USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 545 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 92 ASN : amide:sc= 1.06 K(o=2.2,f=1.6) USER MOD Set 1.2: A 93 GLN : amide:sc= 1.17 K(o=2.2,f=1.6) USER MOD Single : A 30 SER OG : rot 120:sc= 1.23 USER MOD Single : A 31 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.32) USER MOD Single : A 32 THR OG1 : rot 141:sc= 0.858 USER MOD Single : A 44 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0067 USER MOD Single : A 49 ASN : amide:sc= 1 K(o=1,f=-0.0035) USER MOD Single : A 58 MET CE :methyl 156:sc= -1.68 (180deg=-3.94!) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 2.07 (180deg=1.75) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= 1.17 (180deg=1.01) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot -119:sc= 2.23 USER MOD Single : A 80 LYS NZ :NH3+ 141:sc= 1.25 (180deg=0.53) USER MOD Single : A 86 HIS : no HE2:sc= 0.586 K(o=0.59,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 169:sc= 0.953 (180deg=0.778) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0847 USER MOD ----------------------------------------------------------------- ATOM 35 N SER A 30 5.695 10.264 5.045 1.00 0.00 N ATOM 36 CA SER A 30 5.468 10.281 3.593 1.00 0.00 C ATOM 37 C SER A 30 4.092 10.751 3.112 1.00 0.00 C ATOM 38 O SER A 30 3.952 11.041 1.928 1.00 0.00 O ATOM 39 CB SER A 30 5.606 8.870 3.039 1.00 0.00 C ATOM 40 OG SER A 30 6.761 8.193 3.496 1.00 0.00 O ATOM 0 HA SER A 30 6.210 10.998 3.241 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.724 8.292 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.629 8.917 1.950 1.00 0.00 H new ATOM 0 HG SER A 30 6.496 7.379 3.972 1.00 0.00 H new ATOM 46 N ASN A 31 3.072 10.760 3.973 1.00 0.00 N ATOM 47 CA ASN A 31 1.653 11.049 3.703 1.00 0.00 C ATOM 48 C ASN A 31 0.958 10.261 2.564 1.00 0.00 C ATOM 49 O ASN A 31 -0.259 10.391 2.421 1.00 0.00 O ATOM 50 CB ASN A 31 1.367 12.568 3.695 1.00 0.00 C ATOM 51 CG ASN A 31 2.274 13.426 2.825 1.00 0.00 C ATOM 52 OD1 ASN A 31 1.936 13.810 1.719 1.00 0.00 O ATOM 53 ND2 ASN A 31 3.433 13.797 3.325 1.00 0.00 N ATOM 0 H ASN A 31 3.225 10.549 4.959 1.00 0.00 H new ATOM 0 HA ASN A 31 1.143 10.619 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.338 12.720 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.433 12.933 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.049 14.406 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.715 13.475 4.251 1.00 0.00 H new ATOM 60 N THR A 32 1.655 9.407 1.792 1.00 0.00 N ATOM 61 CA THR A 32 1.103 8.824 0.552 1.00 0.00 C ATOM 62 C THR A 32 1.432 7.346 0.234 1.00 0.00 C ATOM 63 O THR A 32 1.378 6.976 -0.934 1.00 0.00 O ATOM 64 CB THR A 32 1.467 9.697 -0.665 1.00 0.00 C ATOM 65 OG1 THR A 32 2.825 9.537 -1.019 1.00 0.00 O ATOM 66 CG2 THR A 32 1.243 11.199 -0.503 1.00 0.00 C ATOM 0 H THR A 32 2.605 9.104 2.005 1.00 0.00 H new ATOM 0 HA THR A 32 0.032 8.816 0.755 1.00 0.00 H new ATOM 0 HB THR A 32 0.780 9.336 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.910 9.532 -1.995 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.533 11.711 -1.420 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.189 11.390 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.846 11.570 0.326 1.00 0.00 H new ATOM 74 N ARG A 33 1.763 6.465 1.202 1.00 0.00 N ATOM 75 CA ARG A 33 2.292 5.113 0.875 1.00 0.00 C ATOM 76 C ARG A 33 1.712 3.940 1.642 1.00 0.00 C ATOM 77 O ARG A 33 1.696 3.869 2.867 1.00 0.00 O ATOM 78 CB ARG A 33 3.799 4.986 1.072 1.00 0.00 C ATOM 79 CG ARG A 33 4.715 5.570 0.005 1.00 0.00 C ATOM 80 CD ARG A 33 5.331 6.892 0.448 1.00 0.00 C ATOM 81 NE ARG A 33 6.377 7.282 -0.499 1.00 0.00 N ATOM 82 CZ ARG A 33 7.566 7.807 -0.295 1.00 0.00 C ATOM 83 NH1 ARG A 33 8.021 8.185 0.862 1.00 0.00 N ATOM 84 NH2 ARG A 33 8.336 7.936 -1.330 1.00 0.00 N ATOM 0 H ARG A 33 1.677 6.655 2.200 1.00 0.00 H new ATOM 0 HA ARG A 33 1.986 5.050 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.052 5.457 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.034 3.926 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.508 4.858 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.150 5.722 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.564 7.665 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.750 6.793 1.449 1.00 0.00 H new ATOM 0 HE ARG A 33 6.146 7.120 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.442 8.083 1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.957 8.584 0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.010 7.636 -2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.268 8.337 -1.226 1.00 0.00 H new ATOM 98 N LEU A 34 1.379 2.909 0.900 1.00 0.00 N ATOM 99 CA LEU A 34 0.641 1.774 1.396 1.00 0.00 C ATOM 100 C LEU A 34 1.569 0.566 1.496 1.00 0.00 C ATOM 101 O LEU A 34 1.975 -0.019 0.490 1.00 0.00 O ATOM 102 CB LEU A 34 -0.604 1.552 0.537 1.00 0.00 C ATOM 103 CG LEU A 34 -1.407 2.800 0.080 1.00 0.00 C ATOM 104 CD1 LEU A 34 -1.618 3.903 1.122 1.00 0.00 C ATOM 105 CD2 LEU A 34 -0.822 3.416 -1.189 1.00 0.00 C ATOM 0 H LEU A 34 1.620 2.836 -0.088 1.00 0.00 H new ATOM 0 HA LEU A 34 0.274 1.954 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.300 1.005 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.282 0.904 1.093 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.397 2.385 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.192 4.717 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.162 3.498 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.651 4.280 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.412 4.286 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.208 3.721 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.844 2.681 -1.994 1.00 0.00 H new ATOM 117 N PHE A 35 1.924 0.239 2.729 1.00 0.00 N ATOM 118 CA PHE A 35 2.901 -0.770 3.107 1.00 0.00 C ATOM 119 C PHE A 35 2.130 -2.059 3.350 1.00 0.00 C ATOM 120 O PHE A 35 1.424 -2.285 4.329 1.00 0.00 O ATOM 121 CB PHE A 35 3.774 -0.251 4.243 1.00 0.00 C ATOM 122 CG PHE A 35 4.844 -1.190 4.770 1.00 0.00 C ATOM 123 CD1 PHE A 35 5.394 -2.210 3.957 1.00 0.00 C ATOM 124 CD2 PHE A 35 5.365 -0.978 6.058 1.00 0.00 C ATOM 125 CE1 PHE A 35 6.444 -3.011 4.437 1.00 0.00 C ATOM 126 CE2 PHE A 35 6.431 -1.764 6.523 1.00 0.00 C ATOM 127 CZ PHE A 35 6.974 -2.777 5.713 1.00 0.00 C ATOM 0 H PHE A 35 1.513 0.699 3.541 1.00 0.00 H new ATOM 0 HA PHE A 35 3.631 -0.996 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.261 0.664 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.123 0.022 5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.005 -2.373 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.945 -0.210 6.690 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.842 -3.806 3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.836 -1.590 7.509 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.799 -3.374 6.074 1.00 0.00 H new ATOM 137 N VAL A 36 2.201 -2.874 2.317 1.00 0.00 N ATOM 138 CA VAL A 36 1.287 -3.962 2.040 1.00 0.00 C ATOM 139 C VAL A 36 2.121 -5.218 1.818 1.00 0.00 C ATOM 140 O VAL A 36 2.503 -5.600 0.720 1.00 0.00 O ATOM 141 CB VAL A 36 0.434 -3.396 0.881 1.00 0.00 C ATOM 142 CG1 VAL A 36 -0.407 -4.300 0.035 1.00 0.00 C ATOM 143 CG2 VAL A 36 -0.595 -2.404 1.471 1.00 0.00 C ATOM 0 H VAL A 36 2.935 -2.791 1.613 1.00 0.00 H new ATOM 0 HA VAL A 36 0.595 -4.286 2.817 1.00 0.00 H new ATOM 0 HB VAL A 36 1.217 -3.015 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.927 -3.711 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.230 -5.037 -0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.137 -4.811 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.207 -1.994 0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.234 -2.924 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.070 -1.594 1.977 1.00 0.00 H new ATOM 153 N ARG A 37 2.454 -5.824 2.958 1.00 0.00 N ATOM 154 CA ARG A 37 3.366 -6.969 3.131 1.00 0.00 C ATOM 155 C ARG A 37 2.801 -8.292 3.716 1.00 0.00 C ATOM 156 O ARG A 37 3.561 -9.261 3.716 1.00 0.00 O ATOM 157 CB ARG A 37 4.594 -6.505 3.933 1.00 0.00 C ATOM 158 CG ARG A 37 4.283 -5.869 5.293 1.00 0.00 C ATOM 159 CD ARG A 37 5.387 -6.232 6.299 1.00 0.00 C ATOM 160 NE ARG A 37 5.579 -5.244 7.388 1.00 0.00 N ATOM 161 CZ ARG A 37 4.718 -4.490 8.048 1.00 0.00 C ATOM 162 NH1 ARG A 37 3.422 -4.518 7.929 1.00 0.00 N ATOM 163 NH2 ARG A 37 5.150 -3.623 8.894 1.00 0.00 N ATOM 0 H ARG A 37 2.070 -5.511 3.850 1.00 0.00 H new ATOM 0 HA ARG A 37 3.607 -7.265 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.249 -7.362 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.150 -5.785 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.212 -4.786 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.317 -6.219 5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.153 -7.200 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.328 -6.347 5.760 1.00 0.00 H new ATOM 0 HE ARG A 37 6.549 -5.125 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.984 -5.168 7.276 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.845 -3.890 8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.152 -3.520 9.052 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.490 -3.038 9.407 1.00 0.00 H new ATOM 177 N PRO A 38 1.539 -8.415 4.188 1.00 0.00 N ATOM 178 CA PRO A 38 0.961 -9.685 4.668 1.00 0.00 C ATOM 179 C PRO A 38 1.072 -10.932 3.774 1.00 0.00 C ATOM 180 O PRO A 38 1.006 -12.056 4.274 1.00 0.00 O ATOM 181 CB PRO A 38 -0.520 -9.362 4.853 1.00 0.00 C ATOM 182 CG PRO A 38 -0.438 -7.955 5.417 1.00 0.00 C ATOM 183 CD PRO A 38 0.594 -7.342 4.492 1.00 0.00 C ATOM 0 HA PRO A 38 1.530 -9.979 5.550 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.071 -9.399 3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.011 -10.053 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.395 -7.435 5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.118 -7.945 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.128 -6.961 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.097 -6.501 4.969 1.00 0.00 H new ATOM 191 N PHE A 39 1.181 -10.743 2.461 1.00 0.00 N ATOM 192 CA PHE A 39 1.068 -11.790 1.450 1.00 0.00 C ATOM 193 C PHE A 39 2.358 -12.578 1.206 1.00 0.00 C ATOM 194 O PHE A 39 3.458 -12.102 1.511 1.00 0.00 O ATOM 195 CB PHE A 39 0.745 -11.168 0.077 1.00 0.00 C ATOM 196 CG PHE A 39 -0.070 -9.904 0.088 1.00 0.00 C ATOM 197 CD1 PHE A 39 0.545 -8.691 0.430 1.00 0.00 C ATOM 198 CD2 PHE A 39 -1.417 -9.931 -0.294 1.00 0.00 C ATOM 199 CE1 PHE A 39 -0.231 -7.532 0.493 1.00 0.00 C ATOM 200 CE2 PHE A 39 -2.157 -8.740 -0.347 1.00 0.00 C ATOM 201 CZ PHE A 39 -1.571 -7.541 0.072 1.00 0.00 C ATOM 0 H PHE A 39 1.357 -9.823 2.058 1.00 0.00 H new ATOM 0 HA PHE A 39 0.294 -12.451 1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.685 -10.963 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.214 -11.911 -0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.603 -8.654 0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.887 -10.870 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.204 -6.618 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.174 -8.749 -0.710 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.146 -6.627 0.072 1.00 0.00 H new ATOM 211 N PRO A 40 2.233 -13.753 0.571 1.00 0.00 N ATOM 212 CA PRO A 40 3.365 -14.420 -0.035 1.00 0.00 C ATOM 213 C PRO A 40 3.615 -13.863 -1.450 1.00 0.00 C ATOM 214 O PRO A 40 2.921 -12.952 -1.916 1.00 0.00 O ATOM 215 CB PRO A 40 2.978 -15.903 -0.038 1.00 0.00 C ATOM 216 CG PRO A 40 1.462 -15.849 -0.243 1.00 0.00 C ATOM 217 CD PRO A 40 1.044 -14.595 0.514 1.00 0.00 C ATOM 0 HA PRO A 40 4.300 -14.264 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.476 -16.451 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.244 -16.394 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.202 -15.785 -1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.972 -16.739 0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.227 -14.084 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.691 -14.842 1.515 1.00 0.00 H new ATOM 225 N LEU A 41 4.600 -14.420 -2.167 1.00 0.00 N ATOM 226 CA LEU A 41 5.000 -14.013 -3.526 1.00 0.00 C ATOM 227 C LEU A 41 3.865 -14.089 -4.574 1.00 0.00 C ATOM 228 O LEU A 41 4.000 -13.563 -5.678 1.00 0.00 O ATOM 229 CB LEU A 41 6.210 -14.854 -3.982 1.00 0.00 C ATOM 230 CG LEU A 41 7.574 -14.452 -3.398 1.00 0.00 C ATOM 231 CD1 LEU A 41 7.683 -14.575 -1.880 1.00 0.00 C ATOM 232 CD2 LEU A 41 8.674 -15.314 -4.019 1.00 0.00 C ATOM 0 H LEU A 41 5.161 -15.192 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 41 5.268 -12.958 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.020 -15.896 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.274 -14.802 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 41 7.687 -13.395 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.680 -14.270 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.939 -13.933 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.509 -15.610 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.640 -15.027 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.482 -16.364 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.686 -15.167 -5.099 1.00 0.00 H new ATOM 244 N ASP A 42 2.747 -14.735 -4.238 1.00 0.00 N ATOM 245 CA ASP A 42 1.505 -14.772 -5.009 1.00 0.00 C ATOM 246 C ASP A 42 0.836 -13.387 -5.194 1.00 0.00 C ATOM 247 O ASP A 42 0.121 -13.201 -6.181 1.00 0.00 O ATOM 248 CB ASP A 42 0.526 -15.750 -4.346 1.00 0.00 C ATOM 249 CG ASP A 42 1.122 -17.158 -4.149 1.00 0.00 C ATOM 250 OD1 ASP A 42 1.938 -17.354 -3.218 1.00 0.00 O ATOM 251 OD2 ASP A 42 0.768 -18.080 -4.928 1.00 0.00 O ATOM 0 H ASP A 42 2.681 -15.275 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 42 1.768 -15.109 -6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.222 -15.351 -3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.374 -15.825 -4.957 1.00 0.00 H new ATOM 256 N VAL A 43 1.072 -12.402 -4.307 1.00 0.00 N ATOM 257 CA VAL A 43 0.651 -11.005 -4.565 1.00 0.00 C ATOM 258 C VAL A 43 1.429 -10.435 -5.752 1.00 0.00 C ATOM 259 O VAL A 43 2.568 -10.825 -6.018 1.00 0.00 O ATOM 260 CB VAL A 43 0.765 -10.070 -3.347 1.00 0.00 C ATOM 261 CG1 VAL A 43 2.206 -9.667 -3.024 1.00 0.00 C ATOM 262 CG2 VAL A 43 -0.062 -8.779 -3.498 1.00 0.00 C ATOM 0 H VAL A 43 1.546 -12.541 -3.415 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.413 -11.051 -4.797 1.00 0.00 H new ATOM 0 HB VAL A 43 0.365 -10.667 -2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.214 -9.008 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.794 -10.559 -2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.638 -9.146 -3.878 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.060 -8.162 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.283 -8.226 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.115 -9.034 -3.622 1.00 0.00 H new ATOM 272 N GLN A 44 0.815 -9.495 -6.460 1.00 0.00 N ATOM 273 CA GLN A 44 1.386 -8.786 -7.599 1.00 0.00 C ATOM 274 C GLN A 44 0.411 -7.700 -8.045 1.00 0.00 C ATOM 275 O GLN A 44 -0.652 -7.509 -7.445 1.00 0.00 O ATOM 276 CB GLN A 44 1.829 -9.742 -8.738 1.00 0.00 C ATOM 277 CG GLN A 44 0.934 -10.965 -9.047 1.00 0.00 C ATOM 278 CD GLN A 44 1.762 -12.236 -9.262 1.00 0.00 C ATOM 279 OE1 GLN A 44 1.759 -12.842 -10.332 1.00 0.00 O ATOM 280 NE2 GLN A 44 2.517 -12.682 -8.277 1.00 0.00 N ATOM 0 H GLN A 44 -0.136 -9.193 -6.247 1.00 0.00 H new ATOM 0 HA GLN A 44 2.313 -8.300 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.919 -9.154 -9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.826 -10.110 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.235 -11.121 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.339 -10.764 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.531 -12.191 -7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.087 -13.518 -8.409 1.00 0.00 H new ATOM 289 N GLU A 45 0.798 -6.948 -9.075 1.00 0.00 N ATOM 290 CA GLU A 45 0.057 -5.789 -9.567 1.00 0.00 C ATOM 291 C GLU A 45 -1.425 -6.094 -9.833 1.00 0.00 C ATOM 292 O GLU A 45 -2.254 -5.218 -9.652 1.00 0.00 O ATOM 293 CB GLU A 45 0.778 -5.273 -10.823 1.00 0.00 C ATOM 294 CG GLU A 45 0.193 -3.995 -11.426 1.00 0.00 C ATOM 295 CD GLU A 45 0.314 -2.789 -10.491 1.00 0.00 C ATOM 296 OE1 GLU A 45 -0.588 -2.592 -9.641 1.00 0.00 O ATOM 297 OE2 GLU A 45 1.303 -2.033 -10.634 1.00 0.00 O ATOM 0 H GLU A 45 1.653 -7.132 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 45 0.043 -5.017 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.824 -5.094 -10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.760 -6.056 -11.581 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.703 -3.775 -12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.858 -4.159 -11.665 1.00 0.00 H new ATOM 304 N SER A 46 -1.806 -7.325 -10.191 1.00 0.00 N ATOM 305 CA SER A 46 -3.213 -7.729 -10.335 1.00 0.00 C ATOM 306 C SER A 46 -4.006 -7.796 -9.009 1.00 0.00 C ATOM 307 O SER A 46 -5.188 -7.449 -8.987 1.00 0.00 O ATOM 308 CB SER A 46 -3.282 -9.102 -11.014 1.00 0.00 C ATOM 309 OG SER A 46 -2.435 -10.036 -10.353 1.00 0.00 O ATOM 0 H SER A 46 -1.144 -8.075 -10.391 1.00 0.00 H new ATOM 0 HA SER A 46 -3.681 -6.950 -10.936 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.309 -9.466 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.985 -9.011 -12.059 1.00 0.00 H new ATOM 0 HG SER A 46 -2.495 -10.906 -10.801 1.00 0.00 H new ATOM 315 N GLU A 47 -3.379 -8.181 -7.894 1.00 0.00 N ATOM 316 CA GLU A 47 -4.009 -8.253 -6.574 1.00 0.00 C ATOM 317 C GLU A 47 -4.124 -6.838 -6.015 1.00 0.00 C ATOM 318 O GLU A 47 -5.158 -6.409 -5.493 1.00 0.00 O ATOM 319 CB GLU A 47 -3.110 -9.074 -5.632 1.00 0.00 C ATOM 320 CG GLU A 47 -3.483 -10.554 -5.503 1.00 0.00 C ATOM 321 CD GLU A 47 -3.122 -11.196 -4.143 1.00 0.00 C ATOM 322 OE1 GLU A 47 -3.318 -10.551 -3.092 1.00 0.00 O ATOM 323 OE2 GLU A 47 -2.681 -12.370 -4.117 1.00 0.00 O ATOM 0 H GLU A 47 -2.397 -8.457 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.992 -8.717 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.081 -9.004 -5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.139 -8.621 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.556 -10.660 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.984 -11.111 -6.296 1.00 0.00 H new ATOM 330 N LEU A 48 -3.043 -6.081 -6.191 1.00 0.00 N ATOM 331 CA LEU A 48 -3.002 -4.677 -5.864 1.00 0.00 C ATOM 332 C LEU A 48 -4.000 -3.907 -6.746 1.00 0.00 C ATOM 333 O LEU A 48 -4.694 -3.032 -6.253 1.00 0.00 O ATOM 334 CB LEU A 48 -1.538 -4.238 -5.984 1.00 0.00 C ATOM 335 CG LEU A 48 -0.605 -4.967 -4.985 1.00 0.00 C ATOM 336 CD1 LEU A 48 0.785 -5.288 -5.522 1.00 0.00 C ATOM 337 CD2 LEU A 48 -0.338 -4.071 -3.807 1.00 0.00 C ATOM 0 H LEU A 48 -2.166 -6.439 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.324 -4.461 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.190 -4.425 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.472 -3.163 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.132 -5.893 -4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.364 -5.797 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.697 -5.933 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.289 -4.363 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.318 -4.582 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.141 -3.153 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.279 -3.827 -3.314 1.00 0.00 H new ATOM 349 N ASN A 49 -4.212 -4.291 -8.007 1.00 0.00 N ATOM 350 CA ASN A 49 -5.290 -3.717 -8.834 1.00 0.00 C ATOM 351 C ASN A 49 -6.684 -4.014 -8.263 1.00 0.00 C ATOM 352 O ASN A 49 -7.510 -3.108 -8.163 1.00 0.00 O ATOM 353 CB ASN A 49 -5.230 -4.207 -10.295 1.00 0.00 C ATOM 354 CG ASN A 49 -4.551 -3.220 -11.224 1.00 0.00 C ATOM 355 OD1 ASN A 49 -5.174 -2.572 -12.050 1.00 0.00 O ATOM 356 ND2 ASN A 49 -3.257 -3.079 -11.124 1.00 0.00 N ATOM 0 H ASN A 49 -3.653 -4.998 -8.484 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.125 -2.640 -8.816 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.698 -5.157 -10.332 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.243 -4.395 -10.651 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.766 -2.427 -11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.737 -3.621 -10.434 1.00 0.00 H new ATOM 363 N GLU A 50 -6.949 -5.261 -7.868 1.00 0.00 N ATOM 364 CA GLU A 50 -8.221 -5.656 -7.239 1.00 0.00 C ATOM 365 C GLU A 50 -8.537 -4.849 -5.965 1.00 0.00 C ATOM 366 O GLU A 50 -9.696 -4.504 -5.717 1.00 0.00 O ATOM 367 CB GLU A 50 -8.183 -7.150 -6.900 1.00 0.00 C ATOM 368 CG GLU A 50 -8.505 -8.022 -8.117 1.00 0.00 C ATOM 369 CD GLU A 50 -8.375 -9.535 -7.836 1.00 0.00 C ATOM 370 OE1 GLU A 50 -7.439 -9.967 -7.120 1.00 0.00 O ATOM 371 OE2 GLU A 50 -9.212 -10.317 -8.346 1.00 0.00 O ATOM 0 H GLU A 50 -6.289 -6.031 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.012 -5.444 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.196 -7.410 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.898 -7.360 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.520 -7.807 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.837 -7.753 -8.935 1.00 0.00 H new ATOM 378 N ILE A 51 -7.510 -4.535 -5.175 1.00 0.00 N ATOM 379 CA ILE A 51 -7.654 -3.866 -3.874 1.00 0.00 C ATOM 380 C ILE A 51 -7.600 -2.329 -3.988 1.00 0.00 C ATOM 381 O ILE A 51 -8.357 -1.655 -3.292 1.00 0.00 O ATOM 382 CB ILE A 51 -6.545 -4.396 -2.946 1.00 0.00 C ATOM 383 CG1 ILE A 51 -6.716 -5.897 -2.620 1.00 0.00 C ATOM 384 CG2 ILE A 51 -6.453 -3.572 -1.651 1.00 0.00 C ATOM 385 CD1 ILE A 51 -5.427 -6.528 -2.067 1.00 0.00 C ATOM 0 H ILE A 51 -6.541 -4.739 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.638 -4.094 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.609 -4.285 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.518 -6.019 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.020 -6.429 -3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.660 -3.974 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.231 -2.533 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.403 -3.624 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.601 -7.583 -1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.630 -6.433 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.136 -6.016 -1.150 1.00 0.00 H new ATOM 397 N PHE A 52 -6.731 -1.771 -4.838 1.00 0.00 N ATOM 398 CA PHE A 52 -6.402 -0.336 -4.916 1.00 0.00 C ATOM 399 C PHE A 52 -7.015 0.380 -6.124 1.00 0.00 C ATOM 400 O PHE A 52 -7.195 1.599 -6.102 1.00 0.00 O ATOM 401 CB PHE A 52 -4.904 -0.127 -4.993 1.00 0.00 C ATOM 402 CG PHE A 52 -4.118 -0.521 -3.779 1.00 0.00 C ATOM 403 CD1 PHE A 52 -3.962 -1.873 -3.434 1.00 0.00 C ATOM 404 CD2 PHE A 52 -3.458 0.466 -3.040 1.00 0.00 C ATOM 405 CE1 PHE A 52 -3.085 -2.260 -2.421 1.00 0.00 C ATOM 406 CE2 PHE A 52 -2.518 0.073 -2.083 1.00 0.00 C ATOM 407 CZ PHE A 52 -2.279 -1.285 -1.833 1.00 0.00 C ATOM 0 H PHE A 52 -6.214 -2.326 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.825 0.090 -4.006 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.523 -0.689 -5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.715 0.927 -5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.530 -2.625 -3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.671 1.512 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.031 -3.290 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.971 0.823 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.468 -1.578 -1.183 1.00 0.00 H new ATOM 417 N GLY A 53 -7.370 -0.372 -7.167 1.00 0.00 N ATOM 418 CA GLY A 53 -8.166 0.111 -8.290 1.00 0.00 C ATOM 419 C GLY A 53 -9.458 0.851 -7.891 1.00 0.00 C ATOM 420 O GLY A 53 -9.788 1.833 -8.563 1.00 0.00 O ATOM 0 H GLY A 53 -7.105 -1.353 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.551 0.780 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.429 -0.737 -8.923 1.00 0.00 H new ATOM 424 N PRO A 54 -10.174 0.478 -6.798 1.00 0.00 N ATOM 425 CA PRO A 54 -11.289 1.274 -6.276 1.00 0.00 C ATOM 426 C PRO A 54 -10.909 2.704 -5.843 1.00 0.00 C ATOM 427 O PRO A 54 -11.766 3.590 -5.862 1.00 0.00 O ATOM 428 CB PRO A 54 -11.846 0.485 -5.080 1.00 0.00 C ATOM 429 CG PRO A 54 -11.369 -0.944 -5.324 1.00 0.00 C ATOM 430 CD PRO A 54 -10.004 -0.696 -5.946 1.00 0.00 C ATOM 0 HA PRO A 54 -12.019 1.420 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.469 0.875 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.934 0.541 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.302 -1.519 -4.400 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.033 -1.491 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.249 -0.519 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.674 -1.558 -6.526 1.00 0.00 H new ATOM 438 N PHE A 55 -9.650 2.953 -5.451 1.00 0.00 N ATOM 439 CA PHE A 55 -9.182 4.273 -5.006 1.00 0.00 C ATOM 440 C PHE A 55 -8.850 5.132 -6.219 1.00 0.00 C ATOM 441 O PHE A 55 -9.323 6.266 -6.310 1.00 0.00 O ATOM 442 CB PHE A 55 -7.936 4.181 -4.115 1.00 0.00 C ATOM 443 CG PHE A 55 -7.867 3.047 -3.118 1.00 0.00 C ATOM 444 CD1 PHE A 55 -9.029 2.441 -2.614 1.00 0.00 C ATOM 445 CD2 PHE A 55 -6.606 2.534 -2.778 1.00 0.00 C ATOM 446 CE1 PHE A 55 -8.935 1.282 -1.834 1.00 0.00 C ATOM 447 CE2 PHE A 55 -6.508 1.437 -1.904 1.00 0.00 C ATOM 448 CZ PHE A 55 -7.677 0.790 -1.468 1.00 0.00 C ATOM 0 H PHE A 55 -8.923 2.238 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.986 4.718 -4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.064 4.110 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.848 5.117 -3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.997 2.870 -2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.712 2.981 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.831 0.769 -1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.540 1.094 -1.570 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.604 -0.091 -0.848 1.00 0.00 H new ATOM 458 N GLY A 56 -8.052 4.585 -7.143 1.00 0.00 N ATOM 459 CA GLY A 56 -7.879 5.166 -8.461 1.00 0.00 C ATOM 460 C GLY A 56 -6.457 5.342 -9.017 1.00 0.00 C ATOM 461 O GLY A 56 -6.090 4.618 -9.951 1.00 0.00 O ATOM 0 H GLY A 56 -7.514 3.732 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.435 4.550 -9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.353 6.148 -8.453 1.00 0.00 H new ATOM 465 N PRO A 57 -5.653 6.293 -8.504 1.00 0.00 N ATOM 466 CA PRO A 57 -4.421 6.733 -9.167 1.00 0.00 C ATOM 467 C PRO A 57 -3.265 5.729 -9.226 1.00 0.00 C ATOM 468 O PRO A 57 -2.552 5.705 -10.230 1.00 0.00 O ATOM 469 CB PRO A 57 -4.020 8.041 -8.469 1.00 0.00 C ATOM 470 CG PRO A 57 -4.685 7.955 -7.104 1.00 0.00 C ATOM 471 CD PRO A 57 -5.956 7.152 -7.368 1.00 0.00 C ATOM 0 HA PRO A 57 -4.636 6.860 -10.228 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.937 8.129 -8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.366 8.912 -9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.042 7.459 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.912 8.944 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.234 6.562 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.796 7.811 -7.589 1.00 0.00 H new ATOM 479 N MET A 58 -3.086 4.912 -8.182 1.00 0.00 N ATOM 480 CA MET A 58 -1.988 3.925 -8.003 1.00 0.00 C ATOM 481 C MET A 58 -0.657 4.329 -8.644 1.00 0.00 C ATOM 482 O MET A 58 -0.036 3.612 -9.435 1.00 0.00 O ATOM 483 CB MET A 58 -2.380 2.551 -8.511 1.00 0.00 C ATOM 484 CG MET A 58 -3.804 2.094 -8.167 1.00 0.00 C ATOM 485 SD MET A 58 -4.161 0.377 -8.623 1.00 0.00 S ATOM 486 CE MET A 58 -2.818 -0.422 -7.705 1.00 0.00 C ATOM 0 H MET A 58 -3.731 4.913 -7.392 1.00 0.00 H new ATOM 0 HA MET A 58 -1.830 3.899 -6.925 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.267 2.539 -9.595 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.677 1.821 -8.109 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.964 2.215 -7.096 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.516 2.748 -8.671 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.086 -1.458 -7.496 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.905 -0.397 -8.300 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.654 0.107 -6.766 1.00 0.00 H new ATOM 496 N LYS A 59 -0.255 5.545 -8.306 1.00 0.00 N ATOM 497 CA LYS A 59 0.840 6.281 -8.901 1.00 0.00 C ATOM 498 C LYS A 59 2.149 5.498 -8.901 1.00 0.00 C ATOM 499 O LYS A 59 2.977 5.659 -9.798 1.00 0.00 O ATOM 500 CB LYS A 59 0.917 7.554 -8.077 1.00 0.00 C ATOM 501 CG LYS A 59 1.631 8.722 -8.707 1.00 0.00 C ATOM 502 CD LYS A 59 3.152 8.709 -8.632 1.00 0.00 C ATOM 503 CE LYS A 59 3.808 8.283 -7.315 1.00 0.00 C ATOM 504 NZ LYS A 59 5.287 8.220 -7.452 1.00 0.00 N ATOM 0 H LYS A 59 -0.715 6.072 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 59 0.671 6.484 -9.958 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.099 7.866 -7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.411 7.320 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.342 8.773 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.274 9.636 -8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.518 8.046 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.506 9.712 -8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.542 8.988 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.425 7.308 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.723 8.216 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.552 7.352 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.622 9.048 -7.985 1.00 0.00 H new ATOM 518 N GLU A 60 2.305 4.625 -7.916 1.00 0.00 N ATOM 519 CA GLU A 60 3.369 3.630 -7.869 1.00 0.00 C ATOM 520 C GLU A 60 2.988 2.450 -7.012 1.00 0.00 C ATOM 521 O GLU A 60 2.098 2.525 -6.172 1.00 0.00 O ATOM 522 CB GLU A 60 4.709 4.251 -7.433 1.00 0.00 C ATOM 523 CG GLU A 60 5.783 4.052 -8.507 1.00 0.00 C ATOM 524 CD GLU A 60 7.011 4.914 -8.192 1.00 0.00 C ATOM 525 OE1 GLU A 60 6.948 6.148 -8.416 1.00 0.00 O ATOM 526 OE2 GLU A 60 8.028 4.358 -7.705 1.00 0.00 O ATOM 0 H GLU A 60 1.682 4.587 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 60 3.508 3.255 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.575 5.316 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.037 3.797 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.069 3.001 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.383 4.319 -9.485 1.00 0.00 H new ATOM 533 N VAL A 61 3.649 1.334 -7.287 1.00 0.00 N ATOM 534 CA VAL A 61 3.306 0.016 -6.765 1.00 0.00 C ATOM 535 C VAL A 61 4.608 -0.768 -6.706 1.00 0.00 C ATOM 536 O VAL A 61 4.888 -1.651 -7.517 1.00 0.00 O ATOM 537 CB VAL A 61 2.233 -0.663 -7.672 1.00 0.00 C ATOM 538 CG1 VAL A 61 1.543 -1.802 -6.924 1.00 0.00 C ATOM 539 CG2 VAL A 61 1.140 0.262 -8.240 1.00 0.00 C ATOM 0 H VAL A 61 4.465 1.319 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 61 2.861 0.068 -5.771 1.00 0.00 H new ATOM 0 HB VAL A 61 2.810 -1.016 -8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.798 -2.264 -7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.283 -2.547 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.055 -1.409 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.453 -0.321 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.591 0.724 -7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.601 1.039 -8.850 1.00 0.00 H new ATOM 549 N LYS A 62 5.487 -0.335 -5.797 1.00 0.00 N ATOM 550 CA LYS A 62 6.825 -0.909 -5.650 1.00 0.00 C ATOM 551 C LYS A 62 6.652 -2.328 -5.120 1.00 0.00 C ATOM 552 O LYS A 62 6.107 -2.485 -4.035 1.00 0.00 O ATOM 553 CB LYS A 62 7.665 -0.035 -4.707 1.00 0.00 C ATOM 554 CG LYS A 62 7.595 1.470 -5.050 1.00 0.00 C ATOM 555 CD LYS A 62 8.583 2.311 -4.230 1.00 0.00 C ATOM 556 CE LYS A 62 9.932 2.440 -4.952 1.00 0.00 C ATOM 557 NZ LYS A 62 9.941 3.590 -5.895 1.00 0.00 N ATOM 0 H LYS A 62 5.290 0.423 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 62 7.356 -0.943 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.323 -0.184 -3.683 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.704 -0.363 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.802 1.607 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.582 1.832 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.164 3.302 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.733 1.852 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.728 2.565 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.143 1.520 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.731 3.485 -6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.044 3.615 -6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.054 4.476 -5.362 1.00 0.00 H new ATOM 571 N ILE A 63 7.031 -3.352 -5.869 1.00 0.00 N ATOM 572 CA ILE A 63 6.740 -4.764 -5.555 1.00 0.00 C ATOM 573 C ILE A 63 8.032 -5.580 -5.473 1.00 0.00 C ATOM 574 O ILE A 63 8.856 -5.584 -6.395 1.00 0.00 O ATOM 575 CB ILE A 63 5.692 -5.355 -6.530 1.00 0.00 C ATOM 576 CG1 ILE A 63 4.299 -4.721 -6.294 1.00 0.00 C ATOM 577 CG2 ILE A 63 5.563 -6.885 -6.384 1.00 0.00 C ATOM 578 CD1 ILE A 63 3.378 -4.797 -7.523 1.00 0.00 C ATOM 0 H ILE A 63 7.561 -3.234 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 63 6.283 -4.817 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 63 6.044 -5.124 -7.536 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.816 -5.224 -5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.427 -3.677 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.817 -7.256 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.525 -7.353 -6.595 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.256 -7.129 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.419 -4.335 -7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.840 -4.270 -8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.221 -5.841 -7.796 1.00 0.00 H new ATOM 590 N LEU A 64 8.196 -6.249 -4.335 1.00 0.00 N ATOM 591 CA LEU A 64 9.403 -6.922 -3.869 1.00 0.00 C ATOM 592 C LEU A 64 9.032 -8.298 -3.308 1.00 0.00 C ATOM 593 O LEU A 64 8.671 -8.419 -2.134 1.00 0.00 O ATOM 594 CB LEU A 64 10.065 -6.092 -2.758 1.00 0.00 C ATOM 595 CG LEU A 64 10.613 -4.683 -3.051 1.00 0.00 C ATOM 596 CD1 LEU A 64 9.623 -3.614 -3.526 1.00 0.00 C ATOM 597 CD2 LEU A 64 11.275 -4.219 -1.764 1.00 0.00 C ATOM 0 H LEU A 64 7.432 -6.341 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 64 10.096 -7.034 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.336 -5.992 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.893 -6.683 -2.366 1.00 0.00 H new ATOM 0 HG LEU A 64 11.280 -4.786 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.152 -2.676 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.158 -3.937 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.854 -3.468 -2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.686 -3.220 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.537 -4.197 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.077 -4.907 -1.499 1.00 0.00 H new ATOM 609 N ASN A 65 9.121 -9.341 -4.127 1.00 0.00 N ATOM 610 CA ASN A 65 8.704 -10.711 -3.803 1.00 0.00 C ATOM 611 C ASN A 65 7.285 -10.766 -3.174 1.00 0.00 C ATOM 612 O ASN A 65 6.293 -10.655 -3.896 1.00 0.00 O ATOM 613 CB ASN A 65 9.821 -11.375 -2.962 1.00 0.00 C ATOM 614 CG ASN A 65 11.120 -11.513 -3.738 1.00 0.00 C ATOM 615 OD1 ASN A 65 11.218 -12.265 -4.698 1.00 0.00 O ATOM 616 ND2 ASN A 65 12.152 -10.792 -3.362 1.00 0.00 N ATOM 0 H ASN A 65 9.499 -9.258 -5.071 1.00 0.00 H new ATOM 0 HA ASN A 65 8.589 -11.298 -4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.998 -10.783 -2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.489 -12.360 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.034 -10.860 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.071 -10.165 -2.562 1.00 0.00 H new ATOM 623 N GLY A 66 7.186 -10.917 -1.851 1.00 0.00 N ATOM 624 CA GLY A 66 5.934 -10.947 -1.073 1.00 0.00 C ATOM 625 C GLY A 66 5.371 -9.577 -0.670 1.00 0.00 C ATOM 626 O GLY A 66 4.287 -9.516 -0.092 1.00 0.00 O ATOM 0 H GLY A 66 8.011 -11.027 -1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.178 -11.474 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.103 -11.531 -0.168 1.00 0.00 H new ATOM 630 N PHE A 67 6.072 -8.476 -0.964 1.00 0.00 N ATOM 631 CA PHE A 67 5.755 -7.154 -0.431 1.00 0.00 C ATOM 632 C PHE A 67 5.392 -6.158 -1.526 1.00 0.00 C ATOM 633 O PHE A 67 5.890 -6.220 -2.650 1.00 0.00 O ATOM 634 CB PHE A 67 6.974 -6.644 0.352 1.00 0.00 C ATOM 635 CG PHE A 67 7.649 -7.679 1.231 1.00 0.00 C ATOM 636 CD1 PHE A 67 6.890 -8.380 2.184 1.00 0.00 C ATOM 637 CD2 PHE A 67 9.014 -7.982 1.070 1.00 0.00 C ATOM 638 CE1 PHE A 67 7.493 -9.315 3.031 1.00 0.00 C ATOM 639 CE2 PHE A 67 9.615 -8.956 1.889 1.00 0.00 C ATOM 640 CZ PHE A 67 8.861 -9.610 2.888 1.00 0.00 C ATOM 0 H PHE A 67 6.882 -8.482 -1.584 1.00 0.00 H new ATOM 0 HA PHE A 67 4.883 -7.245 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.707 -6.257 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.662 -5.807 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.829 -8.194 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.598 -7.469 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.910 -9.810 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.657 -9.204 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.332 -10.332 3.538 1.00 0.00 H new ATOM 650 N ALA A 68 4.571 -5.189 -1.152 1.00 0.00 N ATOM 651 CA ALA A 68 4.156 -4.052 -1.950 1.00 0.00 C ATOM 652 C ALA A 68 4.252 -2.786 -1.104 1.00 0.00 C ATOM 653 O ALA A 68 3.894 -2.758 0.069 1.00 0.00 O ATOM 654 CB ALA A 68 2.745 -4.301 -2.468 1.00 0.00 C ATOM 0 H ALA A 68 4.151 -5.178 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 68 4.807 -3.919 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.423 -3.451 -3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.736 -5.203 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.065 -4.427 -1.625 1.00 0.00 H new ATOM 660 N PHE A 69 4.731 -1.727 -1.734 1.00 0.00 N ATOM 661 CA PHE A 69 4.838 -0.390 -1.187 1.00 0.00 C ATOM 662 C PHE A 69 4.224 0.502 -2.251 1.00 0.00 C ATOM 663 O PHE A 69 4.876 1.014 -3.161 1.00 0.00 O ATOM 664 CB PHE A 69 6.272 0.000 -0.773 1.00 0.00 C ATOM 665 CG PHE A 69 7.100 -1.103 -0.134 1.00 0.00 C ATOM 666 CD1 PHE A 69 7.520 -2.179 -0.930 1.00 0.00 C ATOM 667 CD2 PHE A 69 7.460 -1.076 1.223 1.00 0.00 C ATOM 668 CE1 PHE A 69 8.215 -3.253 -0.375 1.00 0.00 C ATOM 669 CE2 PHE A 69 8.259 -2.110 1.753 1.00 0.00 C ATOM 670 CZ PHE A 69 8.639 -3.202 0.952 1.00 0.00 C ATOM 0 H PHE A 69 5.074 -1.783 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 69 4.310 -0.293 -0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.800 0.359 -1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.214 0.835 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.302 -2.176 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.127 -0.268 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.425 -4.126 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.582 -2.063 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.252 -3.992 1.360 1.00 0.00 H new ATOM 680 N VAL A 70 2.898 0.516 -2.227 1.00 0.00 N ATOM 681 CA VAL A 70 2.106 1.323 -3.144 1.00 0.00 C ATOM 682 C VAL A 70 2.273 2.777 -2.731 1.00 0.00 C ATOM 683 O VAL A 70 2.639 3.088 -1.593 1.00 0.00 O ATOM 684 CB VAL A 70 0.665 0.789 -3.234 1.00 0.00 C ATOM 685 CG1 VAL A 70 -0.076 1.133 -4.514 1.00 0.00 C ATOM 686 CG2 VAL A 70 0.656 -0.730 -3.352 1.00 0.00 C ATOM 0 H VAL A 70 2.342 -0.032 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 70 2.451 1.256 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 70 0.209 1.226 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.080 0.711 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.141 2.216 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.461 0.719 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.373 -1.084 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.197 -1.028 -4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.137 -1.166 -2.477 1.00 0.00 H new ATOM 696 N GLU A 71 2.062 3.684 -3.659 1.00 0.00 N ATOM 697 CA GLU A 71 2.393 5.088 -3.506 1.00 0.00 C ATOM 698 C GLU A 71 1.433 5.910 -4.355 1.00 0.00 C ATOM 699 O GLU A 71 1.021 5.508 -5.452 1.00 0.00 O ATOM 700 CB GLU A 71 3.840 5.294 -3.992 1.00 0.00 C ATOM 701 CG GLU A 71 4.355 6.710 -3.693 1.00 0.00 C ATOM 702 CD GLU A 71 5.859 6.869 -3.965 1.00 0.00 C ATOM 703 OE1 GLU A 71 6.683 6.475 -3.109 1.00 0.00 O ATOM 704 OE2 GLU A 71 6.227 7.452 -5.010 1.00 0.00 O ATOM 0 H GLU A 71 1.646 3.463 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 71 2.307 5.401 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.491 4.563 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.891 5.109 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.803 7.428 -4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.152 6.952 -2.650 1.00 0.00 H new ATOM 711 N PHE A 72 1.156 7.104 -3.854 1.00 0.00 N ATOM 712 CA PHE A 72 0.428 8.148 -4.547 1.00 0.00 C ATOM 713 C PHE A 72 1.240 9.441 -4.538 1.00 0.00 C ATOM 714 O PHE A 72 2.128 9.641 -3.711 1.00 0.00 O ATOM 715 CB PHE A 72 -0.943 8.308 -3.891 1.00 0.00 C ATOM 716 CG PHE A 72 -1.735 7.028 -3.680 1.00 0.00 C ATOM 717 CD1 PHE A 72 -2.096 6.201 -4.757 1.00 0.00 C ATOM 718 CD2 PHE A 72 -2.153 6.686 -2.377 1.00 0.00 C ATOM 719 CE1 PHE A 72 -2.844 5.030 -4.533 1.00 0.00 C ATOM 720 CE2 PHE A 72 -2.940 5.545 -2.166 1.00 0.00 C ATOM 721 CZ PHE A 72 -3.258 4.702 -3.239 1.00 0.00 C ATOM 0 H PHE A 72 1.445 7.380 -2.916 1.00 0.00 H new ATOM 0 HA PHE A 72 0.271 7.883 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.806 8.791 -2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.540 8.984 -4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.798 6.465 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.866 7.305 -1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.098 4.385 -5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.302 5.315 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.823 3.798 -3.066 1.00 0.00 H new ATOM 731 N GLU A 73 0.949 10.332 -5.484 1.00 0.00 N ATOM 732 CA GLU A 73 1.552 11.669 -5.507 1.00 0.00 C ATOM 733 C GLU A 73 0.790 12.673 -4.611 1.00 0.00 C ATOM 734 O GLU A 73 1.236 13.809 -4.440 1.00 0.00 O ATOM 735 CB GLU A 73 1.709 12.148 -6.956 1.00 0.00 C ATOM 736 CG GLU A 73 0.378 12.317 -7.697 1.00 0.00 C ATOM 737 CD GLU A 73 0.615 12.557 -9.201 1.00 0.00 C ATOM 738 OE1 GLU A 73 1.006 13.685 -9.590 1.00 0.00 O ATOM 739 OE2 GLU A 73 0.404 11.621 -10.016 1.00 0.00 O ATOM 0 H GLU A 73 0.297 10.154 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 73 2.550 11.607 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.240 13.100 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.329 11.435 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.236 11.427 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.175 13.155 -7.273 1.00 0.00 H new ATOM 746 N GLU A 74 -0.343 12.264 -4.019 1.00 0.00 N ATOM 747 CA GLU A 74 -1.174 13.082 -3.121 1.00 0.00 C ATOM 748 C GLU A 74 -1.748 12.269 -1.937 1.00 0.00 C ATOM 749 O GLU A 74 -1.724 11.035 -1.936 1.00 0.00 O ATOM 750 CB GLU A 74 -2.263 13.811 -3.943 1.00 0.00 C ATOM 751 CG GLU A 74 -3.021 12.971 -4.988 1.00 0.00 C ATOM 752 CD GLU A 74 -3.728 11.756 -4.379 1.00 0.00 C ATOM 753 OE1 GLU A 74 -4.455 11.933 -3.373 1.00 0.00 O ATOM 754 OE2 GLU A 74 -3.569 10.637 -4.914 1.00 0.00 O ATOM 0 H GLU A 74 -0.718 11.325 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.542 13.838 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.992 14.227 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.796 14.651 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.757 13.601 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.321 12.632 -5.751 1.00 0.00 H new ATOM 761 N ALA A 75 -2.228 12.968 -0.907 1.00 0.00 N ATOM 762 CA ALA A 75 -2.635 12.377 0.366 1.00 0.00 C ATOM 763 C ALA A 75 -4.118 11.939 0.425 1.00 0.00 C ATOM 764 O ALA A 75 -4.517 11.297 1.399 1.00 0.00 O ATOM 765 CB ALA A 75 -2.319 13.390 1.476 1.00 0.00 C ATOM 0 H ALA A 75 -2.346 13.981 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.074 11.452 0.496 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.613 12.976 2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.250 13.601 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.870 14.313 1.294 1.00 0.00 H new ATOM 771 N GLU A 76 -4.953 12.256 -0.562 1.00 0.00 N ATOM 772 CA GLU A 76 -6.383 11.900 -0.566 1.00 0.00 C ATOM 773 C GLU A 76 -6.606 10.443 -0.986 1.00 0.00 C ATOM 774 O GLU A 76 -7.414 9.748 -0.366 1.00 0.00 O ATOM 775 CB GLU A 76 -7.182 12.835 -1.489 1.00 0.00 C ATOM 776 CG GLU A 76 -7.303 14.268 -0.953 1.00 0.00 C ATOM 777 CD GLU A 76 -8.274 14.354 0.236 1.00 0.00 C ATOM 778 OE1 GLU A 76 -7.835 14.186 1.400 1.00 0.00 O ATOM 779 OE2 GLU A 76 -9.486 14.599 0.020 1.00 0.00 O ATOM 0 H GLU A 76 -4.660 12.772 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.741 12.019 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.704 12.861 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.181 12.424 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.320 14.625 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.646 14.926 -1.751 1.00 0.00 H new ATOM 786 N SER A 77 -5.859 9.944 -1.984 1.00 0.00 N ATOM 787 CA SER A 77 -5.828 8.510 -2.285 1.00 0.00 C ATOM 788 C SER A 77 -5.287 7.719 -1.106 1.00 0.00 C ATOM 789 O SER A 77 -5.809 6.655 -0.798 1.00 0.00 O ATOM 790 CB SER A 77 -5.028 8.176 -3.543 1.00 0.00 C ATOM 791 OG SER A 77 -5.296 6.842 -3.927 1.00 0.00 O ATOM 0 H SER A 77 -5.271 10.513 -2.593 1.00 0.00 H new ATOM 0 HA SER A 77 -6.862 8.222 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.295 8.859 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.962 8.305 -3.355 1.00 0.00 H new ATOM 0 HG SER A 77 -4.465 6.323 -3.909 1.00 0.00 H new ATOM 797 N ALA A 78 -4.306 8.262 -0.383 1.00 0.00 N ATOM 798 CA ALA A 78 -3.808 7.638 0.832 1.00 0.00 C ATOM 799 C ALA A 78 -4.873 7.614 1.930 1.00 0.00 C ATOM 800 O ALA A 78 -5.150 6.541 2.459 1.00 0.00 O ATOM 801 CB ALA A 78 -2.525 8.343 1.245 1.00 0.00 C ATOM 0 H ALA A 78 -3.842 9.138 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.575 6.589 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.137 7.888 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.786 8.250 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.732 9.398 1.426 1.00 0.00 H new ATOM 807 N ALA A 79 -5.533 8.743 2.223 1.00 0.00 N ATOM 808 CA ALA A 79 -6.623 8.842 3.199 1.00 0.00 C ATOM 809 C ALA A 79 -7.732 7.813 2.935 1.00 0.00 C ATOM 810 O ALA A 79 -8.099 7.042 3.830 1.00 0.00 O ATOM 811 CB ALA A 79 -7.166 10.276 3.200 1.00 0.00 C ATOM 0 H ALA A 79 -5.317 9.634 1.776 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.229 8.608 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.977 10.357 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.368 10.967 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.540 10.524 2.207 1.00 0.00 H new ATOM 817 N LYS A 80 -8.228 7.739 1.692 1.00 0.00 N ATOM 818 CA LYS A 80 -9.223 6.718 1.354 1.00 0.00 C ATOM 819 C LYS A 80 -8.648 5.316 1.377 1.00 0.00 C ATOM 820 O LYS A 80 -9.296 4.446 1.940 1.00 0.00 O ATOM 821 CB LYS A 80 -9.968 7.005 0.048 1.00 0.00 C ATOM 822 CG LYS A 80 -9.152 6.800 -1.231 1.00 0.00 C ATOM 823 CD LYS A 80 -9.974 7.221 -2.466 1.00 0.00 C ATOM 824 CE LYS A 80 -9.127 8.032 -3.453 1.00 0.00 C ATOM 825 NZ LYS A 80 -9.893 8.432 -4.661 1.00 0.00 N ATOM 0 H LYS A 80 -7.964 8.357 0.924 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.969 6.771 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.849 6.365 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.324 8.035 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.233 7.384 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.860 5.754 -1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.365 6.334 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.832 7.813 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.748 8.924 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.261 7.443 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.626 9.398 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.679 7.778 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.911 8.400 -4.453 1.00 0.00 H new ATOM 839 N ALA A 81 -7.438 5.094 0.871 1.00 0.00 N ATOM 840 CA ALA A 81 -6.804 3.778 0.898 1.00 0.00 C ATOM 841 C ALA A 81 -6.739 3.258 2.349 1.00 0.00 C ATOM 842 O ALA A 81 -7.146 2.131 2.635 1.00 0.00 O ATOM 843 CB ALA A 81 -5.412 3.830 0.261 1.00 0.00 C ATOM 0 H ALA A 81 -6.870 5.819 0.432 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.404 3.084 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.960 2.839 0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.498 4.156 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.786 4.532 0.812 1.00 0.00 H new ATOM 849 N ILE A 82 -6.314 4.113 3.295 1.00 0.00 N ATOM 850 CA ILE A 82 -6.325 3.835 4.735 1.00 0.00 C ATOM 851 C ILE A 82 -7.720 3.394 5.178 1.00 0.00 C ATOM 852 O ILE A 82 -7.907 2.270 5.645 1.00 0.00 O ATOM 853 CB ILE A 82 -5.843 5.049 5.565 1.00 0.00 C ATOM 854 CG1 ILE A 82 -4.361 5.402 5.336 1.00 0.00 C ATOM 855 CG2 ILE A 82 -6.037 4.840 7.081 1.00 0.00 C ATOM 856 CD1 ILE A 82 -4.130 6.907 5.450 1.00 0.00 C ATOM 0 H ILE A 82 -5.945 5.037 3.071 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.622 3.023 4.919 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.467 5.870 5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.743 4.880 6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.050 5.057 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.683 5.720 7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.095 4.686 7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.470 3.966 7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.075 7.127 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.731 7.425 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.419 7.245 6.445 1.00 0.00 H new ATOM 868 N GLU A 83 -8.725 4.248 4.992 1.00 0.00 N ATOM 869 CA GLU A 83 -10.087 3.935 5.434 1.00 0.00 C ATOM 870 C GLU A 83 -10.704 2.712 4.719 1.00 0.00 C ATOM 871 O GLU A 83 -11.529 2.005 5.297 1.00 0.00 O ATOM 872 CB GLU A 83 -10.963 5.185 5.306 1.00 0.00 C ATOM 873 CG GLU A 83 -10.510 6.319 6.248 1.00 0.00 C ATOM 874 CD GLU A 83 -10.613 5.938 7.740 1.00 0.00 C ATOM 875 OE1 GLU A 83 -11.706 6.095 8.335 1.00 0.00 O ATOM 876 OE2 GLU A 83 -9.604 5.486 8.331 1.00 0.00 O ATOM 0 H GLU A 83 -8.625 5.157 4.541 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.035 3.641 6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.937 5.540 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.998 4.924 5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.479 6.586 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.118 7.204 6.061 1.00 0.00 H new ATOM 883 N GLU A 84 -10.244 2.392 3.506 1.00 0.00 N ATOM 884 CA GLU A 84 -10.697 1.266 2.679 1.00 0.00 C ATOM 885 C GLU A 84 -10.085 -0.076 3.112 1.00 0.00 C ATOM 886 O GLU A 84 -10.785 -1.090 3.095 1.00 0.00 O ATOM 887 CB GLU A 84 -10.296 1.492 1.201 1.00 0.00 C ATOM 888 CG GLU A 84 -11.102 2.557 0.443 1.00 0.00 C ATOM 889 CD GLU A 84 -12.370 1.969 -0.197 1.00 0.00 C ATOM 890 OE1 GLU A 84 -13.323 1.611 0.532 1.00 0.00 O ATOM 891 OE2 GLU A 84 -12.433 1.874 -1.451 1.00 0.00 O ATOM 0 H GLU A 84 -9.511 2.936 3.051 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.779 1.222 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.243 1.770 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.392 0.545 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.379 3.358 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.477 3.002 -0.332 1.00 0.00 H new ATOM 898 N VAL A 85 -8.798 -0.105 3.493 1.00 0.00 N ATOM 899 CA VAL A 85 -8.050 -1.372 3.663 1.00 0.00 C ATOM 900 C VAL A 85 -6.913 -1.369 4.707 1.00 0.00 C ATOM 901 O VAL A 85 -6.363 -2.423 5.009 1.00 0.00 O ATOM 902 CB VAL A 85 -7.625 -1.873 2.264 1.00 0.00 C ATOM 903 CG1 VAL A 85 -6.705 -0.908 1.515 1.00 0.00 C ATOM 904 CG2 VAL A 85 -7.024 -3.280 2.245 1.00 0.00 C ATOM 0 H VAL A 85 -8.249 0.732 3.690 1.00 0.00 H new ATOM 0 HA VAL A 85 -8.730 -2.088 4.124 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.575 -1.920 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.450 -1.329 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.214 0.046 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.794 -0.752 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.756 -3.547 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.133 -3.303 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.755 -3.993 2.626 1.00 0.00 H new ATOM 914 N HIS A 86 -6.603 -0.256 5.380 1.00 0.00 N ATOM 915 CA HIS A 86 -5.695 -0.282 6.541 1.00 0.00 C ATOM 916 C HIS A 86 -6.285 -1.055 7.729 1.00 0.00 C ATOM 917 O HIS A 86 -7.342 -0.691 8.255 1.00 0.00 O ATOM 918 CB HIS A 86 -5.367 1.131 7.035 1.00 0.00 C ATOM 919 CG HIS A 86 -4.292 1.170 8.095 1.00 0.00 C ATOM 920 ND1 HIS A 86 -2.991 1.553 7.889 1.00 0.00 N ATOM 921 CD2 HIS A 86 -4.409 0.843 9.424 1.00 0.00 C ATOM 922 CE1 HIS A 86 -2.327 1.445 9.055 1.00 0.00 C ATOM 923 NE2 HIS A 86 -3.153 1.011 10.024 1.00 0.00 N ATOM 0 H HIS A 86 -6.962 0.670 5.146 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.794 -0.782 6.187 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.051 1.738 6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -6.274 1.587 7.433 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -2.594 1.866 7.003 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.310 0.514 9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -1.281 1.674 9.193 1.00 0.00 H new ATOM 931 N GLY A 87 -5.589 -2.096 8.190 1.00 0.00 N ATOM 932 CA GLY A 87 -5.897 -2.803 9.441 1.00 0.00 C ATOM 933 C GLY A 87 -6.868 -3.962 9.232 1.00 0.00 C ATOM 934 O GLY A 87 -7.168 -4.727 10.146 1.00 0.00 O ATOM 0 H GLY A 87 -4.782 -2.480 7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.973 -3.181 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.324 -2.100 10.157 1.00 0.00 H new ATOM 938 N LYS A 88 -7.338 -4.092 7.987 1.00 0.00 N ATOM 939 CA LYS A 88 -8.084 -5.215 7.451 1.00 0.00 C ATOM 940 C LYS A 88 -7.084 -6.341 7.213 1.00 0.00 C ATOM 941 O LYS A 88 -5.952 -6.068 6.819 1.00 0.00 O ATOM 942 CB LYS A 88 -8.676 -4.763 6.116 1.00 0.00 C ATOM 943 CG LYS A 88 -9.916 -3.847 6.189 1.00 0.00 C ATOM 944 CD LYS A 88 -9.615 -2.479 6.832 1.00 0.00 C ATOM 945 CE LYS A 88 -10.603 -1.387 6.409 1.00 0.00 C ATOM 946 NZ LYS A 88 -10.098 -0.031 6.763 1.00 0.00 N ATOM 0 H LYS A 88 -7.193 -3.363 7.288 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.877 -5.550 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.899 -4.242 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.941 -5.651 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.306 -3.692 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.698 -4.347 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.638 -2.581 7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -8.605 -2.171 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.773 -1.444 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.565 -1.557 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.690 0.691 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.136 0.095 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.115 0.069 6.438 1.00 0.00 H new ATOM 960 N SER A 89 -7.480 -7.587 7.446 1.00 0.00 N ATOM 961 CA SER A 89 -6.580 -8.739 7.305 1.00 0.00 C ATOM 962 C SER A 89 -6.633 -9.339 5.916 1.00 0.00 C ATOM 963 O SER A 89 -7.684 -9.795 5.455 1.00 0.00 O ATOM 964 CB SER A 89 -6.840 -9.788 8.377 1.00 0.00 C ATOM 965 OG SER A 89 -5.999 -10.915 8.198 1.00 0.00 O ATOM 0 H SER A 89 -8.426 -7.832 7.736 1.00 0.00 H new ATOM 0 HA SER A 89 -5.566 -8.366 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.670 -9.356 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.884 -10.099 8.341 1.00 0.00 H new ATOM 0 HG SER A 89 -6.183 -11.575 8.899 1.00 0.00 H new ATOM 971 N PHE A 90 -5.471 -9.357 5.258 1.00 0.00 N ATOM 972 CA PHE A 90 -5.270 -10.067 3.999 1.00 0.00 C ATOM 973 C PHE A 90 -4.308 -11.256 4.149 1.00 0.00 C ATOM 974 O PHE A 90 -3.322 -11.183 4.892 1.00 0.00 O ATOM 975 CB PHE A 90 -4.807 -9.046 2.967 1.00 0.00 C ATOM 976 CG PHE A 90 -5.087 -9.495 1.545 1.00 0.00 C ATOM 977 CD1 PHE A 90 -4.357 -10.542 0.964 1.00 0.00 C ATOM 978 CD2 PHE A 90 -6.190 -8.943 0.862 1.00 0.00 C ATOM 979 CE1 PHE A 90 -4.749 -11.062 -0.279 1.00 0.00 C ATOM 980 CE2 PHE A 90 -6.563 -9.441 -0.391 1.00 0.00 C ATOM 981 CZ PHE A 90 -5.851 -10.512 -0.956 1.00 0.00 C ATOM 0 H PHE A 90 -4.637 -8.873 5.590 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.204 -10.519 3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.307 -8.095 3.150 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.738 -8.872 3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.495 -10.947 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.749 -8.133 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.203 -11.885 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.395 -9.004 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.151 -10.914 -1.913 1.00 0.00 H new ATOM 991 N ALA A 91 -4.601 -12.351 3.440 1.00 0.00 N ATOM 992 CA ALA A 91 -3.930 -13.662 3.425 1.00 0.00 C ATOM 993 C ALA A 91 -3.858 -14.383 4.794 1.00 0.00 C ATOM 994 O ALA A 91 -4.287 -15.533 4.912 1.00 0.00 O ATOM 995 CB ALA A 91 -2.555 -13.519 2.749 1.00 0.00 C ATOM 0 H ALA A 91 -5.393 -12.344 2.797 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.557 -14.332 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.054 -14.487 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.687 -13.164 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.949 -12.804 3.305 1.00 0.00 H new ATOM 1001 N ASN A 92 -3.339 -13.715 5.825 1.00 0.00 N ATOM 1002 CA ASN A 92 -3.253 -14.179 7.215 1.00 0.00 C ATOM 1003 C ASN A 92 -3.129 -13.043 8.261 1.00 0.00 C ATOM 1004 O ASN A 92 -3.199 -13.333 9.464 1.00 0.00 O ATOM 1005 CB ASN A 92 -2.054 -15.147 7.332 1.00 0.00 C ATOM 1006 CG ASN A 92 -0.704 -14.448 7.280 1.00 0.00 C ATOM 1007 OD1 ASN A 92 -0.045 -14.256 8.287 1.00 0.00 O ATOM 1008 ND2 ASN A 92 -0.257 -14.017 6.117 1.00 0.00 N ATOM 0 H ASN A 92 -2.944 -12.782 5.708 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.194 -14.678 7.446 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.133 -15.699 8.269 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.107 -15.878 6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.636 -13.526 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.804 -14.174 5.270 1.00 0.00 H new ATOM 1015 N GLN A 93 -2.907 -11.780 7.862 1.00 0.00 N ATOM 1016 CA GLN A 93 -2.548 -10.679 8.780 1.00 0.00 C ATOM 1017 C GLN A 93 -2.851 -9.294 8.154 1.00 0.00 C ATOM 1018 O GLN A 93 -3.043 -9.183 6.937 1.00 0.00 O ATOM 1019 CB GLN A 93 -1.063 -10.837 9.196 1.00 0.00 C ATOM 1020 CG GLN A 93 -0.087 -10.686 8.023 1.00 0.00 C ATOM 1021 CD GLN A 93 1.376 -10.920 8.378 1.00 0.00 C ATOM 1022 OE1 GLN A 93 2.173 -9.999 8.500 1.00 0.00 O ATOM 1023 NE2 GLN A 93 1.797 -12.158 8.507 1.00 0.00 N ATOM 0 H GLN A 93 -2.971 -11.489 6.887 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.164 -10.734 9.677 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.825 -10.093 9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.923 -11.817 9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.373 -11.386 7.238 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.190 -9.683 7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.141 -12.933 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.780 -12.344 8.707 1.00 0.00 H new ATOM 1032 N PRO A 94 -2.941 -8.217 8.953 1.00 0.00 N ATOM 1033 CA PRO A 94 -3.381 -6.924 8.448 1.00 0.00 C ATOM 1034 C PRO A 94 -2.357 -6.096 7.680 1.00 0.00 C ATOM 1035 O PRO A 94 -1.160 -6.062 7.971 1.00 0.00 O ATOM 1036 CB PRO A 94 -3.917 -6.151 9.654 1.00 0.00 C ATOM 1037 CG PRO A 94 -3.141 -6.766 10.819 1.00 0.00 C ATOM 1038 CD PRO A 94 -3.011 -8.225 10.405 1.00 0.00 C ATOM 0 HA PRO A 94 -4.135 -7.118 7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -3.731 -5.081 9.564 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -4.993 -6.279 9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.167 -6.294 10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.676 -6.659 11.763 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.118 -8.677 10.838 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.864 -8.808 10.753 1.00 0.00 H new ATOM 1046 N LEU A 95 -2.907 -5.379 6.699 1.00 0.00 N ATOM 1047 CA LEU A 95 -2.250 -4.376 5.875 1.00 0.00 C ATOM 1048 C LEU A 95 -1.824 -3.137 6.681 1.00 0.00 C ATOM 1049 O LEU A 95 -2.505 -2.738 7.631 1.00 0.00 O ATOM 1050 CB LEU A 95 -3.272 -3.934 4.820 1.00 0.00 C ATOM 1051 CG LEU A 95 -3.646 -4.883 3.666 1.00 0.00 C ATOM 1052 CD1 LEU A 95 -2.521 -5.751 3.132 1.00 0.00 C ATOM 1053 CD2 LEU A 95 -4.858 -5.728 3.968 1.00 0.00 C ATOM 0 H LEU A 95 -3.888 -5.495 6.446 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.348 -4.810 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.193 -3.684 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.899 -3.012 4.374 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.889 -4.189 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.897 -6.378 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.719 -5.116 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.138 -6.383 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.071 -6.375 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.665 -6.339 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.715 -5.081 4.155 1.00 0.00 H new ATOM 1065 N GLU A 96 -0.775 -2.450 6.228 1.00 0.00 N ATOM 1066 CA GLU A 96 -0.232 -1.214 6.816 1.00 0.00 C ATOM 1067 C GLU A 96 -0.233 -0.092 5.754 1.00 0.00 C ATOM 1068 O GLU A 96 0.749 0.577 5.436 1.00 0.00 O ATOM 1069 CB GLU A 96 1.119 -1.542 7.460 1.00 0.00 C ATOM 1070 CG GLU A 96 1.594 -0.454 8.418 1.00 0.00 C ATOM 1071 CD GLU A 96 2.844 -0.898 9.196 1.00 0.00 C ATOM 1072 OE1 GLU A 96 2.980 -2.098 9.539 1.00 0.00 O ATOM 1073 OE2 GLU A 96 3.711 -0.044 9.473 1.00 0.00 O ATOM 0 H GLU A 96 -0.253 -2.749 5.404 1.00 0.00 H new ATOM 0 HA GLU A 96 -0.851 -0.819 7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.040 -2.486 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.865 -1.683 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.816 0.454 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.795 -0.210 9.118 1.00 0.00 H new ATOM 1080 N VAL A 97 -1.406 0.054 5.141 1.00 0.00 N ATOM 1081 CA VAL A 97 -1.755 0.997 4.069 1.00 0.00 C ATOM 1082 C VAL A 97 -1.709 2.394 4.671 1.00 0.00 C ATOM 1083 O VAL A 97 -2.637 2.743 5.400 1.00 0.00 O ATOM 1084 CB VAL A 97 -3.191 0.678 3.640 1.00 0.00 C ATOM 1085 CG1 VAL A 97 -3.838 1.672 2.684 1.00 0.00 C ATOM 1086 CG2 VAL A 97 -3.251 -0.699 2.967 1.00 0.00 C ATOM 0 H VAL A 97 -2.203 -0.528 5.398 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.079 0.928 3.216 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.753 0.722 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.851 1.345 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.873 2.656 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.253 1.727 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.277 -0.913 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.608 -0.702 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.911 -1.462 3.668 1.00 0.00 H new ATOM 1096 N VAL A 98 -0.641 3.180 4.492 1.00 0.00 N ATOM 1097 CA VAL A 98 -0.471 4.347 5.354 1.00 0.00 C ATOM 1098 C VAL A 98 0.406 5.447 4.731 1.00 0.00 C ATOM 1099 O VAL A 98 0.098 6.010 3.675 1.00 0.00 O ATOM 1100 CB VAL A 98 -0.068 3.753 6.749 1.00 0.00 C ATOM 1101 CG1 VAL A 98 1.399 3.423 7.107 1.00 0.00 C ATOM 1102 CG2 VAL A 98 -0.881 4.459 7.823 1.00 0.00 C ATOM 0 H VAL A 98 0.086 3.038 3.791 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.377 4.937 5.489 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.332 2.699 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.445 3.024 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.787 2.683 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.001 4.330 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.615 4.060 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.668 5.528 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.943 4.296 7.641 1.00 0.00 H new ATOM 1112 N TYR A 99 1.546 5.707 5.351 1.00 0.00 N ATOM 1113 CA TYR A 99 2.648 6.559 4.911 1.00 0.00 C ATOM 1114 C TYR A 99 3.933 5.714 4.717 1.00 0.00 C ATOM 1115 O TYR A 99 5.038 6.226 4.593 1.00 0.00 O ATOM 1116 CB TYR A 99 2.779 7.652 5.977 1.00 0.00 C ATOM 1117 CG TYR A 99 1.477 8.309 6.436 1.00 0.00 C ATOM 1118 CD1 TYR A 99 0.434 8.558 5.519 1.00 0.00 C ATOM 1119 CD2 TYR A 99 1.285 8.621 7.794 1.00 0.00 C ATOM 1120 CE1 TYR A 99 -0.787 9.108 5.945 1.00 0.00 C ATOM 1121 CE2 TYR A 99 0.065 9.173 8.229 1.00 0.00 C ATOM 1122 CZ TYR A 99 -0.977 9.415 7.309 1.00 0.00 C ATOM 1123 OH TYR A 99 -2.157 9.938 7.741 1.00 0.00 O ATOM 0 H TYR A 99 1.745 5.290 6.260 1.00 0.00 H new ATOM 0 HA TYR A 99 2.470 7.021 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.271 7.222 6.849 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.437 8.430 5.590 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.576 8.323 4.475 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.076 8.436 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.576 9.295 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.074 9.413 9.273 1.00 0.00 H new ATOM 0 HH TYR A 99 -2.114 10.087 8.709 1.00 0.00 H new ATOM 1133 N SER A 100 3.764 4.393 4.688 1.00 0.00 N ATOM 1134 CA SER A 100 4.753 3.316 4.711 1.00 0.00 C ATOM 1135 C SER A 100 5.959 3.507 5.642 1.00 0.00 C ATOM 1136 O SER A 100 7.044 3.933 5.239 1.00 0.00 O ATOM 1137 CB SER A 100 5.084 2.829 3.304 1.00 0.00 C ATOM 1138 OG SER A 100 6.201 1.957 3.234 1.00 0.00 O ATOM 0 H SER A 100 2.821 4.007 4.643 1.00 0.00 H new ATOM 0 HA SER A 100 4.255 2.489 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.213 2.317 2.895 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.273 3.694 2.668 1.00 0.00 H new ATOM 0 HG SER A 100 6.348 1.688 2.303 1.00 0.00 H new