USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -138:sc= -0.215 (180deg=-0.958) USER MOD Single : A 1 MET N :NH3+ 178:sc= 0 (180deg=-0.0178) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 15:sc= 0.584 USER MOD Single : A 12 ASN : amide:sc= -0.312 K(o=-0.31,f=-8.3!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.49! C(o=-2.5!,f=-9.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 40 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-0.98) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.133) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 67:sc= 1.34 USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0358) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-2.2!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=-0.009) USER MOD Single : A 64 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.0067) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.936 -6.561 6.154 1.00 24.41 N ATOM 2 CA MET A 1 8.643 -6.058 4.954 1.00 30.20 C ATOM 3 C MET A 1 7.662 -5.467 3.950 1.00 42.25 C ATOM 4 O MET A 1 6.622 -6.060 3.657 1.00 73.15 O ATOM 5 CB MET A 1 9.451 -7.180 4.282 1.00 10.05 C ATOM 6 CG MET A 1 8.609 -8.362 3.823 1.00 74.14 C ATOM 7 SD MET A 1 9.564 -9.590 2.905 1.00 64.13 S ATOM 8 CE MET A 1 10.093 -8.621 1.490 1.00 53.45 C ATOM 0 H1 MET A 1 8.623 -6.989 6.807 1.00 24.41 H new ATOM 0 H2 MET A 1 7.452 -5.772 6.628 1.00 24.41 H new ATOM 0 H3 MET A 1 7.236 -7.276 5.870 1.00 24.41 H new ATOM 0 HA MET A 1 9.327 -5.276 5.282 1.00 30.20 H new ATOM 0 HB2 MET A 1 9.979 -6.768 3.422 1.00 10.05 H new ATOM 0 HB3 MET A 1 10.208 -7.536 4.980 1.00 10.05 H new ATOM 0 HG2 MET A 1 8.155 -8.838 4.692 1.00 74.14 H new ATOM 0 HG3 MET A 1 7.794 -8.000 3.196 1.00 74.14 H new ATOM 0 HE1 MET A 1 10.000 -9.220 0.584 1.00 53.45 H new ATOM 0 HE2 MET A 1 9.468 -7.732 1.403 1.00 53.45 H new ATOM 0 HE3 MET A 1 11.133 -8.321 1.622 1.00 53.45 H new ATOM 20 N ILE A 2 7.993 -4.296 3.431 1.00 52.15 N ATOM 21 CA ILE A 2 7.227 -3.685 2.360 1.00 31.52 C ATOM 22 C ILE A 2 7.899 -3.996 1.030 1.00 30.01 C ATOM 23 O ILE A 2 9.126 -3.924 0.913 1.00 44.45 O ATOM 24 CB ILE A 2 7.110 -2.156 2.540 1.00 62.33 C ATOM 25 CG1 ILE A 2 6.604 -1.822 3.949 1.00 33.25 C ATOM 26 CG2 ILE A 2 6.188 -1.562 1.482 1.00 74.25 C ATOM 27 CD1 ILE A 2 6.507 -0.338 4.232 1.00 2.40 C ATOM 0 H ILE A 2 8.795 -3.746 3.739 1.00 52.15 H new ATOM 0 HA ILE A 2 6.218 -4.097 2.382 1.00 31.52 H new ATOM 0 HB ILE A 2 8.099 -1.715 2.416 1.00 62.33 H new ATOM 0 HG12 ILE A 2 5.621 -2.273 4.088 1.00 33.25 H new ATOM 0 HG13 ILE A 2 7.270 -2.278 4.681 1.00 33.25 H new ATOM 0 HG21 ILE A 2 6.118 -0.484 1.625 1.00 74.25 H new ATOM 0 HG22 ILE A 2 6.589 -1.771 0.490 1.00 74.25 H new ATOM 0 HG23 ILE A 2 5.196 -2.005 1.573 1.00 74.25 H new ATOM 0 HD11 ILE A 2 6.142 -0.184 5.248 1.00 2.40 H new ATOM 0 HD12 ILE A 2 7.492 0.117 4.128 1.00 2.40 H new ATOM 0 HD13 ILE A 2 5.817 0.123 3.525 1.00 2.40 H new ATOM 39 N PHE A 3 7.103 -4.351 0.039 1.00 24.24 N ATOM 40 CA PHE A 3 7.630 -4.805 -1.237 1.00 71.34 C ATOM 41 C PHE A 3 6.662 -4.436 -2.360 1.00 20.04 C ATOM 42 O PHE A 3 5.446 -4.432 -2.150 1.00 63.40 O ATOM 43 CB PHE A 3 7.842 -6.326 -1.181 1.00 31.01 C ATOM 44 CG PHE A 3 8.714 -6.879 -2.275 1.00 34.23 C ATOM 45 CD1 PHE A 3 10.093 -6.756 -2.204 1.00 0.15 C ATOM 46 CD2 PHE A 3 8.159 -7.519 -3.371 1.00 42.24 C ATOM 47 CE1 PHE A 3 10.902 -7.261 -3.203 1.00 71.00 C ATOM 48 CE2 PHE A 3 8.962 -8.026 -4.374 1.00 1.35 C ATOM 49 CZ PHE A 3 10.337 -7.896 -4.292 1.00 74.22 C ATOM 0 H PHE A 3 6.085 -4.334 0.092 1.00 24.24 H new ATOM 0 HA PHE A 3 8.585 -4.320 -1.437 1.00 71.34 H new ATOM 0 HB2 PHE A 3 8.284 -6.583 -0.218 1.00 31.01 H new ATOM 0 HB3 PHE A 3 6.870 -6.817 -1.227 1.00 31.01 H new ATOM 0 HD1 PHE A 3 10.541 -6.259 -1.356 1.00 0.15 H new ATOM 0 HD2 PHE A 3 7.086 -7.623 -3.442 1.00 42.24 H new ATOM 0 HE1 PHE A 3 11.975 -7.160 -3.133 1.00 71.00 H new ATOM 0 HE2 PHE A 3 8.516 -8.524 -5.222 1.00 1.35 H new ATOM 0 HZ PHE A 3 10.966 -8.290 -5.077 1.00 74.22 H new ATOM 59 N PRO A 4 7.183 -4.081 -3.550 1.00 43.44 N ATOM 60 CA PRO A 4 6.353 -3.792 -4.724 1.00 53.12 C ATOM 61 C PRO A 4 5.386 -4.931 -5.030 1.00 3.34 C ATOM 62 O PRO A 4 5.776 -6.099 -5.060 1.00 15.01 O ATOM 63 CB PRO A 4 7.371 -3.638 -5.857 1.00 5.33 C ATOM 64 CG PRO A 4 8.638 -3.244 -5.180 1.00 34.42 C ATOM 65 CD PRO A 4 8.621 -3.927 -3.842 1.00 43.11 C ATOM 0 HA PRO A 4 5.729 -2.910 -4.577 1.00 53.12 H new ATOM 0 HB2 PRO A 4 7.491 -4.570 -6.410 1.00 5.33 H new ATOM 0 HB3 PRO A 4 7.053 -2.881 -6.574 1.00 5.33 H new ATOM 0 HG2 PRO A 4 9.505 -3.552 -5.764 1.00 34.42 H new ATOM 0 HG3 PRO A 4 8.699 -2.162 -5.065 1.00 34.42 H new ATOM 0 HD2 PRO A 4 9.129 -4.891 -3.877 1.00 43.11 H new ATOM 0 HD3 PRO A 4 9.123 -3.330 -3.081 1.00 43.11 H new ATOM 73 N GLY A 5 4.123 -4.589 -5.240 1.00 3.30 N ATOM 74 CA GLY A 5 3.110 -5.593 -5.483 1.00 3.13 C ATOM 75 C GLY A 5 2.217 -5.798 -4.276 1.00 3.54 C ATOM 76 O GLY A 5 1.158 -6.422 -4.378 1.00 32.52 O ATOM 0 H GLY A 5 3.781 -3.628 -5.246 1.00 3.30 H new ATOM 0 HA2 GLY A 5 2.502 -5.296 -6.338 1.00 3.13 H new ATOM 0 HA3 GLY A 5 3.589 -6.536 -5.745 1.00 3.13 H new ATOM 80 N ALA A 6 2.636 -5.269 -3.133 1.00 22.13 N ATOM 81 CA ALA A 6 1.864 -5.407 -1.906 1.00 21.34 C ATOM 82 C ALA A 6 0.956 -4.201 -1.707 1.00 12.02 C ATOM 83 O ALA A 6 1.128 -3.165 -2.355 1.00 11.43 O ATOM 84 CB ALA A 6 2.788 -5.583 -0.707 1.00 14.42 C ATOM 0 H ALA A 6 3.503 -4.742 -3.031 1.00 22.13 H new ATOM 0 HA ALA A 6 1.241 -6.297 -1.992 1.00 21.34 H new ATOM 0 HB1 ALA A 6 2.192 -5.684 0.200 1.00 14.42 H new ATOM 0 HB2 ALA A 6 3.395 -6.478 -0.844 1.00 14.42 H new ATOM 0 HB3 ALA A 6 3.439 -4.713 -0.618 1.00 14.42 H new ATOM 90 N THR A 7 -0.014 -4.348 -0.819 1.00 14.31 N ATOM 91 CA THR A 7 -0.943 -3.277 -0.512 1.00 63.34 C ATOM 92 C THR A 7 -0.494 -2.538 0.747 1.00 4.32 C ATOM 93 O THR A 7 -0.125 -3.164 1.741 1.00 20.10 O ATOM 94 CB THR A 7 -2.365 -3.830 -0.296 1.00 33.10 C ATOM 95 OG1 THR A 7 -2.696 -4.745 -1.353 1.00 71.33 O ATOM 96 CG2 THR A 7 -3.390 -2.702 -0.254 1.00 72.04 C ATOM 0 H THR A 7 -0.178 -5.208 -0.295 1.00 14.31 H new ATOM 0 HA THR A 7 -0.956 -2.589 -1.357 1.00 63.34 H new ATOM 0 HB THR A 7 -2.388 -4.351 0.661 1.00 33.10 H new ATOM 0 HG1 THR A 7 -3.600 -5.096 -1.211 1.00 71.33 H new ATOM 0 HG21 THR A 7 -4.385 -3.120 -0.101 1.00 72.04 H new ATOM 0 HG22 THR A 7 -3.151 -2.024 0.565 1.00 72.04 H new ATOM 0 HG23 THR A 7 -3.368 -2.155 -1.196 1.00 72.04 H new ATOM 104 N VAL A 8 -0.516 -1.217 0.704 1.00 72.42 N ATOM 105 CA VAL A 8 -0.119 -0.420 1.852 1.00 22.40 C ATOM 106 C VAL A 8 -1.208 0.565 2.233 1.00 31.05 C ATOM 107 O VAL A 8 -1.958 1.043 1.380 1.00 60.32 O ATOM 108 CB VAL A 8 1.194 0.349 1.609 1.00 34.11 C ATOM 109 CG1 VAL A 8 2.373 -0.609 1.568 1.00 34.33 C ATOM 110 CG2 VAL A 8 1.120 1.159 0.322 1.00 14.20 C ATOM 0 H VAL A 8 -0.804 -0.675 -0.111 1.00 72.42 H new ATOM 0 HA VAL A 8 0.044 -1.123 2.669 1.00 22.40 H new ATOM 0 HB VAL A 8 1.339 1.042 2.438 1.00 34.11 H new ATOM 0 HG11 VAL A 8 3.292 -0.048 1.396 1.00 34.33 H new ATOM 0 HG12 VAL A 8 2.444 -1.139 2.518 1.00 34.33 H new ATOM 0 HG13 VAL A 8 2.230 -1.328 0.761 1.00 34.33 H new ATOM 0 HG21 VAL A 8 2.059 1.692 0.173 1.00 14.20 H new ATOM 0 HG22 VAL A 8 0.946 0.489 -0.520 1.00 14.20 H new ATOM 0 HG23 VAL A 8 0.302 1.876 0.390 1.00 14.20 H new ATOM 120 N ARG A 9 -1.289 0.858 3.514 1.00 50.34 N ATOM 121 CA ARG A 9 -2.288 1.774 4.024 1.00 30.14 C ATOM 122 C ARG A 9 -1.633 3.105 4.358 1.00 61.11 C ATOM 123 O ARG A 9 -0.680 3.152 5.142 1.00 73.43 O ATOM 124 CB ARG A 9 -2.947 1.162 5.261 1.00 33.11 C ATOM 125 CG ARG A 9 -4.065 1.995 5.860 1.00 64.21 C ATOM 126 CD ARG A 9 -4.812 1.196 6.913 1.00 32.34 C ATOM 127 NE ARG A 9 -5.867 1.968 7.564 1.00 23.11 N ATOM 128 CZ ARG A 9 -7.153 1.629 7.545 1.00 44.41 C ATOM 129 NH1 ARG A 9 -7.570 0.605 6.807 1.00 2.43 N ATOM 130 NH2 ARG A 9 -8.028 2.332 8.255 1.00 71.04 N ATOM 0 H ARG A 9 -0.670 0.472 4.226 1.00 50.34 H new ATOM 0 HA ARG A 9 -3.056 1.949 3.271 1.00 30.14 H new ATOM 0 HB2 ARG A 9 -3.344 0.182 4.997 1.00 33.11 H new ATOM 0 HB3 ARG A 9 -2.183 1.003 6.022 1.00 33.11 H new ATOM 0 HG2 ARG A 9 -3.654 2.901 6.305 1.00 64.21 H new ATOM 0 HG3 ARG A 9 -4.754 2.309 5.076 1.00 64.21 H new ATOM 0 HD2 ARG A 9 -5.248 0.311 6.450 1.00 32.34 H new ATOM 0 HD3 ARG A 9 -4.106 0.846 7.666 1.00 32.34 H new ATOM 0 HE ARG A 9 -5.602 2.817 8.063 1.00 23.11 H new ATOM 0 HH11 ARG A 9 -6.902 0.073 6.250 1.00 2.43 H new ATOM 0 HH12 ARG A 9 -8.558 0.352 6.798 1.00 2.43 H new ATOM 0 HH21 ARG A 9 -7.712 3.127 8.811 1.00 71.04 H new ATOM 0 HH22 ARG A 9 -9.016 2.077 8.244 1.00 71.04 H new ATOM 144 N VAL A 10 -2.118 4.175 3.742 1.00 13.43 N ATOM 145 CA VAL A 10 -1.554 5.497 3.965 1.00 22.02 C ATOM 146 C VAL A 10 -1.901 5.986 5.363 1.00 64.42 C ATOM 147 O VAL A 10 -3.029 6.400 5.630 1.00 4.34 O ATOM 148 CB VAL A 10 -2.047 6.521 2.922 1.00 51.11 C ATOM 149 CG1 VAL A 10 -1.354 7.865 3.113 1.00 15.02 C ATOM 150 CG2 VAL A 10 -1.822 5.995 1.511 1.00 31.41 C ATOM 0 H VAL A 10 -2.899 4.152 3.086 1.00 13.43 H new ATOM 0 HA VAL A 10 -0.473 5.409 3.861 1.00 22.02 H new ATOM 0 HB VAL A 10 -3.117 6.669 3.067 1.00 51.11 H new ATOM 0 HG11 VAL A 10 -1.717 8.571 2.366 1.00 15.02 H new ATOM 0 HG12 VAL A 10 -1.571 8.248 4.110 1.00 15.02 H new ATOM 0 HG13 VAL A 10 -0.277 7.739 2.999 1.00 15.02 H new ATOM 0 HG21 VAL A 10 -2.176 6.730 0.788 1.00 31.41 H new ATOM 0 HG22 VAL A 10 -0.758 5.815 1.355 1.00 31.41 H new ATOM 0 HG23 VAL A 10 -2.371 5.063 1.378 1.00 31.41 H new ATOM 160 N THR A 11 -0.927 5.923 6.252 1.00 72.02 N ATOM 161 CA THR A 11 -1.141 6.273 7.642 1.00 31.30 C ATOM 162 C THR A 11 -0.456 7.586 8.001 1.00 73.25 C ATOM 163 O THR A 11 -0.146 7.839 9.165 1.00 20.20 O ATOM 164 CB THR A 11 -0.648 5.147 8.567 1.00 51.33 C ATOM 165 OG1 THR A 11 0.629 4.665 8.125 1.00 75.32 O ATOM 166 CG2 THR A 11 -1.650 4.005 8.591 1.00 32.03 C ATOM 0 H THR A 11 0.025 5.631 6.033 1.00 72.02 H new ATOM 0 HA THR A 11 -2.214 6.404 7.785 1.00 31.30 H new ATOM 0 HB THR A 11 -0.547 5.548 9.575 1.00 51.33 H new ATOM 0 HG1 THR A 11 1.015 5.300 7.486 1.00 75.32 H new ATOM 0 HG21 THR A 11 -1.287 3.216 9.250 1.00 32.03 H new ATOM 0 HG22 THR A 11 -2.609 4.370 8.957 1.00 32.03 H new ATOM 0 HG23 THR A 11 -1.773 3.608 7.583 1.00 32.03 H new ATOM 174 N ASN A 12 -0.227 8.420 6.994 1.00 21.24 N ATOM 175 CA ASN A 12 0.305 9.756 7.226 1.00 32.31 C ATOM 176 C ASN A 12 -0.789 10.623 7.837 1.00 4.23 C ATOM 177 O ASN A 12 -1.724 11.028 7.152 1.00 4.24 O ATOM 178 CB ASN A 12 0.810 10.381 5.919 1.00 72.33 C ATOM 179 CG ASN A 12 1.562 11.690 6.132 1.00 1.30 C ATOM 180 OD1 ASN A 12 1.343 12.405 7.112 1.00 34.43 O ATOM 181 ND2 ASN A 12 2.448 12.022 5.205 1.00 52.02 N ATOM 0 H ASN A 12 -0.400 8.196 6.014 1.00 21.24 H new ATOM 0 HA ASN A 12 1.151 9.690 7.910 1.00 32.31 H new ATOM 0 HB2 ASN A 12 1.465 9.671 5.413 1.00 72.33 H new ATOM 0 HB3 ASN A 12 -0.038 10.560 5.258 1.00 72.33 H new ATOM 0 HD21 ASN A 12 2.973 12.892 5.290 1.00 52.02 H new ATOM 0 HD22 ASN A 12 2.605 11.407 4.406 1.00 52.02 H new ATOM 188 N VAL A 13 -0.662 10.902 9.127 1.00 72.42 N ATOM 189 CA VAL A 13 -1.690 11.627 9.867 1.00 64.20 C ATOM 190 C VAL A 13 -1.849 13.055 9.338 1.00 24.32 C ATOM 191 O VAL A 13 -2.921 13.657 9.437 1.00 70.31 O ATOM 192 CB VAL A 13 -1.355 11.660 11.373 1.00 15.44 C ATOM 193 CG1 VAL A 13 -2.492 12.264 12.178 1.00 53.43 C ATOM 194 CG2 VAL A 13 -1.028 10.262 11.879 1.00 73.13 C ATOM 0 H VAL A 13 0.148 10.636 9.687 1.00 72.42 H new ATOM 0 HA VAL A 13 -2.633 11.099 9.725 1.00 64.20 H new ATOM 0 HB VAL A 13 -0.478 12.293 11.505 1.00 15.44 H new ATOM 0 HG11 VAL A 13 -2.225 12.273 13.235 1.00 53.43 H new ATOM 0 HG12 VAL A 13 -2.674 13.285 11.841 1.00 53.43 H new ATOM 0 HG13 VAL A 13 -3.394 11.669 12.037 1.00 53.43 H new ATOM 0 HG21 VAL A 13 -0.794 10.305 12.943 1.00 73.13 H new ATOM 0 HG22 VAL A 13 -1.886 9.608 11.722 1.00 73.13 H new ATOM 0 HG23 VAL A 13 -0.169 9.870 11.335 1.00 73.13 H new ATOM 204 N ASP A 14 -0.791 13.577 8.742 1.00 73.11 N ATOM 205 CA ASP A 14 -0.786 14.942 8.233 1.00 23.31 C ATOM 206 C ASP A 14 -1.352 15.008 6.816 1.00 71.51 C ATOM 207 O ASP A 14 -1.861 16.045 6.387 1.00 60.30 O ATOM 208 CB ASP A 14 0.642 15.498 8.270 1.00 65.20 C ATOM 209 CG ASP A 14 0.771 16.864 7.626 1.00 60.23 C ATOM 210 OD1 ASP A 14 0.149 17.822 8.124 1.00 62.23 O ATOM 211 OD2 ASP A 14 1.516 16.984 6.631 1.00 61.13 O ATOM 0 H ASP A 14 0.084 13.073 8.597 1.00 73.11 H new ATOM 0 HA ASP A 14 -1.427 15.552 8.870 1.00 23.31 H new ATOM 0 HB2 ASP A 14 0.973 15.560 9.307 1.00 65.20 H new ATOM 0 HB3 ASP A 14 1.309 14.801 7.763 1.00 65.20 H new ATOM 216 N ASP A 15 -1.304 13.891 6.106 1.00 52.34 N ATOM 217 CA ASP A 15 -1.718 13.864 4.706 1.00 25.42 C ATOM 218 C ASP A 15 -3.208 13.547 4.584 1.00 10.21 C ATOM 219 O ASP A 15 -3.798 12.930 5.472 1.00 12.52 O ATOM 220 CB ASP A 15 -0.898 12.838 3.920 1.00 51.42 C ATOM 221 CG ASP A 15 -1.084 12.973 2.423 1.00 53.01 C ATOM 222 OD1 ASP A 15 -2.047 12.400 1.888 1.00 73.31 O ATOM 223 OD2 ASP A 15 -0.275 13.678 1.784 1.00 25.04 O ATOM 0 H ASP A 15 -0.985 12.994 6.471 1.00 52.34 H new ATOM 0 HA ASP A 15 -1.539 14.853 4.285 1.00 25.42 H new ATOM 0 HB2 ASP A 15 0.158 12.957 4.164 1.00 51.42 H new ATOM 0 HB3 ASP A 15 -1.186 11.833 4.230 1.00 51.42 H new ATOM 228 N THR A 16 -3.810 13.966 3.477 1.00 52.25 N ATOM 229 CA THR A 16 -5.240 13.792 3.261 1.00 54.12 C ATOM 230 C THR A 16 -5.580 12.364 2.820 1.00 4.12 C ATOM 231 O THR A 16 -6.701 11.891 3.033 1.00 12.24 O ATOM 232 CB THR A 16 -5.758 14.802 2.216 1.00 21.14 C ATOM 233 OG1 THR A 16 -5.473 16.139 2.660 1.00 25.01 O ATOM 234 CG2 THR A 16 -7.256 14.653 1.984 1.00 14.42 C ATOM 0 H THR A 16 -3.325 14.432 2.710 1.00 52.25 H new ATOM 0 HA THR A 16 -5.735 13.976 4.214 1.00 54.12 H new ATOM 0 HB THR A 16 -5.250 14.601 1.273 1.00 21.14 H new ATOM 0 HG1 THR A 16 -5.800 16.781 1.996 1.00 25.01 H new ATOM 0 HG21 THR A 16 -7.583 15.381 1.242 1.00 14.42 H new ATOM 0 HG22 THR A 16 -7.470 13.647 1.624 1.00 14.42 H new ATOM 0 HG23 THR A 16 -7.788 14.824 2.920 1.00 14.42 H new ATOM 242 N TYR A 17 -4.608 11.661 2.244 1.00 43.54 N ATOM 243 CA TYR A 17 -4.835 10.298 1.767 1.00 73.42 C ATOM 244 C TYR A 17 -4.852 9.305 2.920 1.00 71.43 C ATOM 245 O TYR A 17 -4.844 8.089 2.712 1.00 12.52 O ATOM 246 CB TYR A 17 -3.780 9.895 0.728 1.00 72.31 C ATOM 247 CG TYR A 17 -3.920 10.606 -0.603 1.00 51.11 C ATOM 248 CD1 TYR A 17 -4.890 10.216 -1.518 1.00 45.14 C ATOM 249 CD2 TYR A 17 -3.085 11.662 -0.945 1.00 2.41 C ATOM 250 CE1 TYR A 17 -5.023 10.859 -2.734 1.00 22.43 C ATOM 251 CE2 TYR A 17 -3.214 12.310 -2.160 1.00 53.51 C ATOM 252 CZ TYR A 17 -4.185 11.903 -3.049 1.00 34.24 C ATOM 253 OH TYR A 17 -4.319 12.546 -4.258 1.00 31.24 O ATOM 0 H TYR A 17 -3.661 12.009 2.096 1.00 43.54 H new ATOM 0 HA TYR A 17 -5.814 10.278 1.288 1.00 73.42 H new ATOM 0 HB2 TYR A 17 -2.789 10.099 1.134 1.00 72.31 H new ATOM 0 HB3 TYR A 17 -3.842 8.820 0.562 1.00 72.31 H new ATOM 0 HD1 TYR A 17 -5.551 9.397 -1.275 1.00 45.14 H new ATOM 0 HD2 TYR A 17 -2.322 11.982 -0.251 1.00 2.41 H new ATOM 0 HE1 TYR A 17 -5.782 10.543 -3.434 1.00 22.43 H new ATOM 0 HE2 TYR A 17 -2.558 13.130 -2.411 1.00 53.51 H new ATOM 0 HH TYR A 17 -3.652 13.260 -4.324 1.00 31.24 H new ATOM 263 N TYR A 18 -4.909 9.837 4.129 1.00 71.22 N ATOM 264 CA TYR A 18 -4.985 9.034 5.339 1.00 24.40 C ATOM 265 C TYR A 18 -6.364 8.380 5.449 1.00 62.53 C ATOM 266 O TYR A 18 -7.242 8.866 6.163 1.00 23.32 O ATOM 267 CB TYR A 18 -4.685 9.910 6.567 1.00 75.23 C ATOM 268 CG TYR A 18 -4.882 9.221 7.904 1.00 51.24 C ATOM 269 CD1 TYR A 18 -4.045 8.190 8.316 1.00 2.43 C ATOM 270 CD2 TYR A 18 -5.909 9.612 8.756 1.00 70.32 C ATOM 271 CE1 TYR A 18 -4.231 7.566 9.536 1.00 35.05 C ATOM 272 CE2 TYR A 18 -6.101 8.995 9.975 1.00 33.32 C ATOM 273 CZ TYR A 18 -5.261 7.974 10.360 1.00 53.31 C ATOM 274 OH TYR A 18 -5.452 7.361 11.579 1.00 41.23 O ATOM 0 H TYR A 18 -4.904 10.842 4.300 1.00 71.22 H new ATOM 0 HA TYR A 18 -4.238 8.241 5.295 1.00 24.40 H new ATOM 0 HB2 TYR A 18 -3.655 10.260 6.503 1.00 75.23 H new ATOM 0 HB3 TYR A 18 -5.324 10.792 6.531 1.00 75.23 H new ATOM 0 HD1 TYR A 18 -3.237 7.872 7.673 1.00 2.43 H new ATOM 0 HD2 TYR A 18 -6.569 10.414 8.458 1.00 70.32 H new ATOM 0 HE1 TYR A 18 -3.575 6.765 9.842 1.00 35.05 H new ATOM 0 HE2 TYR A 18 -6.905 9.311 10.623 1.00 33.32 H new ATOM 0 HH TYR A 18 -6.218 7.769 12.034 1.00 41.23 H new ATOM 284 N ARG A 19 -6.546 7.307 4.679 1.00 52.25 N ATOM 285 CA ARG A 19 -7.786 6.533 4.647 1.00 71.43 C ATOM 286 C ARG A 19 -7.751 5.559 3.477 1.00 44.45 C ATOM 287 O ARG A 19 -8.488 4.577 3.451 1.00 3.21 O ATOM 288 CB ARG A 19 -9.031 7.428 4.524 1.00 43.13 C ATOM 289 CG ARG A 19 -9.150 8.185 3.209 1.00 33.11 C ATOM 290 CD ARG A 19 -10.363 9.102 3.223 1.00 51.32 C ATOM 291 NE ARG A 19 -10.595 9.760 1.935 1.00 61.55 N ATOM 292 CZ ARG A 19 -10.841 11.064 1.805 1.00 63.05 C ATOM 293 NH1 ARG A 19 -10.740 11.864 2.856 1.00 62.01 N ATOM 294 NH2 ARG A 19 -11.154 11.574 0.622 1.00 21.33 N ATOM 0 H ARG A 19 -5.827 6.947 4.052 1.00 52.25 H new ATOM 0 HA ARG A 19 -7.857 5.994 5.592 1.00 71.43 H new ATOM 0 HB2 ARG A 19 -9.919 6.809 4.652 1.00 43.13 H new ATOM 0 HB3 ARG A 19 -9.024 8.149 5.342 1.00 43.13 H new ATOM 0 HG2 ARG A 19 -8.247 8.771 3.038 1.00 33.11 H new ATOM 0 HG3 ARG A 19 -9.232 7.478 2.383 1.00 33.11 H new ATOM 0 HD2 ARG A 19 -11.246 8.524 3.494 1.00 51.32 H new ATOM 0 HD3 ARG A 19 -10.230 9.861 3.994 1.00 51.32 H new ATOM 0 HE ARG A 19 -10.567 9.189 1.090 1.00 61.55 H new ATOM 0 HH11 ARG A 19 -10.474 11.482 3.764 1.00 62.01 H new ATOM 0 HH12 ARG A 19 -10.928 12.862 2.757 1.00 62.01 H new ATOM 0 HH21 ARG A 19 -11.208 10.968 -0.197 1.00 21.33 H new ATOM 0 HH22 ARG A 19 -11.341 12.573 0.530 1.00 21.33 H new ATOM 308 N PHE A 20 -6.894 5.848 2.504 1.00 33.12 N ATOM 309 CA PHE A 20 -6.779 5.015 1.323 1.00 50.02 C ATOM 310 C PHE A 20 -5.740 3.922 1.514 1.00 44.30 C ATOM 311 O PHE A 20 -4.741 4.102 2.218 1.00 31.15 O ATOM 312 CB PHE A 20 -6.401 5.854 0.105 1.00 63.11 C ATOM 313 CG PHE A 20 -7.421 6.886 -0.285 1.00 64.03 C ATOM 314 CD1 PHE A 20 -8.533 6.532 -1.034 1.00 4.11 C ATOM 315 CD2 PHE A 20 -7.261 8.211 0.084 1.00 4.44 C ATOM 316 CE1 PHE A 20 -9.466 7.482 -1.404 1.00 23.54 C ATOM 317 CE2 PHE A 20 -8.188 9.166 -0.286 1.00 74.14 C ATOM 318 CZ PHE A 20 -9.293 8.801 -1.030 1.00 72.55 C ATOM 0 H PHE A 20 -6.270 6.655 2.514 1.00 33.12 H new ATOM 0 HA PHE A 20 -7.752 4.552 1.160 1.00 50.02 H new ATOM 0 HB2 PHE A 20 -5.454 6.356 0.305 1.00 63.11 H new ATOM 0 HB3 PHE A 20 -6.236 5.188 -0.742 1.00 63.11 H new ATOM 0 HD1 PHE A 20 -8.671 5.503 -1.331 1.00 4.11 H new ATOM 0 HD2 PHE A 20 -6.401 8.501 0.668 1.00 4.44 H new ATOM 0 HE1 PHE A 20 -10.330 7.194 -1.985 1.00 23.54 H new ATOM 0 HE2 PHE A 20 -8.049 10.196 0.006 1.00 74.14 H new ATOM 0 HZ PHE A 20 -10.020 9.545 -1.319 1.00 72.55 H new ATOM 328 N GLU A 21 -5.990 2.796 0.875 1.00 3.53 N ATOM 329 CA GLU A 21 -5.060 1.684 0.863 1.00 13.11 C ATOM 330 C GLU A 21 -4.785 1.308 -0.587 1.00 52.31 C ATOM 331 O GLU A 21 -5.701 0.934 -1.321 1.00 23.55 O ATOM 332 CB GLU A 21 -5.645 0.496 1.631 1.00 13.10 C ATOM 333 CG GLU A 21 -6.094 0.853 3.041 1.00 51.15 C ATOM 334 CD GLU A 21 -6.750 -0.304 3.763 1.00 53.23 C ATOM 335 OE1 GLU A 21 -7.790 -0.799 3.275 1.00 21.23 O ATOM 336 OE2 GLU A 21 -6.247 -0.706 4.832 1.00 74.11 O ATOM 0 H GLU A 21 -6.847 2.626 0.348 1.00 3.53 H new ATOM 0 HA GLU A 21 -4.128 1.967 1.352 1.00 13.11 H new ATOM 0 HB2 GLU A 21 -6.494 0.097 1.077 1.00 13.10 H new ATOM 0 HB3 GLU A 21 -4.898 -0.296 1.685 1.00 13.10 H new ATOM 0 HG2 GLU A 21 -5.232 1.191 3.616 1.00 51.15 H new ATOM 0 HG3 GLU A 21 -6.793 1.688 2.993 1.00 51.15 H new ATOM 343 N GLY A 22 -3.535 1.426 -1.003 1.00 50.25 N ATOM 344 CA GLY A 22 -3.219 1.275 -2.409 1.00 60.43 C ATOM 345 C GLY A 22 -2.115 0.274 -2.666 1.00 1.11 C ATOM 346 O GLY A 22 -1.531 -0.274 -1.729 1.00 12.03 O ATOM 0 H GLY A 22 -2.737 1.622 -0.398 1.00 50.25 H new ATOM 0 HA2 GLY A 22 -4.115 0.963 -2.945 1.00 60.43 H new ATOM 0 HA3 GLY A 22 -2.925 2.243 -2.815 1.00 60.43 H new ATOM 350 N LEU A 23 -1.823 0.041 -3.937 1.00 62.22 N ATOM 351 CA LEU A 23 -0.813 -0.917 -4.326 1.00 31.14 C ATOM 352 C LEU A 23 0.530 -0.231 -4.519 1.00 63.35 C ATOM 353 O LEU A 23 0.595 0.882 -5.042 1.00 21.43 O ATOM 354 CB LEU A 23 -1.245 -1.603 -5.617 1.00 20.24 C ATOM 355 CG LEU A 23 -2.529 -2.423 -5.518 1.00 71.11 C ATOM 356 CD1 LEU A 23 -2.874 -3.034 -6.863 1.00 63.42 C ATOM 357 CD2 LEU A 23 -2.393 -3.510 -4.463 1.00 30.20 C ATOM 0 H LEU A 23 -2.279 0.510 -4.719 1.00 62.22 H new ATOM 0 HA LEU A 23 -0.702 -1.661 -3.537 1.00 31.14 H new ATOM 0 HB2 LEU A 23 -1.376 -0.843 -6.387 1.00 20.24 H new ATOM 0 HB3 LEU A 23 -0.439 -2.258 -5.949 1.00 20.24 H new ATOM 0 HG LEU A 23 -3.338 -1.755 -5.221 1.00 71.11 H new ATOM 0 HD11 LEU A 23 -3.792 -3.615 -6.774 1.00 63.42 H new ATOM 0 HD12 LEU A 23 -3.016 -2.241 -7.597 1.00 63.42 H new ATOM 0 HD13 LEU A 23 -2.062 -3.686 -7.186 1.00 63.42 H new ATOM 0 HD21 LEU A 23 -3.319 -4.082 -4.409 1.00 30.20 H new ATOM 0 HD22 LEU A 23 -1.571 -4.174 -4.729 1.00 30.20 H new ATOM 0 HD23 LEU A 23 -2.192 -3.053 -3.494 1.00 30.20 H new ATOM 369 N VAL A 24 1.593 -0.891 -4.084 1.00 41.12 N ATOM 370 CA VAL A 24 2.945 -0.373 -4.262 1.00 51.31 C ATOM 371 C VAL A 24 3.483 -0.738 -5.637 1.00 51.32 C ATOM 372 O VAL A 24 3.633 -1.920 -5.956 1.00 24.13 O ATOM 373 CB VAL A 24 3.909 -0.926 -3.189 1.00 33.45 C ATOM 374 CG1 VAL A 24 5.312 -0.364 -3.376 1.00 53.22 C ATOM 375 CG2 VAL A 24 3.396 -0.617 -1.796 1.00 30.53 C ATOM 0 H VAL A 24 1.547 -1.790 -3.603 1.00 41.12 H new ATOM 0 HA VAL A 24 2.887 0.711 -4.163 1.00 51.31 H new ATOM 0 HB VAL A 24 3.957 -2.009 -3.307 1.00 33.45 H new ATOM 0 HG11 VAL A 24 5.971 -0.769 -2.608 1.00 53.22 H new ATOM 0 HG12 VAL A 24 5.687 -0.643 -4.361 1.00 53.22 H new ATOM 0 HG13 VAL A 24 5.283 0.722 -3.293 1.00 53.22 H new ATOM 0 HG21 VAL A 24 4.090 -1.015 -1.056 1.00 30.53 H new ATOM 0 HG22 VAL A 24 3.312 0.462 -1.670 1.00 30.53 H new ATOM 0 HG23 VAL A 24 2.417 -1.076 -1.659 1.00 30.53 H new ATOM 385 N GLN A 25 3.765 0.270 -6.450 1.00 22.44 N ATOM 386 CA GLN A 25 4.364 0.038 -7.762 1.00 1.12 C ATOM 387 C GLN A 25 5.838 -0.289 -7.612 1.00 0.01 C ATOM 388 O GLN A 25 6.376 -1.138 -8.321 1.00 55.13 O ATOM 389 CB GLN A 25 4.211 1.256 -8.678 1.00 51.21 C ATOM 390 CG GLN A 25 2.825 1.426 -9.279 1.00 45.31 C ATOM 391 CD GLN A 25 1.755 1.665 -8.241 1.00 33.43 C ATOM 392 OE1 GLN A 25 1.515 2.798 -7.839 1.00 54.21 O ATOM 393 NE2 GLN A 25 1.089 0.599 -7.820 1.00 32.24 N ATOM 0 H GLN A 25 3.591 1.251 -6.229 1.00 22.44 H new ATOM 0 HA GLN A 25 3.839 -0.802 -8.216 1.00 1.12 H new ATOM 0 HB2 GLN A 25 4.460 2.154 -8.112 1.00 51.21 H new ATOM 0 HB3 GLN A 25 4.937 1.179 -9.488 1.00 51.21 H new ATOM 0 HG2 GLN A 25 2.838 2.263 -9.978 1.00 45.31 H new ATOM 0 HG3 GLN A 25 2.573 0.535 -9.854 1.00 45.31 H new ATOM 0 HE21 GLN A 25 1.324 -0.325 -8.183 1.00 32.24 H new ATOM 0 HE22 GLN A 25 0.342 0.703 -7.133 1.00 32.24 H new ATOM 402 N ARG A 26 6.484 0.381 -6.670 1.00 3.24 N ATOM 403 CA ARG A 26 7.911 0.236 -6.471 1.00 64.21 C ATOM 404 C ARG A 26 8.345 0.931 -5.198 1.00 15.35 C ATOM 405 O ARG A 26 7.833 1.995 -4.846 1.00 2.14 O ATOM 406 CB ARG A 26 8.701 0.806 -7.656 1.00 11.35 C ATOM 407 CG ARG A 26 8.395 2.264 -7.966 1.00 34.10 C ATOM 408 CD ARG A 26 9.306 2.804 -9.055 1.00 15.10 C ATOM 409 NE ARG A 26 9.288 1.961 -10.249 1.00 64.25 N ATOM 410 CZ ARG A 26 9.283 2.426 -11.493 1.00 4.54 C ATOM 411 NH1 ARG A 26 9.322 3.735 -11.727 1.00 12.23 N ATOM 412 NH2 ARG A 26 9.253 1.572 -12.509 1.00 1.33 N ATOM 0 H ARG A 26 6.035 1.035 -6.029 1.00 3.24 H new ATOM 0 HA ARG A 26 8.122 -0.831 -6.392 1.00 64.21 H new ATOM 0 HB2 ARG A 26 9.767 0.706 -7.450 1.00 11.35 H new ATOM 0 HB3 ARG A 26 8.490 0.206 -8.541 1.00 11.35 H new ATOM 0 HG2 ARG A 26 7.355 2.360 -8.279 1.00 34.10 H new ATOM 0 HG3 ARG A 26 8.512 2.862 -7.062 1.00 34.10 H new ATOM 0 HD2 ARG A 26 8.996 3.815 -9.320 1.00 15.10 H new ATOM 0 HD3 ARG A 26 10.325 2.873 -8.675 1.00 15.10 H new ATOM 0 HE ARG A 26 9.279 0.949 -10.118 1.00 64.25 H new ATOM 0 HH11 ARG A 26 9.356 4.392 -10.947 1.00 12.23 H new ATOM 0 HH12 ARG A 26 9.318 4.082 -12.686 1.00 12.23 H new ATOM 0 HH21 ARG A 26 9.234 0.568 -12.331 1.00 1.33 H new ATOM 0 HH22 ARG A 26 9.249 1.920 -13.468 1.00 1.33 H new ATOM 426 N VAL A 27 9.262 0.300 -4.499 1.00 45.31 N ATOM 427 CA VAL A 27 9.924 0.913 -3.365 1.00 5.32 C ATOM 428 C VAL A 27 11.277 1.448 -3.817 1.00 4.14 C ATOM 429 O VAL A 27 12.193 0.677 -4.100 1.00 5.13 O ATOM 430 CB VAL A 27 10.123 -0.090 -2.206 1.00 63.22 C ATOM 431 CG1 VAL A 27 10.809 0.576 -1.024 1.00 15.00 C ATOM 432 CG2 VAL A 27 8.793 -0.693 -1.777 1.00 31.44 C ATOM 0 H VAL A 27 9.571 -0.651 -4.699 1.00 45.31 H new ATOM 0 HA VAL A 27 9.295 1.723 -2.995 1.00 5.32 H new ATOM 0 HB VAL A 27 10.765 -0.894 -2.566 1.00 63.22 H new ATOM 0 HG11 VAL A 27 10.938 -0.150 -0.221 1.00 15.00 H new ATOM 0 HG12 VAL A 27 11.784 0.951 -1.334 1.00 15.00 H new ATOM 0 HG13 VAL A 27 10.197 1.405 -0.668 1.00 15.00 H new ATOM 0 HG21 VAL A 27 8.959 -1.396 -0.960 1.00 31.44 H new ATOM 0 HG22 VAL A 27 8.125 0.101 -1.443 1.00 31.44 H new ATOM 0 HG23 VAL A 27 8.342 -1.216 -2.620 1.00 31.44 H new ATOM 442 N SER A 28 11.393 2.761 -3.904 1.00 60.24 N ATOM 443 CA SER A 28 12.604 3.393 -4.406 1.00 43.53 C ATOM 444 C SER A 28 13.597 3.647 -3.274 1.00 41.52 C ATOM 445 O SER A 28 14.240 4.697 -3.224 1.00 41.51 O ATOM 446 CB SER A 28 12.243 4.694 -5.121 1.00 24.25 C ATOM 447 OG SER A 28 11.321 5.462 -4.365 1.00 54.52 O ATOM 0 H SER A 28 10.659 3.415 -3.632 1.00 60.24 H new ATOM 0 HA SER A 28 13.085 2.722 -5.117 1.00 43.53 H new ATOM 0 HB2 SER A 28 13.147 5.277 -5.296 1.00 24.25 H new ATOM 0 HB3 SER A 28 11.815 4.467 -6.098 1.00 24.25 H new ATOM 0 HG SER A 28 11.111 6.289 -4.847 1.00 54.52 H new ATOM 453 N ASP A 29 13.716 2.657 -2.386 1.00 55.53 N ATOM 454 CA ASP A 29 14.641 2.698 -1.252 1.00 53.10 C ATOM 455 C ASP A 29 14.280 3.828 -0.286 1.00 53.55 C ATOM 456 O ASP A 29 14.754 4.956 -0.412 1.00 61.31 O ATOM 457 CB ASP A 29 16.089 2.836 -1.740 1.00 53.33 C ATOM 458 CG ASP A 29 17.103 2.731 -0.618 1.00 45.12 C ATOM 459 OD1 ASP A 29 17.243 1.633 -0.039 1.00 42.13 O ATOM 460 OD2 ASP A 29 17.786 3.736 -0.334 1.00 12.13 O ATOM 0 H ASP A 29 13.168 1.798 -2.435 1.00 55.53 H new ATOM 0 HA ASP A 29 14.552 1.757 -0.710 1.00 53.10 H new ATOM 0 HB2 ASP A 29 16.293 2.062 -2.480 1.00 53.33 H new ATOM 0 HB3 ASP A 29 16.208 3.796 -2.242 1.00 53.33 H new ATOM 465 N GLY A 30 13.416 3.512 0.671 1.00 35.31 N ATOM 466 CA GLY A 30 12.964 4.503 1.633 1.00 60.50 C ATOM 467 C GLY A 30 11.607 5.076 1.279 1.00 42.21 C ATOM 468 O GLY A 30 10.830 5.457 2.161 1.00 15.21 O ATOM 0 H GLY A 30 13.018 2.582 0.799 1.00 35.31 H new ATOM 0 HA2 GLY A 30 12.916 4.049 2.623 1.00 60.50 H new ATOM 0 HA3 GLY A 30 13.693 5.311 1.688 1.00 60.50 H new ATOM 472 N LYS A 31 11.319 5.136 -0.012 1.00 52.30 N ATOM 473 CA LYS A 31 10.068 5.671 -0.498 1.00 24.02 C ATOM 474 C LYS A 31 9.313 4.617 -1.303 1.00 24.21 C ATOM 475 O LYS A 31 9.897 3.624 -1.724 1.00 2.42 O ATOM 476 CB LYS A 31 10.363 6.887 -1.367 1.00 40.32 C ATOM 477 CG LYS A 31 10.782 8.122 -0.573 1.00 64.33 C ATOM 478 CD LYS A 31 11.521 9.128 -1.442 1.00 70.33 C ATOM 479 CE LYS A 31 10.695 9.568 -2.639 1.00 63.50 C ATOM 480 NZ LYS A 31 11.442 10.526 -3.497 1.00 73.44 N ATOM 0 H LYS A 31 11.949 4.814 -0.747 1.00 52.30 H new ATOM 0 HA LYS A 31 9.442 5.962 0.346 1.00 24.02 H new ATOM 0 HB2 LYS A 31 11.154 6.634 -2.073 1.00 40.32 H new ATOM 0 HB3 LYS A 31 9.476 7.127 -1.954 1.00 40.32 H new ATOM 0 HG2 LYS A 31 9.899 8.594 -0.142 1.00 64.33 H new ATOM 0 HG3 LYS A 31 11.420 7.821 0.258 1.00 64.33 H new ATOM 0 HD2 LYS A 31 11.783 10.000 -0.843 1.00 70.33 H new ATOM 0 HD3 LYS A 31 12.456 8.688 -1.790 1.00 70.33 H new ATOM 0 HE2 LYS A 31 10.413 8.695 -3.228 1.00 63.50 H new ATOM 0 HE3 LYS A 31 9.771 10.032 -2.294 1.00 63.50 H new ATOM 0 HZ1 LYS A 31 10.848 10.805 -4.304 1.00 73.44 H new ATOM 0 HZ2 LYS A 31 11.690 11.370 -2.941 1.00 73.44 H new ATOM 0 HZ3 LYS A 31 12.311 10.074 -3.846 1.00 73.44 H new ATOM 494 N ALA A 32 8.023 4.829 -1.509 1.00 23.53 N ATOM 495 CA ALA A 32 7.209 3.887 -2.266 1.00 71.43 C ATOM 496 C ALA A 32 6.148 4.614 -3.081 1.00 24.13 C ATOM 497 O ALA A 32 5.562 5.587 -2.615 1.00 22.14 O ATOM 498 CB ALA A 32 6.554 2.882 -1.332 1.00 73.23 C ATOM 0 H ALA A 32 7.516 5.644 -1.164 1.00 23.53 H new ATOM 0 HA ALA A 32 7.864 3.354 -2.955 1.00 71.43 H new ATOM 0 HB1 ALA A 32 5.950 2.186 -1.913 1.00 73.23 H new ATOM 0 HB2 ALA A 32 7.324 2.331 -0.792 1.00 73.23 H new ATOM 0 HB3 ALA A 32 5.918 3.408 -0.620 1.00 73.23 H new ATOM 504 N ALA A 33 5.911 4.143 -4.296 1.00 23.31 N ATOM 505 CA ALA A 33 4.893 4.721 -5.154 1.00 25.04 C ATOM 506 C ALA A 33 3.583 3.967 -4.968 1.00 31.21 C ATOM 507 O ALA A 33 3.510 2.767 -5.239 1.00 43.04 O ATOM 508 CB ALA A 33 5.340 4.672 -6.607 1.00 71.01 C ATOM 0 H ALA A 33 6.414 3.358 -4.710 1.00 23.31 H new ATOM 0 HA ALA A 33 4.741 5.765 -4.881 1.00 25.04 H new ATOM 0 HB1 ALA A 33 4.568 5.109 -7.240 1.00 71.01 H new ATOM 0 HB2 ALA A 33 6.265 5.236 -6.722 1.00 71.01 H new ATOM 0 HB3 ALA A 33 5.508 3.636 -6.901 1.00 71.01 H new ATOM 514 N VAL A 34 2.568 4.662 -4.475 1.00 13.13 N ATOM 515 CA VAL A 34 1.284 4.041 -4.190 1.00 74.44 C ATOM 516 C VAL A 34 0.241 4.469 -5.214 1.00 20.02 C ATOM 517 O VAL A 34 0.051 5.662 -5.461 1.00 50.25 O ATOM 518 CB VAL A 34 0.790 4.417 -2.777 1.00 55.14 C ATOM 519 CG1 VAL A 34 -0.502 3.690 -2.438 1.00 32.45 C ATOM 520 CG2 VAL A 34 1.864 4.127 -1.739 1.00 41.14 C ATOM 0 H VAL A 34 2.610 5.659 -4.264 1.00 13.13 H new ATOM 0 HA VAL A 34 1.423 2.961 -4.244 1.00 74.44 H new ATOM 0 HB VAL A 34 0.583 5.487 -2.765 1.00 55.14 H new ATOM 0 HG11 VAL A 34 -0.827 3.974 -1.437 1.00 32.45 H new ATOM 0 HG12 VAL A 34 -1.272 3.961 -3.160 1.00 32.45 H new ATOM 0 HG13 VAL A 34 -0.334 2.614 -2.474 1.00 32.45 H new ATOM 0 HG21 VAL A 34 1.497 4.399 -0.749 1.00 41.14 H new ATOM 0 HG22 VAL A 34 2.109 3.065 -1.756 1.00 41.14 H new ATOM 0 HG23 VAL A 34 2.757 4.709 -1.967 1.00 41.14 H new ATOM 530 N LEU A 35 -0.416 3.495 -5.820 1.00 35.13 N ATOM 531 CA LEU A 35 -1.483 3.771 -6.769 1.00 72.32 C ATOM 532 C LEU A 35 -2.823 3.885 -6.060 1.00 21.03 C ATOM 533 O LEU A 35 -3.230 2.984 -5.325 1.00 22.12 O ATOM 534 CB LEU A 35 -1.572 2.668 -7.822 1.00 72.10 C ATOM 535 CG LEU A 35 -2.539 2.940 -8.969 1.00 64.53 C ATOM 536 CD1 LEU A 35 -2.100 4.152 -9.776 1.00 41.42 C ATOM 537 CD2 LEU A 35 -2.665 1.718 -9.864 1.00 4.02 C ATOM 0 H LEU A 35 -0.229 2.503 -5.672 1.00 35.13 H new ATOM 0 HA LEU A 35 -1.250 4.718 -7.255 1.00 72.32 H new ATOM 0 HB2 LEU A 35 -0.578 2.504 -8.238 1.00 72.10 H new ATOM 0 HB3 LEU A 35 -1.869 1.742 -7.330 1.00 72.10 H new ATOM 0 HG LEU A 35 -3.518 3.156 -8.541 1.00 64.53 H new ATOM 0 HD11 LEU A 35 -2.807 4.324 -10.588 1.00 41.42 H new ATOM 0 HD12 LEU A 35 -2.070 5.029 -9.129 1.00 41.42 H new ATOM 0 HD13 LEU A 35 -1.108 3.973 -10.191 1.00 41.42 H new ATOM 0 HD21 LEU A 35 -3.359 1.932 -10.676 1.00 4.02 H new ATOM 0 HD22 LEU A 35 -1.688 1.468 -10.278 1.00 4.02 H new ATOM 0 HD23 LEU A 35 -3.038 0.876 -9.280 1.00 4.02 H new ATOM 549 N PHE A 36 -3.499 4.994 -6.287 1.00 4.14 N ATOM 550 CA PHE A 36 -4.846 5.181 -5.782 1.00 14.22 C ATOM 551 C PHE A 36 -5.842 4.982 -6.912 1.00 3.35 C ATOM 552 O PHE A 36 -5.585 5.377 -8.050 1.00 43.11 O ATOM 553 CB PHE A 36 -5.011 6.571 -5.169 1.00 15.43 C ATOM 554 CG PHE A 36 -4.069 6.832 -4.031 1.00 71.23 C ATOM 555 CD1 PHE A 36 -4.335 6.329 -2.770 1.00 11.54 C ATOM 556 CD2 PHE A 36 -2.910 7.566 -4.225 1.00 4.52 C ATOM 557 CE1 PHE A 36 -3.467 6.556 -1.722 1.00 63.11 C ATOM 558 CE2 PHE A 36 -2.038 7.794 -3.181 1.00 20.45 C ATOM 559 CZ PHE A 36 -2.316 7.288 -1.928 1.00 23.51 C ATOM 0 H PHE A 36 -3.136 5.784 -6.821 1.00 4.14 H new ATOM 0 HA PHE A 36 -5.033 4.445 -5.000 1.00 14.22 H new ATOM 0 HB2 PHE A 36 -4.853 7.323 -5.942 1.00 15.43 H new ATOM 0 HB3 PHE A 36 -6.036 6.686 -4.817 1.00 15.43 H new ATOM 0 HD1 PHE A 36 -5.233 5.752 -2.604 1.00 11.54 H new ATOM 0 HD2 PHE A 36 -2.687 7.964 -5.204 1.00 4.52 H new ATOM 0 HE1 PHE A 36 -3.688 6.161 -0.741 1.00 63.11 H new ATOM 0 HE2 PHE A 36 -1.138 8.368 -3.344 1.00 20.45 H new ATOM 0 HZ PHE A 36 -1.634 7.465 -1.110 1.00 23.51 H new ATOM 569 N GLU A 37 -6.969 4.369 -6.594 1.00 23.44 N ATOM 570 CA GLU A 37 -7.959 4.015 -7.598 1.00 31.42 C ATOM 571 C GLU A 37 -9.360 4.196 -7.023 1.00 12.22 C ATOM 572 O GLU A 37 -9.715 3.575 -6.018 1.00 23.11 O ATOM 573 CB GLU A 37 -7.725 2.561 -8.037 1.00 2.10 C ATOM 574 CG GLU A 37 -8.344 2.189 -9.377 1.00 5.30 C ATOM 575 CD GLU A 37 -9.852 2.072 -9.332 1.00 25.14 C ATOM 576 OE1 GLU A 37 -10.360 1.140 -8.672 1.00 62.13 O ATOM 577 OE2 GLU A 37 -10.532 2.907 -9.953 1.00 61.51 O ATOM 0 H GLU A 37 -7.223 4.104 -5.642 1.00 23.44 H new ATOM 0 HA GLU A 37 -7.864 4.665 -8.468 1.00 31.42 H new ATOM 0 HB2 GLU A 37 -6.651 2.380 -8.086 1.00 2.10 H new ATOM 0 HB3 GLU A 37 -8.125 1.897 -7.271 1.00 2.10 H new ATOM 0 HG2 GLU A 37 -8.067 2.940 -10.117 1.00 5.30 H new ATOM 0 HG3 GLU A 37 -7.923 1.241 -9.712 1.00 5.30 H new ATOM 584 N ASN A 38 -10.145 5.065 -7.645 1.00 34.13 N ATOM 585 CA ASN A 38 -11.501 5.326 -7.189 1.00 54.11 C ATOM 586 C ASN A 38 -12.455 5.421 -8.371 1.00 2.22 C ATOM 587 O ASN A 38 -12.636 6.493 -8.958 1.00 52.14 O ATOM 588 CB ASN A 38 -11.560 6.612 -6.359 1.00 3.44 C ATOM 589 CG ASN A 38 -12.940 6.866 -5.776 1.00 3.24 C ATOM 590 OD1 ASN A 38 -13.669 5.934 -5.439 1.00 32.52 O ATOM 591 ND2 ASN A 38 -13.301 8.133 -5.641 1.00 34.23 N ATOM 0 H ASN A 38 -9.865 5.601 -8.467 1.00 34.13 H new ATOM 0 HA ASN A 38 -11.809 4.493 -6.557 1.00 54.11 H new ATOM 0 HB2 ASN A 38 -10.833 6.552 -5.549 1.00 3.44 H new ATOM 0 HB3 ASN A 38 -11.272 7.457 -6.984 1.00 3.44 H new ATOM 0 HD21 ASN A 38 -14.212 8.364 -5.245 1.00 34.23 H new ATOM 0 HD22 ASN A 38 -12.668 8.878 -5.933 1.00 34.23 H new ATOM 598 N GLY A 39 -13.040 4.288 -8.731 1.00 3.52 N ATOM 599 CA GLY A 39 -13.999 4.250 -9.814 1.00 12.32 C ATOM 600 C GLY A 39 -13.340 4.349 -11.175 1.00 52.55 C ATOM 601 O GLY A 39 -12.981 3.338 -11.777 1.00 64.00 O ATOM 0 H GLY A 39 -12.865 3.387 -8.287 1.00 3.52 H new ATOM 0 HA2 GLY A 39 -14.570 3.324 -9.757 1.00 12.32 H new ATOM 0 HA3 GLY A 39 -14.708 5.070 -9.696 1.00 12.32 H new ATOM 605 N ASN A 40 -13.213 5.571 -11.673 1.00 61.44 N ATOM 606 CA ASN A 40 -12.539 5.824 -12.939 1.00 43.25 C ATOM 607 C ASN A 40 -11.272 6.633 -12.712 1.00 44.44 C ATOM 608 O ASN A 40 -10.440 6.780 -13.604 1.00 11.34 O ATOM 609 CB ASN A 40 -13.457 6.583 -13.902 1.00 72.42 C ATOM 610 CG ASN A 40 -14.619 5.745 -14.393 1.00 71.42 C ATOM 611 OD1 ASN A 40 -14.525 4.523 -14.493 1.00 75.41 O ATOM 612 ND2 ASN A 40 -15.721 6.401 -14.717 1.00 33.24 N ATOM 0 H ASN A 40 -13.571 6.409 -11.215 1.00 61.44 H new ATOM 0 HA ASN A 40 -12.281 4.861 -13.379 1.00 43.25 H new ATOM 0 HB2 ASN A 40 -13.842 7.472 -13.403 1.00 72.42 H new ATOM 0 HB3 ASN A 40 -12.875 6.924 -14.758 1.00 72.42 H new ATOM 0 HD21 ASN A 40 -16.534 5.892 -15.065 1.00 33.24 H new ATOM 0 HD22 ASN A 40 -15.758 7.416 -14.619 1.00 33.24 H new ATOM 619 N TRP A 41 -11.134 7.155 -11.507 1.00 62.13 N ATOM 620 CA TRP A 41 -10.003 8.006 -11.167 1.00 33.34 C ATOM 621 C TRP A 41 -8.830 7.189 -10.651 1.00 72.21 C ATOM 622 O TRP A 41 -9.000 6.240 -9.886 1.00 21.43 O ATOM 623 CB TRP A 41 -10.419 9.059 -10.135 1.00 53.54 C ATOM 624 CG TRP A 41 -9.276 9.826 -9.536 1.00 51.52 C ATOM 625 CD1 TRP A 41 -8.605 10.870 -10.101 1.00 43.21 C ATOM 626 CD2 TRP A 41 -8.684 9.622 -8.247 1.00 72.32 C ATOM 627 NE1 TRP A 41 -7.624 11.318 -9.251 1.00 15.22 N ATOM 628 CE2 TRP A 41 -7.654 10.568 -8.105 1.00 41.44 C ATOM 629 CE3 TRP A 41 -8.924 8.726 -7.203 1.00 1.12 C ATOM 630 CZ2 TRP A 41 -6.866 10.643 -6.959 1.00 21.25 C ATOM 631 CZ3 TRP A 41 -8.144 8.801 -6.067 1.00 24.12 C ATOM 632 CH2 TRP A 41 -7.123 9.753 -5.953 1.00 13.13 C ATOM 0 H TRP A 41 -11.793 7.005 -10.743 1.00 62.13 H new ATOM 0 HA TRP A 41 -9.680 8.513 -12.076 1.00 33.34 H new ATOM 0 HB2 TRP A 41 -11.104 9.762 -10.608 1.00 53.54 H new ATOM 0 HB3 TRP A 41 -10.970 8.567 -9.334 1.00 53.54 H new ATOM 0 HD1 TRP A 41 -8.815 11.285 -11.076 1.00 43.21 H new ATOM 0 HE1 TRP A 41 -6.978 12.084 -9.442 1.00 15.22 H new ATOM 0 HE3 TRP A 41 -9.707 7.987 -7.283 1.00 1.12 H new ATOM 0 HZ2 TRP A 41 -6.080 11.378 -6.868 1.00 21.25 H new ATOM 0 HZ3 TRP A 41 -8.324 8.115 -5.253 1.00 24.12 H new ATOM 0 HH2 TRP A 41 -6.527 9.785 -5.053 1.00 13.13 H new ATOM 643 N ASP A 42 -7.644 7.572 -11.081 1.00 24.25 N ATOM 644 CA ASP A 42 -6.420 6.933 -10.629 1.00 51.33 C ATOM 645 C ASP A 42 -5.342 7.976 -10.427 1.00 22.33 C ATOM 646 O ASP A 42 -5.376 9.048 -11.036 1.00 21.10 O ATOM 647 CB ASP A 42 -5.933 5.862 -11.614 1.00 43.04 C ATOM 648 CG ASP A 42 -5.288 6.436 -12.865 1.00 72.44 C ATOM 649 OD1 ASP A 42 -6.022 6.823 -13.802 1.00 43.01 O ATOM 650 OD2 ASP A 42 -4.040 6.477 -12.928 1.00 11.33 O ATOM 0 H ASP A 42 -7.500 8.329 -11.749 1.00 24.25 H new ATOM 0 HA ASP A 42 -6.636 6.436 -9.683 1.00 51.33 H new ATOM 0 HB2 ASP A 42 -5.216 5.215 -11.109 1.00 43.04 H new ATOM 0 HB3 ASP A 42 -6.777 5.236 -11.905 1.00 43.04 H new ATOM 655 N LYS A 43 -4.400 7.663 -9.561 1.00 34.40 N ATOM 656 CA LYS A 43 -3.312 8.577 -9.264 1.00 12.24 C ATOM 657 C LYS A 43 -2.175 7.844 -8.572 1.00 71.03 C ATOM 658 O LYS A 43 -2.365 7.237 -7.521 1.00 60.43 O ATOM 659 CB LYS A 43 -3.809 9.729 -8.390 1.00 54.21 C ATOM 660 CG LYS A 43 -2.792 10.840 -8.209 1.00 71.24 C ATOM 661 CD LYS A 43 -3.334 11.955 -7.333 1.00 63.23 C ATOM 662 CE LYS A 43 -2.317 13.072 -7.159 1.00 32.41 C ATOM 663 NZ LYS A 43 -2.027 13.773 -8.439 1.00 2.44 N ATOM 0 H LYS A 43 -4.364 6.782 -9.049 1.00 34.40 H new ATOM 0 HA LYS A 43 -2.939 8.986 -10.203 1.00 12.24 H new ATOM 0 HB2 LYS A 43 -4.714 10.145 -8.833 1.00 54.21 H new ATOM 0 HB3 LYS A 43 -4.085 9.338 -7.411 1.00 54.21 H new ATOM 0 HG2 LYS A 43 -1.884 10.434 -7.763 1.00 71.24 H new ATOM 0 HG3 LYS A 43 -2.515 11.243 -9.183 1.00 71.24 H new ATOM 0 HD2 LYS A 43 -4.245 12.357 -7.776 1.00 63.23 H new ATOM 0 HD3 LYS A 43 -3.605 11.553 -6.357 1.00 63.23 H new ATOM 0 HE2 LYS A 43 -2.691 13.791 -6.430 1.00 32.41 H new ATOM 0 HE3 LYS A 43 -1.392 12.660 -6.755 1.00 32.41 H new ATOM 0 HZ1 LYS A 43 -1.479 14.636 -8.246 1.00 2.44 H new ATOM 0 HZ2 LYS A 43 -1.478 13.146 -9.061 1.00 2.44 H new ATOM 0 HZ3 LYS A 43 -2.921 14.028 -8.906 1.00 2.44 H new ATOM 677 N LEU A 44 -1.001 7.888 -9.182 1.00 65.22 N ATOM 678 CA LEU A 44 0.193 7.303 -8.594 1.00 5.02 C ATOM 679 C LEU A 44 0.911 8.358 -7.760 1.00 53.33 C ATOM 680 O LEU A 44 1.402 9.354 -8.294 1.00 41.15 O ATOM 681 CB LEU A 44 1.108 6.753 -9.704 1.00 70.43 C ATOM 682 CG LEU A 44 2.322 5.932 -9.245 1.00 44.23 C ATOM 683 CD1 LEU A 44 2.793 5.022 -10.369 1.00 15.31 C ATOM 684 CD2 LEU A 44 3.465 6.839 -8.804 1.00 74.44 C ATOM 0 H LEU A 44 -0.850 8.326 -10.091 1.00 65.22 H new ATOM 0 HA LEU A 44 -0.082 6.473 -7.943 1.00 5.02 H new ATOM 0 HB2 LEU A 44 0.506 6.131 -10.366 1.00 70.43 H new ATOM 0 HB3 LEU A 44 1.469 7.593 -10.297 1.00 70.43 H new ATOM 0 HG LEU A 44 2.015 5.327 -8.392 1.00 44.23 H new ATOM 0 HD11 LEU A 44 3.654 4.444 -10.033 1.00 15.31 H new ATOM 0 HD12 LEU A 44 1.988 4.343 -10.649 1.00 15.31 H new ATOM 0 HD13 LEU A 44 3.075 5.626 -11.232 1.00 15.31 H new ATOM 0 HD21 LEU A 44 4.310 6.230 -8.485 1.00 74.44 H new ATOM 0 HD22 LEU A 44 3.769 7.473 -9.637 1.00 74.44 H new ATOM 0 HD23 LEU A 44 3.134 7.464 -7.975 1.00 74.44 H new ATOM 696 N VAL A 45 0.951 8.149 -6.451 1.00 31.32 N ATOM 697 CA VAL A 45 1.590 9.095 -5.546 1.00 42.01 C ATOM 698 C VAL A 45 2.679 8.407 -4.731 1.00 35.23 C ATOM 699 O VAL A 45 2.450 7.357 -4.130 1.00 53.10 O ATOM 700 CB VAL A 45 0.573 9.746 -4.580 1.00 24.53 C ATOM 701 CG1 VAL A 45 1.244 10.796 -3.712 1.00 63.35 C ATOM 702 CG2 VAL A 45 -0.587 10.359 -5.344 1.00 14.14 C ATOM 0 H VAL A 45 0.548 7.332 -5.992 1.00 31.32 H new ATOM 0 HA VAL A 45 2.029 9.877 -6.165 1.00 42.01 H new ATOM 0 HB VAL A 45 0.182 8.961 -3.932 1.00 24.53 H new ATOM 0 HG11 VAL A 45 0.507 11.239 -3.042 1.00 63.35 H new ATOM 0 HG12 VAL A 45 2.036 10.331 -3.125 1.00 63.35 H new ATOM 0 HG13 VAL A 45 1.671 11.573 -4.346 1.00 63.35 H new ATOM 0 HG21 VAL A 45 -1.288 10.810 -4.641 1.00 14.14 H new ATOM 0 HG22 VAL A 45 -0.211 11.124 -6.023 1.00 14.14 H new ATOM 0 HG23 VAL A 45 -1.096 9.584 -5.916 1.00 14.14 H new ATOM 712 N THR A 46 3.864 8.993 -4.723 1.00 44.12 N ATOM 713 CA THR A 46 4.971 8.461 -3.951 1.00 15.42 C ATOM 714 C THR A 46 4.901 8.949 -2.505 1.00 71.23 C ATOM 715 O THR A 46 4.702 10.138 -2.245 1.00 60.23 O ATOM 716 CB THR A 46 6.317 8.887 -4.555 1.00 22.44 C ATOM 717 OG1 THR A 46 6.222 8.906 -5.986 1.00 50.22 O ATOM 718 CG2 THR A 46 7.432 7.939 -4.134 1.00 72.43 C ATOM 0 H THR A 46 4.084 9.841 -5.245 1.00 44.12 H new ATOM 0 HA THR A 46 4.895 7.374 -3.975 1.00 15.42 H new ATOM 0 HB THR A 46 6.554 9.885 -4.186 1.00 22.44 H new ATOM 0 HG1 THR A 46 7.082 9.180 -6.367 1.00 50.22 H new ATOM 0 HG21 THR A 46 8.373 8.265 -4.576 1.00 72.43 H new ATOM 0 HG22 THR A 46 7.521 7.942 -3.048 1.00 72.43 H new ATOM 0 HG23 THR A 46 7.201 6.930 -4.476 1.00 72.43 H new ATOM 726 N PHE A 47 5.061 8.026 -1.577 1.00 72.15 N ATOM 727 CA PHE A 47 5.063 8.343 -0.157 1.00 73.51 C ATOM 728 C PHE A 47 6.296 7.755 0.506 1.00 44.34 C ATOM 729 O PHE A 47 7.147 7.163 -0.158 1.00 74.10 O ATOM 730 CB PHE A 47 3.810 7.802 0.535 1.00 1.43 C ATOM 731 CG PHE A 47 2.560 8.587 0.256 1.00 64.00 C ATOM 732 CD1 PHE A 47 2.311 9.773 0.926 1.00 65.11 C ATOM 733 CD2 PHE A 47 1.628 8.133 -0.663 1.00 41.40 C ATOM 734 CE1 PHE A 47 1.159 10.493 0.683 1.00 60.35 C ATOM 735 CE2 PHE A 47 0.473 8.850 -0.909 1.00 13.13 C ATOM 736 CZ PHE A 47 0.238 10.032 -0.235 1.00 21.32 C ATOM 0 H PHE A 47 5.193 7.036 -1.783 1.00 72.15 H new ATOM 0 HA PHE A 47 5.072 9.428 -0.058 1.00 73.51 H new ATOM 0 HB2 PHE A 47 3.654 6.770 0.222 1.00 1.43 H new ATOM 0 HB3 PHE A 47 3.982 7.786 1.611 1.00 1.43 H new ATOM 0 HD1 PHE A 47 3.027 10.139 1.647 1.00 65.11 H new ATOM 0 HD2 PHE A 47 1.806 7.209 -1.193 1.00 41.40 H new ATOM 0 HE1 PHE A 47 0.978 11.417 1.211 1.00 60.35 H new ATOM 0 HE2 PHE A 47 -0.246 8.486 -1.628 1.00 13.13 H new ATOM 0 HZ PHE A 47 -0.664 10.594 -0.426 1.00 21.32 H new ATOM 746 N ARG A 48 6.383 7.913 1.815 1.00 4.21 N ATOM 747 CA ARG A 48 7.490 7.370 2.579 1.00 12.35 C ATOM 748 C ARG A 48 7.049 6.079 3.256 1.00 63.12 C ATOM 749 O ARG A 48 5.860 5.875 3.501 1.00 21.43 O ATOM 750 CB ARG A 48 7.953 8.385 3.623 1.00 15.15 C ATOM 751 CG ARG A 48 8.225 9.765 3.046 1.00 42.10 C ATOM 752 CD ARG A 48 8.265 10.836 4.129 1.00 11.44 C ATOM 753 NE ARG A 48 9.563 10.923 4.809 1.00 21.41 N ATOM 754 CZ ARG A 48 9.703 10.920 6.136 1.00 61.12 C ATOM 755 NH1 ARG A 48 8.678 10.614 6.916 1.00 33.43 N ATOM 756 NH2 ARG A 48 10.881 11.177 6.689 1.00 74.22 N ATOM 0 H ARG A 48 5.694 8.417 2.374 1.00 4.21 H new ATOM 0 HA ARG A 48 8.324 7.158 1.910 1.00 12.35 H new ATOM 0 HB2 ARG A 48 7.193 8.468 4.400 1.00 15.15 H new ATOM 0 HB3 ARG A 48 8.859 8.015 4.102 1.00 15.15 H new ATOM 0 HG2 ARG A 48 9.175 9.754 2.511 1.00 42.10 H new ATOM 0 HG3 ARG A 48 7.452 10.013 2.318 1.00 42.10 H new ATOM 0 HD2 ARG A 48 8.030 11.803 3.684 1.00 11.44 H new ATOM 0 HD3 ARG A 48 7.489 10.627 4.866 1.00 11.44 H new ATOM 0 HE ARG A 48 10.404 10.989 4.236 1.00 21.41 H new ATOM 0 HH11 ARG A 48 7.775 10.379 6.503 1.00 33.43 H new ATOM 0 HH12 ARG A 48 8.791 10.613 7.930 1.00 33.43 H new ATOM 0 HH21 ARG A 48 11.688 11.379 6.099 1.00 74.22 H new ATOM 0 HH22 ARG A 48 10.980 11.173 7.704 1.00 74.22 H new ATOM 770 N LEU A 49 8.006 5.233 3.585 1.00 65.25 N ATOM 771 CA LEU A 49 7.716 3.915 4.137 1.00 22.12 C ATOM 772 C LEU A 49 7.338 4.026 5.600 1.00 62.31 C ATOM 773 O LEU A 49 6.668 3.154 6.150 1.00 72.22 O ATOM 774 CB LEU A 49 8.919 2.979 3.985 1.00 34.02 C ATOM 775 CG LEU A 49 9.310 2.643 2.546 1.00 40.51 C ATOM 776 CD1 LEU A 49 10.510 1.711 2.522 1.00 0.23 C ATOM 777 CD2 LEU A 49 8.142 2.013 1.807 1.00 32.41 C ATOM 0 H LEU A 49 9.001 5.433 3.480 1.00 65.25 H new ATOM 0 HA LEU A 49 6.877 3.497 3.580 1.00 22.12 H new ATOM 0 HB2 LEU A 49 9.777 3.434 4.480 1.00 34.02 H new ATOM 0 HB3 LEU A 49 8.703 2.049 4.512 1.00 34.02 H new ATOM 0 HG LEU A 49 9.580 3.571 2.042 1.00 40.51 H new ATOM 0 HD11 LEU A 49 10.773 1.483 1.489 1.00 0.23 H new ATOM 0 HD12 LEU A 49 11.355 2.193 3.014 1.00 0.23 H new ATOM 0 HD13 LEU A 49 10.264 0.787 3.046 1.00 0.23 H new ATOM 0 HD21 LEU A 49 8.441 1.781 0.785 1.00 32.41 H new ATOM 0 HD22 LEU A 49 7.843 1.096 2.314 1.00 32.41 H new ATOM 0 HD23 LEU A 49 7.303 2.709 1.791 1.00 32.41 H new ATOM 789 N SER A 50 7.773 5.104 6.222 1.00 4.31 N ATOM 790 CA SER A 50 7.407 5.383 7.596 1.00 50.32 C ATOM 791 C SER A 50 5.963 5.860 7.672 1.00 5.25 C ATOM 792 O SER A 50 5.335 5.819 8.732 1.00 2.44 O ATOM 793 CB SER A 50 8.361 6.428 8.178 1.00 65.34 C ATOM 794 OG SER A 50 8.700 7.408 7.203 1.00 24.34 O ATOM 0 H SER A 50 8.382 5.803 5.796 1.00 4.31 H new ATOM 0 HA SER A 50 7.489 4.469 8.185 1.00 50.32 H new ATOM 0 HB2 SER A 50 7.897 6.911 9.038 1.00 65.34 H new ATOM 0 HB3 SER A 50 9.266 5.939 8.537 1.00 65.34 H new ATOM 0 HG SER A 50 7.904 7.933 6.977 1.00 24.34 H new ATOM 800 N GLU A 51 5.433 6.290 6.533 1.00 74.20 N ATOM 801 CA GLU A 51 4.068 6.816 6.480 1.00 3.23 C ATOM 802 C GLU A 51 3.090 5.764 5.983 1.00 72.05 C ATOM 803 O GLU A 51 1.878 5.989 5.958 1.00 63.45 O ATOM 804 CB GLU A 51 3.996 8.056 5.586 1.00 11.33 C ATOM 805 CG GLU A 51 4.392 9.346 6.287 1.00 61.12 C ATOM 806 CD GLU A 51 5.736 9.252 6.971 1.00 53.01 C ATOM 807 OE1 GLU A 51 6.734 8.994 6.280 1.00 51.34 O ATOM 808 OE2 GLU A 51 5.795 9.413 8.203 1.00 23.14 O ATOM 0 H GLU A 51 5.921 6.286 5.637 1.00 74.20 H new ATOM 0 HA GLU A 51 3.787 7.096 7.495 1.00 3.23 H new ATOM 0 HB2 GLU A 51 4.646 7.908 4.724 1.00 11.33 H new ATOM 0 HB3 GLU A 51 2.980 8.158 5.205 1.00 11.33 H new ATOM 0 HG2 GLU A 51 4.416 10.157 5.559 1.00 61.12 H new ATOM 0 HG3 GLU A 51 3.631 9.602 7.024 1.00 61.12 H new ATOM 815 N LEU A 52 3.615 4.616 5.598 1.00 22.04 N ATOM 816 CA LEU A 52 2.797 3.549 5.060 1.00 12.14 C ATOM 817 C LEU A 52 2.924 2.300 5.915 1.00 12.42 C ATOM 818 O LEU A 52 4.031 1.871 6.233 1.00 31.04 O ATOM 819 CB LEU A 52 3.242 3.232 3.633 1.00 22.03 C ATOM 820 CG LEU A 52 3.134 4.386 2.632 1.00 4.43 C ATOM 821 CD1 LEU A 52 3.775 3.996 1.310 1.00 0.32 C ATOM 822 CD2 LEU A 52 1.680 4.776 2.422 1.00 74.43 C ATOM 0 H LEU A 52 4.610 4.399 5.649 1.00 22.04 H new ATOM 0 HA LEU A 52 1.756 3.873 5.059 1.00 12.14 H new ATOM 0 HB2 LEU A 52 4.278 2.896 3.661 1.00 22.03 H new ATOM 0 HB3 LEU A 52 2.646 2.398 3.263 1.00 22.03 H new ATOM 0 HG LEU A 52 3.665 5.247 3.037 1.00 4.43 H new ATOM 0 HD11 LEU A 52 3.692 4.825 0.607 1.00 0.32 H new ATOM 0 HD12 LEU A 52 4.827 3.761 1.471 1.00 0.32 H new ATOM 0 HD13 LEU A 52 3.266 3.122 0.903 1.00 0.32 H new ATOM 0 HD21 LEU A 52 1.623 5.597 1.708 1.00 74.43 H new ATOM 0 HD22 LEU A 52 1.126 3.920 2.036 1.00 74.43 H new ATOM 0 HD23 LEU A 52 1.247 5.090 3.372 1.00 74.43 H new ATOM 834 N GLU A 53 1.802 1.715 6.299 1.00 52.52 N ATOM 835 CA GLU A 53 1.842 0.434 6.975 1.00 14.53 C ATOM 836 C GLU A 53 1.429 -0.656 6.000 1.00 75.03 C ATOM 837 O GLU A 53 0.476 -0.490 5.233 1.00 52.05 O ATOM 838 CB GLU A 53 0.967 0.410 8.236 1.00 62.44 C ATOM 839 CG GLU A 53 -0.526 0.544 7.988 1.00 73.43 C ATOM 840 CD GLU A 53 -1.344 0.145 9.203 1.00 13.11 C ATOM 841 OE1 GLU A 53 -1.594 1.006 10.075 1.00 30.34 O ATOM 842 OE2 GLU A 53 -1.734 -1.040 9.295 1.00 72.42 O ATOM 0 H GLU A 53 0.868 2.100 6.157 1.00 52.52 H new ATOM 0 HA GLU A 53 2.863 0.256 7.312 1.00 14.53 H new ATOM 0 HB2 GLU A 53 1.149 -0.524 8.768 1.00 62.44 H new ATOM 0 HB3 GLU A 53 1.284 1.219 8.895 1.00 62.44 H new ATOM 0 HG2 GLU A 53 -0.757 1.574 7.718 1.00 73.43 H new ATOM 0 HG3 GLU A 53 -0.810 -0.079 7.140 1.00 73.43 H new ATOM 849 N ALA A 54 2.172 -1.750 6.002 1.00 24.43 N ATOM 850 CA ALA A 54 1.934 -2.835 5.071 1.00 23.13 C ATOM 851 C ALA A 54 0.684 -3.606 5.458 1.00 51.20 C ATOM 852 O ALA A 54 0.519 -4.005 6.613 1.00 73.41 O ATOM 853 CB ALA A 54 3.143 -3.759 5.019 1.00 54.41 C ATOM 0 H ALA A 54 2.949 -1.909 6.643 1.00 24.43 H new ATOM 0 HA ALA A 54 1.778 -2.414 4.078 1.00 23.13 H new ATOM 0 HB1 ALA A 54 2.951 -4.570 4.316 1.00 54.41 H new ATOM 0 HB2 ALA A 54 4.018 -3.196 4.694 1.00 54.41 H new ATOM 0 HB3 ALA A 54 3.327 -4.174 6.010 1.00 54.41 H new ATOM 859 N VAL A 55 -0.204 -3.792 4.499 1.00 0.12 N ATOM 860 CA VAL A 55 -1.408 -4.563 4.724 1.00 64.31 C ATOM 861 C VAL A 55 -1.220 -5.945 4.116 1.00 70.52 C ATOM 862 O VAL A 55 -0.265 -6.178 3.370 1.00 44.10 O ATOM 863 CB VAL A 55 -2.653 -3.894 4.096 1.00 33.01 C ATOM 864 CG1 VAL A 55 -3.933 -4.380 4.759 1.00 62.05 C ATOM 865 CG2 VAL A 55 -2.555 -2.376 4.168 1.00 12.32 C ATOM 0 H VAL A 55 -0.112 -3.418 3.555 1.00 0.12 H new ATOM 0 HA VAL A 55 -1.576 -4.627 5.799 1.00 64.31 H new ATOM 0 HB VAL A 55 -2.686 -4.183 3.046 1.00 33.01 H new ATOM 0 HG11 VAL A 55 -4.791 -3.892 4.296 1.00 62.05 H new ATOM 0 HG12 VAL A 55 -4.020 -5.460 4.635 1.00 62.05 H new ATOM 0 HG13 VAL A 55 -3.907 -4.137 5.821 1.00 62.05 H new ATOM 0 HG21 VAL A 55 -3.444 -1.932 3.719 1.00 12.32 H new ATOM 0 HG22 VAL A 55 -2.481 -2.065 5.210 1.00 12.32 H new ATOM 0 HG23 VAL A 55 -1.670 -2.042 3.626 1.00 12.32 H new ATOM 875 N LYS A 56 -2.116 -6.850 4.431 1.00 61.43 N ATOM 876 CA LYS A 56 -2.039 -8.205 3.931 1.00 3.32 C ATOM 877 C LYS A 56 -3.070 -8.402 2.835 1.00 24.34 C ATOM 878 O LYS A 56 -4.191 -7.904 2.942 1.00 34.33 O ATOM 879 CB LYS A 56 -2.258 -9.208 5.070 1.00 74.14 C ATOM 880 CG LYS A 56 -1.003 -9.526 5.879 1.00 61.42 C ATOM 881 CD LYS A 56 -0.366 -8.275 6.461 1.00 14.11 C ATOM 882 CE LYS A 56 0.856 -8.596 7.309 1.00 51.23 C ATOM 883 NZ LYS A 56 0.492 -9.272 8.581 1.00 42.44 N ATOM 0 H LYS A 56 -2.916 -6.671 5.038 1.00 61.43 H new ATOM 0 HA LYS A 56 -1.046 -8.378 3.516 1.00 3.32 H new ATOM 0 HB2 LYS A 56 -3.020 -8.814 5.743 1.00 74.14 H new ATOM 0 HB3 LYS A 56 -2.651 -10.135 4.652 1.00 74.14 H new ATOM 0 HG2 LYS A 56 -1.257 -10.212 6.687 1.00 61.42 H new ATOM 0 HG3 LYS A 56 -0.281 -10.037 5.242 1.00 61.42 H new ATOM 0 HD2 LYS A 56 -0.079 -7.605 5.651 1.00 14.11 H new ATOM 0 HD3 LYS A 56 -1.099 -7.745 7.069 1.00 14.11 H new ATOM 0 HE2 LYS A 56 1.533 -9.234 6.741 1.00 51.23 H new ATOM 0 HE3 LYS A 56 1.395 -7.675 7.530 1.00 51.23 H new ATOM 0 HZ1 LYS A 56 1.341 -9.381 9.172 1.00 42.44 H new ATOM 0 HZ2 LYS A 56 -0.212 -8.700 9.089 1.00 42.44 H new ATOM 0 HZ3 LYS A 56 0.092 -10.210 8.374 1.00 42.44 H new ATOM 897 N PRO A 57 -2.693 -9.094 1.752 1.00 61.31 N ATOM 898 CA PRO A 57 -3.606 -9.393 0.646 1.00 73.53 C ATOM 899 C PRO A 57 -4.865 -10.100 1.130 1.00 3.33 C ATOM 900 O PRO A 57 -4.812 -10.902 2.069 1.00 63.00 O ATOM 901 CB PRO A 57 -2.782 -10.315 -0.259 1.00 70.11 C ATOM 902 CG PRO A 57 -1.366 -9.978 0.053 1.00 3.23 C ATOM 903 CD PRO A 57 -1.343 -9.639 1.516 1.00 72.14 C ATOM 0 HA PRO A 57 -3.955 -8.492 0.142 1.00 73.53 H new ATOM 0 HB2 PRO A 57 -2.994 -11.364 -0.055 1.00 70.11 H new ATOM 0 HB3 PRO A 57 -3.008 -10.143 -1.311 1.00 70.11 H new ATOM 0 HG2 PRO A 57 -0.706 -10.818 -0.165 1.00 3.23 H new ATOM 0 HG3 PRO A 57 -1.021 -9.137 -0.549 1.00 3.23 H new ATOM 0 HD2 PRO A 57 -1.150 -10.518 2.131 1.00 72.14 H new ATOM 0 HD3 PRO A 57 -0.567 -8.910 1.749 1.00 72.14 H new ATOM 911 N ILE A 58 -5.996 -9.792 0.501 1.00 73.21 N ATOM 912 CA ILE A 58 -7.266 -10.381 0.896 1.00 54.33 C ATOM 913 C ILE A 58 -7.194 -11.893 0.745 1.00 40.53 C ATOM 914 O ILE A 58 -6.508 -12.412 -0.139 1.00 43.10 O ATOM 915 CB ILE A 58 -8.472 -9.854 0.073 1.00 1.01 C ATOM 916 CG1 ILE A 58 -8.379 -8.340 -0.176 1.00 31.11 C ATOM 917 CG2 ILE A 58 -9.777 -10.181 0.789 1.00 61.01 C ATOM 918 CD1 ILE A 58 -7.516 -7.956 -1.363 1.00 5.54 C ATOM 0 H ILE A 58 -6.056 -9.140 -0.281 1.00 73.21 H new ATOM 0 HA ILE A 58 -7.431 -10.093 1.934 1.00 54.33 H new ATOM 0 HB ILE A 58 -8.450 -10.352 -0.896 1.00 1.01 H new ATOM 0 HG12 ILE A 58 -9.384 -7.946 -0.329 1.00 31.11 H new ATOM 0 HG13 ILE A 58 -7.981 -7.860 0.718 1.00 31.11 H new ATOM 0 HG21 ILE A 58 -10.617 -9.807 0.203 1.00 61.01 H new ATOM 0 HG22 ILE A 58 -9.868 -11.261 0.905 1.00 61.01 H new ATOM 0 HG23 ILE A 58 -9.781 -9.709 1.772 1.00 61.01 H new ATOM 0 HD11 ILE A 58 -7.504 -6.871 -1.468 1.00 5.54 H new ATOM 0 HD12 ILE A 58 -6.499 -8.317 -1.206 1.00 5.54 H new ATOM 0 HD13 ILE A 58 -7.924 -8.404 -2.269 1.00 5.54 H new ATOM 930 N LEU A 59 -7.909 -12.587 1.598 1.00 23.52 N ATOM 931 CA LEU A 59 -7.810 -14.029 1.665 1.00 64.35 C ATOM 932 C LEU A 59 -9.197 -14.651 1.583 1.00 60.25 C ATOM 933 O LEU A 59 -10.056 -14.404 2.431 1.00 11.24 O ATOM 934 CB LEU A 59 -7.109 -14.441 2.966 1.00 11.44 C ATOM 935 CG LEU A 59 -6.333 -15.766 2.928 1.00 21.25 C ATOM 936 CD1 LEU A 59 -5.549 -15.946 4.215 1.00 53.11 C ATOM 937 CD2 LEU A 59 -7.263 -16.953 2.715 1.00 1.42 C ATOM 0 H LEU A 59 -8.569 -12.176 2.259 1.00 23.52 H new ATOM 0 HA LEU A 59 -7.221 -14.389 0.822 1.00 64.35 H new ATOM 0 HB2 LEU A 59 -6.418 -13.647 3.249 1.00 11.44 H new ATOM 0 HB3 LEU A 59 -7.859 -14.506 3.754 1.00 11.44 H new ATOM 0 HG LEU A 59 -5.643 -15.725 2.085 1.00 21.25 H new ATOM 0 HD11 LEU A 59 -5.002 -16.888 4.179 1.00 53.11 H new ATOM 0 HD12 LEU A 59 -4.845 -15.122 4.331 1.00 53.11 H new ATOM 0 HD13 LEU A 59 -6.236 -15.958 5.061 1.00 53.11 H new ATOM 0 HD21 LEU A 59 -6.679 -17.873 2.694 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -7.985 -17.000 3.530 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -7.791 -16.836 1.769 1.00 1.42 H new ATOM 949 N GLU A 60 -9.411 -15.435 0.544 1.00 32.52 N ATOM 950 CA GLU A 60 -10.636 -16.193 0.391 1.00 14.35 C ATOM 951 C GLU A 60 -10.289 -17.661 0.217 1.00 34.00 C ATOM 952 O GLU A 60 -9.256 -17.988 -0.362 1.00 71.25 O ATOM 953 CB GLU A 60 -11.459 -15.657 -0.791 1.00 61.03 C ATOM 954 CG GLU A 60 -10.666 -15.453 -2.077 1.00 23.21 C ATOM 955 CD GLU A 60 -10.657 -16.667 -2.986 1.00 22.45 C ATOM 956 OE1 GLU A 60 -11.673 -16.901 -3.675 1.00 73.22 O ATOM 957 OE2 GLU A 60 -9.632 -17.374 -3.040 1.00 23.45 O ATOM 0 H GLU A 60 -8.742 -15.564 -0.215 1.00 32.52 H new ATOM 0 HA GLU A 60 -11.253 -16.084 1.283 1.00 14.35 H new ATOM 0 HB2 GLU A 60 -12.277 -16.349 -0.990 1.00 61.03 H new ATOM 0 HB3 GLU A 60 -11.908 -14.707 -0.502 1.00 61.03 H new ATOM 0 HG2 GLU A 60 -11.084 -14.606 -2.621 1.00 23.21 H new ATOM 0 HG3 GLU A 60 -9.639 -15.193 -1.823 1.00 23.21 H new ATOM 964 N HIS A 61 -11.112 -18.543 0.753 1.00 74.33 N ATOM 965 CA HIS A 61 -10.836 -19.965 0.663 1.00 53.44 C ATOM 966 C HIS A 61 -12.045 -20.714 0.134 1.00 4.20 C ATOM 967 O HIS A 61 -13.088 -20.766 0.785 1.00 55.42 O ATOM 968 CB HIS A 61 -10.423 -20.525 2.030 1.00 24.42 C ATOM 969 CG HIS A 61 -9.890 -21.928 1.964 1.00 51.53 C ATOM 970 ND1 HIS A 61 -10.358 -22.961 2.752 1.00 3.32 N ATOM 971 CD2 HIS A 61 -8.910 -22.461 1.197 1.00 52.23 C ATOM 972 CE1 HIS A 61 -9.687 -24.063 2.468 1.00 4.11 C ATOM 973 NE2 HIS A 61 -8.808 -23.786 1.529 1.00 42.43 N ATOM 0 H HIS A 61 -11.969 -18.303 1.251 1.00 74.33 H new ATOM 0 HA HIS A 61 -10.009 -20.105 -0.033 1.00 53.44 H new ATOM 0 HB2 HIS A 61 -9.663 -19.876 2.466 1.00 24.42 H new ATOM 0 HB3 HIS A 61 -11.284 -20.502 2.699 1.00 24.42 H new ATOM 0 HD2 HIS A 61 -8.318 -21.938 0.460 1.00 52.23 H new ATOM 0 HE1 HIS A 61 -9.835 -25.028 2.929 1.00 4.11 H new ATOM 0 HE2 HIS A 61 -8.155 -24.451 1.115 1.00 42.43 H new ATOM 982 N HIS A 62 -11.903 -21.277 -1.057 1.00 34.34 N ATOM 983 CA HIS A 62 -12.962 -22.080 -1.653 1.00 24.43 C ATOM 984 C HIS A 62 -13.177 -23.332 -0.817 1.00 42.44 C ATOM 985 O HIS A 62 -12.270 -24.152 -0.668 1.00 52.13 O ATOM 986 CB HIS A 62 -12.610 -22.445 -3.100 1.00 51.42 C ATOM 987 CG HIS A 62 -12.279 -21.252 -3.947 1.00 70.10 C ATOM 988 ND1 HIS A 62 -11.321 -21.263 -4.934 1.00 3.41 N ATOM 989 CD2 HIS A 62 -12.767 -19.990 -3.918 1.00 64.33 C ATOM 990 CE1 HIS A 62 -11.235 -20.062 -5.473 1.00 75.01 C ATOM 991 NE2 HIS A 62 -12.100 -19.264 -4.873 1.00 53.13 N ATOM 0 H HIS A 62 -11.064 -21.193 -1.631 1.00 34.34 H new ATOM 0 HA HIS A 62 -13.886 -21.502 -1.670 1.00 24.43 H new ATOM 0 HB2 HIS A 62 -11.761 -23.129 -3.099 1.00 51.42 H new ATOM 0 HB3 HIS A 62 -13.448 -22.979 -3.547 1.00 51.42 H new ATOM 0 HD2 HIS A 62 -13.541 -19.621 -3.262 1.00 64.33 H new ATOM 0 HE1 HIS A 62 -10.567 -19.778 -6.273 1.00 75.01 H new ATOM 0 HE2 HIS A 62 -12.247 -18.277 -5.083 1.00 53.13 H new ATOM 1000 N HIS A 63 -14.372 -23.470 -0.268 1.00 4.25 N ATOM 1001 CA HIS A 63 -14.649 -24.516 0.703 1.00 43.13 C ATOM 1002 C HIS A 63 -15.999 -25.178 0.438 1.00 63.20 C ATOM 1003 O HIS A 63 -17.031 -24.510 0.365 1.00 2.51 O ATOM 1004 CB HIS A 63 -14.613 -23.923 2.120 1.00 75.41 C ATOM 1005 CG HIS A 63 -14.935 -24.896 3.215 1.00 12.54 C ATOM 1006 ND1 HIS A 63 -16.123 -24.872 3.913 1.00 11.12 N ATOM 1007 CD2 HIS A 63 -14.205 -25.900 3.756 1.00 51.11 C ATOM 1008 CE1 HIS A 63 -16.107 -25.812 4.838 1.00 31.34 C ATOM 1009 NE2 HIS A 63 -14.957 -26.454 4.766 1.00 24.11 N ATOM 0 H HIS A 63 -15.169 -22.869 -0.479 1.00 4.25 H new ATOM 0 HA HIS A 63 -13.882 -25.285 0.611 1.00 43.13 H new ATOM 0 HB2 HIS A 63 -13.621 -23.509 2.301 1.00 75.41 H new ATOM 0 HB3 HIS A 63 -15.319 -23.094 2.170 1.00 75.41 H new ATOM 0 HD2 HIS A 63 -13.216 -26.209 3.451 1.00 51.11 H new ATOM 0 HE1 HIS A 63 -16.903 -26.021 5.538 1.00 31.34 H new ATOM 0 HE2 HIS A 63 -14.672 -27.232 5.361 1.00 24.11 H new ATOM 1018 N HIS A 64 -15.975 -26.495 0.286 1.00 11.32 N ATOM 1019 CA HIS A 64 -17.202 -27.274 0.186 1.00 23.43 C ATOM 1020 C HIS A 64 -17.799 -27.437 1.578 1.00 71.43 C ATOM 1021 O HIS A 64 -17.057 -27.562 2.551 1.00 63.12 O ATOM 1022 CB HIS A 64 -16.936 -28.650 -0.452 1.00 55.25 C ATOM 1023 CG HIS A 64 -16.093 -29.576 0.383 1.00 1.40 C ATOM 1024 ND1 HIS A 64 -16.551 -30.778 0.873 1.00 1.41 N ATOM 1025 CD2 HIS A 64 -14.810 -29.471 0.802 1.00 41.02 C ATOM 1026 CE1 HIS A 64 -15.589 -31.370 1.558 1.00 75.14 C ATOM 1027 NE2 HIS A 64 -14.519 -30.598 1.530 1.00 14.43 N ATOM 0 H HIS A 64 -15.119 -27.047 0.229 1.00 11.32 H new ATOM 0 HA HIS A 64 -17.907 -26.747 -0.457 1.00 23.43 H new ATOM 0 HB2 HIS A 64 -17.892 -29.133 -0.654 1.00 55.25 H new ATOM 0 HB3 HIS A 64 -16.445 -28.501 -1.414 1.00 55.25 H new ATOM 0 HD2 HIS A 64 -14.138 -28.650 0.600 1.00 41.02 H new ATOM 0 HE1 HIS A 64 -15.665 -32.325 2.057 1.00 75.14 H new ATOM 0 HE2 HIS A 64 -13.625 -30.804 1.975 1.00 14.43 H new ATOM 1036 N HIS A 65 -19.123 -27.422 1.674 1.00 2.13 N ATOM 1037 CA HIS A 65 -19.800 -27.501 2.968 1.00 4.15 C ATOM 1038 C HIS A 65 -19.441 -28.782 3.711 1.00 13.21 C ATOM 1039 O HIS A 65 -19.921 -29.865 3.376 1.00 34.51 O ATOM 1040 CB HIS A 65 -21.320 -27.407 2.794 1.00 24.22 C ATOM 1041 CG HIS A 65 -22.084 -27.518 4.084 1.00 44.32 C ATOM 1042 ND1 HIS A 65 -23.062 -28.464 4.303 1.00 3.12 N ATOM 1043 CD2 HIS A 65 -22.009 -26.788 5.223 1.00 70.51 C ATOM 1044 CE1 HIS A 65 -23.555 -28.312 5.518 1.00 70.14 C ATOM 1045 NE2 HIS A 65 -22.933 -27.301 6.097 1.00 24.15 N ATOM 0 H HIS A 65 -19.751 -27.356 0.873 1.00 2.13 H new ATOM 0 HA HIS A 65 -19.458 -26.655 3.564 1.00 4.15 H new ATOM 0 HB2 HIS A 65 -21.564 -26.457 2.318 1.00 24.22 H new ATOM 0 HB3 HIS A 65 -21.649 -28.196 2.118 1.00 24.22 H new ATOM 0 HD2 HIS A 65 -21.345 -25.957 5.408 1.00 70.51 H new ATOM 0 HE1 HIS A 65 -24.335 -28.912 5.963 1.00 70.14 H new ATOM 0 HE2 HIS A 65 -23.111 -26.958 7.041 1.00 24.15 H new ATOM 1054 N HIS A 66 -18.588 -28.637 4.714 1.00 5.12 N ATOM 1055 CA HIS A 66 -18.203 -29.736 5.581 1.00 21.21 C ATOM 1056 C HIS A 66 -17.335 -29.202 6.706 1.00 12.25 C ATOM 1057 O HIS A 66 -16.116 -29.061 6.500 1.00 38.23 O ATOM 1058 CB HIS A 66 -17.445 -30.819 4.808 1.00 24.11 C ATOM 1059 CG HIS A 66 -17.269 -32.084 5.591 1.00 21.32 C ATOM 1060 ND1 HIS A 66 -16.071 -32.471 6.152 1.00 61.21 N ATOM 1061 CD2 HIS A 66 -18.161 -33.049 5.914 1.00 2.01 C ATOM 1062 CE1 HIS A 66 -16.236 -33.617 6.784 1.00 35.55 C ATOM 1063 NE2 HIS A 66 -17.494 -33.986 6.655 1.00 2.33 N ATOM 1064 OXT HIS A 66 -17.883 -28.887 7.781 1.00 38.23 O ATOM 0 H HIS A 66 -18.143 -27.750 4.949 1.00 5.12 H new ATOM 0 HA HIS A 66 -19.107 -30.189 5.988 1.00 21.21 H new ATOM 0 HB2 HIS A 66 -17.981 -31.041 3.885 1.00 24.11 H new ATOM 0 HB3 HIS A 66 -16.465 -30.436 4.523 1.00 24.11 H new ATOM 0 HD2 HIS A 66 -19.205 -33.075 5.638 1.00 2.01 H new ATOM 0 HE1 HIS A 66 -15.470 -34.161 7.317 1.00 35.55 H new ATOM 0 HE2 HIS A 66 -17.905 -34.834 7.045 1.00 2.33 H new TER 1073 HIS A 66