USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 867 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 101 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.1) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -143:sc= -0.19 (180deg=-1.01) USER MOD Set 2.2: A 25 HIS : no HD1:sc= -5.15 K(o=-5.3,f=-8.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.5!) USER MOD Single : A 7 GLN : amide:sc=-0.00396 X(o=-0.004,f=-0.004) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.151) USER MOD Single : A 10 TYR OH : rot -140:sc= 0.0804 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.439 USER MOD Single : A 20 MET CE :methyl 146:sc=-0.00134 (180deg=-0.199) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 152:sc= -4.04 (180deg=-6.42!) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0.428 (180deg=0.277) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -176:sc= -0.909 USER MOD Single : A 43 ASN :FLIP amide:sc= 0.97 F(o=-0.41,f=0.97) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 53 HIS : no HE2:sc= -0.559 K(o=-0.56,f=-1.9) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 145:sc= 0.0268 USER MOD Single : A 69 SER OG : rot 68:sc= 1.14 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.91 K(o=-2.9,f=-7.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= -0.189 (180deg=-0.827) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0591 USER MOD Single : A 91 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.78) USER MOD Single : A 92 ASN : amide:sc= -0.265 K(o=-0.27,f=-2.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00681 USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= 0.128 (180deg=0.0661) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= -0.0434 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.190 9.212 -7.996 1.00 0.00 N ATOM 2 CA MET A 1 -27.432 8.885 -9.426 1.00 0.00 C ATOM 3 C MET A 1 -26.243 9.291 -10.292 1.00 0.00 C ATOM 4 O MET A 1 -25.634 8.455 -10.958 1.00 0.00 O ATOM 5 CB MET A 1 -28.697 9.614 -9.885 1.00 0.00 C ATOM 6 CG MET A 1 -29.763 8.687 -10.446 1.00 0.00 C ATOM 7 SD MET A 1 -31.094 8.363 -9.274 1.00 0.00 S ATOM 8 CE MET A 1 -30.937 6.592 -9.062 1.00 0.00 C ATOM 0 H1 MET A 1 -28.014 8.925 -7.430 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.347 8.704 -7.662 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.040 10.236 -7.895 1.00 0.00 H new ATOM 0 HA MET A 1 -27.561 7.808 -9.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.114 10.166 -9.043 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.428 10.347 -10.645 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.181 9.127 -11.351 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.301 7.743 -10.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.695 6.241 -8.362 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.073 6.097 -10.023 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.947 6.359 -8.671 1.00 0.00 H new ATOM 20 N SER A 2 -25.920 10.579 -10.277 1.00 0.00 N ATOM 21 CA SER A 2 -24.804 11.096 -11.061 1.00 0.00 C ATOM 22 C SER A 2 -23.500 11.009 -10.274 1.00 0.00 C ATOM 23 O SER A 2 -23.414 11.481 -9.140 1.00 0.00 O ATOM 24 CB SER A 2 -25.072 12.546 -11.475 1.00 0.00 C ATOM 25 OG SER A 2 -25.318 12.643 -12.867 1.00 0.00 O ATOM 0 H SER A 2 -26.415 11.284 -9.731 1.00 0.00 H new ATOM 0 HA SER A 2 -24.706 10.483 -11.957 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.929 12.932 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.216 13.167 -11.210 1.00 0.00 H new ATOM 0 HG SER A 2 -25.488 13.578 -13.105 1.00 0.00 H new ATOM 31 N ARG A 3 -22.487 10.402 -10.883 1.00 0.00 N ATOM 32 CA ARG A 3 -21.185 10.251 -10.241 1.00 0.00 C ATOM 33 C ARG A 3 -21.301 9.419 -8.967 1.00 0.00 C ATOM 34 O ARG A 3 -21.797 9.893 -7.945 1.00 0.00 O ATOM 35 CB ARG A 3 -20.591 11.625 -9.918 1.00 0.00 C ATOM 36 CG ARG A 3 -19.500 12.059 -10.888 1.00 0.00 C ATOM 37 CD ARG A 3 -19.973 13.178 -11.804 1.00 0.00 C ATOM 38 NE ARG A 3 -19.927 12.791 -13.212 1.00 0.00 N ATOM 39 CZ ARG A 3 -20.547 13.457 -14.184 1.00 0.00 C ATOM 40 NH1 ARG A 3 -21.261 14.540 -13.906 1.00 0.00 N ATOM 41 NH2 ARG A 3 -20.454 13.036 -15.438 1.00 0.00 N ATOM 0 H ARG A 3 -22.542 10.006 -11.821 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.522 9.731 -10.933 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -21.389 12.368 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -20.182 11.607 -8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.627 12.392 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.187 11.205 -11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -20.993 13.457 -11.538 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.351 14.060 -11.650 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.389 11.962 -13.465 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -21.337 14.867 -12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -21.733 15.046 -14.655 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.908 12.203 -15.657 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.929 13.545 -16.183 1.00 0.00 H new ATOM 55 N SER A 4 -20.840 8.174 -9.037 1.00 0.00 N ATOM 56 CA SER A 4 -20.890 7.274 -7.891 1.00 0.00 C ATOM 57 C SER A 4 -20.092 6.003 -8.163 1.00 0.00 C ATOM 58 O SER A 4 -20.106 5.474 -9.274 1.00 0.00 O ATOM 59 CB SER A 4 -22.340 6.920 -7.557 1.00 0.00 C ATOM 60 OG SER A 4 -23.097 6.699 -8.735 1.00 0.00 O ATOM 0 H SER A 4 -20.428 7.766 -9.876 1.00 0.00 H new ATOM 0 HA SER A 4 -20.444 7.786 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.365 6.027 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.790 7.726 -6.978 1.00 0.00 H new ATOM 0 HG SER A 4 -24.019 6.473 -8.493 1.00 0.00 H new ATOM 66 N ASN A 5 -19.397 5.516 -7.139 1.00 0.00 N ATOM 67 CA ASN A 5 -18.592 4.307 -7.269 1.00 0.00 C ATOM 68 C ASN A 5 -19.247 3.137 -6.541 1.00 0.00 C ATOM 69 O ASN A 5 -19.974 3.326 -5.566 1.00 0.00 O ATOM 70 CB ASN A 5 -17.187 4.545 -6.715 1.00 0.00 C ATOM 71 CG ASN A 5 -16.227 5.052 -7.775 1.00 0.00 C ATOM 72 OD1 ASN A 5 -16.544 5.057 -8.964 1.00 0.00 O ATOM 73 ND2 ASN A 5 -15.046 5.482 -7.345 1.00 0.00 N ATOM 0 H ASN A 5 -19.375 5.940 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 5 -18.521 4.059 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -17.238 5.267 -5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.803 3.616 -6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.359 5.835 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -14.827 5.459 -6.349 1.00 0.00 H new ATOM 80 N ARG A 6 -18.980 1.926 -7.021 1.00 0.00 N ATOM 81 CA ARG A 6 -19.541 0.723 -6.418 1.00 0.00 C ATOM 82 C ARG A 6 -18.584 0.138 -5.385 1.00 0.00 C ATOM 83 O ARG A 6 -17.459 0.613 -5.226 1.00 0.00 O ATOM 84 CB ARG A 6 -19.846 -0.319 -7.496 1.00 0.00 C ATOM 85 CG ARG A 6 -21.052 -1.188 -7.180 1.00 0.00 C ATOM 86 CD ARG A 6 -21.637 -1.806 -8.440 1.00 0.00 C ATOM 87 NE ARG A 6 -22.578 -0.908 -9.105 1.00 0.00 N ATOM 88 CZ ARG A 6 -23.845 -0.748 -8.728 1.00 0.00 C ATOM 89 NH1 ARG A 6 -24.326 -1.423 -7.691 1.00 0.00 N ATOM 90 NH2 ARG A 6 -24.632 0.088 -9.389 1.00 0.00 N ATOM 0 H ARG A 6 -18.378 1.752 -7.826 1.00 0.00 H new ATOM 0 HA ARG A 6 -20.469 0.996 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.015 0.191 -8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.973 -0.958 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.762 -1.978 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.813 -0.589 -6.680 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.830 -2.059 -9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -22.143 -2.737 -8.186 1.00 0.00 H new ATOM 0 HE ARG A 6 -22.245 -0.372 -9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -23.724 -2.068 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -25.297 -1.297 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.267 0.609 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -25.603 0.211 -9.100 1.00 0.00 H new ATOM 104 N GLN A 7 -19.036 -0.899 -4.685 1.00 0.00 N ATOM 105 CA GLN A 7 -18.217 -1.549 -3.669 1.00 0.00 C ATOM 106 C GLN A 7 -17.462 -2.736 -4.259 1.00 0.00 C ATOM 107 O GLN A 7 -17.983 -3.850 -4.315 1.00 0.00 O ATOM 108 CB GLN A 7 -19.090 -2.009 -2.499 1.00 0.00 C ATOM 109 CG GLN A 7 -18.967 -1.128 -1.266 1.00 0.00 C ATOM 110 CD GLN A 7 -19.028 -1.922 0.025 1.00 0.00 C ATOM 111 OE1 GLN A 7 -19.902 -2.770 0.205 1.00 0.00 O ATOM 112 NE2 GLN A 7 -18.095 -1.650 0.931 1.00 0.00 N ATOM 0 H GLN A 7 -19.964 -1.306 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 7 -17.488 -0.825 -3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -20.132 -2.028 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -18.819 -3.031 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -18.026 -0.580 -1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -19.767 -0.388 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -17.390 -0.939 0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -18.084 -2.153 1.819 1.00 0.00 H new ATOM 121 N LYS A 8 -16.232 -2.489 -4.697 1.00 0.00 N ATOM 122 CA LYS A 8 -15.403 -3.536 -5.283 1.00 0.00 C ATOM 123 C LYS A 8 -14.495 -4.163 -4.231 1.00 0.00 C ATOM 124 O LYS A 8 -14.076 -3.500 -3.283 1.00 0.00 O ATOM 125 CB LYS A 8 -14.561 -2.964 -6.426 1.00 0.00 C ATOM 126 CG LYS A 8 -13.956 -4.028 -7.330 1.00 0.00 C ATOM 127 CD LYS A 8 -12.527 -3.682 -7.719 1.00 0.00 C ATOM 128 CE LYS A 8 -11.749 -4.919 -8.142 1.00 0.00 C ATOM 129 NZ LYS A 8 -12.511 -5.747 -9.116 1.00 0.00 N ATOM 0 H LYS A 8 -15.787 -1.572 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.061 -4.311 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.183 -2.300 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.759 -2.357 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.972 -4.992 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.564 -4.132 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.536 -2.960 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.025 -3.205 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.800 -4.617 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.513 -5.518 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.869 -6.428 -9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.266 -6.261 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.931 -5.131 -9.841 1.00 0.00 H new ATOM 143 N GLU A 9 -14.191 -5.445 -4.406 1.00 0.00 N ATOM 144 CA GLU A 9 -13.327 -6.161 -3.475 1.00 0.00 C ATOM 145 C GLU A 9 -11.886 -6.158 -3.972 1.00 0.00 C ATOM 146 O GLU A 9 -11.633 -6.314 -5.166 1.00 0.00 O ATOM 147 CB GLU A 9 -13.815 -7.600 -3.294 1.00 0.00 C ATOM 148 CG GLU A 9 -15.291 -7.702 -2.947 1.00 0.00 C ATOM 149 CD GLU A 9 -15.526 -8.023 -1.484 1.00 0.00 C ATOM 150 OE1 GLU A 9 -15.217 -9.160 -1.069 1.00 0.00 O ATOM 151 OE2 GLU A 9 -16.020 -7.139 -0.754 1.00 0.00 O ATOM 0 H GLU A 9 -14.531 -6.010 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.366 -5.652 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.627 -8.157 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.231 -8.077 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.784 -6.761 -3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.753 -8.474 -3.563 1.00 0.00 H new ATOM 158 N TYR A 10 -10.944 -5.983 -3.051 1.00 0.00 N ATOM 159 CA TYR A 10 -9.525 -5.960 -3.400 1.00 0.00 C ATOM 160 C TYR A 10 -8.797 -7.159 -2.800 1.00 0.00 C ATOM 161 O TYR A 10 -9.269 -7.764 -1.837 1.00 0.00 O ATOM 162 CB TYR A 10 -8.881 -4.661 -2.915 1.00 0.00 C ATOM 163 CG TYR A 10 -9.497 -3.422 -3.521 1.00 0.00 C ATOM 164 CD1 TYR A 10 -9.074 -2.947 -4.755 1.00 0.00 C ATOM 165 CD2 TYR A 10 -10.505 -2.731 -2.862 1.00 0.00 C ATOM 166 CE1 TYR A 10 -9.639 -1.817 -5.316 1.00 0.00 C ATOM 167 CE2 TYR A 10 -11.075 -1.600 -3.416 1.00 0.00 C ATOM 168 CZ TYR A 10 -10.638 -1.148 -4.643 1.00 0.00 C ATOM 169 OH TYR A 10 -11.203 -0.023 -5.199 1.00 0.00 O ATOM 0 H TYR A 10 -11.136 -5.855 -2.057 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.442 -6.015 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.965 -4.606 -1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.817 -4.681 -3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.291 -3.469 -5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.849 -3.083 -1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.299 -1.460 -6.277 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.858 -1.074 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.355 0.646 -4.500 1.00 0.00 H new ATOM 179 N LYS A 11 -7.649 -7.506 -3.375 1.00 0.00 N ATOM 180 CA LYS A 11 -6.871 -8.638 -2.893 1.00 0.00 C ATOM 181 C LYS A 11 -5.387 -8.293 -2.824 1.00 0.00 C ATOM 182 O LYS A 11 -4.924 -7.357 -3.476 1.00 0.00 O ATOM 183 CB LYS A 11 -7.083 -9.852 -3.801 1.00 0.00 C ATOM 184 CG LYS A 11 -8.207 -10.767 -3.341 1.00 0.00 C ATOM 185 CD LYS A 11 -7.670 -12.086 -2.806 1.00 0.00 C ATOM 186 CE LYS A 11 -8.604 -12.687 -1.768 1.00 0.00 C ATOM 187 NZ LYS A 11 -8.245 -14.096 -1.446 1.00 0.00 N ATOM 0 H LYS A 11 -7.240 -7.020 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.214 -8.879 -1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.298 -9.506 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.157 -10.425 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.789 -10.269 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.884 -10.960 -4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.540 -12.788 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.687 -11.927 -2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.570 -12.087 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.629 -12.649 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.906 -14.469 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.302 -14.675 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.276 -14.130 -1.070 1.00 0.00 H new ATOM 201 N CYS A 12 -4.646 -9.060 -2.029 1.00 0.00 N ATOM 202 CA CYS A 12 -3.212 -8.839 -1.863 1.00 0.00 C ATOM 203 C CYS A 12 -2.500 -8.782 -3.213 1.00 0.00 C ATOM 204 O CYS A 12 -2.607 -9.710 -4.016 1.00 0.00 O ATOM 205 CB CYS A 12 -2.603 -9.950 -1.006 1.00 0.00 C ATOM 206 SG CYS A 12 -3.332 -10.094 0.642 1.00 0.00 S ATOM 0 H CYS A 12 -5.016 -9.842 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.078 -7.879 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -2.718 -10.901 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.533 -9.770 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.753 -11.061 1.290 1.00 0.00 H new ATOM 212 N GLY A 13 -1.771 -7.695 -3.466 1.00 0.00 N ATOM 213 CA GLY A 13 -1.059 -7.557 -4.722 1.00 0.00 C ATOM 214 C GLY A 13 -1.718 -6.571 -5.666 1.00 0.00 C ATOM 215 O GLY A 13 -1.097 -6.111 -6.624 1.00 0.00 O ATOM 0 H GLY A 13 -1.663 -6.911 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.037 -7.234 -4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.996 -8.531 -5.207 1.00 0.00 H new ATOM 219 N ASP A 14 -2.977 -6.240 -5.396 1.00 0.00 N ATOM 220 CA ASP A 14 -3.717 -5.303 -6.233 1.00 0.00 C ATOM 221 C ASP A 14 -3.170 -3.886 -6.083 1.00 0.00 C ATOM 222 O ASP A 14 -2.911 -3.423 -4.972 1.00 0.00 O ATOM 223 CB ASP A 14 -5.204 -5.329 -5.871 1.00 0.00 C ATOM 224 CG ASP A 14 -6.086 -4.890 -7.023 1.00 0.00 C ATOM 225 OD1 ASP A 14 -6.032 -3.698 -7.392 1.00 0.00 O ATOM 226 OD2 ASP A 14 -6.831 -5.739 -7.556 1.00 0.00 O ATOM 0 H ASP A 14 -3.506 -6.607 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.596 -5.610 -7.272 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.484 -6.338 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.378 -4.678 -5.015 1.00 0.00 H new ATOM 231 N LEU A 15 -3.002 -3.198 -7.207 1.00 0.00 N ATOM 232 CA LEU A 15 -2.497 -1.831 -7.191 1.00 0.00 C ATOM 233 C LEU A 15 -3.654 -0.841 -7.135 1.00 0.00 C ATOM 234 O LEU A 15 -4.481 -0.781 -8.045 1.00 0.00 O ATOM 235 CB LEU A 15 -1.627 -1.564 -8.421 1.00 0.00 C ATOM 236 CG LEU A 15 -0.454 -2.528 -8.607 1.00 0.00 C ATOM 237 CD1 LEU A 15 0.351 -2.154 -9.841 1.00 0.00 C ATOM 238 CD2 LEU A 15 0.435 -2.533 -7.372 1.00 0.00 C ATOM 0 H LEU A 15 -3.207 -3.563 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.882 -1.701 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.257 -1.608 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.236 -0.549 -8.357 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.853 -3.533 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.182 -2.850 -9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.290 -2.202 -10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.739 -1.142 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.264 -3.225 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.826 -1.530 -7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.147 -2.848 -6.506 1.00 0.00 H new ATOM 250 N VAL A 16 -3.708 -0.073 -6.055 1.00 0.00 N ATOM 251 CA VAL A 16 -4.772 0.902 -5.875 1.00 0.00 C ATOM 252 C VAL A 16 -4.253 2.213 -5.296 1.00 0.00 C ATOM 253 O VAL A 16 -3.106 2.307 -4.861 1.00 0.00 O ATOM 254 CB VAL A 16 -5.877 0.354 -4.953 1.00 0.00 C ATOM 255 CG1 VAL A 16 -6.533 -0.867 -5.576 1.00 0.00 C ATOM 256 CG2 VAL A 16 -5.312 0.020 -3.579 1.00 0.00 C ATOM 0 H VAL A 16 -3.030 -0.107 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.183 1.095 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.637 1.126 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.311 -1.241 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.975 -0.594 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.784 -1.644 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.108 -0.366 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.531 -0.734 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.892 0.920 -3.130 1.00 0.00 H new ATOM 266 N PHE A 17 -5.131 3.208 -5.271 1.00 0.00 N ATOM 267 CA PHE A 17 -4.803 4.521 -4.726 1.00 0.00 C ATOM 268 C PHE A 17 -5.566 4.740 -3.423 1.00 0.00 C ATOM 269 O PHE A 17 -6.752 4.425 -3.337 1.00 0.00 O ATOM 270 CB PHE A 17 -5.161 5.611 -5.733 1.00 0.00 C ATOM 271 CG PHE A 17 -4.157 5.764 -6.835 1.00 0.00 C ATOM 272 CD1 PHE A 17 -2.842 6.077 -6.548 1.00 0.00 C ATOM 273 CD2 PHE A 17 -4.532 5.602 -8.157 1.00 0.00 C ATOM 274 CE1 PHE A 17 -1.917 6.226 -7.559 1.00 0.00 C ATOM 275 CE2 PHE A 17 -3.612 5.748 -9.173 1.00 0.00 C ATOM 276 CZ PHE A 17 -2.302 6.062 -8.874 1.00 0.00 C ATOM 0 H PHE A 17 -6.084 3.130 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.733 4.568 -4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.134 5.386 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.259 6.561 -5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.536 6.206 -5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.557 5.358 -8.395 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.892 6.471 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.916 5.617 -10.201 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.579 6.179 -9.668 1.00 0.00 H new ATOM 286 N ALA A 18 -4.888 5.267 -2.406 1.00 0.00 N ATOM 287 CA ALA A 18 -5.522 5.506 -1.114 1.00 0.00 C ATOM 288 C ALA A 18 -5.620 6.997 -0.798 1.00 0.00 C ATOM 289 O ALA A 18 -4.619 7.716 -0.803 1.00 0.00 O ATOM 290 CB ALA A 18 -4.757 4.782 -0.016 1.00 0.00 C ATOM 0 H ALA A 18 -3.905 5.535 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.538 5.114 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.238 4.966 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.753 3.711 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.731 5.149 0.015 1.00 0.00 H new ATOM 296 N LYS A 19 -6.839 7.450 -0.515 1.00 0.00 N ATOM 297 CA LYS A 19 -7.079 8.849 -0.188 1.00 0.00 C ATOM 298 C LYS A 19 -6.991 9.083 1.317 1.00 0.00 C ATOM 299 O LYS A 19 -7.565 8.336 2.109 1.00 0.00 O ATOM 300 CB LYS A 19 -8.450 9.288 -0.707 1.00 0.00 C ATOM 301 CG LYS A 19 -8.789 10.735 -0.388 1.00 0.00 C ATOM 302 CD LYS A 19 -7.855 11.697 -1.102 1.00 0.00 C ATOM 303 CE LYS A 19 -8.441 13.099 -1.165 1.00 0.00 C ATOM 304 NZ LYS A 19 -9.801 13.106 -1.774 1.00 0.00 N ATOM 0 H LYS A 19 -7.675 6.866 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.306 9.446 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.482 9.146 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.215 8.642 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.818 10.941 -0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.725 10.896 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.896 11.725 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.662 11.336 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.491 13.517 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.780 13.743 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.916 13.960 -2.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.919 12.262 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.519 13.101 -1.021 1.00 0.00 H new ATOM 318 N MET A 20 -6.270 10.130 1.699 1.00 0.00 N ATOM 319 CA MET A 20 -6.105 10.476 3.106 1.00 0.00 C ATOM 320 C MET A 20 -6.519 11.922 3.357 1.00 0.00 C ATOM 321 O MET A 20 -6.476 12.755 2.451 1.00 0.00 O ATOM 322 CB MET A 20 -4.654 10.261 3.541 1.00 0.00 C ATOM 323 CG MET A 20 -4.453 9.024 4.399 1.00 0.00 C ATOM 324 SD MET A 20 -3.178 9.249 5.654 1.00 0.00 S ATOM 325 CE MET A 20 -1.793 8.412 4.887 1.00 0.00 C ATOM 0 H MET A 20 -5.789 10.756 1.053 1.00 0.00 H new ATOM 0 HA MET A 20 -6.749 9.824 3.696 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.025 10.184 2.654 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.316 11.136 4.096 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.394 8.767 4.885 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.184 8.183 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.867 8.920 5.156 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.755 7.379 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.913 8.427 3.804 1.00 0.00 H new ATOM 335 N LYS A 21 -6.921 12.217 4.589 1.00 0.00 N ATOM 336 CA LYS A 21 -7.344 13.564 4.956 1.00 0.00 C ATOM 337 C LYS A 21 -6.173 14.540 4.895 1.00 0.00 C ATOM 338 O LYS A 21 -5.211 14.421 5.653 1.00 0.00 O ATOM 339 CB LYS A 21 -7.946 13.561 6.363 1.00 0.00 C ATOM 340 CG LYS A 21 -7.023 12.971 7.418 1.00 0.00 C ATOM 341 CD LYS A 21 -7.775 12.051 8.369 1.00 0.00 C ATOM 342 CE LYS A 21 -7.373 12.292 9.816 1.00 0.00 C ATOM 343 NZ LYS A 21 -7.728 11.142 10.693 1.00 0.00 N ATOM 0 H LYS A 21 -6.963 11.540 5.351 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.100 13.889 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.198 14.584 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.878 12.995 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.221 12.415 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.555 13.776 7.984 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.848 12.210 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.577 11.012 8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.299 12.470 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.864 13.193 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.437 11.348 11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.756 10.987 10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.239 10.287 10.359 1.00 0.00 H new ATOM 357 N GLY A 22 -6.261 15.507 3.986 1.00 0.00 N ATOM 358 CA GLY A 22 -5.202 16.487 3.843 1.00 0.00 C ATOM 359 C GLY A 22 -4.197 16.106 2.774 1.00 0.00 C ATOM 360 O GLY A 22 -3.489 16.964 2.247 1.00 0.00 O ATOM 0 H GLY A 22 -7.047 15.628 3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.638 17.455 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.687 16.602 4.797 1.00 0.00 H new ATOM 364 N TYR A 23 -4.131 14.815 2.455 1.00 0.00 N ATOM 365 CA TYR A 23 -3.199 14.319 1.440 1.00 0.00 C ATOM 366 C TYR A 23 -3.955 13.718 0.255 1.00 0.00 C ATOM 367 O TYR A 23 -5.053 13.184 0.414 1.00 0.00 O ATOM 368 CB TYR A 23 -2.261 13.270 2.049 1.00 0.00 C ATOM 369 CG TYR A 23 -1.867 13.560 3.482 1.00 0.00 C ATOM 370 CD1 TYR A 23 -1.341 14.795 3.842 1.00 0.00 C ATOM 371 CD2 TYR A 23 -2.027 12.603 4.476 1.00 0.00 C ATOM 372 CE1 TYR A 23 -0.984 15.066 5.148 1.00 0.00 C ATOM 373 CE2 TYR A 23 -1.675 12.867 5.785 1.00 0.00 C ATOM 374 CZ TYR A 23 -1.154 14.099 6.117 1.00 0.00 C ATOM 375 OH TYR A 23 -0.803 14.365 7.420 1.00 0.00 O ATOM 0 H TYR A 23 -4.710 14.093 2.883 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.607 15.161 1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -2.745 12.294 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.359 13.206 1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.209 15.556 3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -2.434 11.636 4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.574 16.030 5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.807 12.111 6.545 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.987 13.579 7.975 1.00 0.00 H new ATOM 385 N PRO A 24 -3.381 13.812 -0.959 1.00 0.00 N ATOM 386 CA PRO A 24 -4.006 13.285 -2.173 1.00 0.00 C ATOM 387 C PRO A 24 -3.848 11.774 -2.309 1.00 0.00 C ATOM 388 O PRO A 24 -3.035 11.158 -1.620 1.00 0.00 O ATOM 389 CB PRO A 24 -3.248 14.002 -3.287 1.00 0.00 C ATOM 390 CG PRO A 24 -1.889 14.235 -2.722 1.00 0.00 C ATOM 391 CD PRO A 24 -2.080 14.451 -1.242 1.00 0.00 C ATOM 0 HA PRO A 24 -5.083 13.454 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.203 13.395 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.732 14.941 -3.557 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.238 13.381 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.419 15.103 -3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.276 13.995 -0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.092 15.512 -0.991 1.00 0.00 H new ATOM 399 N HIS A 25 -4.614 11.189 -3.227 1.00 0.00 N ATOM 400 CA HIS A 25 -4.554 9.751 -3.484 1.00 0.00 C ATOM 401 C HIS A 25 -3.108 9.313 -3.726 1.00 0.00 C ATOM 402 O HIS A 25 -2.483 9.734 -4.696 1.00 0.00 O ATOM 403 CB HIS A 25 -5.419 9.409 -4.699 1.00 0.00 C ATOM 404 CG HIS A 25 -6.863 9.761 -4.517 1.00 0.00 C ATOM 405 ND1 HIS A 25 -7.347 11.047 -4.645 1.00 0.00 N ATOM 406 CD2 HIS A 25 -7.930 8.989 -4.199 1.00 0.00 C ATOM 407 CE1 HIS A 25 -8.648 11.051 -4.412 1.00 0.00 C ATOM 408 NE2 HIS A 25 -9.024 9.816 -4.140 1.00 0.00 N ATOM 0 H HIS A 25 -5.286 11.690 -3.808 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.934 9.219 -2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.031 9.935 -5.572 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.336 8.342 -4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -7.921 7.923 -4.025 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -9.293 11.917 -4.440 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.976 9.522 -3.921 1.00 0.00 H new ATOM 417 N TRP A 26 -2.578 8.483 -2.832 1.00 0.00 N ATOM 418 CA TRP A 26 -1.197 8.012 -2.938 1.00 0.00 C ATOM 419 C TRP A 26 -1.114 6.610 -3.541 1.00 0.00 C ATOM 420 O TRP A 26 -1.847 5.710 -3.130 1.00 0.00 O ATOM 421 CB TRP A 26 -0.556 8.008 -1.549 1.00 0.00 C ATOM 422 CG TRP A 26 0.918 8.287 -1.544 1.00 0.00 C ATOM 423 CD1 TRP A 26 1.924 7.413 -1.846 1.00 0.00 C ATOM 424 CD2 TRP A 26 1.552 9.525 -1.201 1.00 0.00 C ATOM 425 NE1 TRP A 26 3.144 8.032 -1.704 1.00 0.00 N ATOM 426 CE2 TRP A 26 2.940 9.328 -1.311 1.00 0.00 C ATOM 427 CE3 TRP A 26 1.079 10.781 -0.811 1.00 0.00 C ATOM 428 CZ2 TRP A 26 3.857 10.344 -1.042 1.00 0.00 C ATOM 429 CZ3 TRP A 26 1.986 11.782 -0.547 1.00 0.00 C ATOM 430 CH2 TRP A 26 3.357 11.561 -0.663 1.00 0.00 C ATOM 0 H TRP A 26 -3.084 8.121 -2.024 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.663 8.691 -3.603 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -1.056 8.753 -0.930 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -0.731 7.038 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP A 26 1.782 6.387 -2.151 1.00 0.00 H new ATOM 0 HE1 TRP A 26 4.052 7.597 -1.865 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.019 10.963 -0.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 4.920 10.177 -1.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.629 12.755 -0.245 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.041 12.369 -0.449 1.00 0.00 H new ATOM 441 N PRO A 27 -0.191 6.388 -4.500 1.00 0.00 N ATOM 442 CA PRO A 27 -0.008 5.071 -5.117 1.00 0.00 C ATOM 443 C PRO A 27 0.234 4.008 -4.055 1.00 0.00 C ATOM 444 O PRO A 27 1.176 4.115 -3.269 1.00 0.00 O ATOM 445 CB PRO A 27 1.238 5.240 -5.994 1.00 0.00 C ATOM 446 CG PRO A 27 1.373 6.710 -6.218 1.00 0.00 C ATOM 447 CD PRO A 27 0.760 7.387 -5.022 1.00 0.00 C ATOM 0 HA PRO A 27 -0.883 4.750 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.122 4.835 -5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.128 4.708 -6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.421 6.990 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.866 7.010 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.514 7.647 -4.279 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.255 8.312 -5.301 1.00 0.00 H new ATOM 455 N ALA A 28 -0.626 2.999 -4.010 1.00 0.00 N ATOM 456 CA ALA A 28 -0.492 1.959 -3.000 1.00 0.00 C ATOM 457 C ALA A 28 -0.895 0.580 -3.512 1.00 0.00 C ATOM 458 O ALA A 28 -1.383 0.430 -4.633 1.00 0.00 O ATOM 459 CB ALA A 28 -1.323 2.339 -1.787 1.00 0.00 C ATOM 0 H ALA A 28 -1.411 2.879 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 28 0.562 1.889 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.229 1.566 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.969 3.289 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.369 2.436 -2.078 1.00 0.00 H new ATOM 465 N ARG A 29 -0.688 -0.423 -2.662 1.00 0.00 N ATOM 466 CA ARG A 29 -1.021 -1.804 -2.989 1.00 0.00 C ATOM 467 C ARG A 29 -1.590 -2.527 -1.769 1.00 0.00 C ATOM 468 O ARG A 29 -1.327 -2.137 -0.631 1.00 0.00 O ATOM 469 CB ARG A 29 0.223 -2.539 -3.497 1.00 0.00 C ATOM 470 CG ARG A 29 -0.067 -3.931 -4.035 1.00 0.00 C ATOM 471 CD ARG A 29 1.211 -4.728 -4.242 1.00 0.00 C ATOM 472 NE ARG A 29 1.458 -5.657 -3.141 1.00 0.00 N ATOM 473 CZ ARG A 29 2.023 -6.854 -3.285 1.00 0.00 C ATOM 474 NH1 ARG A 29 2.422 -7.272 -4.482 1.00 0.00 N ATOM 475 NH2 ARG A 29 2.194 -7.637 -2.230 1.00 0.00 N ATOM 0 H ARG A 29 -0.287 -0.301 -1.732 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.779 -1.798 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.689 -1.945 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.946 -2.616 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.719 -4.461 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.604 -3.852 -4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.145 -5.283 -5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.054 -4.044 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 29 1.180 -5.370 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.296 -6.674 -5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.854 -8.190 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.893 -7.323 -1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.627 -8.554 -2.340 1.00 0.00 H new ATOM 489 N ILE A 30 -2.357 -3.589 -2.006 1.00 0.00 N ATOM 490 CA ILE A 30 -2.944 -4.368 -0.917 1.00 0.00 C ATOM 491 C ILE A 30 -1.945 -5.396 -0.394 1.00 0.00 C ATOM 492 O ILE A 30 -1.204 -6.004 -1.168 1.00 0.00 O ATOM 493 CB ILE A 30 -4.222 -5.100 -1.370 1.00 0.00 C ATOM 494 CG1 ILE A 30 -5.164 -4.130 -2.082 1.00 0.00 C ATOM 495 CG2 ILE A 30 -4.915 -5.743 -0.178 1.00 0.00 C ATOM 496 CD1 ILE A 30 -5.682 -3.026 -1.187 1.00 0.00 C ATOM 0 H ILE A 30 -2.586 -3.930 -2.940 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.202 -3.666 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.944 -5.887 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.642 -3.685 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.010 -4.687 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.816 -6.256 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.242 -6.461 0.290 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.184 -4.973 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.344 -2.375 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.232 -3.462 -0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.843 -2.444 -0.804 1.00 0.00 H new ATOM 508 N ASP A 31 -1.919 -5.580 0.923 1.00 0.00 N ATOM 509 CA ASP A 31 -0.996 -6.526 1.540 1.00 0.00 C ATOM 510 C ASP A 31 -1.721 -7.557 2.406 1.00 0.00 C ATOM 511 O ASP A 31 -1.164 -8.611 2.715 1.00 0.00 O ATOM 512 CB ASP A 31 0.041 -5.778 2.382 1.00 0.00 C ATOM 513 CG ASP A 31 1.341 -5.552 1.635 1.00 0.00 C ATOM 514 OD1 ASP A 31 1.560 -6.221 0.603 1.00 0.00 O ATOM 515 OD2 ASP A 31 2.142 -4.704 2.083 1.00 0.00 O ATOM 0 H ASP A 31 -2.524 -5.088 1.581 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.497 -7.064 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.370 -4.816 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.242 -6.344 3.292 1.00 0.00 H new ATOM 520 N GLU A 32 -2.958 -7.261 2.799 1.00 0.00 N ATOM 521 CA GLU A 32 -3.725 -8.181 3.632 1.00 0.00 C ATOM 522 C GLU A 32 -5.211 -7.839 3.608 1.00 0.00 C ATOM 523 O GLU A 32 -5.592 -6.687 3.408 1.00 0.00 O ATOM 524 CB GLU A 32 -3.208 -8.145 5.072 1.00 0.00 C ATOM 525 CG GLU A 32 -3.670 -9.320 5.917 1.00 0.00 C ATOM 526 CD GLU A 32 -2.520 -10.048 6.585 1.00 0.00 C ATOM 527 OE1 GLU A 32 -1.934 -9.488 7.534 1.00 0.00 O ATOM 528 OE2 GLU A 32 -2.205 -11.181 6.159 1.00 0.00 O ATOM 0 H GLU A 32 -3.446 -6.399 2.556 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.598 -9.185 3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.118 -8.126 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.536 -7.219 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.362 -8.964 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.222 -10.019 5.289 1.00 0.00 H new ATOM 535 N MET A 33 -6.044 -8.854 3.820 1.00 0.00 N ATOM 536 CA MET A 33 -7.490 -8.668 3.833 1.00 0.00 C ATOM 537 C MET A 33 -7.978 -8.331 5.240 1.00 0.00 C ATOM 538 O MET A 33 -7.303 -8.626 6.226 1.00 0.00 O ATOM 539 CB MET A 33 -8.193 -9.927 3.321 1.00 0.00 C ATOM 540 CG MET A 33 -7.602 -10.472 2.031 1.00 0.00 C ATOM 541 SD MET A 33 -8.346 -9.739 0.560 1.00 0.00 S ATOM 542 CE MET A 33 -7.780 -8.045 0.698 1.00 0.00 C ATOM 0 H MET A 33 -5.741 -9.814 3.985 1.00 0.00 H new ATOM 0 HA MET A 33 -7.733 -7.835 3.173 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.142 -10.699 4.089 1.00 0.00 H new ATOM 0 HB3 MET A 33 -9.248 -9.705 3.162 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.528 -10.286 2.021 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.738 -11.553 2.002 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.708 -7.603 -0.296 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.487 -7.473 1.299 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.800 -8.026 1.175 1.00 0.00 H new ATOM 552 N PRO A 34 -9.163 -7.708 5.354 1.00 0.00 N ATOM 553 CA PRO A 34 -9.737 -7.335 6.645 1.00 0.00 C ATOM 554 C PRO A 34 -10.454 -8.494 7.319 1.00 0.00 C ATOM 555 O PRO A 34 -11.535 -8.904 6.898 1.00 0.00 O ATOM 556 CB PRO A 34 -10.726 -6.237 6.269 1.00 0.00 C ATOM 557 CG PRO A 34 -11.191 -6.607 4.900 1.00 0.00 C ATOM 558 CD PRO A 34 -10.038 -7.314 4.231 1.00 0.00 C ATOM 0 HA PRO A 34 -8.977 -7.024 7.362 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -11.557 -6.194 6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.251 -5.256 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -12.066 -7.254 4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.482 -5.720 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.376 -8.182 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.519 -6.659 3.531 1.00 0.00 H new ATOM 566 N GLU A 35 -9.837 -9.015 8.372 1.00 0.00 N ATOM 567 CA GLU A 35 -10.408 -10.125 9.122 1.00 0.00 C ATOM 568 C GLU A 35 -11.820 -9.784 9.603 1.00 0.00 C ATOM 569 O GLU A 35 -12.793 -9.960 8.870 1.00 0.00 O ATOM 570 CB GLU A 35 -9.497 -10.495 10.302 1.00 0.00 C ATOM 571 CG GLU A 35 -8.849 -9.299 10.987 1.00 0.00 C ATOM 572 CD GLU A 35 -7.340 -9.289 10.842 1.00 0.00 C ATOM 573 OE1 GLU A 35 -6.692 -10.249 11.308 1.00 0.00 O ATOM 574 OE2 GLU A 35 -6.805 -8.320 10.263 1.00 0.00 O ATOM 0 H GLU A 35 -8.939 -8.685 8.726 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.481 -10.990 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.080 -11.049 11.037 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.714 -11.165 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.256 -8.380 10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.108 -9.307 12.046 1.00 0.00 H new ATOM 581 N ALA A 36 -11.926 -9.291 10.830 1.00 0.00 N ATOM 582 CA ALA A 36 -13.211 -8.920 11.405 1.00 0.00 C ATOM 583 C ALA A 36 -13.008 -8.259 12.761 1.00 0.00 C ATOM 584 O ALA A 36 -13.562 -7.198 13.046 1.00 0.00 O ATOM 585 CB ALA A 36 -14.106 -10.144 11.533 1.00 0.00 C ATOM 0 H ALA A 36 -11.130 -9.138 11.450 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.700 -8.206 10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.063 -9.851 11.964 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.270 -10.579 10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.627 -10.879 12.179 1.00 0.00 H new ATOM 591 N ALA A 37 -12.201 -8.910 13.591 1.00 0.00 N ATOM 592 CA ALA A 37 -11.895 -8.420 14.926 1.00 0.00 C ATOM 593 C ALA A 37 -10.965 -9.392 15.640 1.00 0.00 C ATOM 594 O ALA A 37 -11.406 -10.219 16.437 1.00 0.00 O ATOM 595 CB ALA A 37 -13.175 -8.218 15.725 1.00 0.00 C ATOM 0 H ALA A 37 -11.742 -9.790 13.356 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.391 -7.457 14.839 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.928 -7.851 16.721 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.810 -7.491 15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.705 -9.167 15.809 1.00 0.00 H new ATOM 601 N VAL A 38 -9.676 -9.300 15.334 1.00 0.00 N ATOM 602 CA VAL A 38 -8.685 -10.185 15.935 1.00 0.00 C ATOM 603 C VAL A 38 -7.341 -9.486 16.129 1.00 0.00 C ATOM 604 O VAL A 38 -6.328 -10.138 16.383 1.00 0.00 O ATOM 605 CB VAL A 38 -8.475 -11.445 15.071 1.00 0.00 C ATOM 606 CG1 VAL A 38 -9.637 -12.413 15.241 1.00 0.00 C ATOM 607 CG2 VAL A 38 -8.297 -11.067 13.605 1.00 0.00 C ATOM 0 H VAL A 38 -9.293 -8.623 14.674 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.074 -10.471 16.912 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.566 -11.943 15.407 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.469 -13.295 14.623 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.712 -12.711 16.287 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.563 -11.927 14.935 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.150 -11.970 13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.186 -10.543 13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.428 -10.418 13.500 1.00 0.00 H new ATOM 617 N LYS A 39 -7.334 -8.159 16.021 1.00 0.00 N ATOM 618 CA LYS A 39 -6.108 -7.390 16.198 1.00 0.00 C ATOM 619 C LYS A 39 -6.412 -5.904 16.367 1.00 0.00 C ATOM 620 O LYS A 39 -6.086 -5.308 17.395 1.00 0.00 O ATOM 621 CB LYS A 39 -5.158 -7.605 15.015 1.00 0.00 C ATOM 622 CG LYS A 39 -5.847 -7.611 13.657 1.00 0.00 C ATOM 623 CD LYS A 39 -5.483 -6.381 12.840 1.00 0.00 C ATOM 624 CE LYS A 39 -4.149 -6.553 12.130 1.00 0.00 C ATOM 625 NZ LYS A 39 -4.307 -6.573 10.649 1.00 0.00 N ATOM 0 H LYS A 39 -8.160 -7.598 15.813 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.621 -7.745 17.106 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.402 -6.820 15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.636 -8.552 15.150 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.564 -8.510 13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.927 -7.649 13.796 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.264 -6.188 12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.438 -5.510 13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.480 -5.740 12.413 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.680 -7.481 12.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.458 -6.987 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.139 -7.144 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.435 -5.602 10.300 1.00 0.00 H new ATOM 639 N SER A 40 -7.035 -5.309 15.354 1.00 0.00 N ATOM 640 CA SER A 40 -7.383 -3.891 15.386 1.00 0.00 C ATOM 641 C SER A 40 -7.906 -3.435 14.026 1.00 0.00 C ATOM 642 O SER A 40 -7.548 -2.365 13.536 1.00 0.00 O ATOM 643 CB SER A 40 -6.169 -3.046 15.791 1.00 0.00 C ATOM 644 OG SER A 40 -6.458 -2.252 16.927 1.00 0.00 O ATOM 0 H SER A 40 -7.310 -5.789 14.497 1.00 0.00 H new ATOM 0 HA SER A 40 -8.169 -3.752 16.128 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.323 -3.699 16.005 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.875 -2.405 14.960 1.00 0.00 H new ATOM 0 HG SER A 40 -5.668 -1.724 17.167 1.00 0.00 H new ATOM 650 N THR A 41 -8.755 -4.258 13.420 1.00 0.00 N ATOM 651 CA THR A 41 -9.324 -3.943 12.116 1.00 0.00 C ATOM 652 C THR A 41 -10.815 -4.245 12.077 1.00 0.00 C ATOM 653 O THR A 41 -11.227 -5.404 12.112 1.00 0.00 O ATOM 654 CB THR A 41 -8.611 -4.736 11.019 1.00 0.00 C ATOM 655 OG1 THR A 41 -8.363 -6.065 11.440 1.00 0.00 O ATOM 656 CG2 THR A 41 -7.289 -4.129 10.605 1.00 0.00 C ATOM 0 H THR A 41 -9.064 -5.148 13.811 1.00 0.00 H new ATOM 0 HA THR A 41 -9.183 -2.876 11.942 1.00 0.00 H new ATOM 0 HB THR A 41 -9.285 -4.714 10.163 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.851 -6.537 10.750 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.836 -4.740 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.455 -3.121 10.226 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.622 -4.088 11.466 1.00 0.00 H new ATOM 664 N ALA A 42 -11.618 -3.195 11.976 1.00 0.00 N ATOM 665 CA ALA A 42 -13.061 -3.348 11.899 1.00 0.00 C ATOM 666 C ALA A 42 -13.450 -3.803 10.501 1.00 0.00 C ATOM 667 O ALA A 42 -13.946 -4.912 10.303 1.00 0.00 O ATOM 668 CB ALA A 42 -13.755 -2.040 12.251 1.00 0.00 C ATOM 0 H ALA A 42 -11.293 -2.229 11.946 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.380 -4.102 12.619 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.835 -2.173 12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.484 -1.746 13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.444 -1.263 11.552 1.00 0.00 H new ATOM 674 N ASN A 43 -13.193 -2.932 9.534 1.00 0.00 N ATOM 675 CA ASN A 43 -13.483 -3.215 8.140 1.00 0.00 C ATOM 676 C ASN A 43 -12.589 -2.365 7.244 1.00 0.00 C ATOM 677 O ASN A 43 -13.069 -1.595 6.413 1.00 0.00 O ATOM 678 CB ASN A 43 -14.961 -2.951 7.835 1.00 0.00 C ATOM 679 CG ASN A 43 -15.738 -4.229 7.591 1.00 0.00 C ATOM 680 OD1 ASN A 43 -16.511 -4.254 6.512 1.00 0.00 O flip ATOM 681 ND2 ASN A 43 -15.644 -5.185 8.362 1.00 0.00 N flip ATOM 0 H ASN A 43 -12.779 -2.014 9.696 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.280 -4.268 7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -15.410 -2.410 8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.039 -2.309 6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -15.038 -5.123 9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -16.172 -6.039 8.183 1.00 0.00 H new ATOM 688 N LYS A 44 -11.279 -2.494 7.440 1.00 0.00 N ATOM 689 CA LYS A 44 -10.319 -1.718 6.664 1.00 0.00 C ATOM 690 C LYS A 44 -9.205 -2.600 6.111 1.00 0.00 C ATOM 691 O LYS A 44 -8.819 -3.595 6.724 1.00 0.00 O ATOM 692 CB LYS A 44 -9.719 -0.605 7.528 1.00 0.00 C ATOM 693 CG LYS A 44 -10.691 -0.023 8.544 1.00 0.00 C ATOM 694 CD LYS A 44 -9.983 0.366 9.832 1.00 0.00 C ATOM 695 CE LYS A 44 -10.678 1.527 10.525 1.00 0.00 C ATOM 696 NZ LYS A 44 -9.861 2.771 10.474 1.00 0.00 N ATOM 0 H LYS A 44 -10.861 -3.124 8.125 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.852 -1.277 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.849 -0.996 8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.365 0.195 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.183 0.852 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.471 -0.752 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.950 -0.492 10.503 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.951 0.638 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.644 1.707 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.876 1.264 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.369 3.540 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.949 2.607 10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.694 3.036 9.482 1.00 0.00 H new ATOM 710 N TYR A 45 -8.688 -2.213 4.949 1.00 0.00 N ATOM 711 CA TYR A 45 -7.609 -2.952 4.298 1.00 0.00 C ATOM 712 C TYR A 45 -6.250 -2.356 4.654 1.00 0.00 C ATOM 713 O TYR A 45 -6.145 -1.169 4.956 1.00 0.00 O ATOM 714 CB TYR A 45 -7.798 -2.931 2.779 1.00 0.00 C ATOM 715 CG TYR A 45 -9.097 -3.552 2.324 1.00 0.00 C ATOM 716 CD1 TYR A 45 -10.283 -2.831 2.362 1.00 0.00 C ATOM 717 CD2 TYR A 45 -9.139 -4.862 1.866 1.00 0.00 C ATOM 718 CE1 TYR A 45 -11.475 -3.397 1.954 1.00 0.00 C ATOM 719 CE2 TYR A 45 -10.329 -5.437 1.458 1.00 0.00 C ATOM 720 CZ TYR A 45 -11.493 -4.700 1.504 1.00 0.00 C ATOM 721 OH TYR A 45 -12.680 -5.268 1.098 1.00 0.00 O ATOM 0 H TYR A 45 -9.000 -1.388 4.436 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.641 -3.982 4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.756 -1.899 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.968 -3.460 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.273 -1.811 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.228 -5.441 1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.388 -2.822 1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.346 -6.458 1.105 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.519 -6.191 0.809 1.00 0.00 H new ATOM 731 N GLN A 46 -5.209 -3.180 4.598 1.00 0.00 N ATOM 732 CA GLN A 46 -3.856 -2.723 4.892 1.00 0.00 C ATOM 733 C GLN A 46 -3.119 -2.433 3.591 1.00 0.00 C ATOM 734 O GLN A 46 -2.712 -3.349 2.875 1.00 0.00 O ATOM 735 CB GLN A 46 -3.099 -3.773 5.708 1.00 0.00 C ATOM 736 CG GLN A 46 -2.036 -3.185 6.621 1.00 0.00 C ATOM 737 CD GLN A 46 -1.349 -4.238 7.469 1.00 0.00 C ATOM 738 OE1 GLN A 46 -2.003 -5.062 8.107 1.00 0.00 O ATOM 739 NE2 GLN A 46 -0.021 -4.216 7.480 1.00 0.00 N ATOM 0 H GLN A 46 -5.276 -4.168 4.352 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.913 -1.809 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.812 -4.336 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.629 -4.481 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -1.291 -2.666 6.018 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.493 -2.440 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.482 -3.515 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.496 -4.900 8.032 1.00 0.00 H new ATOM 748 N VAL A 47 -2.976 -1.147 3.279 1.00 0.00 N ATOM 749 CA VAL A 47 -2.316 -0.733 2.049 1.00 0.00 C ATOM 750 C VAL A 47 -0.888 -0.252 2.288 1.00 0.00 C ATOM 751 O VAL A 47 -0.557 0.287 3.348 1.00 0.00 O ATOM 752 CB VAL A 47 -3.104 0.383 1.333 1.00 0.00 C ATOM 753 CG1 VAL A 47 -4.536 -0.059 1.062 1.00 0.00 C ATOM 754 CG2 VAL A 47 -3.077 1.672 2.146 1.00 0.00 C ATOM 0 H VAL A 47 -3.308 -0.378 3.861 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.283 -1.620 1.417 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.623 0.579 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.075 0.742 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.529 -0.947 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.030 -0.289 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.639 2.445 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.527 1.496 3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.045 1.999 2.276 1.00 0.00 H new ATOM 764 N PHE A 48 -0.059 -0.443 1.268 1.00 0.00 N ATOM 765 CA PHE A 48 1.339 -0.031 1.312 1.00 0.00 C ATOM 766 C PHE A 48 1.541 1.219 0.460 1.00 0.00 C ATOM 767 O PHE A 48 1.214 1.226 -0.727 1.00 0.00 O ATOM 768 CB PHE A 48 2.236 -1.163 0.803 1.00 0.00 C ATOM 769 CG PHE A 48 3.706 -0.868 0.912 1.00 0.00 C ATOM 770 CD1 PHE A 48 4.274 -0.541 2.134 1.00 0.00 C ATOM 771 CD2 PHE A 48 4.520 -0.919 -0.209 1.00 0.00 C ATOM 772 CE1 PHE A 48 5.626 -0.272 2.236 1.00 0.00 C ATOM 773 CE2 PHE A 48 5.873 -0.651 -0.113 1.00 0.00 C ATOM 774 CZ PHE A 48 6.427 -0.327 1.111 1.00 0.00 C ATOM 0 H PHE A 48 -0.335 -0.886 0.391 1.00 0.00 H new ATOM 0 HA PHE A 48 1.609 0.196 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.014 -2.070 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.992 -1.366 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.653 -0.496 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.092 -1.171 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.056 -0.019 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.496 -0.695 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.484 -0.117 1.188 1.00 0.00 H new ATOM 784 N PHE A 49 2.091 2.266 1.071 1.00 0.00 N ATOM 785 CA PHE A 49 2.345 3.527 0.376 1.00 0.00 C ATOM 786 C PHE A 49 3.751 3.536 -0.218 1.00 0.00 C ATOM 787 O PHE A 49 4.736 3.645 0.516 1.00 0.00 O ATOM 788 CB PHE A 49 2.191 4.710 1.336 1.00 0.00 C ATOM 789 CG PHE A 49 0.791 4.897 1.853 1.00 0.00 C ATOM 790 CD1 PHE A 49 -0.282 5.003 0.980 1.00 0.00 C ATOM 791 CD2 PHE A 49 0.549 4.963 3.213 1.00 0.00 C ATOM 792 CE1 PHE A 49 -1.566 5.172 1.459 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.733 5.132 3.695 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.792 5.236 2.818 1.00 0.00 C ATOM 0 H PHE A 49 2.371 2.266 2.052 1.00 0.00 H new ATOM 0 HA PHE A 49 1.615 3.622 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.864 4.569 2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.505 5.621 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.111 4.953 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.373 4.881 3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.393 5.254 0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.907 5.183 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.796 5.367 3.194 1.00 0.00 H new ATOM 804 N PHE A 50 3.840 3.432 -1.542 1.00 0.00 N ATOM 805 CA PHE A 50 5.130 3.425 -2.222 1.00 0.00 C ATOM 806 C PHE A 50 5.892 4.719 -1.959 1.00 0.00 C ATOM 807 O PHE A 50 5.380 5.629 -1.306 1.00 0.00 O ATOM 808 CB PHE A 50 4.940 3.226 -3.728 1.00 0.00 C ATOM 809 CG PHE A 50 4.571 1.819 -4.098 1.00 0.00 C ATOM 810 CD1 PHE A 50 5.445 0.773 -3.847 1.00 0.00 C ATOM 811 CD2 PHE A 50 3.349 1.539 -4.689 1.00 0.00 C ATOM 812 CE1 PHE A 50 5.106 -0.525 -4.176 1.00 0.00 C ATOM 813 CE2 PHE A 50 3.007 0.243 -5.021 1.00 0.00 C ATOM 814 CZ PHE A 50 3.887 -0.790 -4.764 1.00 0.00 C ATOM 0 H PHE A 50 3.035 3.352 -2.163 1.00 0.00 H new ATOM 0 HA PHE A 50 5.714 2.594 -1.826 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.163 3.903 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.861 3.500 -4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.402 0.975 -3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.657 2.343 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.795 -1.332 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.052 0.037 -5.481 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.621 -1.804 -5.023 1.00 0.00 H new ATOM 824 N GLY A 51 7.122 4.792 -2.462 1.00 0.00 N ATOM 825 CA GLY A 51 7.937 5.977 -2.262 1.00 0.00 C ATOM 826 C GLY A 51 8.398 6.116 -0.824 1.00 0.00 C ATOM 827 O GLY A 51 9.596 6.075 -0.539 1.00 0.00 O ATOM 0 H GLY A 51 7.568 4.052 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.806 5.934 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.366 6.861 -2.546 1.00 0.00 H new ATOM 831 N THR A 52 7.439 6.264 0.081 1.00 0.00 N ATOM 832 CA THR A 52 7.728 6.395 1.504 1.00 0.00 C ATOM 833 C THR A 52 7.731 5.028 2.183 1.00 0.00 C ATOM 834 O THR A 52 8.332 4.851 3.242 1.00 0.00 O ATOM 835 CB THR A 52 6.694 7.308 2.161 1.00 0.00 C ATOM 836 OG1 THR A 52 5.396 6.749 2.062 1.00 0.00 O ATOM 837 CG2 THR A 52 6.647 8.690 1.547 1.00 0.00 C ATOM 0 H THR A 52 6.446 6.297 -0.148 1.00 0.00 H new ATOM 0 HA THR A 52 8.719 6.835 1.619 1.00 0.00 H new ATOM 0 HB THR A 52 7.005 7.398 3.202 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.749 7.347 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.893 9.290 2.058 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.621 9.167 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.392 8.610 0.490 1.00 0.00 H new ATOM 845 N HIS A 53 7.052 4.063 1.566 1.00 0.00 N ATOM 846 CA HIS A 53 6.970 2.711 2.108 1.00 0.00 C ATOM 847 C HIS A 53 6.242 2.716 3.447 1.00 0.00 C ATOM 848 O HIS A 53 6.575 1.946 4.348 1.00 0.00 O ATOM 849 CB HIS A 53 8.370 2.115 2.280 1.00 0.00 C ATOM 850 CG HIS A 53 9.196 2.153 1.032 1.00 0.00 C ATOM 851 ND1 HIS A 53 10.556 2.388 1.037 1.00 0.00 N ATOM 852 CD2 HIS A 53 8.851 1.982 -0.266 1.00 0.00 C ATOM 853 CE1 HIS A 53 11.009 2.360 -0.205 1.00 0.00 C ATOM 854 NE2 HIS A 53 9.995 2.115 -1.012 1.00 0.00 N ATOM 0 H HIS A 53 6.550 4.194 0.688 1.00 0.00 H new ATOM 0 HA HIS A 53 6.410 2.096 1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.892 2.658 3.068 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.277 1.081 2.613 1.00 0.00 H new ATOM 0 HD1 HIS A 53 11.123 2.557 1.868 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.860 1.779 -0.644 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.035 2.512 -0.507 1.00 0.00 H new ATOM 863 N GLU A 54 5.245 3.585 3.566 1.00 0.00 N ATOM 864 CA GLU A 54 4.468 3.690 4.798 1.00 0.00 C ATOM 865 C GLU A 54 3.251 2.772 4.746 1.00 0.00 C ATOM 866 O GLU A 54 2.776 2.427 3.669 1.00 0.00 O ATOM 867 CB GLU A 54 4.030 5.138 5.021 1.00 0.00 C ATOM 868 CG GLU A 54 5.189 6.124 5.053 1.00 0.00 C ATOM 869 CD GLU A 54 4.728 7.562 5.183 1.00 0.00 C ATOM 870 OE1 GLU A 54 3.675 7.794 5.813 1.00 0.00 O ATOM 871 OE2 GLU A 54 5.422 8.458 4.657 1.00 0.00 O ATOM 0 H GLU A 54 4.955 4.226 2.827 1.00 0.00 H new ATOM 0 HA GLU A 54 5.097 3.379 5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.339 5.427 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.482 5.203 5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.846 5.880 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.778 6.016 4.142 1.00 0.00 H new ATOM 878 N THR A 55 2.747 2.371 5.909 1.00 0.00 N ATOM 879 CA THR A 55 1.592 1.487 5.959 1.00 0.00 C ATOM 880 C THR A 55 0.444 2.109 6.734 1.00 0.00 C ATOM 881 O THR A 55 0.643 2.763 7.758 1.00 0.00 O ATOM 882 CB THR A 55 1.976 0.136 6.571 1.00 0.00 C ATOM 883 OG1 THR A 55 3.245 0.212 7.196 1.00 0.00 O ATOM 884 CG2 THR A 55 2.031 -0.986 5.556 1.00 0.00 C ATOM 0 H THR A 55 3.117 2.642 6.820 1.00 0.00 H new ATOM 0 HA THR A 55 1.255 1.329 4.935 1.00 0.00 H new ATOM 0 HB THR A 55 1.192 -0.088 7.294 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.472 -0.660 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.309 -1.915 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.053 -1.103 5.090 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.771 -0.749 4.792 1.00 0.00 H new ATOM 892 N ALA A 56 -0.762 1.895 6.227 1.00 0.00 N ATOM 893 CA ALA A 56 -1.957 2.433 6.857 1.00 0.00 C ATOM 894 C ALA A 56 -3.189 1.608 6.509 1.00 0.00 C ATOM 895 O ALA A 56 -3.144 0.753 5.625 1.00 0.00 O ATOM 896 CB ALA A 56 -2.141 3.878 6.440 1.00 0.00 C ATOM 0 H ALA A 56 -0.938 1.353 5.381 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.832 2.385 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.037 4.282 6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.273 4.460 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.246 3.934 5.356 1.00 0.00 H new ATOM 902 N PHE A 57 -4.290 1.866 7.207 1.00 0.00 N ATOM 903 CA PHE A 57 -5.533 1.142 6.970 1.00 0.00 C ATOM 904 C PHE A 57 -6.596 2.056 6.364 1.00 0.00 C ATOM 905 O PHE A 57 -6.892 3.123 6.902 1.00 0.00 O ATOM 906 CB PHE A 57 -6.049 0.537 8.275 1.00 0.00 C ATOM 907 CG PHE A 57 -5.121 -0.484 8.867 1.00 0.00 C ATOM 908 CD1 PHE A 57 -3.992 -0.091 9.567 1.00 0.00 C ATOM 909 CD2 PHE A 57 -5.378 -1.837 8.722 1.00 0.00 C ATOM 910 CE1 PHE A 57 -3.136 -1.029 10.111 1.00 0.00 C ATOM 911 CE2 PHE A 57 -4.526 -2.780 9.264 1.00 0.00 C ATOM 912 CZ PHE A 57 -3.403 -2.376 9.959 1.00 0.00 C ATOM 0 H PHE A 57 -4.347 2.571 7.942 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.326 0.341 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.208 1.336 8.999 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.019 0.074 8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.779 0.961 9.689 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.254 -2.159 8.179 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.259 -0.710 10.655 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.738 -3.832 9.144 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.735 -3.111 10.383 1.00 0.00 H new ATOM 922 N LEU A 58 -7.167 1.628 5.243 1.00 0.00 N ATOM 923 CA LEU A 58 -8.197 2.410 4.568 1.00 0.00 C ATOM 924 C LEU A 58 -9.324 1.512 4.073 1.00 0.00 C ATOM 925 O LEU A 58 -9.149 0.302 3.926 1.00 0.00 O ATOM 926 CB LEU A 58 -7.593 3.184 3.394 1.00 0.00 C ATOM 927 CG LEU A 58 -6.653 4.326 3.787 1.00 0.00 C ATOM 928 CD1 LEU A 58 -5.220 3.826 3.896 1.00 0.00 C ATOM 929 CD2 LEU A 58 -6.749 5.464 2.780 1.00 0.00 C ATOM 0 H LEU A 58 -6.935 0.747 4.784 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.609 3.118 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.046 2.485 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.405 3.592 2.792 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.958 4.703 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.567 4.652 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.164 3.045 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.902 3.422 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.074 6.268 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.470 5.100 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.772 5.840 2.753 1.00 0.00 H new ATOM 941 N GLY A 59 -10.484 2.111 3.816 1.00 0.00 N ATOM 942 CA GLY A 59 -11.623 1.349 3.342 1.00 0.00 C ATOM 943 C GLY A 59 -11.728 1.330 1.829 1.00 0.00 C ATOM 944 O GLY A 59 -10.926 1.963 1.142 1.00 0.00 O ATOM 0 H GLY A 59 -10.654 3.110 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.548 0.326 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.537 1.772 3.760 1.00 0.00 H new ATOM 948 N PRO A 60 -12.716 0.607 1.277 1.00 0.00 N ATOM 949 CA PRO A 60 -12.914 0.514 -0.174 1.00 0.00 C ATOM 950 C PRO A 60 -13.313 1.850 -0.792 1.00 0.00 C ATOM 951 O PRO A 60 -13.045 2.105 -1.966 1.00 0.00 O ATOM 952 CB PRO A 60 -14.049 -0.503 -0.320 1.00 0.00 C ATOM 953 CG PRO A 60 -14.766 -0.468 0.985 1.00 0.00 C ATOM 954 CD PRO A 60 -13.719 -0.175 2.022 1.00 0.00 C ATOM 0 HA PRO A 60 -11.998 0.224 -0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.713 -0.238 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -13.662 -1.500 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -15.541 0.299 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -15.259 -1.419 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.129 0.390 2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -13.292 -1.090 2.433 1.00 0.00 H new ATOM 962 N LYS A 61 -13.949 2.705 0.005 1.00 0.00 N ATOM 963 CA LYS A 61 -14.373 4.017 -0.469 1.00 0.00 C ATOM 964 C LYS A 61 -13.169 4.920 -0.721 1.00 0.00 C ATOM 965 O LYS A 61 -13.236 5.852 -1.523 1.00 0.00 O ATOM 966 CB LYS A 61 -15.313 4.671 0.544 1.00 0.00 C ATOM 967 CG LYS A 61 -16.413 3.745 1.041 1.00 0.00 C ATOM 968 CD LYS A 61 -17.793 4.346 0.824 1.00 0.00 C ATOM 969 CE LYS A 61 -18.880 3.284 0.875 1.00 0.00 C ATOM 970 NZ LYS A 61 -20.035 3.711 1.710 1.00 0.00 N ATOM 0 H LYS A 61 -14.181 2.512 0.979 1.00 0.00 H new ATOM 0 HA LYS A 61 -14.905 3.880 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.730 5.019 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.768 5.551 0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.346 2.789 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.267 3.542 2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.985 5.101 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.823 4.852 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.224 3.068 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.465 2.359 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -20.754 2.959 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.712 3.893 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.447 4.580 1.314 1.00 0.00 H new ATOM 984 N ASP A 62 -12.069 4.639 -0.029 1.00 0.00 N ATOM 985 CA ASP A 62 -10.851 5.427 -0.176 1.00 0.00 C ATOM 986 C ASP A 62 -9.855 4.741 -1.110 1.00 0.00 C ATOM 987 O ASP A 62 -8.729 5.209 -1.276 1.00 0.00 O ATOM 988 CB ASP A 62 -10.205 5.662 1.191 1.00 0.00 C ATOM 989 CG ASP A 62 -10.822 6.834 1.929 1.00 0.00 C ATOM 990 OD1 ASP A 62 -11.046 7.885 1.294 1.00 0.00 O ATOM 991 OD2 ASP A 62 -11.079 6.701 3.145 1.00 0.00 O ATOM 0 H ASP A 62 -11.997 3.871 0.639 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.125 6.386 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.305 4.761 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.138 5.840 1.059 1.00 0.00 H new ATOM 996 N LEU A 63 -10.270 3.633 -1.719 1.00 0.00 N ATOM 997 CA LEU A 63 -9.407 2.898 -2.634 1.00 0.00 C ATOM 998 C LEU A 63 -9.946 2.970 -4.058 1.00 0.00 C ATOM 999 O LEU A 63 -11.153 2.875 -4.281 1.00 0.00 O ATOM 1000 CB LEU A 63 -9.283 1.439 -2.191 1.00 0.00 C ATOM 1001 CG LEU A 63 -8.655 1.235 -0.811 1.00 0.00 C ATOM 1002 CD1 LEU A 63 -8.960 -0.159 -0.285 1.00 0.00 C ATOM 1003 CD2 LEU A 63 -7.151 1.467 -0.870 1.00 0.00 C ATOM 0 H LEU A 63 -11.197 3.227 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.419 3.357 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.276 0.989 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.688 0.900 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.089 1.962 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.505 -0.285 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.039 -0.289 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.555 -0.903 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.721 1.318 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.702 0.763 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.953 2.486 -1.202 1.00 0.00 H new ATOM 1015 N PHE A 64 -9.045 3.151 -5.021 1.00 0.00 N ATOM 1016 CA PHE A 64 -9.429 3.247 -6.426 1.00 0.00 C ATOM 1017 C PHE A 64 -8.508 2.398 -7.300 1.00 0.00 C ATOM 1018 O PHE A 64 -7.355 2.150 -6.943 1.00 0.00 O ATOM 1019 CB PHE A 64 -9.376 4.707 -6.899 1.00 0.00 C ATOM 1020 CG PHE A 64 -10.059 5.680 -5.977 1.00 0.00 C ATOM 1021 CD1 PHE A 64 -9.611 5.863 -4.677 1.00 0.00 C ATOM 1022 CD2 PHE A 64 -11.153 6.413 -6.412 1.00 0.00 C ATOM 1023 CE1 PHE A 64 -10.240 6.756 -3.830 1.00 0.00 C ATOM 1024 CE2 PHE A 64 -11.786 7.307 -5.569 1.00 0.00 C ATOM 1025 CZ PHE A 64 -11.329 7.478 -4.277 1.00 0.00 C ATOM 0 H PHE A 64 -8.042 3.234 -4.853 1.00 0.00 H new ATOM 0 HA PHE A 64 -10.449 2.874 -6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.333 5.003 -7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.836 4.774 -7.885 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.760 5.301 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.515 6.284 -7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.880 6.889 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -12.637 7.871 -5.920 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.823 8.176 -3.617 1.00 0.00 H new ATOM 1035 N PRO A 65 -8.998 1.944 -8.468 1.00 0.00 N ATOM 1036 CA PRO A 65 -8.199 1.136 -9.389 1.00 0.00 C ATOM 1037 C PRO A 65 -7.055 1.950 -9.985 1.00 0.00 C ATOM 1038 O PRO A 65 -7.280 2.886 -10.752 1.00 0.00 O ATOM 1039 CB PRO A 65 -9.196 0.715 -10.480 1.00 0.00 C ATOM 1040 CG PRO A 65 -10.549 1.046 -9.939 1.00 0.00 C ATOM 1041 CD PRO A 65 -10.350 2.188 -8.987 1.00 0.00 C ATOM 0 HA PRO A 65 -7.732 0.284 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.005 1.248 -11.412 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.111 -0.349 -10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.232 1.323 -10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.986 0.187 -9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.423 3.152 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -11.095 2.187 -8.192 1.00 0.00 H new ATOM 1049 N TYR A 66 -5.831 1.595 -9.616 1.00 0.00 N ATOM 1050 CA TYR A 66 -4.645 2.302 -10.094 1.00 0.00 C ATOM 1051 C TYR A 66 -4.626 2.437 -11.617 1.00 0.00 C ATOM 1052 O TYR A 66 -4.605 3.544 -12.148 1.00 0.00 O ATOM 1053 CB TYR A 66 -3.377 1.586 -9.622 1.00 0.00 C ATOM 1054 CG TYR A 66 -2.105 2.248 -10.099 1.00 0.00 C ATOM 1055 CD1 TYR A 66 -1.531 3.291 -9.384 1.00 0.00 C ATOM 1056 CD2 TYR A 66 -1.483 1.834 -11.271 1.00 0.00 C ATOM 1057 CE1 TYR A 66 -0.374 3.905 -9.823 1.00 0.00 C ATOM 1058 CE2 TYR A 66 -0.325 2.442 -11.716 1.00 0.00 C ATOM 1059 CZ TYR A 66 0.225 3.477 -10.989 1.00 0.00 C ATOM 1060 OH TYR A 66 1.379 4.086 -11.430 1.00 0.00 O ATOM 0 H TYR A 66 -5.631 0.819 -8.985 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.679 3.307 -9.674 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.373 1.549 -8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.397 0.555 -9.976 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.997 3.628 -8.470 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.912 1.024 -11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.059 4.716 -9.256 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.147 2.109 -12.628 1.00 0.00 H new ATOM 0 HH TYR A 66 1.958 3.420 -11.856 1.00 0.00 H new ATOM 1070 N GLU A 67 -4.635 1.306 -12.311 1.00 0.00 N ATOM 1071 CA GLU A 67 -4.598 1.304 -13.776 1.00 0.00 C ATOM 1072 C GLU A 67 -5.619 2.273 -14.371 1.00 0.00 C ATOM 1073 O GLU A 67 -5.327 2.996 -15.322 1.00 0.00 O ATOM 1074 CB GLU A 67 -4.855 -0.107 -14.307 1.00 0.00 C ATOM 1075 CG GLU A 67 -3.781 -1.109 -13.913 1.00 0.00 C ATOM 1076 CD GLU A 67 -4.179 -1.949 -12.715 1.00 0.00 C ATOM 1077 OE1 GLU A 67 -4.713 -1.378 -11.741 1.00 0.00 O ATOM 1078 OE2 GLU A 67 -3.956 -3.178 -12.753 1.00 0.00 O ATOM 0 H GLU A 67 -4.667 0.378 -11.888 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.605 1.635 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.819 -0.456 -13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.925 -0.070 -15.394 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.573 -1.764 -14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.857 -0.576 -13.688 1.00 0.00 H new ATOM 1085 N GLU A 68 -6.815 2.268 -13.807 1.00 0.00 N ATOM 1086 CA GLU A 68 -7.899 3.127 -14.269 1.00 0.00 C ATOM 1087 C GLU A 68 -7.665 4.597 -13.927 1.00 0.00 C ATOM 1088 O GLU A 68 -7.987 5.481 -14.721 1.00 0.00 O ATOM 1089 CB GLU A 68 -9.235 2.667 -13.688 1.00 0.00 C ATOM 1090 CG GLU A 68 -9.660 1.286 -14.160 1.00 0.00 C ATOM 1091 CD GLU A 68 -11.064 0.924 -13.716 1.00 0.00 C ATOM 1092 OE1 GLU A 68 -11.980 1.749 -13.913 1.00 0.00 O ATOM 1093 OE2 GLU A 68 -11.247 -0.186 -13.172 1.00 0.00 O ATOM 0 H GLU A 68 -7.064 1.671 -13.018 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.925 3.042 -15.355 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.167 2.665 -12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.007 3.388 -13.958 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.605 1.245 -15.248 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.959 0.544 -13.777 1.00 0.00 H new ATOM 1100 N SER A 69 -7.140 4.860 -12.737 1.00 0.00 N ATOM 1101 CA SER A 69 -6.916 6.238 -12.305 1.00 0.00 C ATOM 1102 C SER A 69 -5.450 6.655 -12.404 1.00 0.00 C ATOM 1103 O SER A 69 -5.074 7.726 -11.928 1.00 0.00 O ATOM 1104 CB SER A 69 -7.409 6.424 -10.869 1.00 0.00 C ATOM 1105 OG SER A 69 -8.092 5.271 -10.407 1.00 0.00 O ATOM 0 H SER A 69 -6.864 4.149 -12.060 1.00 0.00 H new ATOM 0 HA SER A 69 -7.482 6.879 -12.981 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.562 6.634 -10.216 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.073 7.287 -10.819 1.00 0.00 H new ATOM 0 HG SER A 69 -7.456 4.533 -10.305 1.00 0.00 H new ATOM 1111 N LYS A 70 -4.621 5.816 -13.012 1.00 0.00 N ATOM 1112 CA LYS A 70 -3.201 6.127 -13.151 1.00 0.00 C ATOM 1113 C LYS A 70 -2.991 7.473 -13.839 1.00 0.00 C ATOM 1114 O LYS A 70 -2.214 8.305 -13.373 1.00 0.00 O ATOM 1115 CB LYS A 70 -2.483 5.024 -13.928 1.00 0.00 C ATOM 1116 CG LYS A 70 -2.994 4.838 -15.346 1.00 0.00 C ATOM 1117 CD LYS A 70 -2.505 3.528 -15.941 1.00 0.00 C ATOM 1118 CE LYS A 70 -1.278 3.736 -16.813 1.00 0.00 C ATOM 1119 NZ LYS A 70 -1.059 2.597 -17.747 1.00 0.00 N ATOM 0 H LYS A 70 -4.902 4.922 -13.414 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.777 6.188 -12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.418 5.252 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.590 4.084 -13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.084 4.856 -15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.660 5.669 -15.967 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.268 2.829 -15.139 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.301 3.076 -16.533 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.391 4.657 -17.385 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.400 3.860 -16.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.213 2.779 -18.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.925 1.722 -17.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.886 2.494 -18.369 1.00 0.00 H new ATOM 1133 N GLU A 71 -3.686 7.678 -14.951 1.00 0.00 N ATOM 1134 CA GLU A 71 -3.574 8.920 -15.710 1.00 0.00 C ATOM 1135 C GLU A 71 -4.200 10.098 -14.967 1.00 0.00 C ATOM 1136 O GLU A 71 -3.853 11.251 -15.220 1.00 0.00 O ATOM 1137 CB GLU A 71 -4.236 8.763 -17.080 1.00 0.00 C ATOM 1138 CG GLU A 71 -3.573 7.713 -17.959 1.00 0.00 C ATOM 1139 CD GLU A 71 -3.186 8.252 -19.324 1.00 0.00 C ATOM 1140 OE1 GLU A 71 -2.891 9.462 -19.422 1.00 0.00 O ATOM 1141 OE2 GLU A 71 -3.177 7.463 -20.292 1.00 0.00 O ATOM 0 H GLU A 71 -4.335 6.999 -15.349 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.512 9.130 -15.838 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.284 8.498 -16.940 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.216 9.723 -17.596 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.683 7.334 -17.457 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.252 6.869 -18.085 1.00 0.00 H new ATOM 1148 N LYS A 72 -5.137 9.811 -14.067 1.00 0.00 N ATOM 1149 CA LYS A 72 -5.821 10.859 -13.315 1.00 0.00 C ATOM 1150 C LYS A 72 -5.044 11.280 -12.069 1.00 0.00 C ATOM 1151 O LYS A 72 -4.888 12.472 -11.803 1.00 0.00 O ATOM 1152 CB LYS A 72 -7.217 10.386 -12.910 1.00 0.00 C ATOM 1153 CG LYS A 72 -8.030 9.834 -14.070 1.00 0.00 C ATOM 1154 CD LYS A 72 -9.381 9.317 -13.607 1.00 0.00 C ATOM 1155 CE LYS A 72 -10.403 10.437 -13.509 1.00 0.00 C ATOM 1156 NZ LYS A 72 -11.780 9.961 -13.814 1.00 0.00 N ATOM 0 H LYS A 72 -5.439 8.863 -13.841 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.895 11.728 -13.969 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.123 9.617 -12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.758 11.219 -12.461 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.175 10.614 -14.818 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.477 9.028 -14.552 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.738 8.557 -14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.274 8.835 -12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.380 10.863 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.134 11.236 -14.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.447 10.755 -13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.809 9.578 -14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.048 9.217 -13.139 1.00 0.00 H new ATOM 1170 N PHE A 73 -4.587 10.306 -11.293 1.00 0.00 N ATOM 1171 CA PHE A 73 -3.862 10.600 -10.060 1.00 0.00 C ATOM 1172 C PHE A 73 -2.361 10.349 -10.184 1.00 0.00 C ATOM 1173 O PHE A 73 -1.616 10.561 -9.227 1.00 0.00 O ATOM 1174 CB PHE A 73 -4.435 9.771 -8.911 1.00 0.00 C ATOM 1175 CG PHE A 73 -5.922 9.915 -8.754 1.00 0.00 C ATOM 1176 CD1 PHE A 73 -6.790 9.276 -9.625 1.00 0.00 C ATOM 1177 CD2 PHE A 73 -6.452 10.689 -7.734 1.00 0.00 C ATOM 1178 CE1 PHE A 73 -8.159 9.406 -9.480 1.00 0.00 C ATOM 1179 CE2 PHE A 73 -7.819 10.822 -7.585 1.00 0.00 C ATOM 1180 CZ PHE A 73 -8.673 10.180 -8.459 1.00 0.00 C ATOM 0 H PHE A 73 -4.703 9.312 -11.492 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.993 11.663 -9.857 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.195 8.721 -9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.949 10.067 -7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.393 8.670 -10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.789 11.194 -7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.825 8.903 -10.165 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.219 11.428 -6.785 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.742 10.283 -8.344 1.00 0.00 H new ATOM 1190 N GLY A 74 -1.914 9.899 -11.352 1.00 0.00 N ATOM 1191 CA GLY A 74 -0.498 9.636 -11.541 1.00 0.00 C ATOM 1192 C GLY A 74 0.270 10.862 -11.992 1.00 0.00 C ATOM 1193 O GLY A 74 0.672 10.958 -13.153 1.00 0.00 O ATOM 0 H GLY A 74 -2.501 9.713 -12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.073 9.270 -10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.375 8.844 -12.279 1.00 0.00 H new ATOM 1197 N LYS A 75 0.479 11.803 -11.075 1.00 0.00 N ATOM 1198 CA LYS A 75 1.205 13.029 -11.386 1.00 0.00 C ATOM 1199 C LYS A 75 1.963 13.530 -10.158 1.00 0.00 C ATOM 1200 O LYS A 75 1.629 13.175 -9.028 1.00 0.00 O ATOM 1201 CB LYS A 75 0.235 14.106 -11.872 1.00 0.00 C ATOM 1202 CG LYS A 75 -0.235 13.902 -13.304 1.00 0.00 C ATOM 1203 CD LYS A 75 0.821 14.338 -14.305 1.00 0.00 C ATOM 1204 CE LYS A 75 0.384 14.057 -15.733 1.00 0.00 C ATOM 1205 NZ LYS A 75 1.539 13.722 -16.611 1.00 0.00 N ATOM 0 H LYS A 75 0.155 11.739 -10.110 1.00 0.00 H new ATOM 0 HA LYS A 75 1.924 12.812 -12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.633 14.125 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.717 15.080 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.476 12.851 -13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.152 14.468 -13.471 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.018 15.403 -14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.756 13.816 -14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.328 13.232 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.135 14.929 -16.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.199 13.537 -17.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.207 14.519 -16.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.019 12.875 -16.245 1.00 0.00 H new ATOM 1219 N PRO A 76 2.995 14.367 -10.361 1.00 0.00 N ATOM 1220 CA PRO A 76 3.796 14.914 -9.260 1.00 0.00 C ATOM 1221 C PRO A 76 2.941 15.632 -8.221 1.00 0.00 C ATOM 1222 O PRO A 76 1.857 16.127 -8.529 1.00 0.00 O ATOM 1223 CB PRO A 76 4.749 15.901 -9.949 1.00 0.00 C ATOM 1224 CG PRO A 76 4.175 16.122 -11.308 1.00 0.00 C ATOM 1225 CD PRO A 76 3.463 14.850 -11.667 1.00 0.00 C ATOM 0 HA PRO A 76 4.312 14.127 -8.710 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.815 16.836 -9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.759 15.495 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 76 3.487 16.968 -11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.959 16.348 -12.031 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.636 15.028 -12.354 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.129 14.135 -12.149 1.00 0.00 H new ATOM 1233 N ASN A 77 3.428 15.668 -6.984 1.00 0.00 N ATOM 1234 CA ASN A 77 2.690 16.308 -5.901 1.00 0.00 C ATOM 1235 C ASN A 77 3.577 17.247 -5.094 1.00 0.00 C ATOM 1236 O ASN A 77 4.803 17.210 -5.198 1.00 0.00 O ATOM 1237 CB ASN A 77 2.082 15.250 -4.979 1.00 0.00 C ATOM 1238 CG ASN A 77 0.739 15.678 -4.422 1.00 0.00 C ATOM 1239 OD1 ASN A 77 0.617 15.992 -3.239 1.00 0.00 O ATOM 1240 ND2 ASN A 77 -0.277 15.694 -5.276 1.00 0.00 N ATOM 0 H ASN A 77 4.323 15.265 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 77 1.893 16.901 -6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.964 14.316 -5.529 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.768 15.051 -4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.205 15.975 -4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.130 15.425 -6.249 1.00 0.00 H new ATOM 1247 N LYS A 78 2.938 18.091 -4.288 1.00 0.00 N ATOM 1248 CA LYS A 78 3.652 19.048 -3.455 1.00 0.00 C ATOM 1249 C LYS A 78 4.050 18.422 -2.120 1.00 0.00 C ATOM 1250 O LYS A 78 4.924 18.937 -1.423 1.00 0.00 O ATOM 1251 CB LYS A 78 2.788 20.287 -3.211 1.00 0.00 C ATOM 1252 CG LYS A 78 3.554 21.459 -2.621 1.00 0.00 C ATOM 1253 CD LYS A 78 4.506 22.069 -3.637 1.00 0.00 C ATOM 1254 CE LYS A 78 4.919 23.479 -3.239 1.00 0.00 C ATOM 1255 NZ LYS A 78 6.365 23.728 -3.493 1.00 0.00 N ATOM 0 H LYS A 78 1.923 18.130 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 78 4.560 19.342 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.338 20.597 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.971 20.023 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.852 22.218 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.116 21.126 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.392 21.441 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.029 22.092 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.323 24.202 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.704 23.635 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.605 24.699 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.935 23.055 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.566 23.604 -4.506 1.00 0.00 H new ATOM 1269 N ARG A 79 3.415 17.304 -1.774 1.00 0.00 N ATOM 1270 CA ARG A 79 3.718 16.611 -0.530 1.00 0.00 C ATOM 1271 C ARG A 79 5.123 16.029 -0.572 1.00 0.00 C ATOM 1272 O ARG A 79 5.674 15.626 0.452 1.00 0.00 O ATOM 1273 CB ARG A 79 2.699 15.501 -0.277 1.00 0.00 C ATOM 1274 CG ARG A 79 1.495 15.953 0.531 1.00 0.00 C ATOM 1275 CD ARG A 79 0.433 16.583 -0.357 1.00 0.00 C ATOM 1276 NE ARG A 79 -0.638 17.201 0.423 1.00 0.00 N ATOM 1277 CZ ARG A 79 -0.562 18.418 0.958 1.00 0.00 C ATOM 1278 NH1 ARG A 79 0.534 19.151 0.807 1.00 0.00 N ATOM 1279 NH2 ARG A 79 -1.585 18.902 1.648 1.00 0.00 N ATOM 0 H ARG A 79 2.689 16.862 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 79 3.663 17.332 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.357 15.108 -1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.190 14.681 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.069 15.100 1.060 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.812 16.671 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.895 17.335 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.011 15.822 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.496 16.668 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.325 18.783 0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.585 20.082 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.429 18.342 1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.528 19.834 2.058 1.00 0.00 H new ATOM 1293 N LYS A 80 5.691 15.977 -1.770 1.00 0.00 N ATOM 1294 CA LYS A 80 7.022 15.433 -1.964 1.00 0.00 C ATOM 1295 C LYS A 80 7.042 13.958 -1.601 1.00 0.00 C ATOM 1296 O LYS A 80 6.338 13.521 -0.691 1.00 0.00 O ATOM 1297 CB LYS A 80 8.047 16.216 -1.146 1.00 0.00 C ATOM 1298 CG LYS A 80 8.053 17.707 -1.452 1.00 0.00 C ATOM 1299 CD LYS A 80 8.054 17.985 -2.952 1.00 0.00 C ATOM 1300 CE LYS A 80 9.407 17.675 -3.573 1.00 0.00 C ATOM 1301 NZ LYS A 80 10.511 18.404 -2.891 1.00 0.00 N ATOM 0 H LYS A 80 5.244 16.308 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 80 7.292 15.530 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.842 16.071 -0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.040 15.809 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.179 18.173 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.931 18.166 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.284 17.384 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.801 19.030 -3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.593 16.602 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.392 17.944 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.192 18.744 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.121 19.215 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.992 17.764 -2.228 1.00 0.00 H new ATOM 1315 N GLY A 81 7.830 13.193 -2.336 1.00 0.00 N ATOM 1316 CA GLY A 81 7.901 11.768 -2.094 1.00 0.00 C ATOM 1317 C GLY A 81 6.837 11.011 -2.868 1.00 0.00 C ATOM 1318 O GLY A 81 6.946 9.800 -3.063 1.00 0.00 O ATOM 0 H GLY A 81 8.421 13.531 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.887 11.400 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.782 11.574 -1.028 1.00 0.00 H new ATOM 1322 N PHE A 82 5.804 11.729 -3.321 1.00 0.00 N ATOM 1323 CA PHE A 82 4.718 11.127 -4.082 1.00 0.00 C ATOM 1324 C PHE A 82 5.248 10.457 -5.344 1.00 0.00 C ATOM 1325 O PHE A 82 4.996 9.278 -5.590 1.00 0.00 O ATOM 1326 CB PHE A 82 3.696 12.202 -4.452 1.00 0.00 C ATOM 1327 CG PHE A 82 2.552 11.686 -5.270 1.00 0.00 C ATOM 1328 CD1 PHE A 82 2.691 11.493 -6.635 1.00 0.00 C ATOM 1329 CD2 PHE A 82 1.337 11.394 -4.675 1.00 0.00 C ATOM 1330 CE1 PHE A 82 1.639 11.016 -7.391 1.00 0.00 C ATOM 1331 CE2 PHE A 82 0.282 10.917 -5.426 1.00 0.00 C ATOM 1332 CZ PHE A 82 0.431 10.728 -6.785 1.00 0.00 C ATOM 0 H PHE A 82 5.702 12.733 -3.170 1.00 0.00 H new ATOM 0 HA PHE A 82 4.240 10.365 -3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.305 12.650 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.199 12.995 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.633 11.718 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 82 1.213 11.541 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.760 10.868 -8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.661 10.691 -4.950 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.395 10.356 -7.373 1.00 0.00 H new ATOM 1342 N SER A 83 5.980 11.225 -6.145 1.00 0.00 N ATOM 1343 CA SER A 83 6.545 10.715 -7.388 1.00 0.00 C ATOM 1344 C SER A 83 7.342 9.437 -7.147 1.00 0.00 C ATOM 1345 O SER A 83 7.199 8.460 -7.882 1.00 0.00 O ATOM 1346 CB SER A 83 7.440 11.768 -8.040 1.00 0.00 C ATOM 1347 OG SER A 83 7.912 12.701 -7.082 1.00 0.00 O ATOM 0 H SER A 83 6.196 12.204 -5.955 1.00 0.00 H new ATOM 0 HA SER A 83 5.717 10.484 -8.059 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.286 11.281 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.884 12.291 -8.818 1.00 0.00 H new ATOM 0 HG SER A 83 8.484 13.363 -7.524 1.00 0.00 H new ATOM 1353 N GLU A 84 8.177 9.446 -6.111 1.00 0.00 N ATOM 1354 CA GLU A 84 8.987 8.278 -5.774 1.00 0.00 C ATOM 1355 C GLU A 84 8.125 7.020 -5.748 1.00 0.00 C ATOM 1356 O GLU A 84 8.590 5.926 -6.068 1.00 0.00 O ATOM 1357 CB GLU A 84 9.669 8.472 -4.418 1.00 0.00 C ATOM 1358 CG GLU A 84 10.707 7.407 -4.104 1.00 0.00 C ATOM 1359 CD GLU A 84 12.127 7.913 -4.256 1.00 0.00 C ATOM 1360 OE1 GLU A 84 12.357 8.790 -5.114 1.00 0.00 O ATOM 1361 OE2 GLU A 84 13.012 7.431 -3.517 1.00 0.00 O ATOM 0 H GLU A 84 8.310 10.246 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 84 9.754 8.162 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.147 9.451 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.911 8.471 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.560 7.051 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.557 6.553 -4.765 1.00 0.00 H new ATOM 1368 N GLY A 85 6.861 7.191 -5.372 1.00 0.00 N ATOM 1369 CA GLY A 85 5.950 6.066 -5.323 1.00 0.00 C ATOM 1370 C GLY A 85 5.534 5.610 -6.707 1.00 0.00 C ATOM 1371 O GLY A 85 5.293 4.424 -6.933 1.00 0.00 O ATOM 0 H GLY A 85 6.454 8.086 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.425 5.238 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.064 6.342 -4.751 1.00 0.00 H new ATOM 1375 N LEU A 86 5.458 6.556 -7.640 1.00 0.00 N ATOM 1376 CA LEU A 86 5.077 6.243 -9.013 1.00 0.00 C ATOM 1377 C LEU A 86 6.069 5.263 -9.628 1.00 0.00 C ATOM 1378 O LEU A 86 5.683 4.299 -10.287 1.00 0.00 O ATOM 1379 CB LEU A 86 5.015 7.518 -9.856 1.00 0.00 C ATOM 1380 CG LEU A 86 3.769 8.379 -9.643 1.00 0.00 C ATOM 1381 CD1 LEU A 86 3.786 9.583 -10.572 1.00 0.00 C ATOM 1382 CD2 LEU A 86 2.510 7.552 -9.861 1.00 0.00 C ATOM 0 H LEU A 86 5.655 7.542 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 86 4.089 5.784 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.896 8.122 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.070 7.241 -10.909 1.00 0.00 H new ATOM 0 HG LEU A 86 3.771 8.741 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.892 10.183 -10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.671 10.186 -10.370 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.808 9.243 -11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.632 8.179 -9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.502 7.162 -10.879 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.493 6.722 -9.155 1.00 0.00 H new ATOM 1394 N TRP A 87 7.352 5.517 -9.396 1.00 0.00 N ATOM 1395 CA TRP A 87 8.410 4.664 -9.924 1.00 0.00 C ATOM 1396 C TRP A 87 8.336 3.260 -9.325 1.00 0.00 C ATOM 1397 O TRP A 87 8.450 2.269 -10.042 1.00 0.00 O ATOM 1398 CB TRP A 87 9.781 5.283 -9.627 1.00 0.00 C ATOM 1399 CG TRP A 87 10.925 4.431 -10.081 1.00 0.00 C ATOM 1400 CD1 TRP A 87 11.609 4.538 -11.257 1.00 0.00 C ATOM 1401 CD2 TRP A 87 11.505 3.326 -9.377 1.00 0.00 C ATOM 1402 NE1 TRP A 87 12.578 3.567 -11.329 1.00 0.00 N ATOM 1403 CE2 TRP A 87 12.536 2.811 -10.185 1.00 0.00 C ATOM 1404 CE3 TRP A 87 11.254 2.724 -8.140 1.00 0.00 C ATOM 1405 CZ2 TRP A 87 13.313 1.723 -9.799 1.00 0.00 C ATOM 1406 CZ3 TRP A 87 12.027 1.643 -7.757 1.00 0.00 C ATOM 1407 CH2 TRP A 87 13.045 1.153 -8.584 1.00 0.00 C ATOM 0 H TRP A 87 7.685 6.308 -8.845 1.00 0.00 H new ATOM 0 HA TRP A 87 8.273 4.584 -11.002 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.846 6.256 -10.114 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.869 5.457 -8.555 1.00 0.00 H new ATOM 0 HD1 TRP A 87 11.417 5.278 -12.020 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.224 3.430 -12.107 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.471 3.096 -7.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 14.099 1.342 -10.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 11.842 1.169 -6.804 1.00 0.00 H new ATOM 0 HH2 TRP A 87 13.631 0.307 -8.256 1.00 0.00 H new ATOM 1418 N GLU A 88 8.154 3.181 -8.011 1.00 0.00 N ATOM 1419 CA GLU A 88 8.087 1.894 -7.321 1.00 0.00 C ATOM 1420 C GLU A 88 6.903 1.055 -7.795 1.00 0.00 C ATOM 1421 O GLU A 88 7.065 -0.112 -8.146 1.00 0.00 O ATOM 1422 CB GLU A 88 8.002 2.113 -5.809 1.00 0.00 C ATOM 1423 CG GLU A 88 9.207 1.580 -5.049 1.00 0.00 C ATOM 1424 CD GLU A 88 10.068 2.683 -4.466 1.00 0.00 C ATOM 1425 OE1 GLU A 88 9.544 3.796 -4.250 1.00 0.00 O ATOM 1426 OE2 GLU A 88 11.269 2.433 -4.225 1.00 0.00 O ATOM 0 H GLU A 88 8.050 3.992 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 88 8.998 1.344 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.900 3.180 -5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.101 1.630 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.865 0.929 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.812 0.969 -5.719 1.00 0.00 H new ATOM 1433 N ILE A 89 5.712 1.643 -7.797 1.00 0.00 N ATOM 1434 CA ILE A 89 4.514 0.934 -8.222 1.00 0.00 C ATOM 1435 C ILE A 89 4.699 0.282 -9.592 1.00 0.00 C ATOM 1436 O ILE A 89 4.053 -0.718 -9.906 1.00 0.00 O ATOM 1437 CB ILE A 89 3.297 1.880 -8.256 1.00 0.00 C ATOM 1438 CG1 ILE A 89 2.010 1.093 -8.491 1.00 0.00 C ATOM 1439 CG2 ILE A 89 3.470 2.959 -9.316 1.00 0.00 C ATOM 1440 CD1 ILE A 89 1.027 1.225 -7.353 1.00 0.00 C ATOM 0 H ILE A 89 5.552 2.608 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 89 4.333 0.147 -7.490 1.00 0.00 H new ATOM 0 HB ILE A 89 3.227 2.372 -7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.541 1.439 -9.412 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.254 0.040 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.597 3.611 -9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.361 3.546 -9.095 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.576 2.493 -10.296 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.132 0.644 -7.576 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.481 0.853 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.757 2.273 -7.225 1.00 0.00 H new ATOM 1452 N GLU A 90 5.569 0.866 -10.409 1.00 0.00 N ATOM 1453 CA GLU A 90 5.823 0.356 -11.753 1.00 0.00 C ATOM 1454 C GLU A 90 7.093 -0.495 -11.829 1.00 0.00 C ATOM 1455 O GLU A 90 7.101 -1.551 -12.463 1.00 0.00 O ATOM 1456 CB GLU A 90 5.919 1.520 -12.743 1.00 0.00 C ATOM 1457 CG GLU A 90 4.654 1.729 -13.559 1.00 0.00 C ATOM 1458 CD GLU A 90 4.328 3.195 -13.762 1.00 0.00 C ATOM 1459 OE1 GLU A 90 3.943 3.860 -12.777 1.00 0.00 O ATOM 1460 OE2 GLU A 90 4.455 3.679 -14.906 1.00 0.00 O ATOM 0 H GLU A 90 6.111 1.694 -10.164 1.00 0.00 H new ATOM 0 HA GLU A 90 4.985 -0.290 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.143 2.435 -12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.754 1.342 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.769 1.248 -14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.818 1.240 -13.058 1.00 0.00 H new ATOM 1467 N ASN A 91 8.170 -0.022 -11.207 1.00 0.00 N ATOM 1468 CA ASN A 91 9.443 -0.738 -11.236 1.00 0.00 C ATOM 1469 C ASN A 91 9.485 -1.876 -10.220 1.00 0.00 C ATOM 1470 O ASN A 91 10.143 -2.892 -10.447 1.00 0.00 O ATOM 1471 CB ASN A 91 10.605 0.226 -10.980 1.00 0.00 C ATOM 1472 CG ASN A 91 11.223 0.746 -12.263 1.00 0.00 C ATOM 1473 OD1 ASN A 91 12.159 0.152 -12.800 1.00 0.00 O ATOM 1474 ND2 ASN A 91 10.705 1.863 -12.760 1.00 0.00 N ATOM 0 H ASN A 91 8.187 0.850 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 91 9.542 -1.174 -12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 91 10.250 1.067 -10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.370 -0.281 -10.392 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.082 2.262 -13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.930 2.322 -12.282 1.00 0.00 H new ATOM 1481 N ASN A 92 8.794 -1.705 -9.099 1.00 0.00 N ATOM 1482 CA ASN A 92 8.778 -2.727 -8.059 1.00 0.00 C ATOM 1483 C ASN A 92 7.536 -2.606 -7.180 1.00 0.00 C ATOM 1484 O ASN A 92 7.555 -1.925 -6.155 1.00 0.00 O ATOM 1485 CB ASN A 92 10.037 -2.621 -7.197 1.00 0.00 C ATOM 1486 CG ASN A 92 10.594 -3.980 -6.820 1.00 0.00 C ATOM 1487 OD1 ASN A 92 10.244 -4.996 -7.420 1.00 0.00 O ATOM 1488 ND2 ASN A 92 11.465 -4.005 -5.818 1.00 0.00 N ATOM 0 H ASN A 92 8.241 -0.874 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 92 8.755 -3.701 -8.548 1.00 0.00 H new ATOM 0 HB2 ASN A 92 10.797 -2.056 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.808 -2.061 -6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.872 -4.891 -5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.727 -3.138 -5.348 1.00 0.00 H new ATOM 1495 N PRO A 93 6.435 -3.270 -7.573 1.00 0.00 N ATOM 1496 CA PRO A 93 5.181 -3.237 -6.817 1.00 0.00 C ATOM 1497 C PRO A 93 5.210 -4.145 -5.591 1.00 0.00 C ATOM 1498 O PRO A 93 4.323 -4.076 -4.739 1.00 0.00 O ATOM 1499 CB PRO A 93 4.156 -3.738 -7.831 1.00 0.00 C ATOM 1500 CG PRO A 93 4.924 -4.658 -8.716 1.00 0.00 C ATOM 1501 CD PRO A 93 6.325 -4.105 -8.786 1.00 0.00 C ATOM 0 HA PRO A 93 4.967 -2.244 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.332 -4.256 -7.340 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.722 -2.914 -8.397 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.926 -5.672 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 93 4.475 -4.708 -9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.069 -4.901 -8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.479 -3.518 -9.691 1.00 0.00 H new ATOM 1509 N THR A 94 6.224 -5.003 -5.508 1.00 0.00 N ATOM 1510 CA THR A 94 6.351 -5.926 -4.386 1.00 0.00 C ATOM 1511 C THR A 94 7.387 -5.441 -3.373 1.00 0.00 C ATOM 1512 O THR A 94 7.769 -6.181 -2.467 1.00 0.00 O ATOM 1513 CB THR A 94 6.733 -7.319 -4.889 1.00 0.00 C ATOM 1514 OG1 THR A 94 7.774 -7.237 -5.846 1.00 0.00 O ATOM 1515 CG2 THR A 94 5.580 -8.062 -5.527 1.00 0.00 C ATOM 0 H THR A 94 6.967 -5.077 -6.203 1.00 0.00 H new ATOM 0 HA THR A 94 5.384 -5.971 -3.885 1.00 0.00 H new ATOM 0 HB THR A 94 7.052 -7.869 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.006 -8.138 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.919 -9.042 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.779 -8.185 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.210 -7.495 -6.381 1.00 0.00 H new ATOM 1523 N VAL A 95 7.844 -4.201 -3.526 1.00 0.00 N ATOM 1524 CA VAL A 95 8.839 -3.640 -2.620 1.00 0.00 C ATOM 1525 C VAL A 95 8.315 -3.585 -1.188 1.00 0.00 C ATOM 1526 O VAL A 95 7.133 -3.334 -0.956 1.00 0.00 O ATOM 1527 CB VAL A 95 9.266 -2.224 -3.059 1.00 0.00 C ATOM 1528 CG1 VAL A 95 8.082 -1.269 -3.027 1.00 0.00 C ATOM 1529 CG2 VAL A 95 10.402 -1.712 -2.184 1.00 0.00 C ATOM 0 H VAL A 95 7.542 -3.568 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 95 9.706 -4.299 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 95 9.626 -2.278 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.406 -0.277 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.307 -1.628 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.683 -1.217 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.689 -0.712 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.073 -1.676 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.258 -2.381 -2.270 1.00 0.00 H new ATOM 1539 N LYS A 96 9.206 -3.825 -0.232 1.00 0.00 N ATOM 1540 CA LYS A 96 8.838 -3.805 1.179 1.00 0.00 C ATOM 1541 C LYS A 96 9.987 -3.280 2.033 1.00 0.00 C ATOM 1542 O LYS A 96 11.039 -3.911 2.132 1.00 0.00 O ATOM 1543 CB LYS A 96 8.435 -5.209 1.642 1.00 0.00 C ATOM 1544 CG LYS A 96 6.948 -5.352 1.924 1.00 0.00 C ATOM 1545 CD LYS A 96 6.648 -5.233 3.412 1.00 0.00 C ATOM 1546 CE LYS A 96 5.631 -6.271 3.863 1.00 0.00 C ATOM 1547 NZ LYS A 96 4.321 -5.653 4.207 1.00 0.00 N ATOM 0 H LYS A 96 10.188 -4.036 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 96 7.987 -3.134 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.723 -5.931 0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.993 -5.460 2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.398 -4.585 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.598 -6.317 1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.570 -5.355 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.270 -4.234 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.488 -7.007 3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.019 -6.806 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.759 -6.322 4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.480 -4.785 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.807 -5.420 3.333 1.00 0.00 H new ATOM 1561 N ALA A 97 9.778 -2.122 2.648 1.00 0.00 N ATOM 1562 CA ALA A 97 10.795 -1.511 3.494 1.00 0.00 C ATOM 1563 C ALA A 97 10.686 -2.010 4.931 1.00 0.00 C ATOM 1564 O ALA A 97 11.573 -2.705 5.427 1.00 0.00 O ATOM 1565 CB ALA A 97 10.677 0.006 3.451 1.00 0.00 C ATOM 0 H ALA A 97 8.912 -1.587 2.576 1.00 0.00 H new ATOM 0 HA ALA A 97 11.773 -1.800 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.443 0.449 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.812 0.353 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.691 0.305 3.808 1.00 0.00 H new ATOM 1571 N SER A 98 9.592 -1.651 5.595 1.00 0.00 N ATOM 1572 CA SER A 98 9.367 -2.063 6.975 1.00 0.00 C ATOM 1573 C SER A 98 9.236 -3.580 7.074 1.00 0.00 C ATOM 1574 O SER A 98 9.398 -4.293 6.084 1.00 0.00 O ATOM 1575 CB SER A 98 8.108 -1.395 7.529 1.00 0.00 C ATOM 1576 OG SER A 98 6.958 -1.785 6.798 1.00 0.00 O ATOM 0 H SER A 98 8.848 -1.076 5.200 1.00 0.00 H new ATOM 0 HA SER A 98 10.227 -1.750 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.983 -1.662 8.578 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.219 -0.312 7.487 1.00 0.00 H new ATOM 0 HG SER A 98 6.167 -1.345 7.174 1.00 0.00 H new ATOM 1582 N GLY A 99 8.945 -4.067 8.275 1.00 0.00 N ATOM 1583 CA GLY A 99 8.799 -5.496 8.481 1.00 0.00 C ATOM 1584 C GLY A 99 8.400 -5.841 9.903 1.00 0.00 C ATOM 1585 O GLY A 99 7.501 -6.653 10.123 1.00 0.00 O ATOM 0 H GLY A 99 8.808 -3.498 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.048 -5.884 7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.739 -5.992 8.241 1.00 0.00 H new ATOM 1589 N TYR A 100 9.071 -5.222 10.870 1.00 0.00 N ATOM 1590 CA TYR A 100 8.782 -5.468 12.278 1.00 0.00 C ATOM 1591 C TYR A 100 8.960 -6.943 12.621 1.00 0.00 C ATOM 1592 O TYR A 100 7.996 -7.709 12.634 1.00 0.00 O ATOM 1593 CB TYR A 100 7.358 -5.019 12.613 1.00 0.00 C ATOM 1594 CG TYR A 100 7.292 -3.672 13.290 1.00 0.00 C ATOM 1595 CD1 TYR A 100 7.199 -2.504 12.544 1.00 0.00 C ATOM 1596 CD2 TYR A 100 7.320 -3.567 14.674 1.00 0.00 C ATOM 1597 CE1 TYR A 100 7.138 -1.270 13.159 1.00 0.00 C ATOM 1598 CE2 TYR A 100 7.258 -2.336 15.296 1.00 0.00 C ATOM 1599 CZ TYR A 100 7.167 -1.190 14.536 1.00 0.00 C ATOM 1600 OH TYR A 100 7.105 0.038 15.154 1.00 0.00 O ATOM 0 H TYR A 100 9.818 -4.547 10.704 1.00 0.00 H new ATOM 0 HA TYR A 100 9.487 -4.890 12.875 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.772 -4.984 11.695 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.894 -5.764 13.259 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.174 -2.562 11.466 1.00 0.00 H new ATOM 0 HD2 TYR A 100 7.391 -4.462 15.274 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.068 -0.371 12.565 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.281 -2.271 16.374 1.00 0.00 H new ATOM 0 HH TYR A 100 7.136 -0.083 16.126 1.00 0.00 H new ATOM 1610 N GLN A 101 10.200 -7.336 12.896 1.00 0.00 N ATOM 1611 CA GLN A 101 10.504 -8.720 13.238 1.00 0.00 C ATOM 1612 C GLN A 101 10.877 -8.847 14.712 1.00 0.00 C ATOM 1613 O GLN A 101 12.039 -8.693 15.085 1.00 0.00 O ATOM 1614 CB GLN A 101 11.644 -9.246 12.361 1.00 0.00 C ATOM 1615 CG GLN A 101 11.272 -10.483 11.559 1.00 0.00 C ATOM 1616 CD GLN A 101 12.196 -11.655 11.829 1.00 0.00 C ATOM 1617 OE1 GLN A 101 12.641 -12.335 10.904 1.00 0.00 O ATOM 1618 NE2 GLN A 101 12.491 -11.896 13.101 1.00 0.00 N ATOM 0 H GLN A 101 11.010 -6.716 12.889 1.00 0.00 H new ATOM 0 HA GLN A 101 9.611 -9.318 13.056 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.957 -8.459 11.675 1.00 0.00 H new ATOM 0 HB3 GLN A 101 12.501 -9.477 12.993 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.248 -10.771 11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 101 11.297 -10.243 10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 101 12.100 -11.307 13.836 1.00 0.00 H new ATOM 0 HE22 GLN A 101 13.109 -12.670 13.343 1.00 0.00 H new ATOM 1627 N SER A 102 9.882 -9.130 15.546 1.00 0.00 N ATOM 1628 CA SER A 102 10.104 -9.278 16.980 1.00 0.00 C ATOM 1629 C SER A 102 9.615 -10.637 17.469 1.00 0.00 C ATOM 1630 O SER A 102 8.421 -10.835 17.693 1.00 0.00 O ATOM 1631 CB SER A 102 9.390 -8.161 17.745 1.00 0.00 C ATOM 1632 OG SER A 102 9.549 -6.914 17.094 1.00 0.00 O ATOM 0 H SER A 102 8.914 -9.262 15.254 1.00 0.00 H new ATOM 0 HA SER A 102 11.176 -9.210 17.166 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.329 -8.396 17.832 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.787 -8.099 18.758 1.00 0.00 H new ATOM 0 HG SER A 102 9.082 -6.218 17.602 1.00 0.00 H new ATOM 1638 N SER A 103 10.546 -11.571 17.633 1.00 0.00 N ATOM 1639 CA SER A 103 10.209 -12.912 18.097 1.00 0.00 C ATOM 1640 C SER A 103 11.415 -13.580 18.750 1.00 0.00 C ATOM 1641 O SER A 103 11.305 -14.160 19.829 1.00 0.00 O ATOM 1642 CB SER A 103 9.709 -13.765 16.930 1.00 0.00 C ATOM 1643 OG SER A 103 10.326 -13.380 15.714 1.00 0.00 O ATOM 0 H SER A 103 11.539 -11.424 17.452 1.00 0.00 H new ATOM 0 HA SER A 103 9.417 -12.825 18.841 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.916 -14.816 17.129 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.627 -13.665 16.840 1.00 0.00 H new ATOM 0 HG SER A 103 9.990 -13.942 14.985 1.00 0.00 H new ATOM 1649 N GLN A 104 12.564 -13.494 18.087 1.00 0.00 N ATOM 1650 CA GLN A 104 13.791 -14.090 18.604 1.00 0.00 C ATOM 1651 C GLN A 104 14.767 -13.015 19.069 1.00 0.00 C ATOM 1652 O GLN A 104 14.493 -11.820 18.948 1.00 0.00 O ATOM 1653 CB GLN A 104 14.447 -14.963 17.533 1.00 0.00 C ATOM 1654 CG GLN A 104 13.503 -15.979 16.913 1.00 0.00 C ATOM 1655 CD GLN A 104 14.165 -16.804 15.827 1.00 0.00 C ATOM 1656 OE1 GLN A 104 15.097 -16.348 15.166 1.00 0.00 O ATOM 1657 NE2 GLN A 104 13.683 -18.027 15.638 1.00 0.00 N ATOM 0 H GLN A 104 12.671 -13.018 17.191 1.00 0.00 H new ATOM 0 HA GLN A 104 13.530 -14.711 19.461 1.00 0.00 H new ATOM 0 HB2 GLN A 104 14.844 -14.321 16.746 1.00 0.00 H new ATOM 0 HB3 GLN A 104 15.294 -15.489 17.974 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.129 -16.644 17.692 1.00 0.00 H new ATOM 0 HG3 GLN A 104 12.640 -15.460 16.495 1.00 0.00 H new ATOM 0 HE21 GLN A 104 12.909 -18.364 16.210 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.087 -18.629 14.921 1.00 0.00 H new ATOM 1666 N LYS A 105 15.905 -13.445 19.601 1.00 0.00 N ATOM 1667 CA LYS A 105 16.922 -12.520 20.086 1.00 0.00 C ATOM 1668 C LYS A 105 17.938 -12.197 18.993 1.00 0.00 C ATOM 1669 O LYS A 105 18.573 -11.143 19.015 1.00 0.00 O ATOM 1670 CB LYS A 105 17.637 -13.107 21.304 1.00 0.00 C ATOM 1671 CG LYS A 105 18.065 -12.061 22.322 1.00 0.00 C ATOM 1672 CD LYS A 105 19.438 -11.496 21.997 1.00 0.00 C ATOM 1673 CE LYS A 105 19.528 -10.018 22.342 1.00 0.00 C ATOM 1674 NZ LYS A 105 20.158 -9.796 23.674 1.00 0.00 N ATOM 0 H LYS A 105 16.147 -14.430 19.708 1.00 0.00 H new ATOM 0 HA LYS A 105 16.423 -11.595 20.375 1.00 0.00 H new ATOM 0 HB2 LYS A 105 16.978 -13.826 21.790 1.00 0.00 H new ATOM 0 HB3 LYS A 105 18.517 -13.657 20.969 1.00 0.00 H new ATOM 0 HG2 LYS A 105 17.334 -11.253 22.344 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.079 -12.505 23.317 1.00 0.00 H new ATOM 0 HD2 LYS A 105 20.199 -12.047 22.549 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.649 -11.637 20.937 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.106 -9.501 21.576 1.00 0.00 H new ATOM 0 HE3 LYS A 105 18.529 -9.582 22.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.201 -8.776 23.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 19.593 -10.268 24.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.121 -10.189 23.672 1.00 0.00 H new ATOM 1688 N LYS A 106 18.086 -13.111 18.037 1.00 0.00 N ATOM 1689 CA LYS A 106 19.027 -12.922 16.938 1.00 0.00 C ATOM 1690 C LYS A 106 20.459 -12.837 17.457 1.00 0.00 C ATOM 1691 O LYS A 106 20.707 -13.003 18.650 1.00 0.00 O ATOM 1692 CB LYS A 106 18.680 -11.656 16.152 1.00 0.00 C ATOM 1693 CG LYS A 106 17.300 -11.694 15.516 1.00 0.00 C ATOM 1694 CD LYS A 106 17.378 -11.592 14.001 1.00 0.00 C ATOM 1695 CE LYS A 106 16.007 -11.743 13.358 1.00 0.00 C ATOM 1696 NZ LYS A 106 15.901 -12.995 12.560 1.00 0.00 N ATOM 0 H LYS A 106 17.567 -13.988 18.002 1.00 0.00 H new ATOM 0 HA LYS A 106 18.950 -13.784 16.275 1.00 0.00 H new ATOM 0 HB2 LYS A 106 18.740 -10.796 16.819 1.00 0.00 H new ATOM 0 HB3 LYS A 106 19.426 -11.507 15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 106 16.797 -12.620 15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 106 16.697 -10.874 15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.807 -10.630 13.722 1.00 0.00 H new ATOM 0 HD3 LYS A 106 18.047 -12.362 13.618 1.00 0.00 H new ATOM 0 HE2 LYS A 106 15.241 -11.741 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 106 15.812 -10.885 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.952 -13.059 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 16.615 -12.986 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.062 -13.816 13.178 1.00 0.00 H new ATOM 1710 N SER A 107 21.397 -12.577 16.552 1.00 0.00 N ATOM 1711 CA SER A 107 22.806 -12.469 16.919 1.00 0.00 C ATOM 1712 C SER A 107 23.328 -13.798 17.457 1.00 0.00 C ATOM 1713 O SER A 107 23.153 -14.116 18.632 1.00 0.00 O ATOM 1714 CB SER A 107 23.002 -11.369 17.964 1.00 0.00 C ATOM 1715 OG SER A 107 24.235 -10.697 17.772 1.00 0.00 O ATOM 0 H SER A 107 21.208 -12.437 15.559 1.00 0.00 H new ATOM 0 HA SER A 107 23.371 -12.211 16.023 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.181 -10.654 17.903 1.00 0.00 H new ATOM 0 HB3 SER A 107 22.973 -11.803 18.963 1.00 0.00 H new ATOM 0 HG SER A 107 24.336 -9.998 18.451 1.00 0.00 H new ATOM 1721 N CYS A 108 23.972 -14.569 16.586 1.00 0.00 N ATOM 1722 CA CYS A 108 24.521 -15.864 16.972 1.00 0.00 C ATOM 1723 C CYS A 108 23.414 -16.814 17.420 1.00 0.00 C ATOM 1724 O CYS A 108 23.241 -17.064 18.612 1.00 0.00 O ATOM 1725 CB CYS A 108 25.549 -15.693 18.093 1.00 0.00 C ATOM 1726 SG CYS A 108 26.343 -17.234 18.608 1.00 0.00 S ATOM 0 H CYS A 108 24.126 -14.320 15.609 1.00 0.00 H new ATOM 0 HA CYS A 108 25.013 -16.296 16.101 1.00 0.00 H new ATOM 0 HB2 CYS A 108 26.317 -14.994 17.763 1.00 0.00 H new ATOM 0 HB3 CYS A 108 25.058 -15.244 18.956 1.00 0.00 H new ATOM 0 HG CYS A 108 27.196 -16.986 19.557 1.00 0.00 H new ATOM 1732 N ALA A 109 22.668 -17.340 16.454 1.00 0.00 N ATOM 1733 CA ALA A 109 21.578 -18.262 16.747 1.00 0.00 C ATOM 1734 C ALA A 109 21.237 -19.114 15.530 1.00 0.00 C ATOM 1735 O ALA A 109 20.562 -18.656 14.608 1.00 0.00 O ATOM 1736 CB ALA A 109 20.350 -17.495 17.217 1.00 0.00 C ATOM 0 H ALA A 109 22.799 -17.143 15.462 1.00 0.00 H new ATOM 0 HA ALA A 109 21.904 -18.929 17.545 1.00 0.00 H new ATOM 0 HB1 ALA A 109 19.544 -18.196 17.432 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.594 -16.935 18.119 1.00 0.00 H new ATOM 0 HB3 ALA A 109 20.032 -16.804 16.436 1.00 0.00 H new ATOM 1742 N GLU A 110 21.708 -20.357 15.533 1.00 0.00 N ATOM 1743 CA GLU A 110 21.453 -21.274 14.428 1.00 0.00 C ATOM 1744 C GLU A 110 20.668 -22.493 14.903 1.00 0.00 C ATOM 1745 O GLU A 110 19.463 -22.414 15.140 1.00 0.00 O ATOM 1746 CB GLU A 110 22.772 -21.719 13.793 1.00 0.00 C ATOM 1747 CG GLU A 110 23.805 -22.192 14.804 1.00 0.00 C ATOM 1748 CD GLU A 110 24.385 -23.549 14.456 1.00 0.00 C ATOM 1749 OE1 GLU A 110 24.902 -23.702 13.329 1.00 0.00 O ATOM 1750 OE2 GLU A 110 24.323 -24.458 15.309 1.00 0.00 O ATOM 0 H GLU A 110 22.268 -20.752 16.288 1.00 0.00 H new ATOM 0 HA GLU A 110 20.857 -20.748 13.682 1.00 0.00 H new ATOM 0 HB2 GLU A 110 22.572 -22.525 13.086 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.188 -20.890 13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.611 -21.461 14.863 1.00 0.00 H new ATOM 0 HG3 GLU A 110 23.346 -22.240 15.791 1.00 0.00 H new TER 1757 GLU A 110