD3 PRO A 114 -2.114 -15.214 -1.713 1.00 0.63 H new ATOM 1781 N HIS A 115 -2.464 -12.086 1.519 1.00 0.82 N ATOM 1782 CA HIS A 115 -2.173 -11.122 2.577 1.00 0.95 C ATOM 1783 C HIS A 115 -3.131 -11.249 3.751 1.00 0.86 C ATOM 1784 O HIS A 115 -4.308 -10.906 3.646 1.00 0.88 O ATOM 1785 CB HIS A 115 -2.244 -9.708 2.006 1.00 1.14 C ATOM 1786 CG HIS A 115 -1.818 -8.636 2.961 1.00 2.17 C ATOM 1787 ND1 HIS A 115 -2.463 -8.383 4.153 1.00 3.14 N ATOM 1788 CD2 HIS A 115 -0.801 -7.744 2.888 1.00 2.95 C ATOM 1789 CE1 HIS A 115 -1.861 -7.382 4.772 1.00 4.09 C ATOM 1790 NE2 HIS A 115 -0.850 -6.978 4.025 1.00 3.97 N ATOM 0 H HIS A 115 -1.646 -12.604 1.197 1.00 0.82 H new ATOM 0 HA HIS A 115 -1.171 -11.331 2.951 1.00 0.95 H new ATOM 0 HB2 HIS A 115 -1.617 -9.656 1.116 1.00 1.14 H new ATOM 0 HB3 HIS A 115 -3.267 -9.509 1.687 1.00 1.14 H new ATOM 0 HD2 HIS A 115 -0.085 -7.653 2.084 1.00 2.95 H new ATOM 0 HE1 HIS A 115 -2.147 -6.966 5.726 1.00 4.09 H new ATOM 0 HE2 HIS A 115 -0.209 -6.219 4.256 1.00 3.97 H new ATOM 1799 N TYR A 116 -2.624 -11.720 4.882 1.00 1.04 N ATOM 1800 CA TYR A 116 -3.466 -11.855 6.058 1.00 1.14 C ATOM 1801 C TYR A 116 -3.425 -10.581 6.892 1.00 1.04 C ATOM 1802 O TYR A 116 -2.506 -10.384 7.690 1.00 1.47 O ATOM 1803 CB TYR A 116 -3.016 -13.047 6.906 1.00 1.62 C ATOM 1804 CG TYR A 116 -3.896 -13.302 8.112 1.00 2.18 C ATOM 1805 CD1 TYR A 116 -5.264 -13.495 7.971 1.00 3.06 C ATOM 1806 CD2 TYR A 116 -3.357 -13.340 9.392 1.00 2.56 C ATOM 1807 CE1 TYR A 116 -6.070 -13.721 9.071 1.00 4.05 C ATOM 1808 CE2 TYR A 116 -4.156 -13.567 10.496 1.00 3.50 C ATOM 1809 CZ TYR A 116 -5.511 -13.756 10.330 1.00 4.18 C ATOM 1810 OH TYR A 116 -6.309 -13.980 11.428 1.00 5.29 O ATOM 0 H TYR A 116 -1.654 -12.009 5.008 1.00 1.04 H new ATOM 0 HA TYR A 116 -4.490 -12.026 5.726 1.00 1.14 H new ATOM 0 HB2 TYR A 116 -3.002 -13.941 6.282 1.00 1.62 H new ATOM 0 HB3 TYR A 116 -1.993 -12.877 7.243 1.00 1.62 H new ATOM 0 HD1 TYR A 116 -5.705 -13.468 6.986 1.00 3.06 H new ATOM 0 HD2 TYR A 116 -2.296 -13.190 9.526 1.00 2.56 H new ATOM 0 HE1 TYR A 116 -7.132 -13.869 8.944 1.00 4.05 H new ATOM 0 HE2 TYR A 116 -3.721 -13.596 11.484 1.00 3.50 H new ATOM 0 HH TYR A 116 -5.759 -13.975 12.239 1.00 5.29 H new ATOM 1820 N ASP A 117 -4.450 -9.739 6.699 1.00 0.77 N ATOM 1821 CA ASP A 117 -4.606 -8.467 7.415 1.00 0.80 C ATOM 1822 C ASP A 117 -5.362 -7.457 6.555 1.00 0.72 C ATOM 1823 O ASP A 117 -6.043 -6.576 7.082 1.00 0.82 O ATOM 1824 CB ASP A 117 -3.263 -7.865 7.839 1.00 1.03 C ATOM 1825 CG ASP A 117 -3.427 -6.566 8.602 1.00 1.77 C ATOM 1826 OD1 ASP A 117 -4.087 -6.580 9.662 1.00 2.46 O ATOM 1827 OD2 ASP A 117 -2.897 -5.534 8.140 1.00 2.22 O ATOM 0 H ASP A 117 -5.201 -9.925 6.034 1.00 0.77 H new ATOM 0 HA ASP A 117 -5.175 -8.686 8.318 1.00 0.80 H new ATOM 0 HB2 ASP A 117 -2.726 -8.582 8.460 1.00 1.03 H new ATOM 0 HB3 ASP A 117 -2.651 -7.689 6.954 1.00 1.03 H new ATOM 1832 N MET A 118 -5.246 -7.588 5.230 1.00 0.69 N ATOM 1833 CA MET A 118 -5.934 -6.677 4.315 1.00 0.72 C ATOM 1834 C MET A 118 -7.436 -6.759 4.529 1.00 0.71 C ATOM 1835 O MET A 118 -8.183 -5.866 4.130 1.00 0.73 O ATOM 1836 CB MET A 118 -5.584 -6.993 2.851 1.00 0.83 C ATOM 1837 CG MET A 118 -5.844 -8.439 2.462 1.00 1.15 C ATOM 1838 SD MET A 118 -5.204 -8.852 0.824 1.00 2.40 S ATOM 1839 CE MET A 118 -6.126 -7.725 -0.217 1.00 3.10 C ATOM 0 H MET A 118 -4.688 -8.309 4.772 1.00 0.69 H new ATOM 0 HA MET A 118 -5.599 -5.662 4.529 1.00 0.72 H new ATOM 0 HB2 MET A 118 -6.164 -6.340 2.198 1.00 0.83 H new ATOM 0 HB3 MET A 118 -4.532 -6.763 2.680 1.00 0.83 H new ATOM 0 HG2 MET A 118 -5.387 -9.097 3.201 1.00 1.15 H new ATOM 0 HG3 MET A 118 -6.917 -8.629 2.486 1.00 1.15 H new ATOM 0 HE1 MET A 118 -6.070 -8.059 -1.253 1.00 3.10 H new ATOM 0 HE2 MET A 118 -7.168 -7.705 0.102 1.00 3.10 H new ATOM 0 HE3 MET A 118 -5.702 -6.724 -0.135 1.00 3.10 H new ATOM 1849 N LYS A 119 -7.868 -7.824 5.191 1.00 0.80 N ATOM 1850 CA LYS A 119 -9.276 -8.019 5.495 1.00 0.95 C ATOM 1851 C LYS A 119 -9.738 -6.964 6.494 1.00 0.99 C ATOM 1852 O LYS A 119 -10.896 -6.946 6.913 1.00 1.24 O ATOM 1853 CB LYS A 119 -9.502 -9.418 6.071 1.00 1.15 C ATOM 1854 CG LYS A 119 -8.712 -9.689 7.341 1.00 1.30 C ATOM 1855 CD LYS A 119 -8.960 -11.093 7.874 1.00 1.70 C ATOM 1856 CE LYS A 119 -10.421 -11.305 8.241 1.00 2.06 C ATOM 1857 NZ LYS A 119 -10.669 -12.675 8.768 1.00 2.67 N ATOM 0 H LYS A 119 -7.258 -8.569 5.529 1.00 0.80 H new ATOM 0 HA LYS A 119 -9.854 -7.920 4.576 1.00 0.95 H new ATOM 0 HB2 LYS A 119 -10.564 -9.549 6.279 1.00 1.15 H new ATOM 0 HB3 LYS A 119 -9.231 -10.159 5.319 1.00 1.15 H new ATOM 0 HG2 LYS A 119 -7.648 -9.559 7.142 1.00 1.30 H new ATOM 0 HG3 LYS A 119 -8.986 -8.958 8.102 1.00 1.30 H new ATOM 0 HD2 LYS A 119 -8.663 -11.825 7.123 1.00 1.70 H new ATOM 0 HD3 LYS A 119 -8.336 -11.265 8.751 1.00 1.70 H new ATOM 0 HE2 LYS A 119 -10.718 -10.569 8.989 1.00 2.06 H new ATOM 0 HE3 LYS A 119 -11.044 -11.136 7.363 1.00 2.06 H new ATOM 0 HZ1 LYS A 119 -11.676 -12.778 9.006 1.00 2.67 H new ATOM 0 HZ2 LYS A 119 -10.410 -13.377 8.046 1.00 2.67 H new ATOM 0 HZ3 LYS A 119 -10.094 -12.828 9.621 1.00 2.67 H new ATOM 1871 N ASN A 120 -8.807 -6.095 6.878 1.00 0.90 N ATOM 1872 CA ASN A 120 -9.081 -5.037 7.835 1.00 1.04 C ATOM 1873 C ASN A 120 -8.564 -3.691 7.334 1.00 1.08 C ATOM 1874 O ASN A 120 -8.339 -2.774 8.124 1.00 1.35 O ATOM 1875 CB ASN A 120 -8.408 -5.365 9.167 1.00 1.08 C ATOM 1876 CG ASN A 120 -8.972 -6.615 9.815 1.00 1.41 C ATOM 1877 OD1 ASN A 120 -10.162 -6.688 10.123 1.00 1.77 O ATOM 1878 ND2 ASN A 120 -8.113 -7.607 10.026 1.00 1.84 N ATOM 0 H ASN A 120 -7.847 -6.107 6.534 1.00 0.90 H new ATOM 0 HA ASN A 120 -10.161 -4.969 7.964 1.00 1.04 H new ATOM 0 HB2 ASN A 120 -7.338 -5.495 9.006 1.00 1.08 H new ATOM 0 HB3 ASN A 120 -8.528 -4.522 9.847 1.00 1.08 H new ATOM 0 HD21 ASN A 120 -8.431 -8.474 10.460 1.00 1.84 H new ATOM 0 HD22 ASN A 120 -7.136 -7.502 9.754 1.00 1.84 H new ATOM 1885 N ARG A 121 -8.360 -3.579 6.026 1.00 0.93 N ATOM 1886 CA ARG A 121 -7.849 -2.340 5.450 1.00 1.06 C ATOM 1887 C ARG A 121 -8.690 -1.859 4.271 1.00 0.84 C ATOM 1888 O ARG A 121 -8.295 -2.010 3.113 1.00 0.87 O ATOM 1889 CB ARG A 121 -6.396 -2.523 5.010 1.00 1.31 C ATOM 1890 CG ARG A 121 -5.446 -2.826 6.157 1.00 1.14 C ATOM 1891 CD ARG A 121 -4.007 -2.920 5.677 1.00 1.39 C ATOM 1892 NE ARG A 121 -3.080 -3.184 6.775 1.00 1.56 N ATOM 1893 CZ ARG A 121 -1.761 -3.267 6.622 1.00 1.73 C ATOM 1894 NH1 ARG A 121 -1.216 -3.106 5.424 1.00 2.29 N ATOM 1895 NH2 ARG A 121 -0.986 -3.510 7.670 1.00 2.04 N ATOM 0 H ARG A 121 -8.538 -4.322 5.351 1.00 0.93 H new ATOM 0 HA ARG A 121 -7.906 -1.577 6.226 1.00 1.06 H new ATOM 0 HB2 ARG A 121 -6.345 -3.334 4.283 1.00 1.31 H new ATOM 0 HB3 ARG A 121 -6.062 -1.618 4.502 1.00 1.31 H new ATOM 0 HG2 ARG A 121 -5.528 -2.047 6.915 1.00 1.14 H new ATOM 0 HG3 ARG A 121 -5.734 -3.764 6.632 1.00 1.14 H new ATOM 0 HD2 ARG A 121 -3.924 -3.713 4.934 1.00 1.39 H new ATOM 0 HD3 ARG A 121 -3.728 -1.989 5.183 1.00 1.39 H new ATOM 0 HE ARG A 121 -3.465 -3.312 7.711 1.00 1.56 H new ATOM 0 HH11 ARG A 121 -1.808 -2.918 4.615 1.00 2.29 H new ATOM 0 HH12 ARG A 121 -0.204 -3.170 5.311 1.00 2.29 H new ATOM 0 HH21 ARG A 121 -1.401 -3.633 8.594 1.00 2.04 H new ATOM 0 HH22 ARG A 121 0.025 -3.574 7.553 1.00 2.04 H new ATOM 1909 N GLY A 122 -9.834 -1.250 4.570 1.00 0.73 N ATOM 1910 CA GLY A 122 -10.689 -0.720 3.521 1.00 0.60 C ATOM 1911 C GLY A 122 -10.033 0.453 2.831 1.00 0.57 C ATOM 1912 O GLY A 122 -10.458 0.881 1.758 1.00 0.59 O ATOM 0 H GLY A 122 -10.184 -1.114 5.518 1.00 0.73 H new ATOM 0 HA2 GLY A 122 -10.904 -1.502 2.792 1.00 0.60 H new ATOM 0 HA3 GLY A 122 -11.643 -0.409 3.946 1.00 0.60 H new ATOM 1916 N PHE A 123 -8.981 0.961 3.462 1.00 0.65 N ATOM 1917 CA PHE A 123 -8.227 2.093 2.942 1.00 0.72 C ATOM 1918 C PHE A 123 -7.109 1.625 2.021 1.00 0.80 C ATOM 1919 O PHE A 123 -6.290 2.423 1.566 1.00 1.14 O ATOM 1920 CB PHE A 123 -7.653 2.907 4.101 1.00 0.84 C ATOM 1921 CG PHE A 123 -6.847 2.090 5.072 1.00 0.95 C ATOM 1922 CD1 PHE A 123 -5.511 1.817 4.825 1.00 1.47 C ATOM 1923 CD2 PHE A 123 -7.425 1.585 6.224 1.00 1.10 C ATOM 1924 CE1 PHE A 123 -4.766 1.060 5.709 1.00 2.04 C ATOM 1925 CE2 PHE A 123 -6.687 0.827 7.114 1.00 1.49 C ATOM 1926 CZ PHE A 123 -5.358 0.592 6.881 1.00 1.98 C ATOM 0 H PHE A 123 -8.628 0.599 4.348 1.00 0.65 H new ATOM 0 HA PHE A 123 -8.901 2.722 2.361 1.00 0.72 H new ATOM 0 HB2 PHE A 123 -7.025 3.702 3.699 1.00 0.84 H new ATOM 0 HB3 PHE A 123 -8.472 3.388 4.636 1.00 0.84 H new ATOM 0 HD1 PHE A 123 -5.046 2.201 3.929 1.00 1.47 H new ATOM 0 HD2 PHE A 123 -8.466 1.786 6.430 1.00 1.10 H new ATOM 0 HE1 PHE A 123 -3.732 0.833 5.493 1.00 2.04 H new ATOM 0 HE2 PHE A 123 -7.160 0.419 7.995 1.00 1.49 H new ATOM 0 HZ PHE A 123 -4.770 0.045 7.604 1.00 1.98 H new ATOM 1936 N MET A 124 -7.085 0.326 1.749 1.00 0.62 N ATOM 1937 CA MET A 124 -6.072 -0.253 0.879 1.00 0.68 C ATOM 1938 C MET A 124 -6.708 -1.063 -0.240 1.00 0.64 C ATOM 1939 O MET A 124 -6.233 -1.046 -1.377 1.00 0.68 O ATOM 1940 CB MET A 124 -5.122 -1.153 1.673 1.00 0.80 C ATOM 1941 CG MET A 124 -4.258 -0.413 2.676 1.00 1.00 C ATOM 1942 SD MET A 124 -3.217 0.840 1.907 1.00 1.91 S ATOM 1943 CE MET A 124 -2.245 1.382 3.309 1.00 2.23 C ATOM 0 H MET A 124 -7.757 -0.346 2.119 1.00 0.62 H new ATOM 0 HA MET A 124 -5.508 0.572 0.444 1.00 0.68 H new ATOM 0 HB2 MET A 124 -5.708 -1.905 2.201 1.00 0.80 H new ATOM 0 HB3 MET A 124 -4.475 -1.685 0.975 1.00 0.80 H new ATOM 0 HG2 MET A 124 -4.898 0.060 3.421 1.00 1.00 H new ATOM 0 HG3 MET A 124 -3.628 -1.129 3.204 1.00 1.00 H new ATOM 0 HE1 MET A 124 -1.425 2.011 2.962 1.00 2.23 H new ATOM 0 HE2 MET A 124 -2.876 1.952 3.991 1.00 2.23 H new ATOM 0 HE3 MET A 124 -1.841 0.514 3.829 1.00 2.23 H new ATOM 1953 N LEU A 125 -7.774 -1.786 0.085 1.00 0.61 N ATOM 1954 CA LEU A 125 -8.448 -2.609 -0.887 1.00 0.62 C ATOM 1955 C LEU A 125 -9.477 -1.806 -1.674 1.00 0.56 C ATOM 1956 O LEU A 125 -9.491 -1.876 -2.897 1.00 0.63 O ATOM 1957 CB LEU A 125 -9.055 -3.825 -0.188 1.00 0.67 C ATOM 1958 CG LEU A 125 -8.145 -4.503 0.835 1.00 0.77 C ATOM 1959 CD1 LEU A 125 -8.697 -5.865 1.223 1.00 1.24 C ATOM 1960 CD2 LEU A 125 -6.724 -4.627 0.305 1.00 1.16 C ATOM 0 H LEU A 125 -8.183 -1.812 1.019 1.00 0.61 H new ATOM 0 HA LEU A 125 -7.727 -2.969 -1.621 1.00 0.62 H new ATOM 0 HB2 LEU A 125 -9.973 -3.517 0.313 1.00 0.67 H new ATOM 0 HB3 LEU A 125 -9.335 -4.558 -0.945 1.00 0.67 H new ATOM 0 HG LEU A 125 -8.116 -3.878 1.728 1.00 0.77 H new ATOM 0 HD11 LEU A 125 -8.035 -6.332 1.952 1.00 1.24 H new ATOM 0 HD12 LEU A 125 -9.689 -5.745 1.658 1.00 1.24 H new ATOM 0 HD13 LEU A 125 -8.764 -6.496 0.337 1.00 1.24 H new ATOM 0 HD21 LEU A 125 -6.098 -5.113 1.053 1.00 1.16 H new ATOM 0 HD22 LEU A 125 -6.727 -5.222 -0.608 1.00 1.16 H new ATOM 0 HD23 LEU A 125 -6.328 -3.635 0.090 1.00 1.16 H new ATOM 1972 N TRP A 126 -10.317 -1.014 -0.994 1.00 0.48 N ATOM 1973 CA TRP A 126 -11.292 -0.193 -1.708 1.00 0.48 C ATOM 1974 C TRP A 126 -10.560 0.603 -2.785 1.00 0.47 C ATOM 1975 O TRP A 126 -10.897 0.514 -3.962 1.00 0.48 O ATOM 1976 CB TRP A 126 -12.058 0.743 -0.764 1.00 0.52 C ATOM 1977 CG TRP A 126 -12.746 1.866 -1.475 1.00 0.80 C ATOM 1978 CD1 TRP A 126 -12.724 3.178 -1.116 1.00 1.33 C ATOM 1979 CD2 TRP A 126 -13.549 1.787 -2.662 1.00 1.45 C ATOM 1980 NE1 TRP A 126 -13.462 3.923 -2.002 1.00 1.82 N ATOM 1981 CE2 TRP A 126 -13.978 3.093 -2.961 1.00 1.88 C ATOM 1982 CE3 TRP A 126 -13.946 0.743 -3.502 1.00 2.11 C ATOM 1983 CZ2 TRP A 126 -14.783 3.382 -4.058 1.00 2.60 C ATOM 1984 CZ3 TRP A 126 -14.744 1.031 -4.592 1.00 2.88 C ATOM 1985 CH2 TRP A 126 -15.154 2.342 -4.863 1.00 3.03 C ATOM 0 H TRP A 126 -10.340 -0.928 0.022 1.00 0.48 H new ATOM 0 HA TRP A 126 -12.035 -0.847 -2.165 1.00 0.48 H new ATOM 0 HB2 TRP A 126 -12.798 0.164 -0.211 1.00 0.52 H new ATOM 0 HB3 TRP A 126 -11.365 1.156 -0.032 1.00 0.52 H new ATOM 0 HD1 TRP A 126 -12.202 3.576 -0.258 1.00 1.33 H new ATOM 0 HE1 TRP A 126 -13.603 4.932 -1.954 1.00 1.82 H new ATOM 0 HE3 TRP A 126 -13.634 -0.272 -3.302 1.00 2.11 H new ATOM 0 HZ2 TRP A 126 -15.103 4.392 -4.266 1.00 2.60 H new ATOM 0 HZ3 TRP A 126 -15.057 0.231 -5.247 1.00 2.88 H new ATOM 0 HH2 TRP A 126 -15.775 2.535 -5.725 1.00 3.03 H new ATOM 1996 N PRO A 127 -9.521 1.380 -2.407 1.00 0.50 N ATOM 1997 CA PRO A 127 -8.732 2.140 -3.372 1.00 0.54 C ATOM 1998 C PRO A 127 -8.311 1.252 -4.539 1.00 0.53 C ATOM 1999 O PRO A 127 -8.487 1.605 -5.706 1.00 0.56 O ATOM 2000 CB PRO A 127 -7.490 2.575 -2.579 1.00 0.61 C ATOM 2001 CG PRO A 127 -7.572 1.880 -1.261 1.00 0.61 C ATOM 2002 CD PRO A 127 -9.019 1.567 -1.037 1.00 0.55 C ATOM 0 HA PRO A 127 -9.288 2.978 -3.793 1.00 0.54 H new ATOM 0 HB2 PRO A 127 -6.576 2.302 -3.107 1.00 0.61 H new ATOM 0 HB3 PRO A 127 -7.471 3.657 -2.448 1.00 0.61 H new ATOM 0 HG2 PRO A 127 -6.974 0.969 -1.265 1.00 0.61 H new ATOM 0 HG3 PRO A 127 -7.184 2.513 -0.463 1.00 0.61 H new ATOM 0 HD2 PRO A 127 -9.151 0.671 -0.431 1.00 0.55 H new ATOM 0 HD3 PRO A 127 -9.535 2.378 -0.523 1.00 0.55 H new ATOM 2010 N LEU A 128 -7.764 0.084 -4.202 1.00 0.53 N ATOM 2011 CA LEU A 128 -7.322 -0.887 -5.197 1.00 0.56 C ATOM 2012 C LEU A 128 -8.521 -1.460 -5.947 1.00 0.54 C ATOM 2013 O LEU A 128 -8.389 -1.978 -7.054 1.00 0.61 O ATOM 2014 CB LEU A 128 -6.540 -2.012 -4.509 1.00 0.63 C ATOM 2015 CG LEU A 128 -5.958 -3.080 -5.439 1.00 0.79 C ATOM 2016 CD1 LEU A 128 -4.979 -2.464 -6.426 1.00 1.42 C ATOM 2017 CD2 LEU A 128 -5.271 -4.168 -4.629 1.00 1.55 C ATOM 0 H LEU A 128 -7.616 -0.212 -3.237 1.00 0.53 H new ATOM 0 HA LEU A 128 -6.672 -0.388 -5.916 1.00 0.56 H new ATOM 0 HB2 LEU A 128 -5.723 -1.567 -3.941 1.00 0.63 H new ATOM 0 HB3 LEU A 128 -7.198 -2.501 -3.791 1.00 0.63 H new ATOM 0 HG LEU A 128 -6.779 -3.524 -6.002 1.00 0.79 H new ATOM 0 HD11 LEU A 128 -4.579 -3.242 -7.076 1.00 1.42 H new ATOM 0 HD12 LEU A 128 -5.493 -1.716 -7.030 1.00 1.42 H new ATOM 0 HD13 LEU A 128 -4.162 -1.991 -5.881 1.00 1.42 H new ATOM 0 HD21 LEU A 128 -4.862 -4.920 -5.303 1.00 1.55 H new ATOM 0 HD22 LEU A 128 -4.464 -3.730 -4.042 1.00 1.55 H new ATOM 0 HD23 LEU A 128 -5.994 -4.635 -3.960 1.00 1.55 H new ATOM 2029 N PHE A 129 -9.691 -1.347 -5.326 1.00 0.50 N ATOM 2030 CA PHE A 129 -10.933 -1.832 -5.913 1.00 0.51 C ATOM 2031 C PHE A 129 -11.362 -0.892 -7.032 1.00 0.53 C ATOM 2032 O PHE A 129 -11.954 -1.313 -8.023 1.00 0.70 O ATOM 2033 CB PHE A 129 -12.024 -1.913 -4.836 1.00 0.49 C ATOM 2034 CG PHE A 129 -13.267 -2.643 -5.259 1.00 0.54 C ATOM 2035 CD1 PHE A 129 -14.202 -2.033 -6.082 1.00 0.62 C ATOM 2036 CD2 PHE A 129 -13.512 -3.935 -4.817 1.00 0.60 C ATOM 2037 CE1 PHE A 129 -15.351 -2.697 -6.463 1.00 0.73 C ATOM 2038 CE2 PHE A 129 -14.662 -4.604 -5.197 1.00 0.71 C ATOM 2039 CZ PHE A 129 -15.581 -3.984 -6.022 1.00 0.75 C ATOM 0 H PHE A 129 -9.804 -0.919 -4.407 1.00 0.50 H new ATOM 0 HA PHE A 129 -10.778 -2.829 -6.324 1.00 0.51 H new ATOM 0 HB2 PHE A 129 -11.611 -2.405 -3.955 1.00 0.49 H new ATOM 0 HB3 PHE A 129 -12.297 -0.901 -4.537 1.00 0.49 H new ATOM 0 HD1 PHE A 129 -14.029 -1.025 -6.429 1.00 0.62 H new ATOM 0 HD2 PHE A 129 -12.798 -4.423 -4.170 1.00 0.60 H new ATOM 0 HE1 PHE A 129 -16.069 -2.209 -7.106 1.00 0.73 H new ATOM 0 HE2 PHE A 129 -14.841 -5.611 -4.849 1.00 0.71 H new ATOM 0 HZ PHE A 129 -16.478 -4.506 -6.321 1.00 0.75 H new ATOM 2049 N GLU A 130 -11.037 0.388 -6.872 1.00 0.43 N ATOM 2050 CA GLU A 130 -11.368 1.390 -7.874 1.00 0.49 C ATOM 2051 C GLU A 130 -10.464 1.223 -9.091 1.00 0.53 C ATOM 2052 O GLU A 130 -10.904 1.370 -10.231 1.00 0.68 O ATOM 2053 CB GLU A 130 -11.217 2.799 -7.293 1.00 0.54 C ATOM 2054 CG GLU A 130 -11.576 3.910 -8.271 1.00 0.99 C ATOM 2055 CD GLU A 130 -13.037 3.891 -8.683 1.00 1.63 C ATOM 2056 OE1 GLU A 130 -13.787 3.035 -8.166 1.00 2.40 O ATOM 2057 OE2 GLU A 130 -13.433 4.725 -9.525 1.00 2.04 O ATOM 0 H GLU A 130 -10.545 0.753 -6.057 1.00 0.43 H new ATOM 0 HA GLU A 130 -12.405 1.252 -8.179 1.00 0.49 H new ATOM 0 HB2 GLU A 130 -11.850 2.887 -6.410 1.00 0.54 H new ATOM 0 HB3 GLU A 130 -10.187 2.937 -6.963 1.00 0.54 H new ATOM 0 HG2 GLU A 130 -11.345 4.874 -7.817 1.00 0.99 H new ATOM 0 HG3 GLU A 130 -10.953 3.819 -9.160 1.00 0.99 H new ATOM 2064 N ILE A 131 -9.199 0.900 -8.832 1.00 0.48 N ATOM 2065 CA ILE A 131 -8.228 0.694 -9.897 1.00 0.56 C ATOM 2066 C ILE A 131 -8.245 -0.762 -10.355 1.00 0.52 C ATOM 2067 O ILE A 131 -7.596 -1.127 -11.335 1.00 0.64 O ATOM 2068 CB ILE A 131 -6.804 1.073 -9.441 1.00 0.77 C ATOM 2069 CG1 ILE A 131 -6.278 0.090 -8.387 1.00 0.77 C ATOM 2070 CG2 ILE A 131 -6.792 2.495 -8.898 1.00 1.55 C ATOM 2071 CD1 ILE A 131 -4.839 0.352 -7.998 1.00 1.41 C ATOM 0 H ILE A 131 -8.825 0.776 -7.891 1.00 0.48 H new ATOM 0 HA ILE A 131 -8.508 1.342 -10.728 1.00 0.56 H new ATOM 0 HB ILE A 131 -6.142 1.018 -10.306 1.00 0.77 H new ATOM 0 HG12 ILE A 131 -6.905 0.150 -7.498 1.00 0.77 H new ATOM 0 HG13 ILE A 131 -6.365 -0.926 -8.771 1.00 0.77 H new ATOM 0 HG21 ILE A 131 -5.783 2.754 -8.578 1.00 1.55 H new ATOM 0 HG22 ILE A 131 -7.114 3.185 -9.678 1.00 1.55 H new ATOM 0 HG23 ILE A 131 -7.471 2.566 -8.048 1.00 1.55 H new ATOM 0 HD11 ILE A 131 -4.526 -0.376 -7.250 1.00 1.41 H new ATOM 0 HD12 ILE A 131 -4.202 0.264 -8.878 1.00 1.41 H new ATOM 0 HD13 ILE A 131 -4.751 1.357 -7.585 1.00 1.41 H new ATOM 2083 N ALA A 132 -9.003 -1.585 -9.630 1.00 0.53 N ATOM 2084 CA ALA A 132 -9.125 -3.006 -9.941 1.00 0.58 C ATOM 2085 C ALA A 132 -10.233 -3.657 -9.109 1.00 0.56 C ATOM 2086 O ALA A 132 -9.964 -4.285 -8.085 1.00 0.63 O ATOM 2087 CB ALA A 132 -7.800 -3.715 -9.703 1.00 0.73 C ATOM 0 H ALA A 132 -9.544 -1.287 -8.818 1.00 0.53 H new ATOM 0 HA ALA A 132 -9.391 -3.101 -10.994 1.00 0.58 H new ATOM 0 HB1 ALA A 132 -7.906 -4.774 -9.939 1.00 0.73 H new ATOM 0 HB2 ALA A 132 -7.033 -3.276 -10.341 1.00 0.73 H new ATOM 0 HB3 ALA A 132 -7.510 -3.604 -8.658 1.00 0.73 H new ATOM 2093 N PRO A 133 -11.500 -3.506 -9.539 1.00 0.63 N ATOM 2094 CA PRO A 133 -12.654 -4.071 -8.831 1.00 0.66 C ATOM 2095 C PRO A 133 -12.894 -5.539 -9.176 1.00 0.88 C ATOM 2096 O PRO A 133 -13.922 -6.110 -8.808 1.00 1.24 O ATOM 2097 CB PRO A 133 -13.810 -3.216 -9.341 1.00 0.79 C ATOM 2098 CG PRO A 133 -13.415 -2.822 -10.724 1.00 0.82 C ATOM 2099 CD PRO A 133 -11.908 -2.764 -10.748 1.00 0.81 C ATOM 0 HA PRO A 133 -12.521 -4.055 -7.749 1.00 0.66 H new ATOM 0 HB2 PRO A 133 -14.745 -3.776 -9.342 1.00 0.79 H new ATOM 0 HB3 PRO A 133 -13.963 -2.341 -8.709 1.00 0.79 H new ATOM 0 HG2 PRO A 133 -13.786 -3.544 -11.452 1.00 0.82 H new ATOM 0 HG3 PRO A 133 -13.843 -1.855 -10.987 1.00 0.82 H new ATOM 0 HD2 PRO A 133 -11.506 -3.222 -11.652 1.00 0.81 H new ATOM 0 HD3 PRO A 133 -11.548 -1.735 -10.725 1.00 0.81 H new ATOM 2107 N GLU A 134 -11.946 -6.144 -9.883 1.00 0.90 N ATOM 2108 CA GLU A 134 -12.062 -7.545 -10.278 1.00 1.12 C ATOM 2109 C GLU A 134 -10.793 -8.315 -9.933 1.00 1.08 C ATOM 2110 O GLU A 134 -10.453 -9.305 -10.583 1.00 1.25 O ATOM 2111 CB GLU A 134 -12.354 -7.654 -11.775 1.00 1.34 C ATOM 2112 CG GLU A 134 -11.286 -7.018 -12.651 1.00 1.87 C ATOM 2113 CD GLU A 134 -11.582 -7.167 -14.132 1.00 2.20 C ATOM 2114 OE1 GLU A 134 -12.620 -7.771 -14.471 1.00 2.61 O ATOM 2115 OE2 GLU A 134 -10.774 -6.681 -14.952 1.00 2.50 O ATOM 0 H GLU A 134 -11.089 -5.688 -10.195 1.00 0.90 H new ATOM 0 HA GLU A 134 -12.891 -7.985 -9.724 1.00 1.12 H new ATOM 0 HB2 GLU A 134 -12.452 -8.706 -12.042 1.00 1.34 H new ATOM 0 HB3 GLU A 134 -13.313 -7.181 -11.985 1.00 1.34 H new ATOM 0 HG2 GLU A 134 -11.203 -5.959 -12.405 1.00 1.87 H new ATOM 0 HG3 GLU A 134 -10.321 -7.473 -12.429 1.00 1.87 H new ATOM 2122 N LEU A 135 -10.102 -7.851 -8.899 1.00 0.99 N ATOM 2123 CA LEU A 135 -8.870 -8.482 -8.441 1.00 1.03 C ATOM 2124 C LEU A 135 -9.107 -9.935 -8.052 1.00 1.50 C ATOM 2125 O LEU A 135 -8.195 -10.755 -8.129 1.00 2.32 O ATOM 2126 CB LEU A 135 -8.303 -7.690 -7.256 1.00 1.00 C ATOM 2127 CG LEU A 135 -7.212 -8.382 -6.432 1.00 1.43 C ATOM 2128 CD1 LEU A 135 -6.370 -7.353 -5.696 1.00 2.07 C ATOM 2129 CD2 LEU A 135 -7.827 -9.350 -5.430 1.00 2.26 C ATOM 0 H LEU A 135 -10.377 -7.032 -8.357 1.00 0.99 H new ATOM 0 HA LEU A 135 -8.148 -8.476 -9.258 1.00 1.03 H new ATOM 0 HB2 LEU A 135 -7.901 -6.750 -7.635 1.00 1.00 H new ATOM 0 HB3 LEU A 135 -9.127 -7.438 -6.588 1.00 1.00 H new ATOM 0 HG LEU A 135 -6.575 -8.941 -7.117 1.00 1.43 H new ATOM 0 HD11 LEU A 135 -5.600 -7.861 -5.116 1.00 2.07 H new ATOM 0 HD12 LEU A 135 -5.899 -6.685 -6.417 1.00 2.07 H new ATOM 0 HD13 LEU A 135 -7.006 -6.774 -5.027 1.00 2.07 H new ATOM 0 HD21 LEU A 135 -7.035 -9.831 -4.855 1.00 2.26 H new ATOM 0 HD22 LEU A 135 -8.486 -8.804 -4.754 1.00 2.26 H new ATOM 0 HD23 LEU A 135 -8.401 -10.109 -5.962 1.00 2.26 H new ATOM 2141 N VAL A 136 -10.334 -10.231 -7.620 1.00 1.65 N ATOM 2142 CA VAL A 136 -10.715 -11.576 -7.189 1.00 2.11 C ATOM 2143 C VAL A 136 -9.623 -12.204 -6.322 1.00 1.98 C ATOM 2144 O VAL A 136 -8.637 -12.748 -6.818 1.00 2.82 O ATOM 2145 CB VAL A 136 -11.075 -12.501 -8.379 1.00 2.85 C ATOM 2146 CG1 VAL A 136 -9.884 -12.753 -9.292 1.00 3.55 C ATOM 2147 CG2 VAL A 136 -11.657 -13.808 -7.866 1.00 3.66 C ATOM 0 H VAL A 136 -11.089 -9.548 -7.559 1.00 1.65 H new ATOM 0 HA VAL A 136 -11.617 -11.469 -6.587 1.00 2.11 H new ATOM 0 HB VAL A 136 -11.827 -11.991 -8.981 1.00 2.85 H new ATOM 0 HG11 VAL A 136 -10.185 -13.406 -10.111 1.00 3.55 H new ATOM 0 HG12 VAL A 136 -9.528 -11.805 -9.696 1.00 3.55 H new ATOM 0 HG13 VAL A 136 -9.084 -13.228 -8.724 1.00 3.55 H new ATOM 0 HG21 VAL A 136 -11.907 -14.451 -8.710 1.00 3.66 H new ATOM 0 HG22 VAL A 136 -10.925 -14.309 -7.233 1.00 3.66 H new ATOM 0 HG23 VAL A 136 -12.558 -13.603 -7.287 1.00 3.66 H new ATOM 2157 N PHE A 137 -9.817 -12.090 -5.010 1.00 1.34 N ATOM 2158 CA PHE A 137 -8.874 -12.605 -4.012 1.00 1.66 C ATOM 2159 C PHE A 137 -8.202 -13.899 -4.459 1.00 1.18 C ATOM 2160 O PHE A 137 -8.769 -14.686 -5.219 1.00 1.57 O ATOM 2161 CB PHE A 137 -9.597 -12.876 -2.692 1.00 2.23 C ATOM 2162 CG PHE A 137 -8.882 -12.399 -1.460 1.00 3.15 C ATOM 2163 CD1 PHE A 137 -8.456 -11.084 -1.359 1.00 3.88 C ATOM 2164 CD2 PHE A 137 -8.627 -13.263 -0.409 1.00 3.49 C ATOM 2165 CE1 PHE A 137 -7.792 -10.640 -0.234 1.00 4.85 C ATOM 2166 CE2 PHE A 137 -7.963 -12.825 0.718 1.00 4.44 C ATOM 2167 CZ PHE A 137 -7.578 -11.526 0.831 1.00 5.09 C ATOM 0 H PHE A 137 -10.636 -11.636 -4.604 1.00 1.34 H new ATOM 0 HA PHE A 137 -8.108 -11.840 -3.887 1.00 1.66 H new ATOM 0 HB2 PHE A 137 -10.578 -12.402 -2.730 1.00 2.23 H new ATOM 0 HB3 PHE A 137 -9.765 -13.949 -2.602 1.00 2.23 H new ATOM 0 HD1 PHE A 137 -8.646 -10.398 -2.171 1.00 3.88 H new ATOM 0 HD2 PHE A 137 -8.951 -14.291 -0.472 1.00 3.49 H new ATOM 0 HE1 PHE A 137 -7.441 -9.620 -0.175 1.00 4.85 H new ATOM 0 HE2 PHE A 137 -7.747 -13.519 1.517 1.00 4.44 H new ATOM 0 HZ PHE A 137 -7.108 -11.178 1.739 1.00 5.09 H new ATOM 2177 N PRO A 138 -6.993 -14.146 -3.939 1.00 0.88 N ATOM 2178 CA PRO A 138 -6.222 -15.362 -4.220 1.00 0.92 C ATOM 2179 C PRO A 138 -7.086 -16.589 -3.977 1.00 1.20 C ATOM 2180 O PRO A 138 -6.876 -17.652 -4.561 1.00 1.94 O ATOM 2181 CB PRO A 138 -5.073 -15.268 -3.206 1.00 1.24 C ATOM 2182 CG PRO A 138 -4.906 -13.810 -3.012 1.00 1.68 C ATOM 2183 CD PRO A 138 -6.300 -13.269 -2.991 1.00 1.44 C ATOM 0 HA PRO A 138 -5.871 -15.446 -5.248 1.00 0.92 H new ATOM 0 HB2 PRO A 138 -5.319 -15.772 -2.272 1.00 1.24 H new ATOM 0 HB3 PRO A 138 -4.162 -15.730 -3.587 1.00 1.24 H new ATOM 0 HG2 PRO A 138 -4.382 -13.592 -2.081 1.00 1.68 H new ATOM 0 HG3 PRO A 138 -4.321 -13.367 -3.818 1.00 1.68 H new ATOM 0 HD2 PRO A 138 -6.740 -13.319 -1.995 1.00 1.44 H new ATOM 0 HD3 PRO A 138 -6.335 -12.225 -3.303 1.00 1.44 H new ATOM 2191 N ASP A 139 -8.082 -16.400 -3.119 1.00 1.07 N ATOM 2192 CA ASP A 139 -9.039 -17.443 -2.779 1.00 1.62 C ATOM 2193 C ASP A 139 -10.373 -17.193 -3.487 1.00 1.65 C ATOM 2194 O ASP A 139 -11.036 -18.131 -3.929 1.00 2.28 O ATOM 2195 CB ASP A 139 -9.259 -17.490 -1.266 1.00 2.26 C ATOM 2196 CG ASP A 139 -8.012 -17.901 -0.509 1.00 2.93 C ATOM 2197 OD1 ASP A 139 -7.516 -19.023 -0.747 1.00 3.67 O ATOM 2198 OD2 ASP A 139 -7.531 -17.103 0.323 1.00 3.20 O ATOM 0 H ASP A 139 -8.248 -15.516 -2.639 1.00 1.07 H new ATOM 0 HA ASP A 139 -8.636 -18.400 -3.109 1.00 1.62 H new ATOM 0 HB2 ASP A 139 -9.584 -16.509 -0.919 1.00 2.26 H new ATOM 0 HB3 ASP A 139 -10.064 -18.190 -1.041 1.00 2.26 H new ATOM 2203 N GLY A 140 -10.753 -15.918 -3.594 1.00 1.25 N ATOM 2204 CA GLY A 140 -12.001 -15.560 -4.254 1.00 1.72 C ATOM 2205 C GLY A 140 -12.761 -14.447 -3.544 1.00 1.31 C ATOM 2206 O GLY A 140 -13.839 -14.681 -3.000 1.00 1.85 O ATOM 0 H GLY A 140 -10.218 -15.127 -3.235 1.00 1.25 H new ATOM 0 HA2 GLY A 140 -11.787 -15.249 -5.277 1.00 1.72 H new ATOM 0 HA3 GLY A 140 -12.637 -16.443 -4.316 1.00 1.72 H new ATOM 2210 N GLU A 141 -12.197 -13.236 -3.561 1.00 0.75 N ATOM 2211 CA GLU A 141 -12.816 -12.067 -2.919 1.00 0.94 C ATOM 2212 C GLU A 141 -12.213 -10.754 -3.412 1.00 0.82 C ATOM 2213 O GLU A 141 -11.014 -10.522 -3.270 1.00 1.19 O ATOM 2214 CB GLU A 141 -12.661 -12.113 -1.394 1.00 1.56 C ATOM 2215 CG GLU A 141 -13.613 -13.060 -0.689 1.00 1.38 C ATOM 2216 CD GLU A 141 -15.069 -12.705 -0.919 1.00 2.16 C ATOM 2217 OE1 GLU A 141 -15.474 -11.584 -0.542 1.00 2.97 O ATOM 2218 OE2 GLU A 141 -15.805 -13.545 -1.473 1.00 2.47 O ATOM 0 H GLU A 141 -11.306 -13.036 -4.015 1.00 0.75 H new ATOM 0 HA GLU A 141 -13.871 -12.107 -3.189 1.00 0.94 H new ATOM 0 HB2 GLU A 141 -11.638 -12.403 -1.155 1.00 1.56 H new ATOM 0 HB3 GLU A 141 -12.809 -11.109 -0.997 1.00 1.56 H new ATOM 0 HG2 GLU A 141 -13.432 -14.077 -1.037 1.00 1.38 H new ATOM 0 HG3 GLU A 141 -13.405 -13.048 0.381 1.00 1.38 H new ATOM 2225 N MET A 142 -13.047 -9.861 -3.937 1.00 0.57 N ATOM 2226 CA MET A 142 -12.555 -8.575 -4.378 1.00 0.54 C ATOM 2227 C MET A 142 -12.103 -7.782 -3.163 1.00 0.58 C ATOM 2228 O MET A 142 -12.521 -8.063 -2.038 1.00 0.92 O ATOM 2229 CB MET A 142 -13.614 -7.814 -5.176 1.00 0.57 C ATOM 2230 CG MET A 142 -13.806 -8.343 -6.586 1.00 0.67 C ATOM 2231 SD MET A 142 -14.380 -10.052 -6.623 1.00 1.32 S ATOM 2232 CE MET A 142 -14.460 -10.342 -8.389 1.00 1.58 C ATOM 0 H MET A 142 -14.049 -10.007 -4.063 1.00 0.57 H new ATOM 0 HA MET A 142 -11.709 -8.725 -5.048 1.00 0.54 H new ATOM 0 HB2 MET A 142 -14.564 -7.865 -4.645 1.00 0.57 H new ATOM 0 HB3 MET A 142 -13.333 -6.762 -5.226 1.00 0.57 H new ATOM 0 HG2 MET A 142 -14.524 -7.713 -7.110 1.00 0.67 H new ATOM 0 HG3 MET A 142 -12.863 -8.270 -7.127 1.00 0.67 H new ATOM 0 HE1 MET A 142 -14.800 -11.361 -8.575 1.00 1.58 H new ATOM 0 HE2 MET A 142 -15.158 -9.638 -8.842 1.00 1.58 H new ATOM 0 HE3 MET A 142 -13.471 -10.205 -8.825 1.00 1.58 H new ATOM 2242 N LEU A 143 -11.228 -6.827 -3.391 1.00 0.55 N ATOM 2243 CA LEU A 143 -10.677 -6.003 -2.323 1.00 0.62 C ATOM 2244 C LEU A 143 -11.727 -5.603 -1.287 1.00 0.56 C ATOM 2245 O LEU A 143 -11.765 -6.089 -0.149 1.00 0.60 O ATOM 2246 CB LEU A 143 -10.147 -4.709 -2.940 1.00 0.76 C ATOM 2247 CG LEU A 143 -8.887 -4.807 -3.786 1.00 0.81 C ATOM 2248 CD1 LEU A 143 -7.806 -5.592 -3.058 1.00 1.54 C ATOM 2249 CD2 LEU A 143 -9.195 -5.422 -5.140 1.00 1.70 C ATOM 0 H LEU A 143 -10.875 -6.595 -4.319 1.00 0.55 H new ATOM 0 HA LEU A 143 -9.902 -6.589 -1.828 1.00 0.62 H new ATOM 0 HB2 LEU A 143 -10.936 -4.282 -3.558 1.00 0.76 H new ATOM 0 HB3 LEU A 143 -9.957 -4.003 -2.132 1.00 0.76 H new ATOM 0 HG LEU A 143 -8.509 -3.799 -3.955 1.00 0.81 H new ATOM 0 HD11 LEU A 143 -6.915 -5.649 -3.683 1.00 1.54 H new ATOM 0 HD12 LEU A 143 -7.561 -5.091 -2.121 1.00 1.54 H new ATOM 0 HD13 LEU A 143 -8.167 -6.599 -2.848 1.00 1.54 H new ATOM 0 HD21 LEU A 143 -8.280 -5.483 -5.729 1.00 1.70 H new ATOM 0 HD22 LEU A 143 -9.604 -6.423 -5.001 1.00 1.70 H new ATOM 0 HD23 LEU A 143 -9.923 -4.803 -5.664 1.00 1.70 H new ATOM 2261 N ARG A 144 -12.540 -4.672 -1.715 1.00 0.53 N ATOM 2262 CA ARG A 144 -13.587 -4.087 -0.919 1.00 0.52 C ATOM 2263 C ARG A 144 -14.607 -5.096 -0.380 1.00 0.61 C ATOM 2264 O ARG A 144 -15.282 -4.801 0.594 1.00 0.69 O ATOM 2265 CB ARG A 144 -14.254 -2.989 -1.736 1.00 0.53 C ATOM 2266 CG ARG A 144 -15.432 -2.343 -1.030 1.00 0.58 C ATOM 2267 CD ARG A 144 -16.171 -1.363 -1.925 1.00 0.85 C ATOM 2268 NE ARG A 144 -16.781 -2.013 -3.081 1.00 1.18 N ATOM 2269 CZ ARG A 144 -17.529 -1.373 -3.977 1.00 1.39 C ATOM 2270 NH1 ARG A 144 -17.756 -0.073 -3.844 1.00 1.59 N ATOM 2271 NH2 ARG A 144 -18.051 -2.030 -5.003 1.00 2.16 N ATOM 0 H ARG A 144 -12.489 -4.288 -2.659 1.00 0.53 H new ATOM 0 HA ARG A 144 -13.130 -3.669 -0.022 1.00 0.52 H new ATOM 0 HB2 ARG A 144 -13.516 -2.222 -1.971 1.00 0.53 H new ATOM 0 HB3 ARG A 144 -14.593 -3.407 -2.684 1.00 0.53 H new ATOM 0 HG2 ARG A 144 -16.122 -3.118 -0.695 1.00 0.58 H new ATOM 0 HG3 ARG A 144 -15.079 -1.824 -0.139 1.00 0.58 H new ATOM 0 HD2 ARG A 144 -16.944 -0.859 -1.346 1.00 0.85 H new ATOM 0 HD3 ARG A 144 -15.478 -0.595 -2.268 1.00 0.85 H new ATOM 0 HE ARG A 144 -16.625 -3.013 -3.209 1.00 1.18 H new ATOM 0 HH11 ARG A 144 -17.357 0.436 -3.055 1.00 1.59 H new ATOM 0 HH12 ARG A 144 -18.329 0.417 -4.531 1.00 1.59 H new ATOM 0 HH21 ARG A 144 -17.880 -3.030 -5.108 1.00 2.16 H new ATOM 0 HH22 ARG A 144 -18.624 -1.536 -5.687 1.00 2.16 H new ATOM 2285 N GLN A 145 -14.733 -6.274 -0.979 1.00 0.76 N ATOM 2286 CA GLN A 145 -15.695 -7.255 -0.459 1.00 0.92 C ATOM 2287 C GLN A 145 -15.403 -7.513 0.999 1.00 0.89 C ATOM 2288 O GLN A 145 -16.245 -7.296 1.871 1.00 0.97 O ATOM 2289 CB GLN A 145 -15.610 -8.579 -1.199 1.00 1.21 C ATOM 2290 CG GLN A 145 -15.442 -8.404 -2.675 1.00 0.96 C ATOM 2291 CD GLN A 145 -16.631 -7.741 -3.316 1.00 1.54 C ATOM 2292 OE1 GLN A 145 -16.467 -6.473 -3.643 1.00 2.27 O flip ATOM 2293 NE2 GLN A 145 -17.689 -8.347 -3.488 1.00 1.87 N flip ATOM 0 H GLN A 145 -14.204 -6.573 -1.798 1.00 0.76 H new ATOM 0 HA GLN A 145 -16.694 -6.841 -0.597 1.00 0.92 H new ATOM 0 HB2 GLN A 145 -14.772 -9.156 -0.808 1.00 1.21 H new ATOM 0 HB3 GLN A 145 -16.514 -9.157 -1.006 1.00 1.21 H new ATOM 0 HG2 GLN A 145 -14.550 -7.808 -2.868 1.00 0.96 H new ATOM 0 HG3 GLN A 145 -15.280 -9.378 -3.137 1.00 0.96 H new ATOM 0 HE21 GLN A 145 -17.765 -9.328 -3.218 1.00 1.87 H new ATOM 0 HE22 GLN A 145 -18.490 -7.868 -3.901 1.00 1.87 H new ATOM 2302 N ILE A 146 -14.189 -7.976 1.249 1.00 0.85 N ATOM 2303 CA ILE A 146 -13.754 -8.271 2.593 1.00 0.90 C ATOM 2304 C ILE A 146 -13.827 -7.023 3.455 1.00 0.85 C ATOM 2305 O ILE A 146 -14.049 -7.110 4.656 1.00 1.01 O ATOM 2306 CB ILE A 146 -12.321 -8.824 2.615 1.00 0.95 C ATOM 2307 CG1 ILE A 146 -12.151 -9.900 1.539 1.00 1.06 C ATOM 2308 CG2 ILE A 146 -12.006 -9.387 3.991 1.00 1.24 C ATOM 2309 CD1 ILE A 146 -10.778 -10.538 1.523 1.00 1.06 C ATOM 0 H ILE A 146 -13.488 -8.155 0.530 1.00 0.85 H new ATOM 0 HA ILE A 146 -14.422 -9.034 2.993 1.00 0.90 H new ATOM 0 HB ILE A 146 -11.623 -8.014 2.401 1.00 0.95 H new ATOM 0 HG12 ILE A 146 -12.900 -10.676 1.694 1.00 1.06 H new ATOM 0 HG13 ILE A 146 -12.347 -9.458 0.562 1.00 1.06 H new ATOM 0 HG21 ILE A 146 -10.988 -9.778 4.000 1.00 1.24 H new ATOM 0 HG22 ILE A 146 -12.098 -8.598 4.737 1.00 1.24 H new ATOM 0 HG23 ILE A 146 -12.705 -10.190 4.224 1.00 1.24 H new ATOM 0 HD11 ILE A 146 -10.735 -11.289 0.735 1.00 1.06 H new ATOM 0 HD12 ILE A 146 -10.024 -9.773 1.337 1.00 1.06 H new ATOM 0 HD13 ILE A 146 -10.585 -11.011 2.486 1.00 1.06 H new ATOM 2321 N LEU A 147 -13.646 -5.854 2.843 1.00 0.72 N ATOM 2322 CA LEU A 147 -13.708 -4.600 3.597 1.00 0.75 C ATOM 2323 C LEU A 147 -15.135 -4.250 3.969 1.00 0.71 C ATOM 2324 O LEU A 147 -15.489 -4.133 5.136 1.00 0.81 O ATOM 2325 CB LEU A 147 -13.180 -3.446 2.770 1.00 0.92 C ATOM 2326 CG LEU A 147 -11.906 -3.712 2.004 1.00 0.82 C ATOM 2327 CD1 LEU A 147 -11.632 -2.530 1.103 1.00 1.36 C ATOM 2328 CD2 LEU A 147 -10.753 -3.959 2.959 1.00 1.66 C ATOM 0 H LEU A 147 -13.459 -5.747 1.846 1.00 0.72 H new ATOM 0 HA LEU A 147 -13.104 -4.750 4.492 1.00 0.75 H new ATOM 0 HB2 LEU A 147 -13.952 -3.149 2.060 1.00 0.92 H new ATOM 0 HB3 LEU A 147 -13.012 -2.597 3.432 1.00 0.92 H new ATOM 0 HG LEU A 147 -12.016 -4.609 1.395 1.00 0.82 H new ATOM 0 HD11 LEU A 147 -10.714 -2.705 0.542 1.00 1.36 H new ATOM 0 HD12 LEU A 147 -12.463 -2.401 0.409 1.00 1.36 H new ATOM 0 HD13 LEU A 147 -11.521 -1.630 1.707 1.00 1.36 H new ATOM 0 HD21 LEU A 147 -9.843 -4.149 2.390 1.00 1.66 H new ATOM 0 HD22 LEU A 147 -10.609 -3.082 3.591 1.00 1.66 H new ATOM 0 HD23 LEU A 147 -10.977 -4.824 3.584 1.00 1.66 H new ATOM 2340 N HIS A 148 -15.936 -4.050 2.943 1.00 0.71 N ATOM 2341 CA HIS A 148 -17.326 -3.675 3.095 1.00 0.76 C ATOM 2342 C HIS A 148 -18.035 -4.552 4.111 1.00 0.83 C ATOM 2343 O HIS A 148 -19.095 -4.197 4.625 1.00 0.92 O ATOM 2344 CB HIS A 148 -18.027 -3.773 1.746 1.00 0.79 C ATOM 2345 CG HIS A 148 -19.294 -2.980 1.686 1.00 0.93 C ATOM 2346 ND1 HIS A 148 -19.887 -2.195 2.618 1.00 1.04 N flip ATOM 2347 CD2 HIS A 148 -20.108 -2.932 0.574 1.00 1.02 C flip ATOM 2348 CE1 HIS A 148 -21.034 -1.695 2.057 1.00 1.20 C flip ATOM 2349 NE2 HIS A 148 -21.145 -2.152 0.823 1.00 1.19 N flip ATOM 0 H HIS A 148 -15.638 -4.144 1.972 1.00 0.71 H new ATOM 0 HA HIS A 148 -17.363 -2.649 3.461 1.00 0.76 H new ATOM 0 HB2 HIS A 148 -17.350 -3.426 0.965 1.00 0.79 H new ATOM 0 HB3 HIS A 148 -18.249 -4.819 1.533 1.00 0.79 H new ATOM 0 HD2 HIS A 148 -19.926 -3.451 -0.356 1.00 1.02 H new ATOM 0 HE1 HIS A 148 -21.734 -1.034 2.546 1.00 1.20 H new ATOM 0 HE2 HIS A 148 -21.902 -1.939 0.173 1.00 1.19 H new ATOM 2358 N THR A 149 -17.459 -5.712 4.377 1.00 0.86 N ATOM 2359 CA THR A 149 -18.059 -6.646 5.306 1.00 0.97 C ATOM 2360 C THR A 149 -17.207 -6.863 6.561 1.00 1.00 C ATOM 2361 O THR A 149 -17.738 -7.249 7.603 1.00 1.13 O ATOM 2362 CB THR A 149 -18.282 -7.978 4.589 1.00 1.02 C ATOM 2363 OG1 THR A 149 -17.053 -8.660 4.410 1.00 1.35 O ATOM 2364 CG2 THR A 149 -18.914 -7.818 3.216 1.00 1.48 C ATOM 0 H THR A 149 -16.581 -6.026 3.964 1.00 0.86 H new ATOM 0 HA THR A 149 -19.006 -6.224 5.641 1.00 0.97 H new ATOM 0 HB THR A 149 -18.962 -8.542 5.227 1.00 1.02 H new ATOM 0 HG1 THR A 149 -16.625 -8.351 3.584 1.00 1.35 H new ATOM 0 HG21 THR A 149 -19.046 -8.799 2.760 1.00 1.48 H new ATOM 0 HG22 THR A 149 -19.884 -7.331 3.316 1.00 1.48 H new ATOM 0 HG23 THR A 149 -18.266 -7.209 2.586 1.00 1.48 H new ATOM 2372 N ARG A 150 -15.888 -6.660 6.468 1.00 0.91 N ATOM 2373 CA ARG A 150 -15.020 -6.897 7.630 1.00 0.97 C ATOM 2374 C ARG A 150 -14.285 -5.660 8.161 1.00 0.97 C ATOM 2375 O ARG A 150 -13.662 -5.740 9.220 1.00 1.16 O ATOM 2376 CB ARG A 150 -14.006 -7.995 7.310 1.00 1.01 C ATOM 2377 CG ARG A 150 -14.648 -9.346 7.041 1.00 1.12 C ATOM 2378 CD ARG A 150 -15.422 -9.841 8.252 1.00 1.43 C ATOM 2379 NE ARG A 150 -16.150 -11.081 7.983 1.00 1.84 N ATOM 2380 CZ ARG A 150 -15.570 -12.228 7.635 1.00 2.15 C ATOM 2381 NH1 ARG A 150 -14.251 -12.305 7.517 1.00 2.45 N ATOM 2382 NH2 ARG A 150 -16.315 -13.300 7.406 1.00 2.86 N ATOM 0 H ARG A 150 -15.407 -6.341 5.627 1.00 0.91 H new ATOM 0 HA ARG A 150 -15.695 -7.202 8.430 1.00 0.97 H new ATOM 0 HB2 ARG A 150 -13.422 -7.698 6.439 1.00 1.01 H new ATOM 0 HB3 ARG A 150 -13.310 -8.091 8.143 1.00 1.01 H new ATOM 0 HG2 ARG A 150 -15.319 -9.268 6.185 1.00 1.12 H new ATOM 0 HG3 ARG A 150 -13.878 -10.071 6.778 1.00 1.12 H new ATOM 0 HD2 ARG A 150 -14.731 -10.001 9.080 1.00 1.43 H new ATOM 0 HD3 ARG A 150 -16.126 -9.071 8.569 1.00 1.43 H new ATOM 0 HE ARG A 150 -17.166 -11.066 8.067 1.00 1.84 H new ATOM 0 HH11 ARG A 150 -13.674 -11.482 7.693 1.00 2.45 H new ATOM 0 HH12 ARG A 150 -13.813 -13.187 7.250 1.00 2.45 H new ATOM 0 HH21 ARG A 150 -17.329 -13.245 7.496 1.00 2.86 H new ATOM 0 HH22 ARG A 150 -15.874 -14.180 7.139 1.00 2.86 H new ATOM 2396 N ALA A 151 -14.317 -4.532 7.455 1.00 0.88 N ATOM 2397 CA ALA A 151 -13.603 -3.358 7.935 1.00 0.91 C ATOM 2398 C ALA A 151 -14.403 -2.079 7.744 1.00 0.92 C ATOM 2399 O ALA A 151 -14.983 -1.552 8.693 1.00 1.18 O ATOM 2400 CB ALA A 151 -12.254 -3.244 7.239 1.00 0.89 C ATOM 0 H ALA A 151 -14.815 -4.409 6.574 1.00 0.88 H new ATOM 0 HA ALA A 151 -13.450 -3.486 9.007 1.00 0.91 H new ATOM 0 HB1 ALA A 151 -11.729 -2.362 7.606 1.00 0.89 H new ATOM 0 HB2 ALA A 151 -11.660 -4.134 7.449 1.00 0.89 H new ATOM 0 HB3 ALA A 151 -12.406 -3.154 6.163 1.00 0.89 H new ATOM 2406 N PHE A 152 -14.414 -1.570 6.519 1.00 0.79 N ATOM 2407 CA PHE A 152 -15.126 -0.340 6.223 1.00 0.99 C ATOM 2408 C PHE A 152 -16.019 -0.490 5.003 1.00 0.88 C ATOM 2409 O PHE A 152 -15.892 -1.447 4.242 1.00 1.32 O ATOM 2410 CB PHE A 152 -14.138 0.799 5.999 1.00 1.26 C ATOM 2411 CG PHE A 152 -13.445 1.270 7.248 1.00 2.02 C ATOM 2412 CD1 PHE A 152 -12.503 0.475 7.880 1.00 2.81 C ATOM 2413 CD2 PHE A 152 -13.732 2.516 7.786 1.00 2.37 C ATOM 2414 CE1 PHE A 152 -11.860 0.911 9.024 1.00 3.76 C ATOM 2415 CE2 PHE A 152 -13.094 2.957 8.928 1.00 3.27 C ATOM 2416 CZ PHE A 152 -12.156 2.155 9.548 1.00 3.92 C ATOM 0 H PHE A 152 -13.939 -1.990 5.720 1.00 0.79 H new ATOM 0 HA PHE A 152 -15.759 -0.112 7.080 1.00 0.99 H new ATOM 0 HB2 PHE A 152 -13.386 0.476 5.280 1.00 1.26 H new ATOM 0 HB3 PHE A 152 -14.667 1.640 5.551 1.00 1.26 H new ATOM 0 HD1 PHE A 152 -12.268 -0.498 7.474 1.00 2.81 H new ATOM 0 HD2 PHE A 152 -14.464 3.149 7.306 1.00 2.37 H new ATOM 0 HE1 PHE A 152 -11.128 0.281 9.507 1.00 3.76 H new ATOM 0 HE2 PHE A 152 -13.328 3.929 9.337 1.00 3.27 H new ATOM 0 HZ PHE A 152 -11.655 2.499 10.441 1.00 3.92 H new ATOM 2426 N ASP A 153 -16.926 0.464 4.827 1.00 0.92 N ATOM 2427 CA ASP A 153 -17.851 0.438 3.704 1.00 1.10 C ATOM 2428 C ASP A 153 -17.217 1.009 2.437 1.00 1.14 C ATOM 2429 O ASP A 153 -17.608 0.638 1.330 1.00 1.88 O ATOM 2430 CB ASP A 153 -19.127 1.210 4.048 1.00 1.43 C ATOM 2431 CG ASP A 153 -18.854 2.658 4.414 1.00 2.10 C ATOM 2432 OD1 ASP A 153 -18.343 3.401 3.550 1.00 2.58 O ATOM 2433 OD2 ASP A 153 -19.150 3.048 5.563 1.00 2.80 O ATOM 0 H ASP A 153 -17.039 1.265 5.449 1.00 0.92 H new ATOM 0 HA ASP A 153 -18.103 -0.604 3.510 1.00 1.10 H new ATOM 0 HB2 ASP A 153 -19.808 1.177 3.197 1.00 1.43 H new ATOM 0 HB3 ASP A 153 -19.632 0.718 4.880 1.00 1.43 H new ATOM 2438 N LYS A 154 -16.248 1.915 2.593 1.00 0.75 N ATOM 2439 CA LYS A 154 -15.597 2.517 1.430 1.00 0.78 C ATOM 2440 C LYS A 154 -14.416 3.420 1.806 1.00 0.91 C ATOM 2441 O LYS A 154 -13.262 3.005 1.709 1.00 1.80 O ATOM 2442 CB LYS A 154 -16.618 3.334 0.630 1.00 0.89 C ATOM 2443 CG LYS A 154 -15.990 4.180 -0.467 1.00 0.86 C ATOM 2444 CD LYS A 154 -16.992 5.131 -1.101 1.00 1.03 C ATOM 2445 CE LYS A 154 -17.620 6.060 -0.072 1.00 1.54 C ATOM 2446 NZ LYS A 154 -18.590 7.005 -0.692 1.00 2.17 N ATOM 0 H LYS A 154 -15.903 2.242 3.495 1.00 0.75 H new ATOM 0 HA LYS A 154 -15.203 1.696 0.831 1.00 0.78 H new ATOM 0 HB2 LYS A 154 -17.345 2.656 0.184 1.00 0.89 H new ATOM 0 HB3 LYS A 154 -17.166 3.985 1.312 1.00 0.89 H new ATOM 0 HG2 LYS A 154 -15.160 4.752 -0.052 1.00 0.86 H new ATOM 0 HG3 LYS A 154 -15.575 3.527 -1.235 1.00 0.86 H new ATOM 0 HD2 LYS A 154 -16.495 5.723 -1.869 1.00 1.03 H new ATOM 0 HD3 LYS A 154 -17.774 4.557 -1.597 1.00 1.03 H new ATOM 0 HE2 LYS A 154 -18.127 5.468 0.689 1.00 1.54 H new ATOM 0 HE3 LYS A 154 -16.836 6.624 0.433 1.00 1.54 H new ATOM 0 HZ1 LYS A 154 -18.994 7.619 0.043 1.00 2.17 H new ATOM 0 HZ2 LYS A 154 -18.101 7.589 -1.401 1.00 2.17 H new ATOM 0 HZ3 LYS A 154 -19.352 6.468 -1.152 1.00 2.17 H new ATOM 2460 N LEU A 155 -14.747 4.667 2.173 1.00 0.61 N ATOM 2461 CA LEU A 155 -13.784 5.730 2.524 1.00 0.61 C ATOM 2462 C LEU A 155 -13.689 6.715 1.364 1.00 0.68 C ATOM 2463 O LEU A 155 -13.955 6.359 0.216 1.00 0.89 O ATOM 2464 CB LEU A 155 -12.378 5.211 2.865 1.00 0.60 C ATOM 2465 CG LEU A 155 -12.287 4.250 4.055 1.00 0.60 C ATOM 2466 CD1 LEU A 155 -10.834 4.005 4.429 1.00 1.18 C ATOM 2467 CD2 LEU A 155 -13.064 4.787 5.247 1.00 1.23 C ATOM 0 H LEU A 155 -15.717 4.976 2.237 1.00 0.61 H new ATOM 0 HA LEU A 155 -14.162 6.209 3.427 1.00 0.61 H new ATOM 0 HB2 LEU A 155 -11.975 4.708 1.986 1.00 0.60 H new ATOM 0 HB3 LEU A 155 -11.735 6.068 3.065 1.00 0.60 H new ATOM 0 HG LEU A 155 -12.734 3.300 3.761 1.00 0.60 H new ATOM 0 HD11 LEU A 155 -10.787 3.320 5.276 1.00 1.18 H new ATOM 0 HD12 LEU A 155 -10.308 3.568 3.580 1.00 1.18 H new ATOM 0 HD13 LEU A 155 -10.364 4.950 4.700 1.00 1.18 H new ATOM 0 HD21 LEU A 155 -12.984 4.087 6.079 1.00 1.23 H new ATOM 0 HD22 LEU A 155 -12.653 5.752 5.544 1.00 1.23 H new ATOM 0 HD23 LEU A 155 -14.112 4.907 4.974 1.00 1.23 H new ATOM 2479 N ASN A 156 -13.315 7.956 1.658 1.00 0.66 N ATOM 2480 CA ASN A 156 -13.200 8.977 0.627 1.00 0.77 C ATOM 2481 C ASN A 156 -11.746 9.345 0.375 1.00 0.65 C ATOM 2482 O ASN A 156 -10.880 9.110 1.219 1.00 0.69 O ATOM 2483 CB ASN A 156 -13.990 10.223 1.021 1.00 1.04 C ATOM 2484 CG ASN A 156 -15.488 9.998 0.965 1.00 1.66 C ATOM 2485 OD1 ASN A 156 -16.041 9.684 -0.089 1.00 2.44 O ATOM 2486 ND2 ASN A 156 -16.154 10.160 2.100 1.00 2.12 N ATOM 0 H ASN A 156 -13.087 8.277 2.599 1.00 0.66 H new ATOM 0 HA ASN A 156 -13.614 8.567 -0.294 1.00 0.77 H new ATOM 0 HB2 ASN A 156 -13.708 10.525 2.030 1.00 1.04 H new ATOM 0 HB3 ASN A 156 -13.723 11.044 0.356 1.00 1.04 H new ATOM 0 HD21 ASN A 156 -17.165 10.024 2.122 1.00 2.12 H new ATOM 0 HD22 ASN A 156 -15.656 10.421 2.951 1.00 2.12 H new ATOM 2493 N LYS A 157 -11.487 9.923 -0.792 1.00 0.64 N ATOM 2494 CA LYS A 157 -10.137 10.322 -1.155 1.00 0.64 C ATOM 2495 C LYS A 157 -9.654 11.452 -0.257 1.00 0.68 C ATOM 2496 O LYS A 157 -9.954 12.622 -0.501 1.00 0.95 O ATOM 2497 CB LYS A 157 -10.062 10.765 -2.620 1.00 0.79 C ATOM 2498 CG LYS A 157 -10.403 9.678 -3.632 1.00 0.96 C ATOM 2499 CD LYS A 157 -11.887 9.344 -3.630 1.00 1.67 C ATOM 2500 CE LYS A 157 -12.232 8.333 -4.711 1.00 1.70 C ATOM 2501 NZ LYS A 157 -13.681 7.991 -4.715 1.00 2.51 N ATOM 0 H LYS A 157 -12.193 10.124 -1.500 1.00 0.64 H new ATOM 0 HA LYS A 157 -9.492 9.454 -1.022 1.00 0.64 H new ATOM 0 HB2 LYS A 157 -10.741 11.605 -2.767 1.00 0.79 H new ATOM 0 HB3 LYS A 157 -9.055 11.130 -2.824 1.00 0.79 H new ATOM 0 HG2 LYS A 157 -10.106 10.004 -4.629 1.00 0.96 H new ATOM 0 HG3 LYS A 157 -9.829 8.779 -3.407 1.00 0.96 H new ATOM 0 HD2 LYS A 157 -12.170 8.947 -2.655 1.00 1.67 H new ATOM 0 HD3 LYS A 157 -12.466 10.255 -3.784 1.00 1.67 H new ATOM 0 HE2 LYS A 157 -11.952 8.734 -5.685 1.00 1.70 H new ATOM 0 HE3 LYS A 157 -11.646 7.426 -4.559 1.00 1.70 H new ATOM 0 HZ1 LYS A 157 -13.872 7.299 -5.467 1.00 2.51 H new ATOM 0 HZ2 LYS A 157 -13.944 7.584 -3.795 1.00 2.51 H new ATOM 0 HZ3 LYS A 157 -14.240 8.851 -4.886 1.00 2.51 H new ATOM 2515 N TRP A 158 -8.905 11.091 0.778 1.00 0.73 N ATOM 2516 CA TRP A 158 -8.370 12.066 1.720 1.00 0.83 C ATOM 2517 C TRP A 158 -9.458 13.030 2.195 1.00 1.08 C ATOM 2518 O TRP A 158 -9.577 14.126 1.608 1.00 1.47 O ATOM 2519 CB TRP A 158 -7.219 12.841 1.069 1.00 0.85 C ATOM 2520 CG TRP A 158 -6.579 13.854 1.969 1.00 1.04 C ATOM 2521 CD1 TRP A 158 -6.427 15.188 1.718 1.00 1.51 C ATOM 2522 CD2 TRP A 158 -5.988 13.618 3.252 1.00 1.55 C ATOM 2523 NE1 TRP A 158 -5.787 15.796 2.770 1.00 1.52 N ATOM 2524 CE2 TRP A 158 -5.507 14.854 3.724 1.00 1.52 C ATOM 2525 CE3 TRP A 158 -5.822 12.483 4.050 1.00 2.50 C ATOM 2526 CZ2 TRP A 158 -4.872 14.984 4.956 1.00 2.07 C ATOM 2527 CZ3 TRP A 158 -5.192 12.614 5.272 1.00 3.24 C ATOM 2528 CH2 TRP A 158 -4.723 13.858 5.714 1.00 2.95 C ATOM 2529 OXT TRP A 158 -10.184 12.678 3.150 1.00 1.75 O ATOM 0 H TRP A 158 -8.653 10.125 0.987 1.00 0.73 H new ATOM 0 HA TRP A 158 -7.994 11.530 2.592 1.00 0.83 H new ATOM 0 HB2 TRP A 158 -6.459 12.133 0.738 1.00 0.85 H new ATOM 0 HB3 TRP A 158 -7.593 13.346 0.179 1.00 0.85 H new ATOM 0 HD1 TRP A 158 -6.761 15.691 0.823 1.00 1.51 H new ATOM 0 HE1 TRP A 158 -5.557 16.788 2.831 1.00 1.52 H new ATOM 0 HE3 TRP A 158 -6.180 11.520 3.717 1.00 2.50 H new ATOM 0 HZ2 TRP A 158 -4.510 15.942 5.300 1.00 2.07 H new ATOM 0 HZ3 TRP A 158 -5.059 11.743 5.897 1.00 3.24 H new ATOM 0 HH2 TRP A 158 -4.233 13.928 6.674 1.00 2.95 H new TER 2540 TRP A 158