USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 Single : A 86 LYS NZ :NH3+ -120:sc= -0.0135 (180deg=-0.173) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 153:sc= -1.08! USER MOD Single : A 98 SER OG : rot -168:sc= -0.963 USER MOD Single : A 103 MET CE :methyl -150:sc= -0.0567 (180deg=-0.882) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -5.01! C(o=-5!,f=-8.8!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= -0.356 (180deg=-0.535) USER MOD Single : A 120 MET CE :methyl -159:sc= -0.506 (180deg=-1.02) USER MOD Single : A 122 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.58) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -120:sc= -0.334 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -134:sc= -9.14! (180deg=-10.3!) USER MOD Single : A 138 LYS NZ :NH3+ 145:sc= -0.621 (180deg=-2.97!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -3.35! C(o=-3.4!,f=-9.5!) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.106 F(o=-1.9,f=-0.11) USER MOD Single : A 150 TYR OH : rot 180:sc= -2.77 USER MOD Single : A 157 MET CE :methyl -110:sc= 0 (180deg=-1.44) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 56.774 -18.629 0.497 1.00 7.24 N ATOM 2 CA LYS A 86 56.097 -19.856 -0.014 1.00 7.10 C ATOM 3 C LYS A 86 55.208 -20.462 1.075 1.00 6.94 C ATOM 4 O LYS A 86 54.234 -21.132 0.794 1.00 7.49 O ATOM 5 CB LYS A 86 57.234 -20.814 -0.372 1.00 7.61 C ATOM 6 CG LYS A 86 56.694 -21.939 -1.259 1.00 8.01 C ATOM 7 CD LYS A 86 56.718 -21.493 -2.722 1.00 8.72 C ATOM 8 CE LYS A 86 55.285 -21.259 -3.208 1.00 9.14 C ATOM 9 NZ LYS A 86 54.720 -22.623 -3.407 1.00 9.95 N ATOM 0 HA LYS A 86 55.454 -19.648 -0.869 1.00 7.10 H new ATOM 0 HB2 LYS A 86 58.027 -20.276 -0.891 1.00 7.61 H new ATOM 0 HB3 LYS A 86 57.672 -21.230 0.535 1.00 7.61 H new ATOM 0 HG2 LYS A 86 57.297 -22.838 -1.132 1.00 8.01 H new ATOM 0 HG3 LYS A 86 55.677 -22.194 -0.962 1.00 8.01 H new ATOM 0 HD2 LYS A 86 57.302 -20.579 -2.825 1.00 8.72 H new ATOM 0 HD3 LYS A 86 57.203 -22.252 -3.337 1.00 8.72 H new ATOM 0 HE2 LYS A 86 54.707 -20.695 -2.476 1.00 9.14 H new ATOM 0 HE3 LYS A 86 55.271 -20.686 -4.135 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 54.436 -22.740 -4.401 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 55.439 -23.335 -3.166 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 53.890 -22.748 -2.793 1.00 9.95 H new ATOM 25 N ASP A 87 55.537 -20.234 2.318 1.00 6.50 N ATOM 26 CA ASP A 87 54.712 -20.798 3.425 1.00 6.70 C ATOM 27 C ASP A 87 53.498 -19.901 3.688 1.00 6.03 C ATOM 28 O ASP A 87 52.420 -20.137 3.180 1.00 6.49 O ATOM 29 CB ASP A 87 55.641 -20.813 4.639 1.00 7.25 C ATOM 30 CG ASP A 87 56.774 -21.814 4.402 1.00 7.77 C ATOM 31 OD1 ASP A 87 57.596 -21.556 3.538 1.00 8.06 O ATOM 32 OD2 ASP A 87 56.800 -22.822 5.089 1.00 8.12 O ATOM 0 H ASP A 87 56.341 -19.682 2.615 1.00 6.50 H new ATOM 0 HA ASP A 87 54.328 -21.791 3.192 1.00 6.70 H new ATOM 0 HB2 ASP A 87 56.051 -19.817 4.809 1.00 7.25 H new ATOM 0 HB3 ASP A 87 55.082 -21.085 5.535 1.00 7.25 H new ATOM 37 N ASP A 88 53.667 -18.875 4.475 1.00 5.23 N ATOM 38 CA ASP A 88 52.523 -17.964 4.768 1.00 5.00 C ATOM 39 C ASP A 88 52.800 -16.571 4.199 1.00 4.51 C ATOM 40 O ASP A 88 52.509 -15.567 4.819 1.00 4.82 O ATOM 41 CB ASP A 88 52.436 -17.913 6.294 1.00 5.14 C ATOM 42 CG ASP A 88 52.047 -19.292 6.830 1.00 5.52 C ATOM 43 OD1 ASP A 88 52.828 -20.214 6.659 1.00 5.82 O ATOM 44 OD2 ASP A 88 50.976 -19.403 7.401 1.00 5.85 O ATOM 0 H ASP A 88 54.547 -18.627 4.928 1.00 5.23 H new ATOM 0 HA ASP A 88 51.592 -18.312 4.320 1.00 5.00 H new ATOM 0 HB2 ASP A 88 53.394 -17.605 6.713 1.00 5.14 H new ATOM 0 HB3 ASP A 88 51.700 -17.171 6.602 1.00 5.14 H new ATOM 49 N SER A 89 53.363 -16.501 3.023 1.00 4.24 N ATOM 50 CA SER A 89 53.659 -15.173 2.416 1.00 4.26 C ATOM 51 C SER A 89 54.253 -14.231 3.467 1.00 3.50 C ATOM 52 O SER A 89 53.896 -13.074 3.551 1.00 3.81 O ATOM 53 CB SER A 89 52.308 -14.650 1.929 1.00 5.08 C ATOM 54 OG SER A 89 52.112 -15.043 0.577 1.00 5.76 O ATOM 0 H SER A 89 53.630 -17.306 2.457 1.00 4.24 H new ATOM 0 HA SER A 89 54.385 -15.242 1.606 1.00 4.26 H new ATOM 0 HB2 SER A 89 51.506 -15.043 2.554 1.00 5.08 H new ATOM 0 HB3 SER A 89 52.274 -13.564 2.013 1.00 5.08 H new ATOM 0 HG SER A 89 51.246 -14.711 0.262 1.00 5.76 H new ATOM 60 N LYS A 90 55.160 -14.721 4.269 1.00 3.10 N ATOM 61 CA LYS A 90 55.777 -13.853 5.315 1.00 3.08 C ATOM 62 C LYS A 90 57.296 -14.038 5.328 1.00 2.72 C ATOM 63 O LYS A 90 57.796 -15.137 5.471 1.00 3.21 O ATOM 64 CB LYS A 90 55.167 -14.329 6.634 1.00 3.94 C ATOM 65 CG LYS A 90 54.656 -13.125 7.426 1.00 4.74 C ATOM 66 CD LYS A 90 54.851 -13.379 8.921 1.00 5.61 C ATOM 67 CE LYS A 90 54.519 -12.107 9.704 1.00 6.53 C ATOM 68 NZ LYS A 90 55.834 -11.591 10.173 1.00 7.32 N ATOM 0 H LYS A 90 55.500 -15.682 4.246 1.00 3.10 H new ATOM 0 HA LYS A 90 55.589 -12.794 5.137 1.00 3.08 H new ATOM 0 HB2 LYS A 90 54.349 -15.023 6.439 1.00 3.94 H new ATOM 0 HB3 LYS A 90 55.912 -14.871 7.217 1.00 3.94 H new ATOM 0 HG2 LYS A 90 55.192 -12.225 7.126 1.00 4.74 H new ATOM 0 HG3 LYS A 90 53.601 -12.955 7.210 1.00 4.74 H new ATOM 0 HD2 LYS A 90 54.210 -14.197 9.248 1.00 5.61 H new ATOM 0 HD3 LYS A 90 55.879 -13.682 9.118 1.00 5.61 H new ATOM 0 HE2 LYS A 90 54.010 -11.377 9.074 1.00 6.53 H new ATOM 0 HE3 LYS A 90 53.857 -12.321 10.543 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 55.690 -10.718 10.719 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 56.292 -12.304 10.775 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 56.441 -11.390 9.353 1.00 7.32 H new ATOM 82 N GLY A 91 58.035 -12.973 5.182 1.00 2.57 N ATOM 83 CA GLY A 91 59.520 -13.091 5.188 1.00 2.96 C ATOM 84 C GLY A 91 60.074 -12.670 3.825 1.00 2.68 C ATOM 85 O GLY A 91 59.598 -13.097 2.792 1.00 2.94 O ATOM 0 H GLY A 91 57.675 -12.027 5.059 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.942 -12.463 5.973 1.00 2.96 H new ATOM 0 HA3 GLY A 91 59.812 -14.117 5.409 1.00 2.96 H new ATOM 89 N LYS A 92 61.080 -11.839 3.815 1.00 2.54 N ATOM 90 CA LYS A 92 61.667 -11.392 2.519 1.00 2.34 C ATOM 91 C LYS A 92 63.178 -11.187 2.669 1.00 2.22 C ATOM 92 O LYS A 92 63.627 -10.199 3.216 1.00 2.57 O ATOM 93 CB LYS A 92 60.975 -10.066 2.203 1.00 2.51 C ATOM 94 CG LYS A 92 59.746 -10.324 1.327 1.00 2.46 C ATOM 95 CD LYS A 92 58.500 -10.419 2.210 1.00 2.69 C ATOM 96 CE LYS A 92 57.480 -9.366 1.771 1.00 2.82 C ATOM 97 NZ LYS A 92 56.995 -8.748 3.037 1.00 3.39 N ATOM 0 H LYS A 92 61.521 -11.450 4.648 1.00 2.54 H new ATOM 0 HA LYS A 92 61.521 -12.124 1.725 1.00 2.34 H new ATOM 0 HB2 LYS A 92 60.678 -9.570 3.127 1.00 2.51 H new ATOM 0 HB3 LYS A 92 61.666 -9.397 1.690 1.00 2.51 H new ATOM 0 HG2 LYS A 92 59.629 -9.520 0.600 1.00 2.46 H new ATOM 0 HG3 LYS A 92 59.876 -11.247 0.763 1.00 2.46 H new ATOM 0 HD2 LYS A 92 58.064 -11.415 2.136 1.00 2.69 H new ATOM 0 HD3 LYS A 92 58.770 -10.266 3.255 1.00 2.69 H new ATOM 0 HE2 LYS A 92 57.937 -8.622 1.118 1.00 2.82 H new ATOM 0 HE3 LYS A 92 56.660 -9.819 1.213 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 56.291 -8.015 2.818 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 56.559 -9.479 3.635 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 57.796 -8.319 3.543 1.00 3.39 H new ATOM 111 N THR A 93 63.964 -12.112 2.191 1.00 1.93 N ATOM 112 CA THR A 93 65.446 -11.967 2.313 1.00 1.88 C ATOM 113 C THR A 93 65.982 -11.025 1.231 1.00 1.62 C ATOM 114 O THR A 93 65.234 -10.342 0.561 1.00 1.47 O ATOM 115 CB THR A 93 66.009 -13.377 2.122 1.00 1.99 C ATOM 116 OG1 THR A 93 65.201 -14.091 1.195 1.00 2.05 O ATOM 117 CG2 THR A 93 66.020 -14.111 3.463 1.00 2.53 C ATOM 0 H THR A 93 63.647 -12.961 1.722 1.00 1.93 H new ATOM 0 HA THR A 93 65.735 -11.542 3.274 1.00 1.88 H new ATOM 0 HB THR A 93 67.027 -13.310 1.738 1.00 1.99 H new ATOM 0 HG1 THR A 93 65.744 -14.770 0.743 1.00 2.05 H new ATOM 0 HG21 THR A 93 66.421 -15.115 3.325 1.00 2.53 H new ATOM 0 HG22 THR A 93 66.643 -13.565 4.171 1.00 2.53 H new ATOM 0 HG23 THR A 93 65.003 -14.177 3.850 1.00 2.53 H new ATOM 125 N GLU A 94 67.276 -10.981 1.062 1.00 1.64 N ATOM 126 CA GLU A 94 67.868 -10.082 0.029 1.00 1.49 C ATOM 127 C GLU A 94 67.421 -10.506 -1.373 1.00 1.41 C ATOM 128 O GLU A 94 67.650 -9.809 -2.342 1.00 1.36 O ATOM 129 CB GLU A 94 69.380 -10.252 0.181 1.00 1.64 C ATOM 130 CG GLU A 94 69.981 -8.979 0.778 1.00 1.85 C ATOM 131 CD GLU A 94 71.504 -9.015 0.630 1.00 2.27 C ATOM 132 OE1 GLU A 94 72.138 -9.715 1.402 1.00 2.65 O ATOM 133 OE2 GLU A 94 72.010 -8.342 -0.254 1.00 2.83 O ATOM 0 H GLU A 94 67.950 -11.530 1.596 1.00 1.64 H new ATOM 0 HA GLU A 94 67.554 -9.046 0.158 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.598 -11.105 0.824 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.832 -10.460 -0.789 1.00 1.64 H new ATOM 0 HG2 GLU A 94 69.577 -8.102 0.273 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.709 -8.895 1.830 1.00 1.85 H new ATOM 140 N GLU A 95 66.788 -11.640 -1.492 1.00 1.47 N ATOM 141 CA GLU A 95 66.335 -12.100 -2.836 1.00 1.49 C ATOM 142 C GLU A 95 64.978 -11.482 -3.183 1.00 1.39 C ATOM 143 O GLU A 95 64.680 -11.222 -4.331 1.00 1.40 O ATOM 144 CB GLU A 95 66.220 -13.620 -2.717 1.00 1.68 C ATOM 145 CG GLU A 95 65.037 -13.971 -1.812 1.00 2.03 C ATOM 146 CD GLU A 95 64.916 -15.491 -1.695 1.00 2.24 C ATOM 147 OE1 GLU A 95 64.422 -16.101 -2.629 1.00 2.56 O ATOM 148 OE2 GLU A 95 65.320 -16.021 -0.673 1.00 2.72 O ATOM 0 H GLU A 95 66.565 -12.267 -0.719 1.00 1.47 H new ATOM 0 HA GLU A 95 67.025 -11.804 -3.626 1.00 1.49 H new ATOM 0 HB2 GLU A 95 66.082 -14.064 -3.703 1.00 1.68 H new ATOM 0 HB3 GLU A 95 67.141 -14.034 -2.307 1.00 1.68 H new ATOM 0 HG2 GLU A 95 65.177 -13.530 -0.825 1.00 2.03 H new ATOM 0 HG3 GLU A 95 64.117 -13.553 -2.220 1.00 2.03 H new ATOM 155 N GLU A 96 64.151 -11.246 -2.201 1.00 1.38 N ATOM 156 CA GLU A 96 62.814 -10.648 -2.482 1.00 1.34 C ATOM 157 C GLU A 96 62.887 -9.120 -2.411 1.00 1.16 C ATOM 158 O GLU A 96 62.504 -8.427 -3.332 1.00 1.07 O ATOM 159 CB GLU A 96 61.898 -11.194 -1.387 1.00 1.51 C ATOM 160 CG GLU A 96 61.154 -12.422 -1.913 1.00 2.07 C ATOM 161 CD GLU A 96 59.700 -12.051 -2.208 1.00 2.19 C ATOM 162 OE1 GLU A 96 59.440 -11.582 -3.305 1.00 2.61 O ATOM 163 OE2 GLU A 96 58.871 -12.241 -1.334 1.00 2.60 O ATOM 0 H GLU A 96 64.342 -11.441 -1.218 1.00 1.38 H new ATOM 0 HA GLU A 96 62.452 -10.899 -3.479 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.483 -11.459 -0.507 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.186 -10.429 -1.078 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.636 -12.793 -2.817 1.00 2.07 H new ATOM 0 HG3 GLU A 96 61.193 -13.226 -1.178 1.00 2.07 H new ATOM 170 N LEU A 97 63.374 -8.590 -1.322 1.00 1.14 N ATOM 171 CA LEU A 97 63.468 -7.106 -1.191 1.00 0.99 C ATOM 172 C LEU A 97 64.103 -6.497 -2.444 1.00 0.82 C ATOM 173 O LEU A 97 63.776 -5.398 -2.845 1.00 0.70 O ATOM 174 CB LEU A 97 64.362 -6.873 0.027 1.00 1.03 C ATOM 175 CG LEU A 97 63.637 -7.333 1.293 1.00 1.31 C ATOM 176 CD1 LEU A 97 64.660 -7.846 2.309 1.00 1.57 C ATOM 177 CD2 LEU A 97 62.868 -6.155 1.896 1.00 1.71 C ATOM 0 H LEU A 97 63.711 -9.119 -0.518 1.00 1.14 H new ATOM 0 HA LEU A 97 62.489 -6.642 -1.077 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.298 -7.420 -0.087 1.00 1.03 H new ATOM 0 HB3 LEU A 97 64.618 -5.816 0.106 1.00 1.03 H new ATOM 0 HG LEU A 97 62.940 -8.133 1.042 1.00 1.31 H new ATOM 0 HD11 LEU A 97 64.144 -8.174 3.211 1.00 1.57 H new ATOM 0 HD12 LEU A 97 65.210 -8.684 1.880 1.00 1.57 H new ATOM 0 HD13 LEU A 97 65.356 -7.046 2.560 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.351 -6.482 2.798 1.00 1.71 H new ATOM 0 HD22 LEU A 97 63.565 -5.355 2.147 1.00 1.71 H new ATOM 0 HD23 LEU A 97 62.139 -5.788 1.173 1.00 1.71 H new ATOM 189 N SER A 98 65.013 -7.199 -3.064 1.00 0.87 N ATOM 190 CA SER A 98 65.670 -6.652 -4.287 1.00 0.78 C ATOM 191 C SER A 98 64.619 -6.211 -5.310 1.00 0.75 C ATOM 192 O SER A 98 64.643 -5.098 -5.798 1.00 0.74 O ATOM 193 CB SER A 98 66.504 -7.806 -4.839 1.00 0.93 C ATOM 194 OG SER A 98 65.807 -9.029 -4.638 1.00 1.41 O ATOM 0 H SER A 98 65.330 -8.125 -2.778 1.00 0.87 H new ATOM 0 HA SER A 98 66.280 -5.776 -4.067 1.00 0.78 H new ATOM 0 HB2 SER A 98 66.697 -7.655 -5.901 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.473 -7.840 -4.341 1.00 0.93 H new ATOM 0 HG SER A 98 66.412 -9.782 -4.807 1.00 1.41 H new ATOM 200 N ASP A 99 63.697 -7.072 -5.640 1.00 0.80 N ATOM 201 CA ASP A 99 62.649 -6.697 -6.634 1.00 0.82 C ATOM 202 C ASP A 99 61.677 -5.687 -6.021 1.00 0.77 C ATOM 203 O ASP A 99 60.935 -5.024 -6.719 1.00 0.77 O ATOM 204 CB ASP A 99 61.928 -8.005 -6.963 1.00 0.93 C ATOM 205 CG ASP A 99 62.163 -8.359 -8.433 1.00 1.45 C ATOM 206 OD1 ASP A 99 62.371 -7.448 -9.217 1.00 2.18 O ATOM 207 OD2 ASP A 99 62.131 -9.537 -8.750 1.00 1.92 O ATOM 0 H ASP A 99 63.623 -8.018 -5.266 1.00 0.80 H new ATOM 0 HA ASP A 99 63.072 -6.231 -7.524 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.294 -8.806 -6.321 1.00 0.93 H new ATOM 0 HB3 ASP A 99 60.860 -7.904 -6.768 1.00 0.93 H new ATOM 212 N LEU A 100 61.674 -5.563 -4.723 1.00 0.77 N ATOM 213 CA LEU A 100 60.749 -4.594 -4.068 1.00 0.77 C ATOM 214 C LEU A 100 61.238 -3.162 -4.298 1.00 0.64 C ATOM 215 O LEU A 100 60.543 -2.205 -4.018 1.00 0.64 O ATOM 216 CB LEU A 100 60.795 -4.944 -2.582 1.00 0.85 C ATOM 217 CG LEU A 100 59.494 -5.643 -2.183 1.00 1.16 C ATOM 218 CD1 LEU A 100 58.348 -4.632 -2.199 1.00 1.54 C ATOM 219 CD2 LEU A 100 59.197 -6.767 -3.179 1.00 1.57 C ATOM 0 H LEU A 100 62.272 -6.090 -4.087 1.00 0.77 H new ATOM 0 HA LEU A 100 59.737 -4.653 -4.468 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.647 -5.592 -2.376 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.932 -4.040 -1.988 1.00 0.85 H new ATOM 0 HG LEU A 100 59.596 -6.060 -1.181 1.00 1.16 H new ATOM 0 HD11 LEU A 100 57.420 -5.129 -1.915 1.00 1.54 H new ATOM 0 HD12 LEU A 100 58.561 -3.830 -1.493 1.00 1.54 H new ATOM 0 HD13 LEU A 100 58.244 -4.215 -3.201 1.00 1.54 H new ATOM 0 HD21 LEU A 100 58.270 -7.267 -2.897 1.00 1.57 H new ATOM 0 HD22 LEU A 100 59.094 -6.348 -4.180 1.00 1.57 H new ATOM 0 HD23 LEU A 100 60.015 -7.487 -3.170 1.00 1.57 H new ATOM 231 N PHE A 101 62.430 -3.007 -4.805 1.00 0.60 N ATOM 232 CA PHE A 101 62.963 -1.638 -5.052 1.00 0.53 C ATOM 233 C PHE A 101 62.936 -1.322 -6.549 1.00 0.49 C ATOM 234 O PHE A 101 62.646 -0.214 -6.956 1.00 0.61 O ATOM 235 CB PHE A 101 64.401 -1.675 -4.538 1.00 0.57 C ATOM 236 CG PHE A 101 64.982 -0.281 -4.562 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.278 0.333 -5.785 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.225 0.397 -3.362 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.816 1.625 -5.807 1.00 1.23 C ATOM 240 CE2 PHE A 101 65.764 1.689 -3.383 1.00 1.30 C ATOM 241 CZ PHE A 101 66.060 2.302 -4.606 1.00 0.40 C ATOM 0 H PHE A 101 63.058 -3.770 -5.059 1.00 0.60 H new ATOM 0 HA PHE A 101 62.372 -0.869 -4.555 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.425 -2.073 -3.524 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.002 -2.341 -5.156 1.00 0.57 H new ATOM 0 HD1 PHE A 101 65.091 -0.190 -6.711 1.00 1.23 H new ATOM 0 HD2 PHE A 101 64.997 -0.077 -2.419 1.00 1.31 H new ATOM 0 HE1 PHE A 101 66.043 2.100 -6.750 1.00 1.23 H new ATOM 0 HE2 PHE A 101 65.951 2.212 -2.457 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.477 3.298 -4.623 1.00 0.40 H new ATOM 251 N ARG A 102 63.237 -2.287 -7.375 1.00 0.53 N ATOM 252 CA ARG A 102 63.229 -2.039 -8.845 1.00 0.70 C ATOM 253 C ARG A 102 61.796 -2.084 -9.384 1.00 0.80 C ATOM 254 O ARG A 102 61.556 -1.846 -10.551 1.00 1.09 O ATOM 255 CB ARG A 102 64.064 -3.173 -9.443 1.00 0.87 C ATOM 256 CG ARG A 102 65.138 -2.586 -10.361 1.00 1.28 C ATOM 257 CD ARG A 102 66.522 -2.976 -9.839 1.00 1.83 C ATOM 258 NE ARG A 102 67.475 -2.136 -10.616 1.00 2.26 N ATOM 259 CZ ARG A 102 68.550 -2.672 -11.125 1.00 2.89 C ATOM 260 NH1 ARG A 102 68.512 -3.212 -12.313 1.00 3.22 N ATOM 261 NH2 ARG A 102 69.664 -2.667 -10.446 1.00 3.68 N ATOM 0 H ARG A 102 63.488 -3.235 -7.096 1.00 0.53 H new ATOM 0 HA ARG A 102 63.631 -1.058 -9.100 1.00 0.70 H new ATOM 0 HB2 ARG A 102 64.529 -3.755 -8.647 1.00 0.87 H new ATOM 0 HB3 ARG A 102 63.424 -3.854 -10.004 1.00 0.87 H new ATOM 0 HG2 ARG A 102 65.004 -2.955 -11.378 1.00 1.28 H new ATOM 0 HG3 ARG A 102 65.045 -1.501 -10.400 1.00 1.28 H new ATOM 0 HD2 ARG A 102 66.609 -2.786 -8.769 1.00 1.83 H new ATOM 0 HD3 ARG A 102 66.717 -4.038 -9.991 1.00 1.83 H new ATOM 0 HE ARG A 102 67.287 -1.142 -10.750 1.00 2.26 H new ATOM 0 HH11 ARG A 102 67.641 -3.215 -12.844 1.00 3.22 H new ATOM 0 HH12 ARG A 102 69.353 -3.631 -12.710 1.00 3.22 H new ATOM 0 HH21 ARG A 102 69.694 -2.244 -9.518 1.00 3.68 H new ATOM 0 HH22 ARG A 102 70.505 -3.086 -10.843 1.00 3.68 H new ATOM 275 N MET A 103 60.844 -2.387 -8.544 1.00 0.68 N ATOM 276 CA MET A 103 59.429 -2.445 -9.011 1.00 0.81 C ATOM 277 C MET A 103 58.583 -1.399 -8.280 1.00 0.79 C ATOM 278 O MET A 103 57.413 -1.229 -8.560 1.00 0.90 O ATOM 279 CB MET A 103 58.954 -3.857 -8.664 1.00 0.91 C ATOM 280 CG MET A 103 58.050 -4.384 -9.781 1.00 1.35 C ATOM 281 SD MET A 103 56.524 -5.038 -9.062 1.00 1.92 S ATOM 282 CE MET A 103 57.291 -6.308 -8.026 1.00 1.63 C ATOM 0 H MET A 103 60.984 -2.597 -7.556 1.00 0.68 H new ATOM 0 HA MET A 103 59.339 -2.234 -10.077 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.811 -4.518 -8.534 1.00 0.91 H new ATOM 0 HB3 MET A 103 58.412 -3.847 -7.718 1.00 0.91 H new ATOM 0 HG2 MET A 103 57.820 -3.584 -10.485 1.00 1.35 H new ATOM 0 HG3 MET A 103 58.564 -5.164 -10.342 1.00 1.35 H new ATOM 0 HE1 MET A 103 56.605 -7.147 -7.911 1.00 1.63 H new ATOM 0 HE2 MET A 103 58.211 -6.654 -8.496 1.00 1.63 H new ATOM 0 HE3 MET A 103 57.520 -5.889 -7.046 1.00 1.63 H new ATOM 292 N PHE A 104 59.163 -0.697 -7.344 1.00 0.71 N ATOM 293 CA PHE A 104 58.385 0.337 -6.600 1.00 0.75 C ATOM 294 C PHE A 104 59.056 1.707 -6.736 1.00 0.68 C ATOM 295 O PHE A 104 58.809 2.609 -5.960 1.00 0.80 O ATOM 296 CB PHE A 104 58.397 -0.126 -5.142 1.00 0.76 C ATOM 297 CG PHE A 104 57.157 -0.943 -4.865 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.890 -0.396 -5.104 1.00 1.71 C ATOM 299 CD2 PHE A 104 57.274 -2.250 -4.372 1.00 1.67 C ATOM 300 CE1 PHE A 104 54.740 -1.156 -4.851 1.00 2.03 C ATOM 301 CE2 PHE A 104 56.123 -3.008 -4.121 1.00 1.90 C ATOM 302 CZ PHE A 104 54.858 -2.460 -4.360 1.00 1.76 C ATOM 0 H PHE A 104 60.139 -0.794 -7.063 1.00 0.71 H new ATOM 0 HA PHE A 104 57.370 0.443 -6.984 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.289 -0.720 -4.945 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.435 0.736 -4.476 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.799 0.611 -5.483 1.00 1.71 H new ATOM 0 HD2 PHE A 104 58.250 -2.672 -4.186 1.00 1.67 H new ATOM 0 HE1 PHE A 104 53.763 -0.735 -5.035 1.00 2.03 H new ATOM 0 HE2 PHE A 104 56.212 -4.016 -3.743 1.00 1.90 H new ATOM 0 HZ PHE A 104 53.971 -3.045 -4.165 1.00 1.76 H new ATOM 312 N ASP A 105 59.898 1.870 -7.718 1.00 0.58 N ATOM 313 CA ASP A 105 60.580 3.183 -7.905 1.00 0.52 C ATOM 314 C ASP A 105 59.692 4.125 -8.721 1.00 0.52 C ATOM 315 O ASP A 105 59.886 4.304 -9.907 1.00 0.60 O ATOM 316 CB ASP A 105 61.864 2.860 -8.669 1.00 0.60 C ATOM 317 CG ASP A 105 62.916 3.931 -8.378 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.571 4.914 -7.744 1.00 0.48 O ATOM 319 OD2 ASP A 105 64.047 3.749 -8.795 1.00 0.54 O ATOM 0 H ASP A 105 60.144 1.152 -8.399 1.00 0.58 H new ATOM 0 HA ASP A 105 60.786 3.680 -6.957 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.238 1.879 -8.375 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.661 2.816 -9.739 1.00 0.60 H new ATOM 324 N LYS A 106 58.716 4.726 -8.097 1.00 0.51 N ATOM 325 CA LYS A 106 57.816 5.652 -8.842 1.00 0.60 C ATOM 326 C LYS A 106 58.642 6.609 -9.705 1.00 0.59 C ATOM 327 O LYS A 106 58.398 6.762 -10.884 1.00 0.70 O ATOM 328 CB LYS A 106 57.052 6.421 -7.765 1.00 0.63 C ATOM 329 CG LYS A 106 55.886 7.174 -8.409 1.00 1.39 C ATOM 330 CD LYS A 106 54.812 6.174 -8.844 1.00 1.58 C ATOM 331 CE LYS A 106 54.649 6.228 -10.364 1.00 2.00 C ATOM 332 NZ LYS A 106 53.357 6.937 -10.588 1.00 2.79 N ATOM 0 H LYS A 106 58.503 4.616 -7.106 1.00 0.51 H new ATOM 0 HA LYS A 106 57.142 5.120 -9.513 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.680 5.733 -7.006 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.718 7.122 -7.261 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.467 7.890 -7.702 1.00 1.39 H new ATOM 0 HG3 LYS A 106 56.238 7.744 -9.269 1.00 1.39 H new ATOM 0 HD2 LYS A 106 55.091 5.167 -8.533 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.865 6.407 -8.358 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.478 6.760 -10.831 1.00 2.00 H new ATOM 0 HE3 LYS A 106 54.630 5.227 -10.795 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.175 7.013 -11.609 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 52.586 6.404 -10.138 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.407 7.889 -10.173 1.00 2.79 H new ATOM 346 N ASN A 107 59.620 7.253 -9.128 1.00 0.53 N ATOM 347 CA ASN A 107 60.456 8.196 -9.926 1.00 0.59 C ATOM 348 C ASN A 107 61.387 7.412 -10.856 1.00 0.60 C ATOM 349 O ASN A 107 61.709 7.850 -11.942 1.00 0.71 O ATOM 350 CB ASN A 107 61.262 8.985 -8.894 1.00 0.62 C ATOM 351 CG ASN A 107 62.433 9.687 -9.584 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.546 9.655 -9.100 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.229 10.324 -10.705 1.00 1.67 N ATOM 0 H ASN A 107 59.876 7.168 -8.144 1.00 0.53 H new ATOM 0 HA ASN A 107 59.856 8.852 -10.556 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.623 9.719 -8.403 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.633 8.315 -8.118 1.00 0.62 H new ATOM 0 HD21 ASN A 107 63.004 10.794 -11.173 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.295 10.352 -11.113 1.00 1.67 H new ATOM 360 N ALA A 108 61.818 6.252 -10.438 1.00 0.56 N ATOM 361 CA ALA A 108 62.725 5.438 -11.300 1.00 0.62 C ATOM 362 C ALA A 108 64.050 6.172 -11.517 1.00 0.64 C ATOM 363 O ALA A 108 64.383 6.558 -12.619 1.00 0.78 O ATOM 364 CB ALA A 108 61.975 5.278 -12.622 1.00 0.72 C ATOM 0 H ALA A 108 61.582 5.833 -9.538 1.00 0.56 H new ATOM 0 HA ALA A 108 62.968 4.475 -10.851 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.578 4.689 -13.313 1.00 0.72 H new ATOM 0 HB2 ALA A 108 61.027 4.770 -12.443 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.785 6.261 -13.054 1.00 0.72 H new ATOM 370 N ASP A 109 64.809 6.368 -10.473 1.00 0.57 N ATOM 371 CA ASP A 109 66.111 7.078 -10.619 1.00 0.63 C ATOM 372 C ASP A 109 67.197 6.379 -9.795 1.00 0.63 C ATOM 373 O ASP A 109 68.313 6.847 -9.696 1.00 0.76 O ATOM 374 CB ASP A 109 65.855 8.487 -10.083 1.00 0.62 C ATOM 375 CG ASP A 109 65.771 8.446 -8.556 1.00 0.70 C ATOM 376 OD1 ASP A 109 65.057 7.599 -8.045 1.00 0.75 O ATOM 377 OD2 ASP A 109 66.422 9.261 -7.924 1.00 1.20 O ATOM 0 H ASP A 109 64.583 6.067 -9.525 1.00 0.57 H new ATOM 0 HA ASP A 109 66.459 7.090 -11.652 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.656 9.157 -10.396 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.928 8.882 -10.498 1.00 0.62 H new ATOM 382 N GLY A 110 66.876 5.262 -9.199 1.00 0.58 N ATOM 383 CA GLY A 110 67.890 4.538 -8.381 1.00 0.62 C ATOM 384 C GLY A 110 67.576 4.722 -6.895 1.00 0.54 C ATOM 385 O GLY A 110 67.896 3.885 -6.075 1.00 0.57 O ATOM 0 H GLY A 110 65.957 4.821 -9.243 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.888 3.478 -8.635 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.888 4.917 -8.602 1.00 0.62 H new ATOM 389 N TYR A 111 66.949 5.812 -6.544 1.00 0.50 N ATOM 390 CA TYR A 111 66.611 6.051 -5.111 1.00 0.48 C ATOM 391 C TYR A 111 65.124 6.385 -4.973 1.00 0.42 C ATOM 392 O TYR A 111 64.472 6.756 -5.926 1.00 0.52 O ATOM 393 CB TYR A 111 67.465 7.248 -4.693 1.00 0.52 C ATOM 394 CG TYR A 111 68.922 6.934 -4.926 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.442 6.941 -6.225 1.00 1.36 C ATOM 396 CD2 TYR A 111 69.754 6.636 -3.840 1.00 1.38 C ATOM 397 CE1 TYR A 111 70.794 6.651 -6.440 1.00 1.40 C ATOM 398 CE2 TYR A 111 71.106 6.346 -4.055 1.00 1.46 C ATOM 399 CZ TYR A 111 71.626 6.354 -5.354 1.00 0.83 C ATOM 400 OH TYR A 111 72.959 6.067 -5.566 1.00 0.97 O ATOM 0 H TYR A 111 66.656 6.547 -7.187 1.00 0.50 H new ATOM 0 HA TYR A 111 66.805 5.176 -4.490 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.177 8.131 -5.264 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.296 7.479 -3.641 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.800 7.170 -7.062 1.00 1.36 H new ATOM 0 HD2 TYR A 111 69.353 6.630 -2.837 1.00 1.38 H new ATOM 0 HE1 TYR A 111 71.195 6.656 -7.443 1.00 1.40 H new ATOM 0 HE2 TYR A 111 71.748 6.116 -3.218 1.00 1.46 H new ATOM 0 HH TYR A 111 73.395 5.885 -4.707 1.00 0.97 H new ATOM 410 N ILE A 112 64.583 6.258 -3.792 1.00 0.36 N ATOM 411 CA ILE A 112 63.139 6.572 -3.599 1.00 0.32 C ATOM 412 C ILE A 112 62.953 7.528 -2.425 1.00 0.35 C ATOM 413 O ILE A 112 63.458 7.310 -1.341 1.00 0.43 O ATOM 414 CB ILE A 112 62.480 5.233 -3.319 1.00 0.32 C ATOM 415 CG1 ILE A 112 62.929 4.261 -4.417 1.00 0.40 C ATOM 416 CG2 ILE A 112 60.955 5.414 -3.332 1.00 0.35 C ATOM 417 CD1 ILE A 112 61.792 3.319 -4.812 1.00 0.46 C ATOM 0 H ILE A 112 65.077 5.951 -2.954 1.00 0.36 H new ATOM 0 HA ILE A 112 62.703 7.063 -4.469 1.00 0.32 H new ATOM 0 HB ILE A 112 62.766 4.840 -2.343 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.262 4.822 -5.290 1.00 0.40 H new ATOM 0 HG13 ILE A 112 63.782 3.680 -4.067 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.473 4.457 -3.132 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.667 6.133 -2.565 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.640 5.781 -4.309 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.136 2.640 -5.592 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.478 2.743 -3.942 1.00 0.46 H new ATOM 0 HD13 ILE A 112 60.949 3.902 -5.184 1.00 0.46 H new ATOM 429 N ASP A 113 62.230 8.588 -2.636 1.00 0.36 N ATOM 430 CA ASP A 113 62.004 9.572 -1.535 1.00 0.44 C ATOM 431 C ASP A 113 60.697 9.254 -0.806 1.00 0.44 C ATOM 432 O ASP A 113 59.953 8.383 -1.202 1.00 0.60 O ATOM 433 CB ASP A 113 61.921 10.936 -2.220 1.00 0.56 C ATOM 434 CG ASP A 113 60.818 10.914 -3.279 1.00 0.94 C ATOM 435 OD1 ASP A 113 59.665 11.050 -2.909 1.00 1.58 O ATOM 436 OD2 ASP A 113 61.147 10.766 -4.444 1.00 1.53 O ATOM 0 H ASP A 113 61.783 8.820 -3.523 1.00 0.36 H new ATOM 0 HA ASP A 113 62.800 9.545 -0.790 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.715 11.712 -1.483 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.877 11.181 -2.682 1.00 0.56 H new ATOM 441 N LEU A 114 60.415 9.952 0.260 1.00 0.47 N ATOM 442 CA LEU A 114 59.157 9.685 1.016 1.00 0.47 C ATOM 443 C LEU A 114 57.942 9.758 0.084 1.00 0.50 C ATOM 444 O LEU A 114 56.971 9.049 0.260 1.00 0.52 O ATOM 445 CB LEU A 114 59.090 10.792 2.068 1.00 0.57 C ATOM 446 CG LEU A 114 58.169 10.357 3.209 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.437 11.223 4.442 1.00 1.36 C ATOM 448 CD2 LEU A 114 56.713 10.525 2.775 1.00 1.57 C ATOM 0 H LEU A 114 61.001 10.695 0.641 1.00 0.47 H new ATOM 0 HA LEU A 114 59.150 8.691 1.462 1.00 0.47 H new ATOM 0 HB2 LEU A 114 60.088 11.004 2.452 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.719 11.713 1.619 1.00 0.57 H new ATOM 0 HG LEU A 114 58.360 9.312 3.453 1.00 0.68 H new ATOM 0 HD11 LEU A 114 57.780 10.912 5.255 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.476 11.106 4.750 1.00 1.36 H new ATOM 0 HD13 LEU A 114 58.246 12.269 4.201 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.054 10.216 3.586 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.524 11.571 2.532 1.00 1.57 H new ATOM 0 HD23 LEU A 114 56.522 9.908 1.897 1.00 1.57 H new ATOM 460 N GLU A 115 57.985 10.612 -0.901 1.00 0.56 N ATOM 461 CA GLU A 115 56.827 10.737 -1.838 1.00 0.64 C ATOM 462 C GLU A 115 56.644 9.451 -2.652 1.00 0.56 C ATOM 463 O GLU A 115 55.539 9.065 -2.977 1.00 0.61 O ATOM 464 CB GLU A 115 57.189 11.903 -2.759 1.00 0.77 C ATOM 465 CG GLU A 115 55.979 12.824 -2.917 1.00 1.54 C ATOM 466 CD GLU A 115 55.114 12.337 -4.081 1.00 2.04 C ATOM 467 OE1 GLU A 115 54.701 11.190 -4.047 1.00 2.67 O ATOM 468 OE2 GLU A 115 54.879 13.121 -4.987 1.00 2.45 O ATOM 0 H GLU A 115 58.771 11.230 -1.100 1.00 0.56 H new ATOM 0 HA GLU A 115 55.890 10.905 -1.306 1.00 0.64 H new ATOM 0 HB2 GLU A 115 58.031 12.459 -2.346 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.503 11.527 -3.733 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.395 12.836 -1.997 1.00 1.54 H new ATOM 0 HG3 GLU A 115 56.309 13.847 -3.098 1.00 1.54 H new ATOM 475 N GLU A 116 57.716 8.790 -2.990 1.00 0.49 N ATOM 476 CA GLU A 116 57.600 7.536 -3.790 1.00 0.45 C ATOM 477 C GLU A 116 57.306 6.338 -2.879 1.00 0.43 C ATOM 478 O GLU A 116 56.650 5.394 -3.272 1.00 0.51 O ATOM 479 CB GLU A 116 58.966 7.376 -4.458 1.00 0.42 C ATOM 480 CG GLU A 116 59.213 8.547 -5.412 1.00 0.94 C ATOM 481 CD GLU A 116 60.611 8.421 -6.019 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.088 7.304 -6.131 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.181 9.443 -6.363 1.00 1.43 O ATOM 0 H GLU A 116 58.668 9.063 -2.747 1.00 0.49 H new ATOM 0 HA GLU A 116 56.786 7.583 -4.514 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.750 7.339 -3.701 1.00 0.42 H new ATOM 0 HB3 GLU A 116 59.006 6.434 -5.005 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.461 8.553 -6.201 1.00 0.94 H new ATOM 0 HG3 GLU A 116 59.121 9.492 -4.877 1.00 0.94 H new ATOM 490 N LEU A 117 57.788 6.369 -1.667 1.00 0.37 N ATOM 491 CA LEU A 117 57.539 5.233 -0.734 1.00 0.42 C ATOM 492 C LEU A 117 56.042 5.093 -0.449 1.00 0.50 C ATOM 493 O LEU A 117 55.516 4.002 -0.357 1.00 0.58 O ATOM 494 CB LEU A 117 58.295 5.601 0.543 1.00 0.43 C ATOM 495 CG LEU A 117 58.682 4.327 1.294 1.00 0.61 C ATOM 496 CD1 LEU A 117 60.055 3.851 0.816 1.00 0.90 C ATOM 497 CD2 LEU A 117 58.737 4.621 2.795 1.00 1.53 C ATOM 0 H LEU A 117 58.344 7.132 -1.282 1.00 0.37 H new ATOM 0 HA LEU A 117 57.870 4.280 -1.148 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.188 6.175 0.296 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.673 6.234 1.176 1.00 0.43 H new ATOM 0 HG LEU A 117 57.942 3.550 1.102 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.332 2.943 1.351 1.00 0.90 H new ATOM 0 HD12 LEU A 117 60.016 3.645 -0.254 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.796 4.626 1.009 1.00 0.90 H new ATOM 0 HD21 LEU A 117 59.013 3.714 3.333 1.00 1.53 H new ATOM 0 HD22 LEU A 117 59.478 5.397 2.987 1.00 1.53 H new ATOM 0 HD23 LEU A 117 57.759 4.962 3.135 1.00 1.53 H new ATOM 509 N LYS A 118 55.351 6.190 -0.306 1.00 0.52 N ATOM 510 CA LYS A 118 53.889 6.118 -0.023 1.00 0.63 C ATOM 511 C LYS A 118 53.169 5.348 -1.134 1.00 0.71 C ATOM 512 O LYS A 118 52.339 4.499 -0.877 1.00 0.83 O ATOM 513 CB LYS A 118 53.419 7.572 0.014 1.00 0.68 C ATOM 514 CG LYS A 118 53.575 8.122 1.432 1.00 1.05 C ATOM 515 CD LYS A 118 52.828 9.453 1.550 1.00 1.33 C ATOM 516 CE LYS A 118 53.794 10.605 1.267 1.00 1.49 C ATOM 517 NZ LYS A 118 53.570 10.953 -0.164 1.00 1.82 N ATOM 0 H LYS A 118 55.735 7.133 -0.373 1.00 0.52 H new ATOM 0 HA LYS A 118 53.676 5.597 0.911 1.00 0.63 H new ATOM 0 HB2 LYS A 118 54.001 8.171 -0.686 1.00 0.68 H new ATOM 0 HB3 LYS A 118 52.377 7.637 -0.300 1.00 0.68 H new ATOM 0 HG2 LYS A 118 53.183 7.407 2.156 1.00 1.05 H new ATOM 0 HG3 LYS A 118 54.631 8.264 1.664 1.00 1.05 H new ATOM 0 HD2 LYS A 118 51.997 9.480 0.846 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.403 9.557 2.548 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.593 11.457 1.916 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.827 10.306 1.443 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 53.996 11.880 -0.367 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 54.008 10.230 -0.770 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 52.549 10.992 -0.356 1.00 1.82 H new ATOM 531 N ILE A 119 53.478 5.641 -2.367 1.00 0.72 N ATOM 532 CA ILE A 119 52.811 4.928 -3.494 1.00 0.84 C ATOM 533 C ILE A 119 53.132 3.432 -3.445 1.00 0.86 C ATOM 534 O ILE A 119 52.337 2.604 -3.844 1.00 0.96 O ATOM 535 CB ILE A 119 53.395 5.558 -4.754 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.909 7.004 -4.862 1.00 1.00 C ATOM 537 CG2 ILE A 119 52.935 4.771 -5.982 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.571 7.669 -6.065 1.00 1.08 C ATOM 0 H ILE A 119 54.164 6.344 -2.644 1.00 0.72 H new ATOM 0 HA ILE A 119 51.725 5.018 -3.454 1.00 0.84 H new ATOM 0 HB ILE A 119 54.484 5.539 -4.703 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.825 7.028 -4.969 1.00 1.00 H new ATOM 0 HG13 ILE A 119 53.151 7.550 -3.951 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.353 5.223 -6.881 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.277 3.739 -5.902 1.00 1.06 H new ATOM 0 HG23 ILE A 119 51.847 4.789 -6.039 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.227 8.700 -6.146 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.653 7.656 -5.938 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.306 7.126 -6.972 1.00 1.08 H new ATOM 550 N MET A 120 54.291 3.081 -2.960 1.00 0.82 N ATOM 551 CA MET A 120 54.664 1.638 -2.888 1.00 0.92 C ATOM 552 C MET A 120 53.719 0.892 -1.939 1.00 0.92 C ATOM 553 O MET A 120 53.342 -0.236 -2.185 1.00 1.01 O ATOM 554 CB MET A 120 56.092 1.625 -2.343 1.00 0.96 C ATOM 555 CG MET A 120 56.444 0.216 -1.864 1.00 1.50 C ATOM 556 SD MET A 120 58.234 0.088 -1.627 1.00 2.13 S ATOM 557 CE MET A 120 58.306 0.866 0.006 1.00 2.73 C ATOM 0 H MET A 120 54.996 3.730 -2.610 1.00 0.82 H new ATOM 0 HA MET A 120 54.593 1.145 -3.857 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.791 1.942 -3.117 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.185 2.334 -1.520 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.926 -0.002 -0.930 1.00 1.50 H new ATOM 0 HG3 MET A 120 56.109 -0.522 -2.593 1.00 1.50 H new ATOM 0 HE1 MET A 120 59.316 1.230 0.191 1.00 2.73 H new ATOM 0 HE2 MET A 120 57.607 1.701 0.042 1.00 2.73 H new ATOM 0 HE3 MET A 120 58.038 0.135 0.769 1.00 2.73 H new ATOM 567 N LEU A 121 53.330 1.517 -0.861 1.00 0.88 N ATOM 568 CA LEU A 121 52.405 0.841 0.097 1.00 0.96 C ATOM 569 C LEU A 121 50.968 0.931 -0.412 1.00 0.99 C ATOM 570 O LEU A 121 50.149 0.079 -0.138 1.00 1.12 O ATOM 571 CB LEU A 121 52.528 1.614 1.406 1.00 0.98 C ATOM 572 CG LEU A 121 53.992 1.971 1.680 1.00 1.19 C ATOM 573 CD1 LEU A 121 54.127 2.491 3.112 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.862 0.725 1.510 1.00 1.81 C ATOM 0 H LEU A 121 53.611 2.463 -0.602 1.00 0.88 H new ATOM 0 HA LEU A 121 52.654 -0.213 0.218 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.929 2.523 1.357 1.00 0.98 H new ATOM 0 HB3 LEU A 121 52.133 1.016 2.227 1.00 0.98 H new ATOM 0 HG LEU A 121 54.316 2.740 0.978 1.00 1.19 H new ATOM 0 HD11 LEU A 121 55.168 2.746 3.310 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.506 3.378 3.237 1.00 1.51 H new ATOM 0 HD13 LEU A 121 53.803 1.720 3.811 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.904 0.979 1.705 1.00 1.81 H new ATOM 0 HD22 LEU A 121 54.538 -0.043 2.212 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.765 0.350 0.491 1.00 1.81 H new ATOM 586 N GLN A 122 50.653 1.960 -1.147 1.00 0.95 N ATOM 587 CA GLN A 122 49.266 2.096 -1.670 1.00 1.05 C ATOM 588 C GLN A 122 49.000 0.991 -2.686 1.00 1.12 C ATOM 589 O GLN A 122 47.873 0.603 -2.920 1.00 1.24 O ATOM 590 CB GLN A 122 49.219 3.472 -2.330 1.00 1.07 C ATOM 591 CG GLN A 122 48.590 4.470 -1.356 1.00 1.49 C ATOM 592 CD GLN A 122 49.519 5.674 -1.188 1.00 1.51 C ATOM 593 OE1 GLN A 122 49.983 6.238 -2.159 1.00 2.24 O ATOM 594 NE2 GLN A 122 49.808 6.096 0.012 1.00 1.52 N ATOM 0 H GLN A 122 51.293 2.710 -1.407 1.00 0.95 H new ATOM 0 HA GLN A 122 48.509 2.007 -0.891 1.00 1.05 H new ATOM 0 HB2 GLN A 122 50.224 3.794 -2.602 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.638 3.428 -3.251 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.619 4.796 -1.729 1.00 1.49 H new ATOM 0 HG3 GLN A 122 48.417 3.993 -0.391 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.418 5.622 0.827 1.00 1.52 H new ATOM 0 HE22 GLN A 122 50.424 6.900 0.135 1.00 1.52 H new ATOM 603 N ALA A 123 50.037 0.469 -3.280 1.00 1.11 N ATOM 604 CA ALA A 123 49.849 -0.628 -4.265 1.00 1.26 C ATOM 605 C ALA A 123 49.407 -1.892 -3.527 1.00 1.39 C ATOM 606 O ALA A 123 48.893 -2.822 -4.117 1.00 1.55 O ATOM 607 CB ALA A 123 51.221 -0.830 -4.909 1.00 1.31 C ATOM 0 H ALA A 123 51.004 0.755 -3.125 1.00 1.11 H new ATOM 0 HA ALA A 123 49.090 -0.400 -5.013 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.161 -1.627 -5.650 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.535 0.094 -5.395 1.00 1.31 H new ATOM 0 HB3 ALA A 123 51.947 -1.101 -4.142 1.00 1.31 H new ATOM 613 N THR A 124 49.601 -1.929 -2.235 1.00 1.38 N ATOM 614 CA THR A 124 49.188 -3.131 -1.457 1.00 1.59 C ATOM 615 C THR A 124 47.756 -2.955 -0.936 1.00 1.77 C ATOM 616 O THR A 124 47.084 -3.914 -0.609 1.00 2.03 O ATOM 617 CB THR A 124 50.191 -3.228 -0.299 1.00 1.65 C ATOM 618 OG1 THR A 124 50.208 -4.559 0.196 1.00 2.26 O ATOM 619 CG2 THR A 124 49.792 -2.270 0.827 1.00 1.97 C ATOM 0 H THR A 124 50.026 -1.181 -1.687 1.00 1.38 H new ATOM 0 HA THR A 124 49.191 -4.038 -2.061 1.00 1.59 H new ATOM 0 HB THR A 124 51.182 -2.955 -0.661 1.00 1.65 H new ATOM 0 HG1 THR A 124 50.849 -4.625 0.935 1.00 2.26 H new ATOM 0 HG21 THR A 124 50.511 -2.348 1.643 1.00 1.97 H new ATOM 0 HG22 THR A 124 49.782 -1.248 0.449 1.00 1.97 H new ATOM 0 HG23 THR A 124 48.799 -2.532 1.192 1.00 1.97 H new ATOM 627 N GLY A 125 47.284 -1.739 -0.859 1.00 1.74 N ATOM 628 CA GLY A 125 45.897 -1.511 -0.361 1.00 2.07 C ATOM 629 C GLY A 125 45.919 -0.491 0.778 1.00 1.64 C ATOM 630 O GLY A 125 46.965 -0.032 1.193 1.00 2.16 O ATOM 0 H GLY A 125 47.797 -0.897 -1.119 1.00 1.74 H new ATOM 0 HA2 GLY A 125 45.264 -1.151 -1.172 1.00 2.07 H new ATOM 0 HA3 GLY A 125 45.466 -2.450 -0.013 1.00 2.07 H new ATOM 634 N GLU A 126 44.772 -0.132 1.287 1.00 1.68 N ATOM 635 CA GLU A 126 44.727 0.860 2.401 1.00 1.94 C ATOM 636 C GLU A 126 45.402 0.285 3.650 1.00 1.76 C ATOM 637 O GLU A 126 44.769 -0.343 4.475 1.00 2.42 O ATOM 638 CB GLU A 126 43.238 1.099 2.657 1.00 2.83 C ATOM 639 CG GLU A 126 42.794 2.374 1.938 1.00 3.43 C ATOM 640 CD GLU A 126 42.266 2.020 0.547 1.00 4.44 C ATOM 641 OE1 GLU A 126 41.519 1.061 0.446 1.00 4.97 O ATOM 642 OE2 GLU A 126 42.619 2.712 -0.393 1.00 5.02 O ATOM 0 H GLU A 126 43.864 -0.482 0.980 1.00 1.68 H new ATOM 0 HA GLU A 126 45.252 1.783 2.154 1.00 1.94 H new ATOM 0 HB2 GLU A 126 42.656 0.248 2.303 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.052 1.189 3.727 1.00 2.83 H new ATOM 0 HG2 GLU A 126 42.019 2.878 2.515 1.00 3.43 H new ATOM 0 HG3 GLU A 126 43.631 3.067 1.855 1.00 3.43 H new ATOM 649 N THR A 127 46.681 0.497 3.795 1.00 1.67 N ATOM 650 CA THR A 127 47.394 -0.037 4.992 1.00 1.97 C ATOM 651 C THR A 127 47.473 1.037 6.081 1.00 1.60 C ATOM 652 O THR A 127 47.015 0.845 7.189 1.00 1.70 O ATOM 653 CB THR A 127 48.792 -0.403 4.494 1.00 2.78 C ATOM 654 OG1 THR A 127 48.682 -1.188 3.314 1.00 3.37 O ATOM 655 CG2 THR A 127 49.528 -1.200 5.573 1.00 3.72 C ATOM 0 H THR A 127 47.263 1.016 3.138 1.00 1.67 H new ATOM 0 HA THR A 127 46.883 -0.895 5.429 1.00 1.97 H new ATOM 0 HB THR A 127 49.350 0.507 4.275 1.00 2.78 H new ATOM 0 HG1 THR A 127 49.103 -2.061 3.461 1.00 3.37 H new ATOM 0 HG21 THR A 127 50.525 -1.460 5.217 1.00 3.72 H new ATOM 0 HG22 THR A 127 49.612 -0.597 6.477 1.00 3.72 H new ATOM 0 HG23 THR A 127 48.972 -2.111 5.795 1.00 3.72 H new ATOM 663 N ILE A 128 48.050 2.167 5.773 1.00 1.39 N ATOM 664 CA ILE A 128 48.156 3.252 6.792 1.00 1.35 C ATOM 665 C ILE A 128 47.961 4.621 6.136 1.00 1.27 C ATOM 666 O ILE A 128 47.618 4.720 4.975 1.00 1.39 O ATOM 667 CB ILE A 128 49.566 3.130 7.359 1.00 1.59 C ATOM 668 CG1 ILE A 128 50.560 2.947 6.212 1.00 2.00 C ATOM 669 CG2 ILE A 128 49.636 1.920 8.294 1.00 2.58 C ATOM 670 CD1 ILE A 128 51.940 2.645 6.790 1.00 2.44 C ATOM 0 H ILE A 128 48.452 2.386 4.862 1.00 1.39 H new ATOM 0 HA ILE A 128 47.395 3.160 7.567 1.00 1.35 H new ATOM 0 HB ILE A 128 49.815 4.033 7.916 1.00 1.59 H new ATOM 0 HG12 ILE A 128 50.238 2.133 5.562 1.00 2.00 H new ATOM 0 HG13 ILE A 128 50.598 3.848 5.600 1.00 2.00 H new ATOM 0 HG21 ILE A 128 50.644 1.832 8.700 1.00 2.58 H new ATOM 0 HG22 ILE A 128 48.926 2.050 9.111 1.00 2.58 H new ATOM 0 HG23 ILE A 128 49.388 1.016 7.738 1.00 2.58 H new ATOM 0 HD11 ILE A 128 52.654 2.513 5.977 1.00 2.44 H new ATOM 0 HD12 ILE A 128 52.259 3.474 7.422 1.00 2.44 H new ATOM 0 HD13 ILE A 128 51.894 1.732 7.384 1.00 2.44 H new ATOM 682 N THR A 129 48.179 5.678 6.870 1.00 1.18 N ATOM 683 CA THR A 129 48.007 7.039 6.287 1.00 1.21 C ATOM 684 C THR A 129 49.367 7.730 6.152 1.00 1.10 C ATOM 685 O THR A 129 50.377 7.224 6.598 1.00 1.04 O ATOM 686 CB THR A 129 47.119 7.787 7.283 1.00 1.37 C ATOM 687 OG1 THR A 129 47.766 7.834 8.548 1.00 1.63 O ATOM 688 CG2 THR A 129 45.780 7.062 7.418 1.00 1.63 C ATOM 0 H THR A 129 48.469 5.658 7.848 1.00 1.18 H new ATOM 0 HA THR A 129 47.565 7.011 5.291 1.00 1.21 H new ATOM 0 HB THR A 129 46.945 8.802 6.926 1.00 1.37 H new ATOM 0 HG1 THR A 129 47.200 8.314 9.187 1.00 1.63 H new ATOM 0 HG21 THR A 129 45.147 7.595 8.128 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.286 7.027 6.447 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.950 6.047 7.776 1.00 1.63 H new ATOM 696 N GLU A 130 49.402 8.881 5.538 1.00 1.13 N ATOM 697 CA GLU A 130 50.697 9.600 5.375 1.00 1.09 C ATOM 698 C GLU A 130 51.307 9.911 6.744 1.00 1.03 C ATOM 699 O GLU A 130 52.467 10.255 6.854 1.00 0.98 O ATOM 700 CB GLU A 130 50.342 10.893 4.640 1.00 1.23 C ATOM 701 CG GLU A 130 49.724 10.557 3.281 1.00 1.68 C ATOM 702 CD GLU A 130 50.183 11.582 2.244 1.00 2.20 C ATOM 703 OE1 GLU A 130 50.736 12.594 2.645 1.00 2.77 O ATOM 704 OE2 GLU A 130 49.973 11.341 1.067 1.00 2.66 O ATOM 0 H GLU A 130 48.590 9.354 5.142 1.00 1.13 H new ATOM 0 HA GLU A 130 51.431 9.008 4.828 1.00 1.09 H new ATOM 0 HB2 GLU A 130 49.642 11.481 5.234 1.00 1.23 H new ATOM 0 HB3 GLU A 130 51.235 11.503 4.504 1.00 1.23 H new ATOM 0 HG2 GLU A 130 50.021 9.554 2.973 1.00 1.68 H new ATOM 0 HG3 GLU A 130 48.636 10.560 3.354 1.00 1.68 H new ATOM 711 N ASP A 131 50.534 9.794 7.789 1.00 1.08 N ATOM 712 CA ASP A 131 51.071 10.085 9.149 1.00 1.10 C ATOM 713 C ASP A 131 51.971 8.940 9.620 1.00 0.95 C ATOM 714 O ASP A 131 52.936 9.149 10.328 1.00 0.88 O ATOM 715 CB ASP A 131 49.838 10.204 10.045 1.00 1.27 C ATOM 716 CG ASP A 131 49.819 11.582 10.709 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.834 12.256 10.659 1.00 2.09 O ATOM 718 OD2 ASP A 131 48.789 11.940 11.257 1.00 2.28 O ATOM 0 H ASP A 131 49.555 9.510 7.760 1.00 1.08 H new ATOM 0 HA ASP A 131 51.677 10.991 9.168 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.932 10.060 9.456 1.00 1.27 H new ATOM 0 HB3 ASP A 131 49.851 9.423 10.805 1.00 1.27 H new ATOM 723 N ASP A 132 51.664 7.732 9.233 1.00 0.96 N ATOM 724 CA ASP A 132 52.503 6.578 9.659 1.00 0.88 C ATOM 725 C ASP A 132 53.662 6.373 8.679 1.00 0.76 C ATOM 726 O ASP A 132 54.763 6.036 9.066 1.00 0.72 O ATOM 727 CB ASP A 132 51.562 5.373 9.634 1.00 0.99 C ATOM 728 CG ASP A 132 50.649 5.414 10.861 1.00 1.31 C ATOM 729 OD1 ASP A 132 51.165 5.310 11.963 1.00 1.95 O ATOM 730 OD2 ASP A 132 49.450 5.548 10.680 1.00 1.70 O ATOM 0 H ASP A 132 50.868 7.495 8.640 1.00 0.96 H new ATOM 0 HA ASP A 132 52.944 6.732 10.644 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.965 5.383 8.722 1.00 0.99 H new ATOM 0 HB3 ASP A 132 52.138 4.448 9.627 1.00 0.99 H new ATOM 735 N ILE A 133 53.422 6.572 7.412 1.00 0.78 N ATOM 736 CA ILE A 133 54.508 6.387 6.407 1.00 0.73 C ATOM 737 C ILE A 133 55.486 7.565 6.457 1.00 0.66 C ATOM 738 O ILE A 133 56.618 7.464 6.030 1.00 0.63 O ATOM 739 CB ILE A 133 53.791 6.343 5.058 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.700 5.271 5.099 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.797 6.005 3.956 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.762 5.450 3.905 1.00 0.96 C ATOM 0 H ILE A 133 52.520 6.855 7.029 1.00 0.78 H new ATOM 0 HA ILE A 133 55.091 5.485 6.591 1.00 0.73 H new ATOM 0 HB ILE A 133 53.341 7.314 4.852 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.150 4.278 5.076 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.138 5.344 6.030 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.286 5.974 2.994 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.576 6.767 3.928 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.247 5.033 4.160 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.985 4.686 3.935 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.302 6.437 3.948 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.329 5.355 2.979 1.00 0.96 H new ATOM 754 N GLU A 134 55.053 8.682 6.974 1.00 0.73 N ATOM 755 CA GLU A 134 55.955 9.868 7.051 1.00 0.77 C ATOM 756 C GLU A 134 57.132 9.583 7.989 1.00 0.70 C ATOM 757 O GLU A 134 58.279 9.766 7.633 1.00 0.68 O ATOM 758 CB GLU A 134 55.080 10.989 7.614 1.00 0.96 C ATOM 759 CG GLU A 134 54.483 11.802 6.462 1.00 0.95 C ATOM 760 CD GLU A 134 55.340 13.045 6.217 1.00 1.60 C ATOM 761 OE1 GLU A 134 56.551 12.930 6.294 1.00 2.07 O ATOM 762 OE2 GLU A 134 54.769 14.093 5.960 1.00 2.27 O ATOM 0 H GLU A 134 54.114 8.826 7.346 1.00 0.73 H new ATOM 0 HA GLU A 134 56.381 10.127 6.082 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.283 10.569 8.227 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.672 11.636 8.261 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.439 11.194 5.558 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.460 12.094 6.700 1.00 0.95 H new ATOM 769 N GLU A 135 56.857 9.139 9.185 1.00 0.74 N ATOM 770 CA GLU A 135 57.960 8.845 10.146 1.00 0.76 C ATOM 771 C GLU A 135 58.595 7.487 9.829 1.00 0.66 C ATOM 772 O GLU A 135 59.688 7.186 10.265 1.00 0.74 O ATOM 773 CB GLU A 135 57.290 8.814 11.520 1.00 0.88 C ATOM 774 CG GLU A 135 58.271 8.258 12.554 1.00 1.20 C ATOM 775 CD GLU A 135 58.044 8.953 13.898 1.00 1.48 C ATOM 776 OE1 GLU A 135 57.123 9.750 13.983 1.00 2.16 O ATOM 777 OE2 GLU A 135 58.795 8.678 14.819 1.00 1.95 O ATOM 0 H GLU A 135 55.916 8.967 9.539 1.00 0.74 H new ATOM 0 HA GLU A 135 58.757 9.586 10.096 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.975 9.818 11.805 1.00 0.88 H new ATOM 0 HB3 GLU A 135 56.393 8.196 11.485 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.132 7.182 12.661 1.00 1.20 H new ATOM 0 HG3 GLU A 135 59.296 8.416 12.220 1.00 1.20 H new ATOM 784 N LEU A 136 57.919 6.667 9.073 1.00 0.62 N ATOM 785 CA LEU A 136 58.485 5.328 8.732 1.00 0.66 C ATOM 786 C LEU A 136 59.641 5.478 7.739 1.00 0.61 C ATOM 787 O LEU A 136 60.625 4.766 7.807 1.00 0.70 O ATOM 788 CB LEU A 136 57.327 4.562 8.093 1.00 0.77 C ATOM 789 CG LEU A 136 57.693 3.080 7.982 1.00 0.86 C ATOM 790 CD1 LEU A 136 57.829 2.482 9.384 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.592 2.340 7.220 1.00 1.38 C ATOM 0 H LEU A 136 57.000 6.864 8.676 1.00 0.62 H new ATOM 0 HA LEU A 136 58.883 4.813 9.606 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.424 4.680 8.692 1.00 0.77 H new ATOM 0 HB3 LEU A 136 57.109 4.969 7.105 1.00 0.77 H new ATOM 0 HG LEU A 136 58.638 2.978 7.449 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.090 1.427 9.306 1.00 1.63 H new ATOM 0 HD12 LEU A 136 58.611 3.009 9.930 1.00 1.63 H new ATOM 0 HD13 LEU A 136 56.883 2.584 9.916 1.00 1.63 H new ATOM 0 HD21 LEU A 136 56.851 1.284 7.140 1.00 1.38 H new ATOM 0 HD22 LEU A 136 55.648 2.442 7.755 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.492 2.765 6.222 1.00 1.38 H new ATOM 803 N MET A 137 59.531 6.396 6.819 1.00 0.55 N ATOM 804 CA MET A 137 60.624 6.588 5.821 1.00 0.59 C ATOM 805 C MET A 137 61.907 7.043 6.524 1.00 0.65 C ATOM 806 O MET A 137 62.988 6.575 6.224 1.00 0.81 O ATOM 807 CB MET A 137 60.104 7.676 4.877 1.00 0.60 C ATOM 808 CG MET A 137 61.274 8.310 4.114 1.00 0.96 C ATOM 809 SD MET A 137 62.338 7.013 3.435 1.00 1.23 S ATOM 810 CE MET A 137 61.395 6.712 1.921 1.00 1.35 C ATOM 0 H MET A 137 58.732 7.022 6.714 1.00 0.55 H new ATOM 0 HA MET A 137 60.869 5.670 5.287 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.389 7.248 4.174 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.573 8.440 5.446 1.00 0.60 H new ATOM 0 HG2 MET A 137 60.896 8.941 3.310 1.00 0.96 H new ATOM 0 HG3 MET A 137 61.849 8.953 4.780 1.00 0.96 H new ATOM 0 HE1 MET A 137 61.275 5.639 1.774 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.413 7.178 2.005 1.00 1.35 H new ATOM 0 HE3 MET A 137 61.927 7.137 1.070 1.00 1.35 H new ATOM 820 N LYS A 138 61.796 7.952 7.452 1.00 0.62 N ATOM 821 CA LYS A 138 63.010 8.437 8.170 1.00 0.79 C ATOM 822 C LYS A 138 63.677 7.286 8.927 1.00 0.86 C ATOM 823 O LYS A 138 64.816 7.379 9.341 1.00 1.16 O ATOM 824 CB LYS A 138 62.494 9.493 9.148 1.00 0.87 C ATOM 825 CG LYS A 138 63.615 10.480 9.474 1.00 1.55 C ATOM 826 CD LYS A 138 64.157 10.191 10.875 1.00 2.07 C ATOM 827 CE LYS A 138 64.783 11.464 11.452 1.00 2.85 C ATOM 828 NZ LYS A 138 63.721 12.502 11.331 1.00 3.36 N ATOM 0 H LYS A 138 60.918 8.381 7.745 1.00 0.62 H new ATOM 0 HA LYS A 138 63.758 8.841 7.488 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.645 10.021 8.714 1.00 0.87 H new ATOM 0 HB3 LYS A 138 62.139 9.015 10.061 1.00 0.87 H new ATOM 0 HG2 LYS A 138 64.415 10.395 8.738 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.241 11.502 9.421 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.353 9.842 11.523 1.00 2.07 H new ATOM 0 HD3 LYS A 138 64.900 9.395 10.832 1.00 2.07 H new ATOM 0 HE2 LYS A 138 65.080 11.322 12.491 1.00 2.85 H new ATOM 0 HE3 LYS A 138 65.679 11.749 10.900 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 63.774 13.149 12.144 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 63.859 13.039 10.451 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 62.788 12.043 11.313 1.00 3.36 H new ATOM 842 N ASP A 139 62.977 6.201 9.117 1.00 0.71 N ATOM 843 CA ASP A 139 63.574 5.049 9.852 1.00 0.85 C ATOM 844 C ASP A 139 64.275 4.098 8.878 1.00 0.85 C ATOM 845 O ASP A 139 65.114 3.309 9.263 1.00 1.02 O ATOM 846 CB ASP A 139 62.391 4.354 10.525 1.00 0.97 C ATOM 847 CG ASP A 139 62.862 3.671 11.810 1.00 1.50 C ATOM 848 OD1 ASP A 139 62.947 4.350 12.821 1.00 2.33 O ATOM 849 OD2 ASP A 139 63.132 2.482 11.761 1.00 1.80 O ATOM 0 H ASP A 139 62.019 6.062 8.796 1.00 0.71 H new ATOM 0 HA ASP A 139 64.326 5.367 10.574 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.610 5.080 10.752 1.00 0.97 H new ATOM 0 HB3 ASP A 139 61.955 3.619 9.849 1.00 0.97 H new ATOM 854 N GLY A 140 63.935 4.163 7.620 1.00 0.81 N ATOM 855 CA GLY A 140 64.581 3.258 6.627 1.00 0.86 C ATOM 856 C GLY A 140 65.848 3.919 6.080 1.00 0.77 C ATOM 857 O GLY A 140 66.669 3.283 5.451 1.00 0.86 O ATOM 0 H GLY A 140 63.239 4.803 7.237 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.829 2.305 7.095 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.890 3.043 5.812 1.00 0.86 H new ATOM 861 N ASP A 141 66.012 5.193 6.313 1.00 0.70 N ATOM 862 CA ASP A 141 67.226 5.892 5.803 1.00 0.66 C ATOM 863 C ASP A 141 68.403 5.678 6.760 1.00 0.74 C ATOM 864 O ASP A 141 68.397 6.147 7.880 1.00 0.87 O ATOM 865 CB ASP A 141 66.839 7.370 5.754 1.00 0.66 C ATOM 866 CG ASP A 141 66.578 7.781 4.303 1.00 0.76 C ATOM 867 OD1 ASP A 141 66.403 6.898 3.480 1.00 0.92 O ATOM 868 OD2 ASP A 141 66.559 8.972 4.041 1.00 0.83 O ATOM 0 H ASP A 141 65.359 5.779 6.833 1.00 0.70 H new ATOM 0 HA ASP A 141 67.538 5.518 4.828 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.949 7.544 6.358 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.636 7.980 6.178 1.00 0.66 H new ATOM 873 N LYS A 142 69.413 4.975 6.325 1.00 0.75 N ATOM 874 CA LYS A 142 70.588 4.733 7.210 1.00 0.87 C ATOM 875 C LYS A 142 71.444 5.999 7.303 1.00 0.89 C ATOM 876 O LYS A 142 72.351 6.090 8.107 1.00 1.05 O ATOM 877 CB LYS A 142 71.370 3.605 6.536 1.00 0.89 C ATOM 878 CG LYS A 142 70.507 2.343 6.486 1.00 1.24 C ATOM 879 CD LYS A 142 71.347 1.169 5.977 1.00 1.26 C ATOM 880 CE LYS A 142 71.772 0.294 7.158 1.00 1.55 C ATOM 881 NZ LYS A 142 72.940 -0.484 6.658 1.00 1.99 N ATOM 0 H LYS A 142 69.475 4.558 5.396 1.00 0.75 H new ATOM 0 HA LYS A 142 70.293 4.471 8.226 1.00 0.87 H new ATOM 0 HB2 LYS A 142 71.659 3.901 5.527 1.00 0.89 H new ATOM 0 HB3 LYS A 142 72.290 3.407 7.086 1.00 0.89 H new ATOM 0 HG2 LYS A 142 70.114 2.119 7.478 1.00 1.24 H new ATOM 0 HG3 LYS A 142 69.650 2.501 5.831 1.00 1.24 H new ATOM 0 HD2 LYS A 142 70.772 0.580 5.263 1.00 1.26 H new ATOM 0 HD3 LYS A 142 72.227 1.539 5.450 1.00 1.26 H new ATOM 0 HE2 LYS A 142 72.042 0.901 8.022 1.00 1.55 H new ATOM 0 HE3 LYS A 142 70.963 -0.366 7.472 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 73.289 -1.109 7.412 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 72.651 -1.057 5.840 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 73.696 0.170 6.373 1.00 1.99 H new ATOM 895 N ASN A 143 71.163 6.977 6.487 1.00 0.85 N ATOM 896 CA ASN A 143 71.961 8.237 6.528 1.00 1.05 C ATOM 897 C ASN A 143 71.030 9.451 6.486 1.00 1.07 C ATOM 898 O ASN A 143 71.467 10.577 6.361 1.00 1.56 O ATOM 899 CB ASN A 143 72.840 8.189 5.278 1.00 1.08 C ATOM 900 CG ASN A 143 71.958 8.215 4.029 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.757 8.383 4.122 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.505 8.053 2.855 1.00 1.48 N ATOM 0 H ASN A 143 70.416 6.959 5.793 1.00 0.85 H new ATOM 0 HA ASN A 143 72.554 8.323 7.439 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.525 9.037 5.270 1.00 1.08 H new ATOM 0 HB3 ASN A 143 73.451 7.286 5.285 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.925 8.067 2.016 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.512 7.912 2.777 1.00 1.48 H new ATOM 909 N ASN A 144 69.748 9.229 6.590 1.00 0.78 N ATOM 910 CA ASN A 144 68.789 10.370 6.557 1.00 0.82 C ATOM 911 C ASN A 144 69.162 11.344 5.436 1.00 0.82 C ATOM 912 O ASN A 144 69.653 12.429 5.679 1.00 0.92 O ATOM 913 CB ASN A 144 68.929 11.044 7.923 1.00 0.95 C ATOM 914 CG ASN A 144 68.758 10.000 9.028 1.00 1.47 C ATOM 915 OD1 ASN A 144 68.093 8.905 8.777 1.00 2.28 O flip ATOM 916 ND2 ASN A 144 69.233 10.183 10.131 1.00 1.93 N flip ATOM 0 H ASN A 144 69.323 8.308 6.696 1.00 0.78 H new ATOM 0 HA ASN A 144 67.766 10.045 6.366 1.00 0.82 H new ATOM 0 HB2 ASN A 144 69.906 11.521 8.007 1.00 0.95 H new ATOM 0 HB3 ASN A 144 68.181 11.829 8.031 1.00 0.95 H new ATOM 0 HD21 ASN A 144 69.753 11.039 10.327 1.00 1.93 H new ATOM 0 HD22 ASN A 144 69.112 9.481 10.861 1.00 1.93 H new ATOM 923 N ASP A 145 68.933 10.965 4.207 1.00 0.75 N ATOM 924 CA ASP A 145 69.276 11.870 3.072 1.00 0.78 C ATOM 925 C ASP A 145 68.003 12.309 2.341 1.00 0.74 C ATOM 926 O ASP A 145 68.030 13.188 1.503 1.00 0.81 O ATOM 927 CB ASP A 145 70.165 11.034 2.151 1.00 0.76 C ATOM 928 CG ASP A 145 69.314 9.992 1.424 1.00 1.12 C ATOM 929 OD1 ASP A 145 69.029 8.967 2.022 1.00 1.72 O ATOM 930 OD2 ASP A 145 68.960 10.236 0.283 1.00 1.85 O ATOM 0 H ASP A 145 68.524 10.069 3.940 1.00 0.75 H new ATOM 0 HA ASP A 145 69.778 12.778 3.406 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.665 11.679 1.428 1.00 0.76 H new ATOM 0 HB3 ASP A 145 70.945 10.541 2.731 1.00 0.76 H new ATOM 935 N GLY A 146 66.890 11.703 2.652 1.00 0.69 N ATOM 936 CA GLY A 146 65.619 12.087 1.976 1.00 0.70 C ATOM 937 C GLY A 146 65.240 11.021 0.948 1.00 0.58 C ATOM 938 O GLY A 146 64.156 11.033 0.399 1.00 0.62 O ATOM 0 H GLY A 146 66.806 10.959 3.345 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.823 12.195 2.712 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.734 13.054 1.486 1.00 0.70 H new ATOM 942 N ARG A 147 66.122 10.096 0.680 1.00 0.54 N ATOM 943 CA ARG A 147 65.806 9.033 -0.316 1.00 0.49 C ATOM 944 C ARG A 147 66.276 7.668 0.192 1.00 0.44 C ATOM 945 O ARG A 147 66.861 7.554 1.250 1.00 0.56 O ATOM 946 CB ARG A 147 66.578 9.428 -1.575 1.00 0.57 C ATOM 947 CG ARG A 147 65.839 10.555 -2.296 1.00 0.78 C ATOM 948 CD ARG A 147 66.831 11.662 -2.661 1.00 0.73 C ATOM 949 NE ARG A 147 66.034 12.918 -2.625 1.00 1.07 N ATOM 950 CZ ARG A 147 66.394 13.940 -3.349 1.00 1.60 C ATOM 951 NH1 ARG A 147 67.620 14.031 -3.788 1.00 2.32 N ATOM 952 NH2 ARG A 147 65.528 14.872 -3.638 1.00 2.22 N ATOM 0 H ARG A 147 67.046 10.031 1.107 1.00 0.54 H new ATOM 0 HA ARG A 147 64.735 8.950 -0.501 1.00 0.49 H new ATOM 0 HB2 ARG A 147 67.585 9.751 -1.310 1.00 0.57 H new ATOM 0 HB3 ARG A 147 66.682 8.567 -2.235 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.358 10.172 -3.196 1.00 0.78 H new ATOM 0 HG3 ARG A 147 65.050 10.954 -1.658 1.00 0.78 H new ATOM 0 HD2 ARG A 147 67.659 11.699 -1.953 1.00 0.73 H new ATOM 0 HD3 ARG A 147 67.262 11.496 -3.648 1.00 0.73 H new ATOM 0 HE ARG A 147 65.205 12.979 -2.033 1.00 1.07 H new ATOM 0 HH11 ARG A 147 68.297 13.302 -3.564 1.00 2.32 H new ATOM 0 HH12 ARG A 147 67.901 14.831 -4.355 1.00 2.32 H new ATOM 0 HH21 ARG A 147 64.569 14.801 -3.297 1.00 2.22 H new ATOM 0 HH22 ARG A 147 65.810 15.672 -4.205 1.00 2.22 H new ATOM 966 N ILE A 148 66.021 6.632 -0.559 1.00 0.35 N ATOM 967 CA ILE A 148 66.448 5.270 -0.126 1.00 0.36 C ATOM 968 C ILE A 148 67.012 4.493 -1.322 1.00 0.40 C ATOM 969 O ILE A 148 66.411 4.437 -2.377 1.00 0.41 O ATOM 970 CB ILE A 148 65.168 4.618 0.411 1.00 0.35 C ATOM 971 CG1 ILE A 148 64.985 5.006 1.880 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.261 3.093 0.299 1.00 0.43 C ATOM 973 CD1 ILE A 148 63.792 4.249 2.467 1.00 0.40 C ATOM 0 H ILE A 148 65.535 6.669 -1.455 1.00 0.35 H new ATOM 0 HA ILE A 148 67.236 5.290 0.627 1.00 0.36 H new ATOM 0 HB ILE A 148 64.318 4.965 -0.177 1.00 0.35 H new ATOM 0 HG12 ILE A 148 65.889 4.773 2.443 1.00 0.40 H new ATOM 0 HG13 ILE A 148 64.824 6.081 1.965 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.346 2.643 0.684 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.392 2.812 -0.746 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.112 2.737 0.879 1.00 0.43 H new ATOM 0 HD11 ILE A 148 63.664 4.527 3.513 1.00 0.40 H new ATOM 0 HD12 ILE A 148 62.890 4.504 1.911 1.00 0.40 H new ATOM 0 HD13 ILE A 148 63.971 3.176 2.396 1.00 0.40 H new ATOM 985 N ASP A 149 68.162 3.895 -1.168 1.00 0.47 N ATOM 986 CA ASP A 149 68.759 3.127 -2.300 1.00 0.55 C ATOM 987 C ASP A 149 68.790 1.628 -1.979 1.00 0.58 C ATOM 988 O ASP A 149 68.094 1.156 -1.103 1.00 0.54 O ATOM 989 CB ASP A 149 70.176 3.684 -2.459 1.00 0.65 C ATOM 990 CG ASP A 149 71.045 3.242 -1.279 1.00 1.32 C ATOM 991 OD1 ASP A 149 70.681 3.543 -0.154 1.00 2.16 O ATOM 992 OD2 ASP A 149 72.062 2.613 -1.521 1.00 2.00 O ATOM 0 H ASP A 149 68.713 3.904 -0.310 1.00 0.47 H new ATOM 0 HA ASP A 149 68.179 3.232 -3.217 1.00 0.55 H new ATOM 0 HB2 ASP A 149 70.611 3.332 -3.394 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.145 4.772 -2.511 1.00 0.65 H new ATOM 997 N TYR A 150 69.582 0.877 -2.696 1.00 0.67 N ATOM 998 CA TYR A 150 69.652 -0.596 -2.452 1.00 0.73 C ATOM 999 C TYR A 150 70.342 -0.905 -1.118 1.00 0.75 C ATOM 1000 O TYR A 150 70.483 -2.050 -0.738 1.00 0.76 O ATOM 1001 CB TYR A 150 70.475 -1.145 -3.618 1.00 0.84 C ATOM 1002 CG TYR A 150 69.781 -2.352 -4.204 1.00 0.97 C ATOM 1003 CD1 TYR A 150 70.056 -3.629 -3.699 1.00 1.63 C ATOM 1004 CD2 TYR A 150 68.866 -2.195 -5.251 1.00 1.74 C ATOM 1005 CE1 TYR A 150 69.415 -4.750 -4.242 1.00 2.06 C ATOM 1006 CE2 TYR A 150 68.225 -3.316 -5.794 1.00 2.14 C ATOM 1007 CZ TYR A 150 68.499 -4.593 -5.290 1.00 2.02 C ATOM 1008 OH TYR A 150 67.868 -5.697 -5.825 1.00 2.63 O ATOM 0 H TYR A 150 70.186 1.220 -3.443 1.00 0.67 H new ATOM 0 HA TYR A 150 68.660 -1.044 -2.393 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.599 -0.378 -4.382 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.473 -1.418 -3.275 1.00 0.84 H new ATOM 0 HD1 TYR A 150 70.762 -3.750 -2.891 1.00 1.63 H new ATOM 0 HD2 TYR A 150 68.654 -1.210 -5.640 1.00 1.74 H new ATOM 0 HE1 TYR A 150 69.627 -5.735 -3.853 1.00 2.06 H new ATOM 0 HE2 TYR A 150 67.519 -3.195 -6.602 1.00 2.14 H new ATOM 0 HH TYR A 150 67.264 -5.413 -6.542 1.00 2.63 H new ATOM 1018 N ASP A 151 70.774 0.097 -0.404 1.00 0.78 N ATOM 1019 CA ASP A 151 71.452 -0.161 0.900 1.00 0.82 C ATOM 1020 C ASP A 151 70.515 0.179 2.062 1.00 0.74 C ATOM 1021 O ASP A 151 70.238 -0.646 2.911 1.00 0.76 O ATOM 1022 CB ASP A 151 72.671 0.762 0.903 1.00 0.87 C ATOM 1023 CG ASP A 151 73.879 0.010 0.339 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.686 -1.082 -0.170 1.00 1.67 O ATOM 1025 OD2 ASP A 151 74.975 0.539 0.428 1.00 2.08 O ATOM 0 H ASP A 151 70.688 1.080 -0.664 1.00 0.78 H new ATOM 0 HA ASP A 151 71.734 -1.207 1.018 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.470 1.650 0.304 1.00 0.87 H new ATOM 0 HB3 ASP A 151 72.881 1.102 1.917 1.00 0.87 H new ATOM 1030 N GLU A 152 70.026 1.388 2.108 1.00 0.67 N ATOM 1031 CA GLU A 152 69.109 1.781 3.216 1.00 0.61 C ATOM 1032 C GLU A 152 67.756 1.080 3.058 1.00 0.58 C ATOM 1033 O GLU A 152 67.007 0.936 4.004 1.00 0.58 O ATOM 1034 CB GLU A 152 68.947 3.295 3.078 1.00 0.59 C ATOM 1035 CG GLU A 152 70.327 3.955 3.029 1.00 0.76 C ATOM 1036 CD GLU A 152 70.283 5.162 2.090 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.455 5.162 1.195 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.081 6.065 2.282 1.00 1.20 O ATOM 0 H GLU A 152 70.222 2.121 1.426 1.00 0.67 H new ATOM 0 HA GLU A 152 69.500 1.500 4.194 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.388 3.530 2.173 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.374 3.688 3.918 1.00 0.59 H new ATOM 0 HG2 GLU A 152 70.627 4.269 4.029 1.00 0.76 H new ATOM 0 HG3 GLU A 152 71.072 3.239 2.683 1.00 0.76 H new ATOM 1045 N PHE A 153 67.439 0.644 1.870 1.00 0.60 N ATOM 1046 CA PHE A 153 66.134 -0.045 1.652 1.00 0.61 C ATOM 1047 C PHE A 153 66.187 -1.471 2.207 1.00 0.66 C ATOM 1048 O PHE A 153 65.203 -1.997 2.689 1.00 0.71 O ATOM 1049 CB PHE A 153 65.951 -0.072 0.135 1.00 0.64 C ATOM 1050 CG PHE A 153 64.627 -0.717 -0.199 1.00 0.68 C ATOM 1051 CD1 PHE A 153 63.451 0.042 -0.174 1.00 1.18 C ATOM 1052 CD2 PHE A 153 64.576 -2.075 -0.536 1.00 1.47 C ATOM 1053 CE1 PHE A 153 62.224 -0.557 -0.485 1.00 1.24 C ATOM 1054 CE2 PHE A 153 63.351 -2.674 -0.846 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.174 -1.915 -0.821 1.00 0.93 C ATOM 0 H PHE A 153 68.026 0.735 1.041 1.00 0.60 H new ATOM 0 HA PHE A 153 65.311 0.462 2.156 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.985 0.942 -0.265 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.766 -0.626 -0.331 1.00 0.64 H new ATOM 0 HD1 PHE A 153 63.490 1.090 0.085 1.00 1.18 H new ATOM 0 HD2 PHE A 153 65.483 -2.660 -0.557 1.00 1.47 H new ATOM 0 HE1 PHE A 153 61.317 0.028 -0.466 1.00 1.24 H new ATOM 0 HE2 PHE A 153 63.312 -3.722 -1.105 1.00 1.55 H new ATOM 0 HZ PHE A 153 61.228 -2.377 -1.061 1.00 0.93 H new ATOM 1065 N LEU A 154 67.326 -2.102 2.137 1.00 0.72 N ATOM 1066 CA LEU A 154 67.441 -3.497 2.654 1.00 0.80 C ATOM 1067 C LEU A 154 67.147 -3.537 4.156 1.00 0.79 C ATOM 1068 O LEU A 154 66.358 -4.335 4.621 1.00 0.82 O ATOM 1069 CB LEU A 154 68.890 -3.904 2.379 1.00 0.92 C ATOM 1070 CG LEU A 154 68.928 -4.917 1.234 1.00 0.85 C ATOM 1071 CD1 LEU A 154 67.969 -6.069 1.539 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.503 -4.231 -0.066 1.00 1.54 C ATOM 0 H LEU A 154 68.183 -1.713 1.744 1.00 0.72 H new ATOM 0 HA LEU A 154 66.730 -4.171 2.177 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.483 -3.026 2.122 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.334 -4.336 3.276 1.00 0.92 H new ATOM 0 HG LEU A 154 69.940 -5.306 1.127 1.00 0.85 H new ATOM 0 HD11 LEU A 154 67.996 -6.791 0.723 1.00 1.74 H new ATOM 0 HD12 LEU A 154 68.270 -6.558 2.466 1.00 1.74 H new ATOM 0 HD13 LEU A 154 66.956 -5.681 1.646 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.530 -4.952 -0.883 1.00 1.54 H new ATOM 0 HD22 LEU A 154 67.491 -3.842 0.042 1.00 1.54 H new ATOM 0 HD23 LEU A 154 69.186 -3.410 -0.284 1.00 1.54 H new ATOM 1084 N GLU A 155 67.777 -2.688 4.919 1.00 0.79 N ATOM 1085 CA GLU A 155 67.531 -2.686 6.390 1.00 0.82 C ATOM 1086 C GLU A 155 66.136 -2.129 6.694 1.00 0.81 C ATOM 1087 O GLU A 155 65.421 -2.642 7.531 1.00 0.90 O ATOM 1088 CB GLU A 155 68.610 -1.772 6.971 1.00 0.85 C ATOM 1089 CG GLU A 155 68.896 -2.178 8.419 1.00 0.95 C ATOM 1090 CD GLU A 155 69.462 -3.598 8.449 1.00 1.67 C ATOM 1091 OE1 GLU A 155 69.712 -4.138 7.384 1.00 2.27 O ATOM 1092 OE2 GLU A 155 69.635 -4.124 9.537 1.00 2.47 O ATOM 0 H GLU A 155 68.450 -1.996 4.590 1.00 0.79 H new ATOM 0 HA GLU A 155 67.572 -3.688 6.816 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.520 -1.842 6.376 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.282 -0.733 6.931 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.605 -1.483 8.869 1.00 0.95 H new ATOM 0 HG3 GLU A 155 67.981 -2.127 9.009 1.00 0.95 H new ATOM 1099 N PHE A 156 65.746 -1.083 6.019 1.00 0.75 N ATOM 1100 CA PHE A 156 64.399 -0.494 6.270 1.00 0.78 C ATOM 1101 C PHE A 156 63.349 -1.602 6.410 1.00 0.84 C ATOM 1102 O PHE A 156 62.697 -1.725 7.427 1.00 0.90 O ATOM 1103 CB PHE A 156 64.111 0.371 5.040 1.00 0.78 C ATOM 1104 CG PHE A 156 62.724 0.962 5.142 1.00 0.85 C ATOM 1105 CD1 PHE A 156 62.106 1.100 6.391 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.055 1.374 3.983 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.822 1.649 6.482 1.00 1.77 C ATOM 1108 CE2 PHE A 156 60.770 1.924 4.073 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.154 2.061 5.323 1.00 1.10 C ATOM 0 H PHE A 156 66.301 -0.611 5.305 1.00 0.75 H new ATOM 0 HA PHE A 156 64.367 0.085 7.193 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.851 1.168 4.963 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.194 -0.230 4.134 1.00 0.78 H new ATOM 0 HD1 PHE A 156 62.621 0.782 7.285 1.00 1.66 H new ATOM 0 HD2 PHE A 156 62.530 1.268 3.019 1.00 1.27 H new ATOM 0 HE1 PHE A 156 60.347 1.755 7.446 1.00 1.77 H new ATOM 0 HE2 PHE A 156 60.255 2.242 3.179 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.163 2.485 5.393 1.00 1.10 H new ATOM 1119 N MET A 157 63.180 -2.406 5.397 1.00 0.86 N ATOM 1120 CA MET A 157 62.170 -3.501 5.475 1.00 0.95 C ATOM 1121 C MET A 157 62.540 -4.489 6.586 1.00 0.99 C ATOM 1122 O MET A 157 61.682 -5.078 7.214 1.00 1.12 O ATOM 1123 CB MET A 157 62.221 -4.184 4.109 1.00 0.99 C ATOM 1124 CG MET A 157 61.686 -3.226 3.042 1.00 1.28 C ATOM 1125 SD MET A 157 60.154 -3.891 2.346 1.00 1.48 S ATOM 1126 CE MET A 157 59.552 -2.348 1.615 1.00 1.12 C ATOM 0 H MET A 157 63.697 -2.353 4.519 1.00 0.86 H new ATOM 0 HA MET A 157 61.173 -3.126 5.707 1.00 0.95 H new ATOM 0 HB2 MET A 157 63.245 -4.474 3.873 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.627 -5.098 4.124 1.00 0.99 H new ATOM 0 HG2 MET A 157 61.503 -2.244 3.479 1.00 1.28 H new ATOM 0 HG3 MET A 157 62.427 -3.092 2.254 1.00 1.28 H new ATOM 0 HE1 MET A 157 58.682 -1.997 2.171 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.338 -1.594 1.658 1.00 1.12 H new ATOM 0 HE3 MET A 157 59.272 -2.522 0.576 1.00 1.12 H new ATOM 1136 N LYS A 158 63.808 -4.677 6.833 1.00 0.94 N ATOM 1137 CA LYS A 158 64.225 -5.630 7.901 1.00 1.02 C ATOM 1138 C LYS A 158 63.500 -5.308 9.212 1.00 1.05 C ATOM 1139 O LYS A 158 62.903 -6.167 9.828 1.00 1.20 O ATOM 1140 CB LYS A 158 65.732 -5.416 8.055 1.00 1.07 C ATOM 1141 CG LYS A 158 66.390 -6.722 8.506 1.00 1.26 C ATOM 1142 CD LYS A 158 66.672 -7.601 7.285 1.00 1.53 C ATOM 1143 CE LYS A 158 68.147 -7.474 6.895 1.00 1.45 C ATOM 1144 NZ LYS A 158 68.436 -8.692 6.088 1.00 2.07 N ATOM 0 H LYS A 158 64.572 -4.213 6.342 1.00 0.94 H new ATOM 0 HA LYS A 158 63.983 -6.663 7.651 1.00 1.02 H new ATOM 0 HB2 LYS A 158 66.162 -5.088 7.109 1.00 1.07 H new ATOM 0 HB3 LYS A 158 65.926 -4.628 8.783 1.00 1.07 H new ATOM 0 HG2 LYS A 158 67.318 -6.509 9.036 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.738 -7.248 9.203 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.432 -8.640 7.509 1.00 1.53 H new ATOM 0 HD3 LYS A 158 66.037 -7.299 6.452 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.327 -6.566 6.319 1.00 1.45 H new ATOM 0 HE3 LYS A 158 68.786 -7.423 7.777 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 69.430 -8.678 5.783 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 68.262 -9.540 6.665 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 67.817 -8.709 5.252 1.00 2.07 H new ATOM 1158 N GLY A 159 63.546 -4.076 9.639 1.00 1.04 N ATOM 1159 CA GLY A 159 62.857 -3.702 10.907 1.00 1.14 C ATOM 1160 C GLY A 159 61.367 -3.490 10.634 1.00 1.14 C ATOM 1161 O GLY A 159 60.542 -3.590 11.520 1.00 1.38 O ATOM 0 H GLY A 159 64.030 -3.313 9.166 1.00 1.04 H new ATOM 0 HA2 GLY A 159 62.993 -4.486 11.652 1.00 1.14 H new ATOM 0 HA3 GLY A 159 63.296 -2.792 11.317 1.00 1.14 H new ATOM 1165 N VAL A 160 61.016 -3.198 9.411 1.00 1.42 N ATOM 1166 CA VAL A 160 59.581 -2.982 9.077 1.00 1.48 C ATOM 1167 C VAL A 160 58.935 -4.306 8.657 1.00 1.88 C ATOM 1168 O VAL A 160 59.603 -5.302 8.462 1.00 2.37 O ATOM 1169 CB VAL A 160 59.601 -1.979 7.916 1.00 1.32 C ATOM 1170 CG1 VAL A 160 58.332 -2.121 7.069 1.00 1.35 C ATOM 1171 CG2 VAL A 160 59.676 -0.557 8.478 1.00 1.49 C ATOM 0 H VAL A 160 61.663 -3.100 8.628 1.00 1.42 H new ATOM 0 HA VAL A 160 59.000 -2.610 9.921 1.00 1.48 H new ATOM 0 HB VAL A 160 60.470 -2.179 7.290 1.00 1.32 H new ATOM 0 HG11 VAL A 160 58.360 -1.403 6.249 1.00 1.35 H new ATOM 0 HG12 VAL A 160 58.275 -3.132 6.665 1.00 1.35 H new ATOM 0 HG13 VAL A 160 57.457 -1.929 7.690 1.00 1.35 H new ATOM 0 HG21 VAL A 160 59.690 0.159 7.656 1.00 1.49 H new ATOM 0 HG22 VAL A 160 58.807 -0.368 9.108 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.584 -0.447 9.071 1.00 1.49 H new ATOM 1181 N GLU A 161 57.638 -4.322 8.517 1.00 2.17 N ATOM 1182 CA GLU A 161 56.944 -5.577 8.111 1.00 2.67 C ATOM 1183 C GLU A 161 56.528 -5.498 6.639 1.00 3.21 C ATOM 1184 O GLU A 161 56.937 -6.362 5.882 1.00 3.74 O ATOM 1185 CB GLU A 161 55.712 -5.658 9.013 1.00 3.19 C ATOM 1186 CG GLU A 161 55.762 -6.948 9.833 1.00 3.64 C ATOM 1187 CD GLU A 161 54.392 -7.625 9.805 1.00 4.40 C ATOM 1188 OE1 GLU A 161 53.523 -7.190 10.543 1.00 5.03 O ATOM 1189 OE2 GLU A 161 54.233 -8.567 9.045 1.00 4.73 O ATOM 1190 OXT GLU A 161 55.808 -4.575 6.297 1.00 3.58 O ATOM 0 H GLU A 161 57.028 -3.519 8.667 1.00 2.17 H new ATOM 0 HA GLU A 161 57.582 -6.454 8.214 1.00 2.67 H new ATOM 0 HB2 GLU A 161 55.677 -4.794 9.677 1.00 3.19 H new ATOM 0 HB3 GLU A 161 54.805 -5.633 8.410 1.00 3.19 H new ATOM 0 HG2 GLU A 161 56.519 -7.619 9.428 1.00 3.64 H new ATOM 0 HG3 GLU A 161 56.049 -6.727 10.861 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.108 7.618 -7.257 1.00 0.50 CA HETATM 1199 CA CA A 2 68.624 7.083 2.892 1.00 0.74 CA