USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 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 19 GLN : amide:sc= 0.045 X(o=-0.32,f=-0.39) USER MOD Set 1.2: A 70 GLN :FLIP amide:sc= -0.369 X(o=-0.39,f=-0.32) USER MOD Set 2.1: A 18 SER OG : rot -79:sc= 2.07 USER MOD Set 2.2: A 40 TYR OH : rot 12:sc= 0.0751 USER MOD Set 2.3: A 71 THR OG1 : rot 78:sc= -0.95 USER MOD Set 2.4: A 74 ASN : amide:sc= 0.118 K(o=1.3,f=-1.7!) USER MOD Set 3.1: A 9 ASN : amide:sc= -0.183 X(o=-0.6,f=-0.59) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.416 K(o=-0.6,f=-4.6!) USER MOD Set 4.1: A 3 SER OG : rot 180:sc= -0.0201 USER MOD Set 4.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.16 (180deg=-1.47!) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.109 (180deg=-0.109) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 20 SER OG : rot 71:sc= 1.02 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 36 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.19) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 43 SER OG : rot 79:sc= 1.1 USER MOD Single : A 46 THR OG1 : rot 77:sc= 1.04 USER MOD Single : A 48 MET CE :methyl -126:sc= -0.456 (180deg=-3.59!) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.306) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 152:sc= -1.15 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.27) USER MOD Single : A 63 MET CE :methyl 176:sc= -1.42 (180deg=-1.47) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= 0.504 (180deg=0.284) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -131:sc= -1.33 (180deg=-3.35!) USER MOD Single : A 83 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.282 K(o=-0.28,f=-4.2!) USER MOD Single : A 90 SER OG : rot -42:sc= 0.7 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -170:sc= -0.135 USER MOD Single : A 99 GLN : amide:sc= -1 K(o=-1,f=-2.9!) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.0384 (180deg=-0.214) USER MOD Single : A 101 SER OG : rot -145:sc= 0.511 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 104 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -176:sc=-0.00112 (180deg=-0.0128) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.137 3.108 21.392 1.00 20.14 N ATOM 2 CA MET A 1 2.112 2.324 20.136 1.00 65.15 C ATOM 3 C MET A 1 1.040 2.880 19.156 1.00 64.42 C ATOM 4 O MET A 1 0.942 2.402 18.028 1.00 73.50 O ATOM 5 CB MET A 1 1.880 0.807 20.462 1.00 61.22 C ATOM 6 CG MET A 1 1.972 -0.146 19.258 1.00 20.20 C ATOM 7 SD MET A 1 1.593 -1.863 19.668 1.00 22.30 S ATOM 8 CE MET A 1 1.617 -2.608 18.034 1.00 44.00 C ATOM 0 H1 MET A 1 2.860 2.718 22.030 1.00 20.14 H new ATOM 0 H2 MET A 1 2.363 4.100 21.177 1.00 20.14 H new ATOM 0 H3 MET A 1 1.206 3.057 21.852 1.00 20.14 H new ATOM 0 HA MET A 1 3.076 2.418 19.636 1.00 65.15 H new ATOM 0 HB2 MET A 1 2.613 0.496 21.207 1.00 61.22 H new ATOM 0 HB3 MET A 1 0.896 0.697 20.917 1.00 61.22 H new ATOM 0 HG2 MET A 1 1.286 0.194 18.482 1.00 20.20 H new ATOM 0 HG3 MET A 1 2.977 -0.094 18.840 1.00 20.20 H new ATOM 0 HE1 MET A 1 1.862 -3.667 18.120 1.00 44.00 H new ATOM 0 HE2 MET A 1 0.637 -2.499 17.570 1.00 44.00 H new ATOM 0 HE3 MET A 1 2.367 -2.111 17.419 1.00 44.00 H new ATOM 20 N THR A 2 0.273 3.926 19.573 1.00 64.14 N ATOM 21 CA THR A 2 -0.802 4.538 18.745 1.00 52.42 C ATOM 22 C THR A 2 -0.296 4.975 17.345 1.00 50.40 C ATOM 23 O THR A 2 -1.029 4.857 16.354 1.00 41.21 O ATOM 24 CB THR A 2 -1.458 5.762 19.487 1.00 11.40 C ATOM 25 OG1 THR A 2 -0.434 6.537 20.128 1.00 70.44 O ATOM 26 CG2 THR A 2 -2.504 5.335 20.536 1.00 34.14 C ATOM 0 H THR A 2 0.383 4.365 20.487 1.00 64.14 H new ATOM 0 HA THR A 2 -1.556 3.765 18.596 1.00 52.42 H new ATOM 0 HB THR A 2 -1.977 6.353 18.733 1.00 11.40 H new ATOM 0 HG1 THR A 2 -0.841 7.300 20.589 1.00 70.44 H new ATOM 0 HG21 THR A 2 -2.922 6.221 21.015 1.00 34.14 H new ATOM 0 HG22 THR A 2 -3.302 4.776 20.047 1.00 34.14 H new ATOM 0 HG23 THR A 2 -2.029 4.706 21.289 1.00 34.14 H new ATOM 34 N SER A 3 0.965 5.450 17.285 1.00 62.35 N ATOM 35 CA SER A 3 1.636 5.842 16.025 1.00 72.32 C ATOM 36 C SER A 3 1.771 4.627 15.082 1.00 31.35 C ATOM 37 O SER A 3 1.425 4.698 13.892 1.00 4.02 O ATOM 38 CB SER A 3 3.030 6.433 16.346 1.00 71.42 C ATOM 39 OG SER A 3 3.809 5.502 17.086 1.00 21.24 O ATOM 0 H SER A 3 1.550 5.574 18.111 1.00 62.35 H new ATOM 0 HA SER A 3 1.033 6.597 15.520 1.00 72.32 H new ATOM 0 HB2 SER A 3 3.544 6.691 15.420 1.00 71.42 H new ATOM 0 HB3 SER A 3 2.918 7.356 16.916 1.00 71.42 H new ATOM 0 HG SER A 3 4.688 5.891 17.279 1.00 21.24 H new ATOM 45 N THR A 4 2.260 3.509 15.658 1.00 22.20 N ATOM 46 CA THR A 4 2.470 2.245 14.941 1.00 21.41 C ATOM 47 C THR A 4 1.131 1.632 14.489 1.00 43.20 C ATOM 48 O THR A 4 1.043 1.095 13.393 1.00 75.13 O ATOM 49 CB THR A 4 3.256 1.220 15.832 1.00 65.52 C ATOM 50 OG1 THR A 4 4.432 1.840 16.377 1.00 40.42 O ATOM 51 CG2 THR A 4 3.679 -0.034 15.046 1.00 30.25 C ATOM 0 H THR A 4 2.521 3.463 16.643 1.00 22.20 H new ATOM 0 HA THR A 4 3.064 2.466 14.054 1.00 21.41 H new ATOM 0 HB THR A 4 2.580 0.912 16.630 1.00 65.52 H new ATOM 0 HG1 THR A 4 4.915 1.193 16.933 1.00 40.42 H new ATOM 0 HG21 THR A 4 4.219 -0.712 15.706 1.00 30.25 H new ATOM 0 HG22 THR A 4 2.793 -0.536 14.657 1.00 30.25 H new ATOM 0 HG23 THR A 4 4.325 0.257 14.217 1.00 30.25 H new ATOM 59 N VAL A 5 0.086 1.754 15.335 1.00 14.11 N ATOM 60 CA VAL A 5 -1.255 1.203 15.049 1.00 34.14 C ATOM 61 C VAL A 5 -1.885 1.922 13.846 1.00 32.30 C ATOM 62 O VAL A 5 -2.432 1.267 12.956 1.00 24.02 O ATOM 63 CB VAL A 5 -2.205 1.283 16.309 1.00 2.30 C ATOM 64 CG1 VAL A 5 -3.657 0.835 15.972 1.00 31.55 C ATOM 65 CG2 VAL A 5 -1.628 0.454 17.482 1.00 54.10 C ATOM 0 H VAL A 5 0.148 2.235 16.232 1.00 14.11 H new ATOM 0 HA VAL A 5 -1.132 0.148 14.803 1.00 34.14 H new ATOM 0 HB VAL A 5 -2.254 2.328 16.615 1.00 2.30 H new ATOM 0 HG11 VAL A 5 -4.276 0.905 16.866 1.00 31.55 H new ATOM 0 HG12 VAL A 5 -4.066 1.481 15.195 1.00 31.55 H new ATOM 0 HG13 VAL A 5 -3.647 -0.196 15.618 1.00 31.55 H new ATOM 0 HG21 VAL A 5 -2.297 0.522 18.340 1.00 54.10 H new ATOM 0 HG22 VAL A 5 -1.533 -0.589 17.178 1.00 54.10 H new ATOM 0 HG23 VAL A 5 -0.647 0.844 17.755 1.00 54.10 H new ATOM 75 N GLU A 6 -1.777 3.271 13.824 1.00 2.45 N ATOM 76 CA GLU A 6 -2.214 4.079 12.671 1.00 73.43 C ATOM 77 C GLU A 6 -1.416 3.706 11.413 1.00 41.21 C ATOM 78 O GLU A 6 -1.992 3.572 10.348 1.00 71.12 O ATOM 79 CB GLU A 6 -2.081 5.600 12.960 1.00 22.13 C ATOM 80 CG GLU A 6 -3.009 6.129 14.071 1.00 70.40 C ATOM 81 CD GLU A 6 -4.510 6.070 13.713 1.00 13.14 C ATOM 82 OE1 GLU A 6 -5.053 7.084 13.216 1.00 15.32 O ATOM 83 OE2 GLU A 6 -5.154 5.027 13.943 1.00 12.21 O ATOM 0 H GLU A 6 -1.391 3.819 14.593 1.00 2.45 H new ATOM 0 HA GLU A 6 -3.267 3.860 12.497 1.00 73.43 H new ATOM 0 HB2 GLU A 6 -1.048 5.815 13.235 1.00 22.13 H new ATOM 0 HB3 GLU A 6 -2.287 6.150 12.041 1.00 22.13 H new ATOM 0 HG2 GLU A 6 -2.839 5.550 14.979 1.00 70.40 H new ATOM 0 HG3 GLU A 6 -2.739 7.161 14.295 1.00 70.40 H new ATOM 90 N PHE A 7 -0.093 3.504 11.579 1.00 0.20 N ATOM 91 CA PHE A 7 0.841 3.202 10.470 1.00 3.21 C ATOM 92 C PHE A 7 0.491 1.861 9.786 1.00 2.23 C ATOM 93 O PHE A 7 0.401 1.793 8.552 1.00 75.44 O ATOM 94 CB PHE A 7 2.293 3.183 11.015 1.00 54.42 C ATOM 95 CG PHE A 7 3.394 3.180 9.954 1.00 4.23 C ATOM 96 CD1 PHE A 7 3.663 4.336 9.214 1.00 23.01 C ATOM 97 CD2 PHE A 7 4.184 2.047 9.722 1.00 73.13 C ATOM 98 CE1 PHE A 7 4.681 4.360 8.281 1.00 13.13 C ATOM 99 CE2 PHE A 7 5.199 2.076 8.783 1.00 73.25 C ATOM 100 CZ PHE A 7 5.445 3.234 8.067 1.00 53.42 C ATOM 0 H PHE A 7 0.362 3.546 12.491 1.00 0.20 H new ATOM 0 HA PHE A 7 0.750 3.981 9.713 1.00 3.21 H new ATOM 0 HB2 PHE A 7 2.433 4.053 11.657 1.00 54.42 H new ATOM 0 HB3 PHE A 7 2.415 2.301 11.643 1.00 54.42 H new ATOM 0 HD1 PHE A 7 3.067 5.222 9.374 1.00 23.01 H new ATOM 0 HD2 PHE A 7 3.999 1.142 10.282 1.00 73.13 H new ATOM 0 HE1 PHE A 7 4.878 5.261 7.719 1.00 13.13 H new ATOM 0 HE2 PHE A 7 5.799 1.195 8.609 1.00 73.25 H new ATOM 0 HZ PHE A 7 6.240 3.255 7.336 1.00 53.42 H new ATOM 110 N ILE A 8 0.272 0.808 10.610 1.00 12.51 N ATOM 111 CA ILE A 8 -0.126 -0.536 10.136 1.00 35.13 C ATOM 112 C ILE A 8 -1.520 -0.462 9.491 1.00 74.10 C ATOM 113 O ILE A 8 -1.745 -1.056 8.440 1.00 40.54 O ATOM 114 CB ILE A 8 -0.146 -1.599 11.309 1.00 13.00 C ATOM 115 CG1 ILE A 8 1.248 -1.693 12.011 1.00 21.34 C ATOM 116 CG2 ILE A 8 -0.601 -3.001 10.801 1.00 14.12 C ATOM 117 CD1 ILE A 8 1.243 -2.500 13.300 1.00 42.33 C ATOM 0 H ILE A 8 0.367 0.869 11.624 1.00 12.51 H new ATOM 0 HA ILE A 8 0.615 -0.861 9.405 1.00 35.13 H new ATOM 0 HB ILE A 8 -0.874 -1.256 12.044 1.00 13.00 H new ATOM 0 HG12 ILE A 8 1.962 -2.139 11.319 1.00 21.34 H new ATOM 0 HG13 ILE A 8 1.602 -0.685 12.228 1.00 21.34 H new ATOM 0 HG21 ILE A 8 -0.603 -3.706 11.632 1.00 14.12 H new ATOM 0 HG22 ILE A 8 -1.605 -2.929 10.384 1.00 14.12 H new ATOM 0 HG23 ILE A 8 0.087 -3.350 10.031 1.00 14.12 H new ATOM 0 HD11 ILE A 8 2.247 -2.516 13.723 1.00 42.33 H new ATOM 0 HD12 ILE A 8 0.556 -2.043 14.013 1.00 42.33 H new ATOM 0 HD13 ILE A 8 0.922 -3.520 13.089 1.00 42.33 H new ATOM 129 N ASN A 9 -2.431 0.308 10.132 1.00 22.11 N ATOM 130 CA ASN A 9 -3.816 0.513 9.654 1.00 21.30 C ATOM 131 C ASN A 9 -3.834 1.281 8.321 1.00 25.02 C ATOM 132 O ASN A 9 -4.735 1.106 7.501 1.00 72.33 O ATOM 133 CB ASN A 9 -4.658 1.270 10.718 1.00 3.10 C ATOM 134 CG ASN A 9 -6.153 1.410 10.374 1.00 72.51 C ATOM 135 OD1 ASN A 9 -6.780 2.426 10.687 1.00 51.21 O ATOM 136 ND2 ASN A 9 -6.752 0.380 9.774 1.00 62.20 N ATOM 0 H ASN A 9 -2.224 0.805 10.998 1.00 22.11 H new ATOM 0 HA ASN A 9 -4.259 -0.469 9.490 1.00 21.30 H new ATOM 0 HB2 ASN A 9 -4.566 0.751 11.672 1.00 3.10 H new ATOM 0 HB3 ASN A 9 -4.236 2.265 10.855 1.00 3.10 H new ATOM 0 HD21 ASN A 9 -7.749 0.422 9.564 1.00 62.20 H new ATOM 0 HD22 ASN A 9 -6.213 -0.449 9.525 1.00 62.20 H new ATOM 143 N ARG A 10 -2.815 2.127 8.121 1.00 32.13 N ATOM 144 CA ARG A 10 -2.632 2.905 6.889 1.00 64.51 C ATOM 145 C ARG A 10 -2.038 2.021 5.781 1.00 20.40 C ATOM 146 O ARG A 10 -2.306 2.246 4.600 1.00 35.40 O ATOM 147 CB ARG A 10 -1.745 4.148 7.152 1.00 51.34 C ATOM 148 CG ARG A 10 -2.460 5.322 7.860 1.00 14.31 C ATOM 149 CD ARG A 10 -1.549 6.546 8.066 1.00 43.34 C ATOM 150 NE ARG A 10 -2.277 7.653 8.714 1.00 74.13 N ATOM 151 CZ ARG A 10 -1.913 8.282 9.844 1.00 62.15 C ATOM 152 NH1 ARG A 10 -0.811 7.935 10.497 1.00 20.32 N ATOM 153 NH2 ARG A 10 -2.666 9.266 10.310 1.00 64.42 N ATOM 0 H ARG A 10 -2.088 2.292 8.817 1.00 32.13 H new ATOM 0 HA ARG A 10 -3.607 3.259 6.553 1.00 64.51 H new ATOM 0 HB2 ARG A 10 -0.890 3.845 7.757 1.00 51.34 H new ATOM 0 HB3 ARG A 10 -1.351 4.503 6.200 1.00 51.34 H new ATOM 0 HG2 ARG A 10 -3.329 5.618 7.273 1.00 14.31 H new ATOM 0 HG3 ARG A 10 -2.830 4.984 8.828 1.00 14.31 H new ATOM 0 HD2 ARG A 10 -0.691 6.265 8.677 1.00 43.34 H new ATOM 0 HD3 ARG A 10 -1.159 6.878 7.104 1.00 43.34 H new ATOM 0 HE ARG A 10 -3.135 7.970 8.263 1.00 74.13 H new ATOM 0 HH11 ARG A 10 -0.225 7.179 10.142 1.00 20.32 H new ATOM 0 HH12 ARG A 10 -0.550 8.424 11.353 1.00 20.32 H new ATOM 0 HH21 ARG A 10 -3.513 9.540 9.812 1.00 64.42 H new ATOM 0 HH22 ARG A 10 -2.399 9.750 11.167 1.00 64.42 H new ATOM 167 N TRP A 11 -1.226 1.017 6.167 1.00 25.20 N ATOM 168 CA TRP A 11 -0.761 -0.024 5.228 1.00 24.44 C ATOM 169 C TRP A 11 -1.880 -1.019 4.917 1.00 13.12 C ATOM 170 O TRP A 11 -1.885 -1.607 3.835 1.00 12.11 O ATOM 171 CB TRP A 11 0.507 -0.751 5.746 1.00 23.44 C ATOM 172 CG TRP A 11 1.762 0.066 5.564 1.00 14.51 C ATOM 173 CD1 TRP A 11 2.529 0.644 6.529 1.00 2.25 C ATOM 174 CD2 TRP A 11 2.371 0.427 4.307 1.00 61.13 C ATOM 175 NE1 TRP A 11 3.583 1.306 5.959 1.00 40.13 N ATOM 176 CE2 TRP A 11 3.507 1.194 4.603 1.00 25.40 C ATOM 177 CE3 TRP A 11 2.071 0.163 2.965 1.00 55.33 C ATOM 178 CZ2 TRP A 11 4.347 1.705 3.618 1.00 10.34 C ATOM 179 CZ3 TRP A 11 2.895 0.681 1.983 1.00 40.45 C ATOM 180 CH2 TRP A 11 4.026 1.441 2.317 1.00 0.45 C ATOM 0 H TRP A 11 -0.879 0.905 7.120 1.00 25.20 H new ATOM 0 HA TRP A 11 -0.484 0.478 4.301 1.00 24.44 H new ATOM 0 HB2 TRP A 11 0.381 -0.984 6.803 1.00 23.44 H new ATOM 0 HB3 TRP A 11 0.617 -1.700 5.221 1.00 23.44 H new ATOM 0 HD1 TRP A 11 2.334 0.588 7.590 1.00 2.25 H new ATOM 0 HE1 TRP A 11 4.311 1.805 6.470 1.00 40.13 H new ATOM 0 HE3 TRP A 11 1.211 -0.435 2.702 1.00 55.33 H new ATOM 0 HZ2 TRP A 11 5.220 2.288 3.873 1.00 10.34 H new ATOM 0 HZ3 TRP A 11 2.665 0.498 0.944 1.00 40.45 H new ATOM 0 HH2 TRP A 11 4.656 1.825 1.529 1.00 0.45 H new ATOM 191 N GLN A 12 -2.831 -1.197 5.867 1.00 64.14 N ATOM 192 CA GLN A 12 -4.078 -1.936 5.604 1.00 44.25 C ATOM 193 C GLN A 12 -4.869 -1.156 4.558 1.00 33.32 C ATOM 194 O GLN A 12 -5.345 -1.724 3.599 1.00 43.35 O ATOM 195 CB GLN A 12 -4.961 -2.127 6.877 1.00 54.11 C ATOM 196 CG GLN A 12 -4.309 -2.913 8.023 1.00 12.51 C ATOM 197 CD GLN A 12 -5.266 -3.192 9.184 1.00 32.24 C ATOM 198 OE1 GLN A 12 -5.410 -2.379 10.099 1.00 61.03 O ATOM 199 NE2 GLN A 12 -5.914 -4.347 9.172 1.00 5.53 N ATOM 0 H GLN A 12 -2.753 -0.837 6.818 1.00 64.14 H new ATOM 0 HA GLN A 12 -3.812 -2.935 5.258 1.00 44.25 H new ATOM 0 HB2 GLN A 12 -5.246 -1.144 7.251 1.00 54.11 H new ATOM 0 HB3 GLN A 12 -5.880 -2.637 6.587 1.00 54.11 H new ATOM 0 HG2 GLN A 12 -3.931 -3.860 7.637 1.00 12.51 H new ATOM 0 HG3 GLN A 12 -3.450 -2.355 8.395 1.00 12.51 H new ATOM 0 HE21 GLN A 12 -5.776 -5.001 8.402 1.00 5.53 H new ATOM 0 HE22 GLN A 12 -6.551 -4.582 9.933 1.00 5.53 H new ATOM 208 N ARG A 13 -4.925 0.176 4.751 1.00 63.51 N ATOM 209 CA ARG A 13 -5.685 1.088 3.889 1.00 72.22 C ATOM 210 C ARG A 13 -5.189 0.998 2.426 1.00 35.12 C ATOM 211 O ARG A 13 -5.990 0.765 1.528 1.00 43.42 O ATOM 212 CB ARG A 13 -5.587 2.542 4.429 1.00 14.31 C ATOM 213 CG ARG A 13 -6.489 3.575 3.717 1.00 20.42 C ATOM 214 CD ARG A 13 -7.995 3.275 3.827 1.00 63.34 C ATOM 215 NE ARG A 13 -8.798 4.321 3.158 1.00 51.12 N ATOM 216 CZ ARG A 13 -10.082 4.206 2.782 1.00 61.42 C ATOM 217 NH1 ARG A 13 -10.769 3.082 2.994 1.00 74.35 N ATOM 218 NH2 ARG A 13 -10.688 5.243 2.208 1.00 55.43 N ATOM 0 H ARG A 13 -4.440 0.647 5.515 1.00 63.51 H new ATOM 0 HA ARG A 13 -6.734 0.791 3.901 1.00 72.22 H new ATOM 0 HB2 ARG A 13 -5.838 2.535 5.490 1.00 14.31 H new ATOM 0 HB3 ARG A 13 -4.551 2.872 4.349 1.00 14.31 H new ATOM 0 HG2 ARG A 13 -6.294 4.562 4.137 1.00 20.42 H new ATOM 0 HG3 ARG A 13 -6.214 3.617 2.663 1.00 20.42 H new ATOM 0 HD2 ARG A 13 -8.209 2.305 3.378 1.00 63.34 H new ATOM 0 HD3 ARG A 13 -8.280 3.210 4.877 1.00 63.34 H new ATOM 0 HE ARG A 13 -8.335 5.209 2.965 1.00 51.12 H new ATOM 0 HH11 ARG A 13 -10.320 2.288 3.450 1.00 74.35 H new ATOM 0 HH12 ARG A 13 -11.744 3.017 2.700 1.00 74.35 H new ATOM 0 HH21 ARG A 13 -10.177 6.113 2.058 1.00 55.43 H new ATOM 0 HH22 ARG A 13 -11.663 5.167 1.918 1.00 55.43 H new ATOM 232 N ILE A 14 -3.854 1.120 2.215 1.00 62.04 N ATOM 233 CA ILE A 14 -3.245 1.035 0.863 1.00 2.52 C ATOM 234 C ILE A 14 -3.461 -0.377 0.263 1.00 0.33 C ATOM 235 O ILE A 14 -3.946 -0.507 -0.870 1.00 55.44 O ATOM 236 CB ILE A 14 -1.697 1.357 0.879 1.00 63.52 C ATOM 237 CG1 ILE A 14 -1.391 2.728 1.544 1.00 52.04 C ATOM 238 CG2 ILE A 14 -1.107 1.336 -0.554 1.00 11.20 C ATOM 239 CD1 ILE A 14 0.095 3.047 1.637 1.00 15.54 C ATOM 0 H ILE A 14 -3.179 1.277 2.963 1.00 62.04 H new ATOM 0 HA ILE A 14 -3.741 1.786 0.248 1.00 2.52 H new ATOM 0 HB ILE A 14 -1.225 0.576 1.475 1.00 63.52 H new ATOM 0 HG12 ILE A 14 -1.887 3.515 0.977 1.00 52.04 H new ATOM 0 HG13 ILE A 14 -1.819 2.739 2.546 1.00 52.04 H new ATOM 0 HG21 ILE A 14 -0.041 1.561 -0.512 1.00 11.20 H new ATOM 0 HG22 ILE A 14 -1.253 0.349 -0.993 1.00 11.20 H new ATOM 0 HG23 ILE A 14 -1.612 2.083 -1.166 1.00 11.20 H new ATOM 0 HD11 ILE A 14 0.229 4.019 2.112 1.00 15.54 H new ATOM 0 HD12 ILE A 14 0.595 2.281 2.230 1.00 15.54 H new ATOM 0 HD13 ILE A 14 0.526 3.070 0.636 1.00 15.54 H new ATOM 251 N ALA A 15 -3.132 -1.420 1.065 1.00 32.31 N ATOM 252 CA ALA A 15 -3.195 -2.842 0.641 1.00 71.02 C ATOM 253 C ALA A 15 -4.609 -3.253 0.204 1.00 34.10 C ATOM 254 O ALA A 15 -4.786 -3.915 -0.823 1.00 1.32 O ATOM 255 CB ALA A 15 -2.716 -3.753 1.782 1.00 23.42 C ATOM 0 H ALA A 15 -2.815 -1.299 2.027 1.00 32.31 H new ATOM 0 HA ALA A 15 -2.538 -2.955 -0.221 1.00 71.02 H new ATOM 0 HB1 ALA A 15 -2.766 -4.794 1.462 1.00 23.42 H new ATOM 0 HB2 ALA A 15 -1.687 -3.502 2.041 1.00 23.42 H new ATOM 0 HB3 ALA A 15 -3.355 -3.611 2.654 1.00 23.42 H new ATOM 261 N LEU A 16 -5.600 -2.819 0.994 1.00 73.44 N ATOM 262 CA LEU A 16 -7.021 -3.194 0.814 1.00 42.32 C ATOM 263 C LEU A 16 -7.647 -2.402 -0.337 1.00 71.05 C ATOM 264 O LEU A 16 -8.451 -2.950 -1.089 1.00 32.05 O ATOM 265 CB LEU A 16 -7.851 -2.966 2.115 1.00 3.02 C ATOM 266 CG LEU A 16 -7.489 -3.856 3.352 1.00 53.25 C ATOM 267 CD1 LEU A 16 -8.321 -3.449 4.593 1.00 75.34 C ATOM 268 CD2 LEU A 16 -7.640 -5.354 3.038 1.00 31.22 C ATOM 0 H LEU A 16 -5.444 -2.193 1.784 1.00 73.44 H new ATOM 0 HA LEU A 16 -7.043 -4.258 0.578 1.00 42.32 H new ATOM 0 HB2 LEU A 16 -7.745 -1.921 2.406 1.00 3.02 H new ATOM 0 HB3 LEU A 16 -8.903 -3.126 1.879 1.00 3.02 H new ATOM 0 HG LEU A 16 -6.438 -3.683 3.585 1.00 53.25 H new ATOM 0 HD11 LEU A 16 -8.049 -4.083 5.437 1.00 75.34 H new ATOM 0 HD12 LEU A 16 -8.118 -2.407 4.842 1.00 75.34 H new ATOM 0 HD13 LEU A 16 -9.382 -3.570 4.375 1.00 75.34 H new ATOM 0 HD21 LEU A 16 -7.380 -5.939 3.920 1.00 31.22 H new ATOM 0 HD22 LEU A 16 -8.671 -5.564 2.754 1.00 31.22 H new ATOM 0 HD23 LEU A 16 -6.976 -5.622 2.216 1.00 31.22 H new ATOM 280 N LEU A 17 -7.295 -1.099 -0.447 1.00 40.53 N ATOM 281 CA LEU A 17 -7.820 -0.217 -1.517 1.00 42.14 C ATOM 282 C LEU A 17 -7.349 -0.701 -2.890 1.00 24.10 C ATOM 283 O LEU A 17 -8.162 -0.834 -3.793 1.00 62.20 O ATOM 284 CB LEU A 17 -7.429 1.276 -1.294 1.00 75.23 C ATOM 285 CG LEU A 17 -8.235 2.035 -0.187 1.00 4.43 C ATOM 286 CD1 LEU A 17 -7.641 3.435 0.059 1.00 3.42 C ATOM 287 CD2 LEU A 17 -9.740 2.117 -0.543 1.00 1.24 C ATOM 0 H LEU A 17 -6.650 -0.635 0.192 1.00 40.53 H new ATOM 0 HA LEU A 17 -8.908 -0.272 -1.478 1.00 42.14 H new ATOM 0 HB2 LEU A 17 -6.370 1.320 -1.040 1.00 75.23 H new ATOM 0 HB3 LEU A 17 -7.553 1.809 -2.237 1.00 75.23 H new ATOM 0 HG LEU A 17 -8.150 1.467 0.739 1.00 4.43 H new ATOM 0 HD11 LEU A 17 -8.217 3.944 0.832 1.00 3.42 H new ATOM 0 HD12 LEU A 17 -6.605 3.339 0.383 1.00 3.42 H new ATOM 0 HD13 LEU A 17 -7.681 4.014 -0.864 1.00 3.42 H new ATOM 0 HD21 LEU A 17 -10.272 2.650 0.245 1.00 1.24 H new ATOM 0 HD22 LEU A 17 -9.862 2.649 -1.487 1.00 1.24 H new ATOM 0 HD23 LEU A 17 -10.147 1.110 -0.639 1.00 1.24 H new ATOM 299 N SER A 18 -6.044 -1.002 -3.009 1.00 25.41 N ATOM 300 CA SER A 18 -5.442 -1.510 -4.258 1.00 24.31 C ATOM 301 C SER A 18 -5.935 -2.929 -4.573 1.00 71.51 C ATOM 302 O SER A 18 -6.093 -3.285 -5.746 1.00 62.40 O ATOM 303 CB SER A 18 -3.918 -1.513 -4.136 1.00 61.42 C ATOM 304 OG SER A 18 -3.515 -2.301 -3.033 1.00 61.51 O ATOM 0 H SER A 18 -5.376 -0.901 -2.244 1.00 25.41 H new ATOM 0 HA SER A 18 -5.745 -0.852 -5.072 1.00 24.31 H new ATOM 0 HB2 SER A 18 -3.474 -1.903 -5.052 1.00 61.42 H new ATOM 0 HB3 SER A 18 -3.554 -0.493 -4.015 1.00 61.42 H new ATOM 0 HG SER A 18 -3.632 -1.789 -2.205 1.00 61.51 H new ATOM 310 N GLN A 19 -6.145 -3.742 -3.507 1.00 3.30 N ATOM 311 CA GLN A 19 -6.725 -5.092 -3.635 1.00 22.13 C ATOM 312 C GLN A 19 -8.146 -4.997 -4.198 1.00 35.42 C ATOM 313 O GLN A 19 -8.524 -5.784 -5.061 1.00 24.32 O ATOM 314 CB GLN A 19 -6.735 -5.833 -2.271 1.00 4.32 C ATOM 315 CG GLN A 19 -7.089 -7.334 -2.347 1.00 74.41 C ATOM 316 CD GLN A 19 -6.059 -8.143 -3.138 1.00 13.20 C ATOM 317 OE1 GLN A 19 -6.187 -8.338 -4.347 1.00 13.12 O ATOM 318 NE2 GLN A 19 -5.015 -8.596 -2.462 1.00 20.42 N ATOM 0 H GLN A 19 -5.918 -3.479 -2.548 1.00 3.30 H new ATOM 0 HA GLN A 19 -6.103 -5.666 -4.322 1.00 22.13 H new ATOM 0 HB2 GLN A 19 -5.752 -5.730 -1.811 1.00 4.32 H new ATOM 0 HB3 GLN A 19 -7.449 -5.340 -1.612 1.00 4.32 H new ATOM 0 HG2 GLN A 19 -7.164 -7.737 -1.337 1.00 74.41 H new ATOM 0 HG3 GLN A 19 -8.069 -7.449 -2.810 1.00 74.41 H new ATOM 0 HE21 GLN A 19 -4.939 -8.417 -1.461 1.00 20.42 H new ATOM 0 HE22 GLN A 19 -4.286 -9.124 -2.942 1.00 20.42 H new ATOM 327 N SER A 20 -8.909 -3.994 -3.708 1.00 64.23 N ATOM 328 CA SER A 20 -10.260 -3.700 -4.205 1.00 13.03 C ATOM 329 C SER A 20 -10.178 -3.281 -5.672 1.00 14.32 C ATOM 330 O SER A 20 -10.860 -3.856 -6.503 1.00 50.12 O ATOM 331 CB SER A 20 -10.940 -2.593 -3.369 1.00 71.34 C ATOM 332 OG SER A 20 -11.100 -2.995 -2.016 1.00 1.13 O ATOM 0 H SER A 20 -8.602 -3.372 -2.960 1.00 64.23 H new ATOM 0 HA SER A 20 -10.867 -4.601 -4.113 1.00 13.03 H new ATOM 0 HB2 SER A 20 -10.342 -1.682 -3.412 1.00 71.34 H new ATOM 0 HB3 SER A 20 -11.914 -2.356 -3.798 1.00 71.34 H new ATOM 0 HG SER A 20 -10.224 -3.020 -1.576 1.00 1.13 H new ATOM 338 N LEU A 21 -9.258 -2.329 -5.971 1.00 31.50 N ATOM 339 CA LEU A 21 -9.035 -1.799 -7.334 1.00 31.03 C ATOM 340 C LEU A 21 -8.685 -2.933 -8.305 1.00 23.02 C ATOM 341 O LEU A 21 -9.036 -2.869 -9.475 1.00 42.13 O ATOM 342 CB LEU A 21 -7.905 -0.720 -7.352 1.00 35.10 C ATOM 343 CG LEU A 21 -8.163 0.592 -6.544 1.00 64.33 C ATOM 344 CD1 LEU A 21 -6.975 1.578 -6.671 1.00 22.32 C ATOM 345 CD2 LEU A 21 -9.490 1.251 -6.954 1.00 11.24 C ATOM 0 H LEU A 21 -8.650 -1.908 -5.269 1.00 31.50 H new ATOM 0 HA LEU A 21 -9.964 -1.327 -7.655 1.00 31.03 H new ATOM 0 HB2 LEU A 21 -6.993 -1.179 -6.971 1.00 35.10 H new ATOM 0 HB3 LEU A 21 -7.714 -0.447 -8.390 1.00 35.10 H new ATOM 0 HG LEU A 21 -8.247 0.318 -5.492 1.00 64.33 H new ATOM 0 HD11 LEU A 21 -7.188 2.480 -6.097 1.00 22.32 H new ATOM 0 HD12 LEU A 21 -6.070 1.108 -6.287 1.00 22.32 H new ATOM 0 HD13 LEU A 21 -6.831 1.841 -7.719 1.00 22.32 H new ATOM 0 HD21 LEU A 21 -9.639 2.161 -6.373 1.00 11.24 H new ATOM 0 HD22 LEU A 21 -9.461 1.499 -8.015 1.00 11.24 H new ATOM 0 HD23 LEU A 21 -10.312 0.561 -6.765 1.00 11.24 H new ATOM 357 N LEU A 22 -8.012 -3.977 -7.778 1.00 3.23 N ATOM 358 CA LEU A 22 -7.624 -5.160 -8.548 1.00 64.24 C ATOM 359 C LEU A 22 -8.852 -6.045 -8.845 1.00 63.54 C ATOM 360 O LEU A 22 -9.101 -6.362 -10.005 1.00 50.52 O ATOM 361 CB LEU A 22 -6.522 -5.956 -7.798 1.00 53.23 C ATOM 362 CG LEU A 22 -5.931 -7.183 -8.564 1.00 60.33 C ATOM 363 CD1 LEU A 22 -5.359 -6.772 -9.941 1.00 42.24 C ATOM 364 CD2 LEU A 22 -4.870 -7.908 -7.710 1.00 11.23 C ATOM 0 H LEU A 22 -7.725 -4.016 -6.800 1.00 3.23 H new ATOM 0 HA LEU A 22 -7.213 -4.834 -9.504 1.00 64.24 H new ATOM 0 HB2 LEU A 22 -5.706 -5.274 -7.558 1.00 53.23 H new ATOM 0 HB3 LEU A 22 -6.933 -6.306 -6.851 1.00 53.23 H new ATOM 0 HG LEU A 22 -6.747 -7.881 -8.748 1.00 60.33 H new ATOM 0 HD11 LEU A 22 -4.957 -7.651 -10.445 1.00 42.24 H new ATOM 0 HD12 LEU A 22 -6.152 -6.336 -10.549 1.00 42.24 H new ATOM 0 HD13 LEU A 22 -4.565 -6.039 -9.801 1.00 42.24 H new ATOM 0 HD21 LEU A 22 -4.474 -8.758 -8.266 1.00 11.23 H new ATOM 0 HD22 LEU A 22 -4.059 -7.219 -7.475 1.00 11.23 H new ATOM 0 HD23 LEU A 22 -5.326 -8.260 -6.785 1.00 11.23 H new ATOM 376 N GLU A 23 -9.622 -6.402 -7.786 1.00 20.11 N ATOM 377 CA GLU A 23 -10.869 -7.211 -7.899 1.00 54.13 C ATOM 378 C GLU A 23 -11.819 -6.594 -8.947 1.00 4.22 C ATOM 379 O GLU A 23 -12.232 -7.243 -9.938 1.00 72.12 O ATOM 380 CB GLU A 23 -11.608 -7.251 -6.525 1.00 70.11 C ATOM 381 CG GLU A 23 -10.830 -7.878 -5.361 1.00 21.53 C ATOM 382 CD GLU A 23 -10.512 -9.365 -5.558 1.00 30.03 C ATOM 383 OE1 GLU A 23 -11.454 -10.191 -5.520 1.00 10.14 O ATOM 384 OE2 GLU A 23 -9.324 -9.725 -5.725 1.00 25.43 O ATOM 0 H GLU A 23 -9.398 -6.138 -6.827 1.00 20.11 H new ATOM 0 HA GLU A 23 -10.591 -8.220 -8.204 1.00 54.13 H new ATOM 0 HB2 GLU A 23 -11.876 -6.231 -6.249 1.00 70.11 H new ATOM 0 HB3 GLU A 23 -12.540 -7.802 -6.652 1.00 70.11 H new ATOM 0 HG2 GLU A 23 -9.897 -7.332 -5.224 1.00 21.53 H new ATOM 0 HG3 GLU A 23 -11.407 -7.758 -4.444 1.00 21.53 H new ATOM 391 N LEU A 24 -12.105 -5.304 -8.698 1.00 51.13 N ATOM 392 CA LEU A 24 -12.968 -4.458 -9.512 1.00 12.25 C ATOM 393 C LEU A 24 -12.464 -4.420 -10.972 1.00 25.10 C ATOM 394 O LEU A 24 -13.220 -4.725 -11.879 1.00 34.20 O ATOM 395 CB LEU A 24 -13.013 -3.023 -8.901 1.00 74.32 C ATOM 396 CG LEU A 24 -13.560 -2.884 -7.437 1.00 53.53 C ATOM 397 CD1 LEU A 24 -13.320 -1.462 -6.870 1.00 62.23 C ATOM 398 CD2 LEU A 24 -15.038 -3.280 -7.346 1.00 73.24 C ATOM 0 H LEU A 24 -11.722 -4.812 -7.891 1.00 51.13 H new ATOM 0 HA LEU A 24 -13.977 -4.870 -9.518 1.00 12.25 H new ATOM 0 HB2 LEU A 24 -12.003 -2.614 -8.924 1.00 74.32 H new ATOM 0 HB3 LEU A 24 -13.625 -2.398 -9.551 1.00 74.32 H new ATOM 0 HG LEU A 24 -12.997 -3.581 -6.817 1.00 53.53 H new ATOM 0 HD11 LEU A 24 -13.712 -1.404 -5.855 1.00 62.23 H new ATOM 0 HD12 LEU A 24 -12.251 -1.251 -6.859 1.00 62.23 H new ATOM 0 HD13 LEU A 24 -13.828 -0.730 -7.497 1.00 62.23 H new ATOM 0 HD21 LEU A 24 -15.381 -3.171 -6.317 1.00 73.24 H new ATOM 0 HD22 LEU A 24 -15.628 -2.634 -7.996 1.00 73.24 H new ATOM 0 HD23 LEU A 24 -15.157 -4.317 -7.660 1.00 73.24 H new ATOM 410 N ALA A 25 -11.158 -4.119 -11.168 1.00 31.24 N ATOM 411 CA ALA A 25 -10.547 -3.959 -12.517 1.00 70.42 C ATOM 412 C ALA A 25 -10.638 -5.236 -13.363 1.00 43.51 C ATOM 413 O ALA A 25 -10.922 -5.168 -14.566 1.00 13.32 O ATOM 414 CB ALA A 25 -9.083 -3.533 -12.401 1.00 24.11 C ATOM 0 H ALA A 25 -10.498 -3.980 -10.402 1.00 31.24 H new ATOM 0 HA ALA A 25 -11.120 -3.182 -13.023 1.00 70.42 H new ATOM 0 HB1 ALA A 25 -8.656 -3.422 -13.398 1.00 24.11 H new ATOM 0 HB2 ALA A 25 -9.022 -2.582 -11.872 1.00 24.11 H new ATOM 0 HB3 ALA A 25 -8.526 -4.291 -11.850 1.00 24.11 H new ATOM 420 N GLN A 26 -10.391 -6.393 -12.715 1.00 13.21 N ATOM 421 CA GLN A 26 -10.448 -7.720 -13.363 1.00 13.14 C ATOM 422 C GLN A 26 -11.885 -8.026 -13.827 1.00 10.40 C ATOM 423 O GLN A 26 -12.086 -8.619 -14.892 1.00 51.32 O ATOM 424 CB GLN A 26 -9.949 -8.818 -12.385 1.00 71.30 C ATOM 425 CG GLN A 26 -8.461 -8.699 -11.967 1.00 51.23 C ATOM 426 CD GLN A 26 -8.071 -9.646 -10.818 1.00 65.53 C ATOM 427 OE1 GLN A 26 -8.894 -9.992 -9.964 1.00 53.24 O ATOM 428 NE2 GLN A 26 -6.811 -10.049 -10.766 1.00 43.12 N ATOM 0 H GLN A 26 -10.146 -6.434 -11.726 1.00 13.21 H new ATOM 0 HA GLN A 26 -9.796 -7.711 -14.236 1.00 13.14 H new ATOM 0 HB2 GLN A 26 -10.566 -8.790 -11.487 1.00 71.30 H new ATOM 0 HB3 GLN A 26 -10.103 -9.793 -12.848 1.00 71.30 H new ATOM 0 HG2 GLN A 26 -7.831 -8.909 -12.831 1.00 51.23 H new ATOM 0 HG3 GLN A 26 -8.257 -7.671 -11.666 1.00 51.23 H new ATOM 0 HE21 GLN A 26 -6.150 -9.750 -11.483 1.00 43.12 H new ATOM 0 HE22 GLN A 26 -6.501 -10.659 -10.009 1.00 43.12 H new ATOM 437 N ARG A 27 -12.875 -7.622 -13.007 1.00 61.22 N ATOM 438 CA ARG A 27 -14.316 -7.754 -13.354 1.00 64.43 C ATOM 439 C ARG A 27 -14.808 -6.605 -14.276 1.00 11.52 C ATOM 440 O ARG A 27 -15.872 -6.716 -14.895 1.00 71.23 O ATOM 441 CB ARG A 27 -15.148 -7.828 -12.048 1.00 2.24 C ATOM 442 CG ARG A 27 -14.735 -9.013 -11.137 1.00 2.40 C ATOM 443 CD ARG A 27 -15.469 -9.054 -9.790 1.00 32.25 C ATOM 444 NE ARG A 27 -14.908 -10.098 -8.904 1.00 63.04 N ATOM 445 CZ ARG A 27 -14.433 -9.895 -7.665 1.00 5.44 C ATOM 446 NH1 ARG A 27 -14.439 -8.680 -7.129 1.00 55.52 N ATOM 447 NH2 ARG A 27 -13.950 -10.913 -6.967 1.00 54.23 N ATOM 0 H ARG A 27 -12.708 -7.199 -12.094 1.00 61.22 H new ATOM 0 HA ARG A 27 -14.451 -8.674 -13.922 1.00 64.43 H new ATOM 0 HB2 ARG A 27 -15.033 -6.895 -11.496 1.00 2.24 H new ATOM 0 HB3 ARG A 27 -16.204 -7.921 -12.301 1.00 2.24 H new ATOM 0 HG2 ARG A 27 -14.920 -9.947 -11.668 1.00 2.40 H new ATOM 0 HG3 ARG A 27 -13.662 -8.958 -10.952 1.00 2.40 H new ATOM 0 HD2 ARG A 27 -15.394 -8.082 -9.303 1.00 32.25 H new ATOM 0 HD3 ARG A 27 -16.529 -9.246 -9.957 1.00 32.25 H new ATOM 0 HE ARG A 27 -14.880 -11.052 -9.265 1.00 63.04 H new ATOM 0 HH11 ARG A 27 -14.807 -7.890 -7.660 1.00 55.52 H new ATOM 0 HH12 ARG A 27 -14.076 -8.536 -6.187 1.00 55.52 H new ATOM 0 HH21 ARG A 27 -13.940 -11.849 -7.371 1.00 54.23 H new ATOM 0 HH22 ARG A 27 -13.589 -10.760 -6.025 1.00 54.23 H new ATOM 461 N GLY A 28 -14.016 -5.516 -14.365 1.00 72.12 N ATOM 462 CA GLY A 28 -14.320 -4.372 -15.239 1.00 74.55 C ATOM 463 C GLY A 28 -15.185 -3.292 -14.592 1.00 53.33 C ATOM 464 O GLY A 28 -15.880 -2.551 -15.293 1.00 3.51 O ATOM 0 H GLY A 28 -13.152 -5.409 -13.834 1.00 72.12 H new ATOM 0 HA2 GLY A 28 -13.383 -3.922 -15.566 1.00 74.55 H new ATOM 0 HA3 GLY A 28 -14.826 -4.738 -16.132 1.00 74.55 H new ATOM 468 N GLU A 29 -15.146 -3.207 -13.258 1.00 40.23 N ATOM 469 CA GLU A 29 -15.839 -2.167 -12.471 1.00 60.34 C ATOM 470 C GLU A 29 -14.981 -0.881 -12.388 1.00 52.44 C ATOM 471 O GLU A 29 -14.624 -0.414 -11.295 1.00 51.43 O ATOM 472 CB GLU A 29 -16.140 -2.725 -11.052 1.00 4.25 C ATOM 473 CG GLU A 29 -16.986 -4.015 -11.015 1.00 51.12 C ATOM 474 CD GLU A 29 -18.369 -3.827 -11.654 1.00 63.13 C ATOM 475 OE1 GLU A 29 -19.188 -3.062 -11.097 1.00 64.22 O ATOM 476 OE2 GLU A 29 -18.644 -4.426 -12.720 1.00 3.33 O ATOM 0 H GLU A 29 -14.625 -3.867 -12.680 1.00 40.23 H new ATOM 0 HA GLU A 29 -16.776 -1.904 -12.961 1.00 60.34 H new ATOM 0 HB2 GLU A 29 -15.193 -2.917 -10.547 1.00 4.25 H new ATOM 0 HB3 GLU A 29 -16.657 -1.955 -10.479 1.00 4.25 H new ATOM 0 HG2 GLU A 29 -16.453 -4.811 -11.536 1.00 51.12 H new ATOM 0 HG3 GLU A 29 -17.107 -4.337 -9.981 1.00 51.12 H new ATOM 483 N TRP A 30 -14.694 -0.301 -13.567 1.00 54.45 N ATOM 484 CA TRP A 30 -13.754 0.827 -13.723 1.00 55.13 C ATOM 485 C TRP A 30 -14.256 2.110 -13.047 1.00 11.22 C ATOM 486 O TRP A 30 -13.447 2.909 -12.575 1.00 74.54 O ATOM 487 CB TRP A 30 -13.444 1.069 -15.224 1.00 72.31 C ATOM 488 CG TRP A 30 -12.845 -0.150 -15.895 1.00 21.33 C ATOM 489 CD1 TRP A 30 -13.454 -1.005 -16.771 1.00 43.42 C ATOM 490 CD2 TRP A 30 -11.516 -0.662 -15.705 1.00 42.40 C ATOM 491 NE1 TRP A 30 -12.594 -2.012 -17.119 1.00 21.34 N ATOM 492 CE2 TRP A 30 -11.399 -1.822 -16.490 1.00 4.32 C ATOM 493 CE3 TRP A 30 -10.417 -0.252 -14.949 1.00 4.52 C ATOM 494 CZ2 TRP A 30 -10.232 -2.576 -16.537 1.00 20.10 C ATOM 495 CZ3 TRP A 30 -9.257 -0.995 -14.999 1.00 62.23 C ATOM 496 CH2 TRP A 30 -9.173 -2.147 -15.787 1.00 61.22 C ATOM 0 H TRP A 30 -15.111 -0.604 -14.447 1.00 54.45 H new ATOM 0 HA TRP A 30 -12.831 0.551 -13.214 1.00 55.13 H new ATOM 0 HB2 TRP A 30 -14.362 1.350 -15.741 1.00 72.31 H new ATOM 0 HB3 TRP A 30 -12.755 1.908 -15.319 1.00 72.31 H new ATOM 0 HD1 TRP A 30 -14.465 -0.901 -17.135 1.00 43.42 H new ATOM 0 HE1 TRP A 30 -12.813 -2.783 -17.750 1.00 21.34 H new ATOM 0 HE3 TRP A 30 -10.474 0.634 -14.334 1.00 4.52 H new ATOM 0 HZ2 TRP A 30 -10.165 -3.467 -17.143 1.00 20.10 H new ATOM 0 HZ3 TRP A 30 -8.400 -0.683 -14.421 1.00 62.23 H new ATOM 0 HH2 TRP A 30 -8.251 -2.710 -15.803 1.00 61.22 H new ATOM 507 N ASP A 31 -15.588 2.281 -12.991 1.00 72.15 N ATOM 508 CA ASP A 31 -16.235 3.417 -12.291 1.00 32.01 C ATOM 509 C ASP A 31 -15.889 3.396 -10.793 1.00 35.01 C ATOM 510 O ASP A 31 -15.616 4.438 -10.189 1.00 24.23 O ATOM 511 CB ASP A 31 -17.773 3.362 -12.472 1.00 61.30 C ATOM 512 CG ASP A 31 -18.201 3.480 -13.941 1.00 13.43 C ATOM 513 OD1 ASP A 31 -18.631 4.577 -14.369 1.00 24.44 O ATOM 514 OD2 ASP A 31 -18.090 2.476 -14.678 1.00 74.41 O ATOM 0 H ASP A 31 -16.250 1.640 -13.427 1.00 72.15 H new ATOM 0 HA ASP A 31 -15.859 4.342 -12.728 1.00 32.01 H new ATOM 0 HB2 ASP A 31 -18.150 2.425 -12.062 1.00 61.30 H new ATOM 0 HB3 ASP A 31 -18.231 4.168 -11.898 1.00 61.30 H new ATOM 519 N LEU A 32 -15.889 2.176 -10.221 1.00 42.11 N ATOM 520 CA LEU A 32 -15.580 1.952 -8.802 1.00 41.35 C ATOM 521 C LEU A 32 -14.076 2.172 -8.538 1.00 12.32 C ATOM 522 O LEU A 32 -13.703 2.536 -7.424 1.00 54.32 O ATOM 523 CB LEU A 32 -16.051 0.538 -8.355 1.00 61.02 C ATOM 524 CG LEU A 32 -17.566 0.206 -8.607 1.00 12.43 C ATOM 525 CD1 LEU A 32 -17.944 -1.188 -8.070 1.00 13.24 C ATOM 526 CD2 LEU A 32 -18.506 1.290 -8.037 1.00 53.42 C ATOM 0 H LEU A 32 -16.104 1.320 -10.733 1.00 42.11 H new ATOM 0 HA LEU A 32 -16.127 2.679 -8.201 1.00 41.35 H new ATOM 0 HB2 LEU A 32 -15.445 -0.206 -8.873 1.00 61.02 H new ATOM 0 HB3 LEU A 32 -15.848 0.429 -7.290 1.00 61.02 H new ATOM 0 HG LEU A 32 -17.702 0.195 -9.688 1.00 12.43 H new ATOM 0 HD11 LEU A 32 -18.999 -1.379 -8.264 1.00 13.24 H new ATOM 0 HD12 LEU A 32 -17.340 -1.946 -8.569 1.00 13.24 H new ATOM 0 HD13 LEU A 32 -17.760 -1.227 -6.996 1.00 13.24 H new ATOM 0 HD21 LEU A 32 -19.542 1.015 -8.236 1.00 53.42 H new ATOM 0 HD22 LEU A 32 -18.354 1.374 -6.961 1.00 53.42 H new ATOM 0 HD23 LEU A 32 -18.287 2.247 -8.511 1.00 53.42 H new ATOM 538 N LEU A 33 -13.217 1.973 -9.580 1.00 34.41 N ATOM 539 CA LEU A 33 -11.787 2.382 -9.513 1.00 52.32 C ATOM 540 C LEU A 33 -11.669 3.906 -9.438 1.00 52.20 C ATOM 541 O LEU A 33 -10.888 4.417 -8.645 1.00 62.54 O ATOM 542 CB LEU A 33 -10.907 1.858 -10.702 1.00 52.12 C ATOM 543 CG LEU A 33 -10.367 0.396 -10.568 1.00 34.25 C ATOM 544 CD1 LEU A 33 -11.454 -0.634 -10.854 1.00 11.44 C ATOM 545 CD2 LEU A 33 -9.112 0.165 -11.438 1.00 25.40 C ATOM 0 H LEU A 33 -13.487 1.538 -10.462 1.00 34.41 H new ATOM 0 HA LEU A 33 -11.399 1.916 -8.607 1.00 52.32 H new ATOM 0 HB2 LEU A 33 -11.494 1.924 -11.618 1.00 52.12 H new ATOM 0 HB3 LEU A 33 -10.056 2.528 -10.820 1.00 52.12 H new ATOM 0 HG LEU A 33 -10.062 0.260 -9.530 1.00 34.25 H new ATOM 0 HD11 LEU A 33 -11.041 -1.637 -10.751 1.00 11.44 H new ATOM 0 HD12 LEU A 33 -12.273 -0.505 -10.147 1.00 11.44 H new ATOM 0 HD13 LEU A 33 -11.826 -0.498 -11.869 1.00 11.44 H new ATOM 0 HD21 LEU A 33 -8.769 -0.862 -11.316 1.00 25.40 H new ATOM 0 HD22 LEU A 33 -9.357 0.344 -12.485 1.00 25.40 H new ATOM 0 HD23 LEU A 33 -8.323 0.850 -11.128 1.00 25.40 H new ATOM 557 N LEU A 34 -12.451 4.608 -10.280 1.00 24.33 N ATOM 558 CA LEU A 34 -12.438 6.086 -10.359 1.00 21.24 C ATOM 559 C LEU A 34 -12.907 6.720 -9.027 1.00 62.50 C ATOM 560 O LEU A 34 -12.401 7.774 -8.626 1.00 64.11 O ATOM 561 CB LEU A 34 -13.318 6.572 -11.548 1.00 62.25 C ATOM 562 CG LEU A 34 -12.935 6.020 -12.965 1.00 72.13 C ATOM 563 CD1 LEU A 34 -13.920 6.509 -14.051 1.00 53.52 C ATOM 564 CD2 LEU A 34 -11.472 6.351 -13.341 1.00 74.44 C ATOM 0 H LEU A 34 -13.109 4.170 -10.924 1.00 24.33 H new ATOM 0 HA LEU A 34 -11.412 6.410 -10.535 1.00 21.24 H new ATOM 0 HB2 LEU A 34 -14.353 6.299 -11.342 1.00 62.25 H new ATOM 0 HB3 LEU A 34 -13.277 7.661 -11.582 1.00 62.25 H new ATOM 0 HG LEU A 34 -13.014 4.934 -12.913 1.00 72.13 H new ATOM 0 HD11 LEU A 34 -13.623 6.107 -15.019 1.00 53.52 H new ATOM 0 HD12 LEU A 34 -14.927 6.168 -13.810 1.00 53.52 H new ATOM 0 HD13 LEU A 34 -13.906 7.598 -14.091 1.00 53.52 H new ATOM 0 HD21 LEU A 34 -11.251 5.950 -14.330 1.00 74.44 H new ATOM 0 HD22 LEU A 34 -11.334 7.432 -13.349 1.00 74.44 H new ATOM 0 HD23 LEU A 34 -10.798 5.905 -12.609 1.00 74.44 H new ATOM 576 N GLN A 35 -13.863 6.053 -8.344 1.00 63.41 N ATOM 577 CA GLN A 35 -14.333 6.470 -7.001 1.00 45.01 C ATOM 578 C GLN A 35 -13.198 6.322 -5.977 1.00 23.12 C ATOM 579 O GLN A 35 -12.761 7.299 -5.362 1.00 33.25 O ATOM 580 CB GLN A 35 -15.547 5.613 -6.547 1.00 31.14 C ATOM 581 CG GLN A 35 -16.789 5.733 -7.442 1.00 63.22 C ATOM 582 CD GLN A 35 -17.965 4.884 -6.964 1.00 22.43 C ATOM 583 OE1 GLN A 35 -17.780 3.847 -6.329 1.00 12.33 O ATOM 584 NE2 GLN A 35 -19.180 5.300 -7.282 1.00 12.20 N ATOM 0 H GLN A 35 -14.328 5.219 -8.702 1.00 63.41 H new ATOM 0 HA GLN A 35 -14.642 7.514 -7.061 1.00 45.01 H new ATOM 0 HB2 GLN A 35 -15.242 4.567 -6.510 1.00 31.14 H new ATOM 0 HB3 GLN A 35 -15.819 5.902 -5.532 1.00 31.14 H new ATOM 0 HG2 GLN A 35 -17.098 6.777 -7.484 1.00 63.22 H new ATOM 0 HG3 GLN A 35 -16.526 5.437 -8.458 1.00 63.22 H new ATOM 0 HE21 GLN A 35 -19.301 6.165 -7.810 1.00 12.20 H new ATOM 0 HE22 GLN A 35 -19.995 4.756 -7.000 1.00 12.20 H new ATOM 593 N GLN A 36 -12.691 5.082 -5.870 1.00 21.03 N ATOM 594 CA GLN A 36 -11.683 4.683 -4.867 1.00 42.35 C ATOM 595 C GLN A 36 -10.279 5.224 -5.190 1.00 11.11 C ATOM 596 O GLN A 36 -9.365 5.067 -4.377 1.00 54.11 O ATOM 597 CB GLN A 36 -11.658 3.141 -4.702 1.00 0.24 C ATOM 598 CG GLN A 36 -13.022 2.524 -4.332 1.00 51.33 C ATOM 599 CD GLN A 36 -13.631 3.072 -3.036 1.00 43.35 C ATOM 600 OE1 GLN A 36 -12.924 3.433 -2.092 1.00 31.32 O ATOM 601 NE2 GLN A 36 -14.951 3.143 -2.982 1.00 5.11 N ATOM 0 H GLN A 36 -12.972 4.318 -6.484 1.00 21.03 H new ATOM 0 HA GLN A 36 -11.981 5.134 -3.920 1.00 42.35 H new ATOM 0 HB2 GLN A 36 -11.309 2.693 -5.632 1.00 0.24 H new ATOM 0 HB3 GLN A 36 -10.933 2.881 -3.931 1.00 0.24 H new ATOM 0 HG2 GLN A 36 -13.721 2.699 -5.150 1.00 51.33 H new ATOM 0 HG3 GLN A 36 -12.906 1.444 -4.237 1.00 51.33 H new ATOM 0 HE21 GLN A 36 -15.511 2.837 -3.778 1.00 5.11 H new ATOM 0 HE22 GLN A 36 -15.409 3.503 -2.145 1.00 5.11 H new ATOM 610 N GLU A 37 -10.111 5.778 -6.409 1.00 33.35 N ATOM 611 CA GLU A 37 -8.874 6.439 -6.865 1.00 43.02 C ATOM 612 C GLU A 37 -8.442 7.527 -5.871 1.00 34.14 C ATOM 613 O GLU A 37 -7.315 7.502 -5.384 1.00 51.54 O ATOM 614 CB GLU A 37 -9.103 7.061 -8.265 1.00 73.44 C ATOM 615 CG GLU A 37 -7.871 7.747 -8.882 1.00 14.50 C ATOM 616 CD GLU A 37 -8.211 8.489 -10.181 1.00 5.24 C ATOM 617 OE1 GLU A 37 -8.047 7.916 -11.279 1.00 53.33 O ATOM 618 OE2 GLU A 37 -8.669 9.655 -10.101 1.00 25.33 O ATOM 0 H GLU A 37 -10.846 5.777 -7.116 1.00 33.35 H new ATOM 0 HA GLU A 37 -8.080 5.694 -6.924 1.00 43.02 H new ATOM 0 HB2 GLU A 37 -9.441 6.278 -8.943 1.00 73.44 H new ATOM 0 HB3 GLU A 37 -9.909 7.791 -8.194 1.00 73.44 H new ATOM 0 HG2 GLU A 37 -7.451 8.450 -8.163 1.00 14.50 H new ATOM 0 HG3 GLU A 37 -7.103 7.000 -9.083 1.00 14.50 H new ATOM 625 N VAL A 38 -9.385 8.440 -5.539 1.00 71.51 N ATOM 626 CA VAL A 38 -9.134 9.566 -4.609 1.00 75.23 C ATOM 627 C VAL A 38 -8.684 9.030 -3.233 1.00 13.11 C ATOM 628 O VAL A 38 -7.704 9.518 -2.657 1.00 40.45 O ATOM 629 CB VAL A 38 -10.404 10.496 -4.448 1.00 61.55 C ATOM 630 CG1 VAL A 38 -10.111 11.718 -3.538 1.00 51.44 C ATOM 631 CG2 VAL A 38 -10.944 10.952 -5.826 1.00 0.32 C ATOM 0 H VAL A 38 -10.336 8.417 -5.906 1.00 71.51 H new ATOM 0 HA VAL A 38 -8.337 10.174 -5.037 1.00 75.23 H new ATOM 0 HB VAL A 38 -11.177 9.902 -3.961 1.00 61.55 H new ATOM 0 HG11 VAL A 38 -11.008 12.332 -3.453 1.00 51.44 H new ATOM 0 HG12 VAL A 38 -9.813 11.372 -2.548 1.00 51.44 H new ATOM 0 HG13 VAL A 38 -9.306 12.311 -3.973 1.00 51.44 H new ATOM 0 HG21 VAL A 38 -11.816 11.589 -5.682 1.00 0.32 H new ATOM 0 HG22 VAL A 38 -10.170 11.510 -6.354 1.00 0.32 H new ATOM 0 HG23 VAL A 38 -11.226 10.078 -6.414 1.00 0.32 H new ATOM 641 N SER A 39 -9.386 7.979 -2.764 1.00 3.00 N ATOM 642 CA SER A 39 -9.062 7.276 -1.513 1.00 74.20 C ATOM 643 C SER A 39 -7.613 6.737 -1.521 1.00 61.21 C ATOM 644 O SER A 39 -6.823 7.052 -0.625 1.00 40.23 O ATOM 645 CB SER A 39 -10.064 6.119 -1.288 1.00 2.21 C ATOM 646 OG SER A 39 -11.395 6.602 -1.263 1.00 11.10 O ATOM 0 H SER A 39 -10.198 7.594 -3.247 1.00 3.00 H new ATOM 0 HA SER A 39 -9.142 7.990 -0.693 1.00 74.20 H new ATOM 0 HB2 SER A 39 -9.956 5.379 -2.081 1.00 2.21 H new ATOM 0 HB3 SER A 39 -9.838 5.614 -0.349 1.00 2.21 H new ATOM 0 HG SER A 39 -12.012 5.854 -1.121 1.00 11.10 H new ATOM 652 N TYR A 40 -7.278 5.971 -2.578 1.00 22.01 N ATOM 653 CA TYR A 40 -5.995 5.255 -2.698 1.00 52.24 C ATOM 654 C TYR A 40 -4.817 6.234 -2.739 1.00 11.20 C ATOM 655 O TYR A 40 -3.846 6.076 -1.991 1.00 50.12 O ATOM 656 CB TYR A 40 -5.998 4.358 -3.968 1.00 15.51 C ATOM 657 CG TYR A 40 -4.692 3.570 -4.191 1.00 54.44 C ATOM 658 CD1 TYR A 40 -4.270 2.606 -3.270 1.00 71.55 C ATOM 659 CD2 TYR A 40 -3.882 3.785 -5.318 1.00 11.23 C ATOM 660 CE1 TYR A 40 -3.103 1.896 -3.463 1.00 23.52 C ATOM 661 CE2 TYR A 40 -2.711 3.070 -5.510 1.00 15.42 C ATOM 662 CZ TYR A 40 -2.326 2.128 -4.577 1.00 33.25 C ATOM 663 OH TYR A 40 -1.164 1.400 -4.762 1.00 71.30 O ATOM 0 H TYR A 40 -7.896 5.832 -3.378 1.00 22.01 H new ATOM 0 HA TYR A 40 -5.876 4.623 -1.818 1.00 52.24 H new ATOM 0 HB2 TYR A 40 -6.827 3.653 -3.899 1.00 15.51 H new ATOM 0 HB3 TYR A 40 -6.184 4.984 -4.840 1.00 15.51 H new ATOM 0 HD1 TYR A 40 -4.868 2.414 -2.392 1.00 71.55 H new ATOM 0 HD2 TYR A 40 -4.178 4.522 -6.050 1.00 11.23 H new ATOM 0 HE1 TYR A 40 -2.797 1.156 -2.738 1.00 23.52 H new ATOM 0 HE2 TYR A 40 -2.103 3.248 -6.384 1.00 15.42 H new ATOM 0 HH TYR A 40 -1.143 0.651 -4.130 1.00 71.30 H new ATOM 673 N LEU A 41 -4.943 7.242 -3.616 1.00 1.11 N ATOM 674 CA LEU A 41 -3.922 8.270 -3.853 1.00 32.14 C ATOM 675 C LEU A 41 -3.618 9.070 -2.560 1.00 52.24 C ATOM 676 O LEU A 41 -2.436 9.226 -2.161 1.00 55.04 O ATOM 677 CB LEU A 41 -4.399 9.211 -5.000 1.00 72.12 C ATOM 678 CG LEU A 41 -4.569 8.566 -6.422 1.00 54.11 C ATOM 679 CD1 LEU A 41 -4.971 9.630 -7.471 1.00 24.52 C ATOM 680 CD2 LEU A 41 -3.310 7.781 -6.868 1.00 5.55 C ATOM 0 H LEU A 41 -5.776 7.366 -4.192 1.00 1.11 H new ATOM 0 HA LEU A 41 -2.992 7.786 -4.152 1.00 32.14 H new ATOM 0 HB2 LEU A 41 -5.355 9.645 -4.708 1.00 72.12 H new ATOM 0 HB3 LEU A 41 -3.688 10.033 -5.083 1.00 72.12 H new ATOM 0 HG LEU A 41 -5.379 7.841 -6.348 1.00 54.11 H new ATOM 0 HD11 LEU A 41 -5.082 9.156 -8.446 1.00 24.52 H new ATOM 0 HD12 LEU A 41 -5.916 10.088 -7.181 1.00 24.52 H new ATOM 0 HD13 LEU A 41 -4.198 10.397 -7.526 1.00 24.52 H new ATOM 0 HD21 LEU A 41 -3.478 7.355 -7.857 1.00 5.55 H new ATOM 0 HD22 LEU A 41 -2.455 8.456 -6.905 1.00 5.55 H new ATOM 0 HD23 LEU A 41 -3.110 6.980 -6.157 1.00 5.55 H new ATOM 692 N GLN A 42 -4.700 9.523 -1.886 1.00 34.10 N ATOM 693 CA GLN A 42 -4.601 10.304 -0.639 1.00 44.23 C ATOM 694 C GLN A 42 -3.896 9.479 0.459 1.00 73.15 C ATOM 695 O GLN A 42 -2.990 9.981 1.141 1.00 45.13 O ATOM 696 CB GLN A 42 -6.018 10.743 -0.175 1.00 31.25 C ATOM 697 CG GLN A 42 -6.033 11.769 0.977 1.00 61.40 C ATOM 698 CD GLN A 42 -7.445 12.154 1.435 1.00 51.53 C ATOM 699 OE1 GLN A 42 -8.406 12.113 0.665 1.00 62.14 O ATOM 700 NE2 GLN A 42 -7.580 12.552 2.690 1.00 61.03 N ATOM 0 H GLN A 42 -5.659 9.357 -2.192 1.00 34.10 H new ATOM 0 HA GLN A 42 -4.005 11.197 -0.827 1.00 44.23 H new ATOM 0 HB2 GLN A 42 -6.549 11.167 -1.027 1.00 31.25 H new ATOM 0 HB3 GLN A 42 -6.573 9.858 0.138 1.00 31.25 H new ATOM 0 HG2 GLN A 42 -5.484 11.360 1.825 1.00 61.40 H new ATOM 0 HG3 GLN A 42 -5.505 12.668 0.659 1.00 61.40 H new ATOM 0 HE21 GLN A 42 -6.768 12.577 3.307 1.00 61.03 H new ATOM 0 HE22 GLN A 42 -8.496 12.834 3.040 1.00 61.03 H new ATOM 709 N SER A 43 -4.296 8.190 0.563 1.00 25.32 N ATOM 710 CA SER A 43 -3.764 7.254 1.570 1.00 61.01 C ATOM 711 C SER A 43 -2.248 7.055 1.407 1.00 2.54 C ATOM 712 O SER A 43 -1.487 7.350 2.329 1.00 31.01 O ATOM 713 CB SER A 43 -4.496 5.894 1.486 1.00 32.21 C ATOM 714 OG SER A 43 -5.872 6.040 1.782 1.00 73.42 O ATOM 0 H SER A 43 -4.997 7.774 -0.051 1.00 25.32 H new ATOM 0 HA SER A 43 -3.941 7.690 2.553 1.00 61.01 H new ATOM 0 HB2 SER A 43 -4.378 5.474 0.487 1.00 32.21 H new ATOM 0 HB3 SER A 43 -4.043 5.189 2.183 1.00 32.21 H new ATOM 0 HG SER A 43 -6.339 6.400 0.999 1.00 73.42 H new ATOM 720 N ILE A 44 -1.827 6.603 0.204 1.00 43.34 N ATOM 721 CA ILE A 44 -0.419 6.250 -0.083 1.00 11.44 C ATOM 722 C ILE A 44 0.526 7.455 0.158 1.00 24.40 C ATOM 723 O ILE A 44 1.602 7.285 0.773 1.00 1.51 O ATOM 724 CB ILE A 44 -0.254 5.640 -1.537 1.00 45.04 C ATOM 725 CG1 ILE A 44 1.221 5.193 -1.834 1.00 72.15 C ATOM 726 CG2 ILE A 44 -0.770 6.602 -2.618 1.00 34.14 C ATOM 727 CD1 ILE A 44 1.493 4.796 -3.287 1.00 32.03 C ATOM 0 H ILE A 44 -2.451 6.473 -0.592 1.00 43.34 H new ATOM 0 HA ILE A 44 -0.125 5.470 0.619 1.00 11.44 H new ATOM 0 HB ILE A 44 -0.872 4.742 -1.567 1.00 45.04 H new ATOM 0 HG12 ILE A 44 1.894 6.007 -1.563 1.00 72.15 H new ATOM 0 HG13 ILE A 44 1.466 4.349 -1.190 1.00 72.15 H new ATOM 0 HG21 ILE A 44 -0.640 6.149 -3.601 1.00 34.14 H new ATOM 0 HG22 ILE A 44 -1.827 6.805 -2.449 1.00 34.14 H new ATOM 0 HG23 ILE A 44 -0.209 7.536 -2.572 1.00 34.14 H new ATOM 0 HD11 ILE A 44 2.537 4.503 -3.395 1.00 32.03 H new ATOM 0 HD12 ILE A 44 0.851 3.959 -3.562 1.00 32.03 H new ATOM 0 HD13 ILE A 44 1.285 5.643 -3.941 1.00 32.03 H new ATOM 739 N GLU A 45 0.093 8.682 -0.260 1.00 34.33 N ATOM 740 CA GLU A 45 0.848 9.923 0.046 1.00 0.00 C ATOM 741 C GLU A 45 1.002 10.131 1.562 1.00 45.52 C ATOM 742 O GLU A 45 2.118 10.355 2.042 1.00 31.15 O ATOM 743 CB GLU A 45 0.166 11.161 -0.572 1.00 13.44 C ATOM 744 CG GLU A 45 0.251 11.242 -2.093 1.00 44.20 C ATOM 745 CD GLU A 45 1.686 11.395 -2.647 1.00 30.34 C ATOM 746 OE1 GLU A 45 2.257 12.498 -2.527 1.00 75.11 O ATOM 747 OE2 GLU A 45 2.238 10.431 -3.223 1.00 62.23 O ATOM 0 H GLU A 45 -0.760 8.831 -0.800 1.00 34.33 H new ATOM 0 HA GLU A 45 1.838 9.805 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.884 11.165 -0.280 1.00 13.44 H new ATOM 0 HB3 GLU A 45 0.618 12.058 -0.148 1.00 13.44 H new ATOM 0 HG2 GLU A 45 -0.195 10.343 -2.518 1.00 44.20 H new ATOM 0 HG3 GLU A 45 -0.348 12.086 -2.433 1.00 44.20 H new ATOM 754 N THR A 46 -0.134 10.028 2.299 1.00 55.15 N ATOM 755 CA THR A 46 -0.180 10.234 3.766 1.00 23.11 C ATOM 756 C THR A 46 0.810 9.308 4.501 1.00 55.45 C ATOM 757 O THR A 46 1.520 9.747 5.403 1.00 4.21 O ATOM 758 CB THR A 46 -1.636 10.032 4.329 1.00 5.43 C ATOM 759 OG1 THR A 46 -2.520 10.985 3.720 1.00 31.32 O ATOM 760 CG2 THR A 46 -1.720 10.187 5.864 1.00 3.03 C ATOM 0 H THR A 46 -1.041 9.800 1.892 1.00 55.15 H new ATOM 0 HA THR A 46 0.119 11.266 3.951 1.00 23.11 H new ATOM 0 HB THR A 46 -1.928 9.010 4.087 1.00 5.43 H new ATOM 0 HG1 THR A 46 -2.730 10.699 2.806 1.00 31.32 H new ATOM 0 HG21 THR A 46 -2.749 10.036 6.189 1.00 3.03 H new ATOM 0 HG22 THR A 46 -1.077 9.447 6.340 1.00 3.03 H new ATOM 0 HG23 THR A 46 -1.393 11.188 6.147 1.00 3.03 H new ATOM 768 N VAL A 47 0.881 8.044 4.061 1.00 55.21 N ATOM 769 CA VAL A 47 1.748 7.023 4.688 1.00 40.51 C ATOM 770 C VAL A 47 3.232 7.328 4.412 1.00 11.24 C ATOM 771 O VAL A 47 4.083 7.148 5.289 1.00 63.30 O ATOM 772 CB VAL A 47 1.391 5.578 4.186 1.00 54.11 C ATOM 773 CG1 VAL A 47 2.179 4.488 4.953 1.00 73.33 C ATOM 774 CG2 VAL A 47 -0.125 5.340 4.284 1.00 70.31 C ATOM 0 H VAL A 47 0.345 7.697 3.266 1.00 55.21 H new ATOM 0 HA VAL A 47 1.573 7.060 5.763 1.00 40.51 H new ATOM 0 HB VAL A 47 1.688 5.505 3.140 1.00 54.11 H new ATOM 0 HG11 VAL A 47 1.902 3.504 4.574 1.00 73.33 H new ATOM 0 HG12 VAL A 47 3.248 4.644 4.810 1.00 73.33 H new ATOM 0 HG13 VAL A 47 1.942 4.548 6.015 1.00 73.33 H new ATOM 0 HG21 VAL A 47 -0.359 4.335 3.933 1.00 70.31 H new ATOM 0 HG22 VAL A 47 -0.444 5.446 5.321 1.00 70.31 H new ATOM 0 HG23 VAL A 47 -0.649 6.071 3.667 1.00 70.31 H new ATOM 784 N MET A 48 3.522 7.818 3.187 1.00 51.14 N ATOM 785 CA MET A 48 4.886 8.253 2.807 1.00 4.22 C ATOM 786 C MET A 48 5.279 9.581 3.500 1.00 42.43 C ATOM 787 O MET A 48 6.468 9.888 3.616 1.00 71.21 O ATOM 788 CB MET A 48 5.025 8.344 1.258 1.00 15.11 C ATOM 789 CG MET A 48 4.978 6.979 0.546 1.00 42.15 C ATOM 790 SD MET A 48 5.300 7.087 -1.234 1.00 31.54 S ATOM 791 CE MET A 48 3.817 7.880 -1.849 1.00 42.22 C ATOM 0 H MET A 48 2.831 7.923 2.444 1.00 51.14 H new ATOM 0 HA MET A 48 5.588 7.497 3.160 1.00 4.22 H new ATOM 0 HB2 MET A 48 4.226 8.974 0.868 1.00 15.11 H new ATOM 0 HB3 MET A 48 5.967 8.837 1.016 1.00 15.11 H new ATOM 0 HG2 MET A 48 5.712 6.314 1.001 1.00 42.15 H new ATOM 0 HG3 MET A 48 3.998 6.528 0.704 1.00 42.15 H new ATOM 0 HE1 MET A 48 3.384 7.274 -2.645 1.00 42.22 H new ATOM 0 HE2 MET A 48 3.096 7.983 -1.038 1.00 42.22 H new ATOM 0 HE3 MET A 48 4.067 8.866 -2.240 1.00 42.22 H new ATOM 801 N GLU A 49 4.277 10.351 3.975 1.00 74.11 N ATOM 802 CA GLU A 49 4.504 11.574 4.796 1.00 50.43 C ATOM 803 C GLU A 49 4.720 11.231 6.287 1.00 62.00 C ATOM 804 O GLU A 49 5.040 12.119 7.086 1.00 40.40 O ATOM 805 CB GLU A 49 3.311 12.555 4.640 1.00 21.50 C ATOM 806 CG GLU A 49 3.172 13.150 3.223 1.00 25.24 C ATOM 807 CD GLU A 49 1.936 14.044 3.047 1.00 21.14 C ATOM 808 OE1 GLU A 49 0.829 13.503 2.830 1.00 63.02 O ATOM 809 OE2 GLU A 49 2.061 15.287 3.128 1.00 33.45 O ATOM 0 H GLU A 49 3.292 10.150 3.805 1.00 74.11 H new ATOM 0 HA GLU A 49 5.413 12.052 4.431 1.00 50.43 H new ATOM 0 HB2 GLU A 49 2.389 12.034 4.897 1.00 21.50 H new ATOM 0 HB3 GLU A 49 3.427 13.369 5.356 1.00 21.50 H new ATOM 0 HG2 GLU A 49 4.065 13.731 2.993 1.00 25.24 H new ATOM 0 HG3 GLU A 49 3.127 12.336 2.500 1.00 25.24 H new ATOM 816 N LYS A 50 4.524 9.952 6.657 1.00 65.24 N ATOM 817 CA LYS A 50 4.739 9.458 8.038 1.00 31.43 C ATOM 818 C LYS A 50 6.143 8.854 8.173 1.00 54.32 C ATOM 819 O LYS A 50 6.567 8.049 7.330 1.00 41.21 O ATOM 820 CB LYS A 50 3.631 8.416 8.445 1.00 33.34 C ATOM 821 CG LYS A 50 2.410 9.028 9.185 1.00 72.04 C ATOM 822 CD LYS A 50 1.810 10.249 8.454 1.00 42.23 C ATOM 823 CE LYS A 50 0.635 10.887 9.190 1.00 70.35 C ATOM 824 NZ LYS A 50 0.155 12.105 8.485 1.00 72.52 N ATOM 0 H LYS A 50 4.212 9.228 6.010 1.00 65.24 H new ATOM 0 HA LYS A 50 4.661 10.303 8.722 1.00 31.43 H new ATOM 0 HB2 LYS A 50 3.279 7.910 7.546 1.00 33.34 H new ATOM 0 HB3 LYS A 50 4.082 7.656 9.083 1.00 33.34 H new ATOM 0 HG2 LYS A 50 1.640 8.264 9.297 1.00 72.04 H new ATOM 0 HG3 LYS A 50 2.713 9.325 10.189 1.00 72.04 H new ATOM 0 HD2 LYS A 50 2.590 10.998 8.315 1.00 42.23 H new ATOM 0 HD3 LYS A 50 1.482 9.942 7.461 1.00 42.23 H new ATOM 0 HE2 LYS A 50 -0.179 10.167 9.273 1.00 70.35 H new ATOM 0 HE3 LYS A 50 0.936 11.146 10.205 1.00 70.35 H new ATOM 0 HZ1 LYS A 50 -0.810 12.332 8.801 1.00 72.52 H new ATOM 0 HZ2 LYS A 50 0.787 12.903 8.701 1.00 72.52 H new ATOM 0 HZ3 LYS A 50 0.152 11.934 7.459 1.00 72.52 H new ATOM 838 N GLN A 51 6.853 9.261 9.243 1.00 73.45 N ATOM 839 CA GLN A 51 8.146 8.684 9.624 1.00 74.50 C ATOM 840 C GLN A 51 7.937 7.238 10.111 1.00 74.24 C ATOM 841 O GLN A 51 6.848 6.899 10.614 1.00 14.00 O ATOM 842 CB GLN A 51 8.806 9.543 10.742 1.00 52.33 C ATOM 843 CG GLN A 51 10.216 9.078 11.187 1.00 14.31 C ATOM 844 CD GLN A 51 10.788 9.871 12.365 1.00 2.22 C ATOM 845 OE1 GLN A 51 10.611 9.497 13.527 1.00 23.51 O ATOM 846 NE2 GLN A 51 11.460 10.978 12.077 1.00 13.42 N ATOM 0 H GLN A 51 6.539 10.004 9.867 1.00 73.45 H new ATOM 0 HA GLN A 51 8.809 8.677 8.759 1.00 74.50 H new ATOM 0 HB2 GLN A 51 8.874 10.574 10.393 1.00 52.33 H new ATOM 0 HB3 GLN A 51 8.150 9.544 11.612 1.00 52.33 H new ATOM 0 HG2 GLN A 51 10.171 8.024 11.459 1.00 14.31 H new ATOM 0 HG3 GLN A 51 10.899 9.160 10.341 1.00 14.31 H new ATOM 0 HE21 GLN A 51 11.588 11.259 11.105 1.00 13.42 H new ATOM 0 HE22 GLN A 51 11.849 11.549 12.828 1.00 13.42 H new ATOM 855 N THR A 52 8.973 6.396 9.946 1.00 2.43 N ATOM 856 CA THR A 52 8.992 5.029 10.477 1.00 31.22 C ATOM 857 C THR A 52 8.840 5.063 12.025 1.00 73.32 C ATOM 858 O THR A 52 9.666 5.700 12.690 1.00 3.44 O ATOM 859 CB THR A 52 10.332 4.314 10.092 1.00 62.04 C ATOM 860 OG1 THR A 52 10.570 4.478 8.686 1.00 32.42 O ATOM 861 CG2 THR A 52 10.305 2.813 10.436 1.00 73.31 C ATOM 0 H THR A 52 9.821 6.649 9.439 1.00 2.43 H new ATOM 0 HA THR A 52 8.160 4.473 10.044 1.00 31.22 H new ATOM 0 HB THR A 52 11.134 4.772 10.671 1.00 62.04 H new ATOM 0 HG1 THR A 52 11.534 4.456 8.513 1.00 32.42 H new ATOM 0 HG21 THR A 52 11.254 2.358 10.152 1.00 73.31 H new ATOM 0 HG22 THR A 52 10.149 2.688 11.507 1.00 73.31 H new ATOM 0 HG23 THR A 52 9.493 2.330 9.892 1.00 73.31 H new ATOM 869 N PRO A 53 7.759 4.447 12.616 1.00 43.11 N ATOM 870 CA PRO A 53 7.572 4.398 14.091 1.00 24.11 C ATOM 871 C PRO A 53 8.703 3.619 14.815 1.00 55.12 C ATOM 872 O PRO A 53 9.328 2.732 14.214 1.00 5.45 O ATOM 873 CB PRO A 53 6.194 3.683 14.259 1.00 43.42 C ATOM 874 CG PRO A 53 5.513 3.864 12.941 1.00 52.15 C ATOM 875 CD PRO A 53 6.622 3.803 11.914 1.00 42.11 C ATOM 0 HA PRO A 53 7.602 5.391 14.539 1.00 24.11 H new ATOM 0 HB2 PRO A 53 6.322 2.627 14.498 1.00 43.42 H new ATOM 0 HB3 PRO A 53 5.614 4.125 15.069 1.00 43.42 H new ATOM 0 HG2 PRO A 53 4.773 3.083 12.769 1.00 52.15 H new ATOM 0 HG3 PRO A 53 4.986 4.817 12.897 1.00 52.15 H new ATOM 0 HD2 PRO A 53 6.852 2.777 11.629 1.00 42.11 H new ATOM 0 HD3 PRO A 53 6.357 4.336 11.001 1.00 42.11 H new ATOM 883 N PRO A 54 8.973 3.943 16.122 1.00 73.35 N ATOM 884 CA PRO A 54 9.992 3.239 16.940 1.00 35.34 C ATOM 885 C PRO A 54 9.605 1.773 17.233 1.00 5.33 C ATOM 886 O PRO A 54 10.416 0.862 17.057 1.00 72.13 O ATOM 887 CB PRO A 54 10.070 4.085 18.250 1.00 3.14 C ATOM 888 CG PRO A 54 9.414 5.391 17.912 1.00 41.54 C ATOM 889 CD PRO A 54 8.351 5.052 16.896 1.00 23.41 C ATOM 0 HA PRO A 54 10.950 3.167 16.424 1.00 35.34 H new ATOM 0 HB2 PRO A 54 9.556 3.587 19.072 1.00 3.14 H new ATOM 0 HB3 PRO A 54 11.104 4.232 18.563 1.00 3.14 H new ATOM 0 HG2 PRO A 54 8.978 5.853 18.798 1.00 41.54 H new ATOM 0 HG3 PRO A 54 10.135 6.100 17.505 1.00 41.54 H new ATOM 0 HD2 PRO A 54 7.421 4.740 17.372 1.00 23.41 H new ATOM 0 HD3 PRO A 54 8.113 5.905 16.260 1.00 23.41 H new ATOM 897 N GLY A 55 8.350 1.572 17.675 1.00 13.42 N ATOM 898 CA GLY A 55 7.868 0.265 18.136 1.00 62.33 C ATOM 899 C GLY A 55 7.391 -0.652 17.016 1.00 54.04 C ATOM 900 O GLY A 55 6.219 -1.035 16.985 1.00 62.31 O ATOM 0 H GLY A 55 7.647 2.310 17.721 1.00 13.42 H new ATOM 0 HA2 GLY A 55 8.668 -0.233 18.683 1.00 62.33 H new ATOM 0 HA3 GLY A 55 7.049 0.419 18.839 1.00 62.33 H new ATOM 904 N ILE A 56 8.299 -0.973 16.076 1.00 11.40 N ATOM 905 CA ILE A 56 8.081 -2.007 15.048 1.00 21.45 C ATOM 906 C ILE A 56 8.816 -3.284 15.490 1.00 33.13 C ATOM 907 O ILE A 56 10.040 -3.270 15.636 1.00 22.23 O ATOM 908 CB ILE A 56 8.577 -1.534 13.621 1.00 34.24 C ATOM 909 CG1 ILE A 56 7.734 -0.308 13.136 1.00 41.44 C ATOM 910 CG2 ILE A 56 8.533 -2.694 12.580 1.00 44.44 C ATOM 911 CD1 ILE A 56 8.091 0.209 11.755 1.00 10.23 C ATOM 0 H ILE A 56 9.210 -0.519 16.008 1.00 11.40 H new ATOM 0 HA ILE A 56 7.012 -2.200 14.953 1.00 21.45 H new ATOM 0 HB ILE A 56 9.619 -1.227 13.711 1.00 34.24 H new ATOM 0 HG12 ILE A 56 6.680 -0.585 13.142 1.00 41.44 H new ATOM 0 HG13 ILE A 56 7.854 0.503 13.854 1.00 41.44 H new ATOM 0 HG21 ILE A 56 8.881 -2.329 11.614 1.00 44.44 H new ATOM 0 HG22 ILE A 56 9.177 -3.507 12.914 1.00 44.44 H new ATOM 0 HG23 ILE A 56 7.510 -3.058 12.484 1.00 44.44 H new ATOM 0 HD11 ILE A 56 7.453 1.058 11.508 1.00 10.23 H new ATOM 0 HD12 ILE A 56 9.135 0.523 11.743 1.00 10.23 H new ATOM 0 HD13 ILE A 56 7.942 -0.582 11.020 1.00 10.23 H new ATOM 923 N THR A 57 8.050 -4.363 15.743 1.00 41.13 N ATOM 924 CA THR A 57 8.580 -5.682 16.127 1.00 1.32 C ATOM 925 C THR A 57 8.560 -6.623 14.902 1.00 41.44 C ATOM 926 O THR A 57 8.389 -6.153 13.766 1.00 23.12 O ATOM 927 CB THR A 57 7.729 -6.274 17.303 1.00 62.32 C ATOM 928 OG1 THR A 57 6.353 -6.369 16.904 1.00 12.12 O ATOM 929 CG2 THR A 57 7.835 -5.418 18.581 1.00 13.14 C ATOM 0 H THR A 57 7.032 -4.341 15.685 1.00 41.13 H new ATOM 0 HA THR A 57 9.610 -5.580 16.469 1.00 1.32 H new ATOM 0 HB THR A 57 8.125 -7.264 17.530 1.00 62.32 H new ATOM 0 HG1 THR A 57 5.824 -6.741 17.640 1.00 12.12 H new ATOM 0 HG21 THR A 57 7.230 -5.865 19.370 1.00 13.14 H new ATOM 0 HG22 THR A 57 8.875 -5.373 18.903 1.00 13.14 H new ATOM 0 HG23 THR A 57 7.475 -4.410 18.375 1.00 13.14 H new ATOM 937 N ARG A 58 8.754 -7.939 15.145 1.00 74.34 N ATOM 938 CA ARG A 58 8.769 -8.972 14.093 1.00 12.13 C ATOM 939 C ARG A 58 7.418 -9.031 13.358 1.00 33.01 C ATOM 940 O ARG A 58 7.358 -8.715 12.171 1.00 73.13 O ATOM 941 CB ARG A 58 9.123 -10.352 14.715 1.00 34.14 C ATOM 942 CG ARG A 58 9.339 -11.517 13.713 1.00 62.10 C ATOM 943 CD ARG A 58 10.470 -11.253 12.692 1.00 24.10 C ATOM 944 NE ARG A 58 11.060 -12.512 12.195 1.00 40.45 N ATOM 945 CZ ARG A 58 10.680 -13.193 11.104 1.00 61.43 C ATOM 946 NH1 ARG A 58 9.681 -12.777 10.334 1.00 65.13 N ATOM 947 NH2 ARG A 58 11.301 -14.325 10.801 1.00 75.11 N ATOM 0 H ARG A 58 8.905 -8.313 16.082 1.00 74.34 H new ATOM 0 HA ARG A 58 9.531 -8.712 13.359 1.00 12.13 H new ATOM 0 HB2 ARG A 58 10.030 -10.238 15.309 1.00 34.14 H new ATOM 0 HB3 ARG A 58 8.325 -10.634 15.402 1.00 34.14 H new ATOM 0 HG2 ARG A 58 9.568 -12.426 14.269 1.00 62.10 H new ATOM 0 HG3 ARG A 58 8.409 -11.699 13.174 1.00 62.10 H new ATOM 0 HD2 ARG A 58 10.077 -10.679 11.853 1.00 24.10 H new ATOM 0 HD3 ARG A 58 11.246 -10.646 13.157 1.00 24.10 H new ATOM 0 HE ARG A 58 11.833 -12.902 12.735 1.00 40.45 H new ATOM 0 HH11 ARG A 58 9.181 -11.919 10.567 1.00 65.13 H new ATOM 0 HH12 ARG A 58 9.414 -13.316 9.510 1.00 65.13 H new ATOM 0 HH21 ARG A 58 12.057 -14.667 11.395 1.00 75.11 H new ATOM 0 HH22 ARG A 58 11.023 -14.854 9.974 1.00 75.11 H new ATOM 961 N SER A 59 6.339 -9.388 14.097 1.00 5.30 N ATOM 962 CA SER A 59 4.974 -9.526 13.537 1.00 5.51 C ATOM 963 C SER A 59 4.521 -8.242 12.809 1.00 62.02 C ATOM 964 O SER A 59 3.870 -8.310 11.763 1.00 43.24 O ATOM 965 CB SER A 59 3.971 -9.867 14.658 1.00 21.13 C ATOM 966 OG SER A 59 4.362 -11.029 15.370 1.00 51.20 O ATOM 0 H SER A 59 6.391 -9.588 15.096 1.00 5.30 H new ATOM 0 HA SER A 59 5.000 -10.336 12.808 1.00 5.51 H new ATOM 0 HB2 SER A 59 3.894 -9.026 15.347 1.00 21.13 H new ATOM 0 HB3 SER A 59 2.981 -10.019 14.228 1.00 21.13 H new ATOM 0 HG SER A 59 3.707 -11.217 16.074 1.00 51.20 H new ATOM 972 N ILE A 60 4.898 -7.079 13.381 1.00 13.24 N ATOM 973 CA ILE A 60 4.594 -5.756 12.809 1.00 43.20 C ATOM 974 C ILE A 60 5.284 -5.583 11.445 1.00 72.14 C ATOM 975 O ILE A 60 4.638 -5.175 10.478 1.00 22.22 O ATOM 976 CB ILE A 60 5.004 -4.592 13.787 1.00 1.12 C ATOM 977 CG1 ILE A 60 4.166 -4.675 15.104 1.00 64.00 C ATOM 978 CG2 ILE A 60 4.861 -3.195 13.119 1.00 51.03 C ATOM 979 CD1 ILE A 60 4.532 -3.645 16.155 1.00 44.02 C ATOM 0 H ILE A 60 5.423 -7.034 14.254 1.00 13.24 H new ATOM 0 HA ILE A 60 3.515 -5.701 12.664 1.00 43.20 H new ATOM 0 HB ILE A 60 6.058 -4.718 14.034 1.00 1.12 H new ATOM 0 HG12 ILE A 60 3.111 -4.561 14.855 1.00 64.00 H new ATOM 0 HG13 ILE A 60 4.286 -5.670 15.533 1.00 64.00 H new ATOM 0 HG21 ILE A 60 5.154 -2.421 13.828 1.00 51.03 H new ATOM 0 HG22 ILE A 60 5.504 -3.144 12.240 1.00 51.03 H new ATOM 0 HG23 ILE A 60 3.825 -3.039 12.820 1.00 51.03 H new ATOM 0 HD11 ILE A 60 3.899 -3.779 17.032 1.00 44.02 H new ATOM 0 HD12 ILE A 60 5.577 -3.770 16.439 1.00 44.02 H new ATOM 0 HD13 ILE A 60 4.383 -2.644 15.750 1.00 44.02 H new ATOM 991 N GLN A 61 6.584 -5.939 11.377 1.00 54.22 N ATOM 992 CA GLN A 61 7.384 -5.835 10.141 1.00 40.10 C ATOM 993 C GLN A 61 6.803 -6.730 9.026 1.00 35.55 C ATOM 994 O GLN A 61 6.761 -6.328 7.865 1.00 51.23 O ATOM 995 CB GLN A 61 8.869 -6.207 10.419 1.00 33.32 C ATOM 996 CG GLN A 61 9.777 -6.130 9.173 1.00 2.14 C ATOM 997 CD GLN A 61 11.218 -6.569 9.413 1.00 1.44 C ATOM 998 OE1 GLN A 61 11.766 -6.408 10.502 1.00 4.32 O ATOM 999 NE2 GLN A 61 11.851 -7.123 8.390 1.00 63.25 N ATOM 0 H GLN A 61 7.105 -6.305 12.174 1.00 54.22 H new ATOM 0 HA GLN A 61 7.342 -4.801 9.800 1.00 40.10 H new ATOM 0 HB2 GLN A 61 9.263 -5.540 11.185 1.00 33.32 H new ATOM 0 HB3 GLN A 61 8.910 -7.218 10.825 1.00 33.32 H new ATOM 0 HG2 GLN A 61 9.347 -6.751 8.387 1.00 2.14 H new ATOM 0 HG3 GLN A 61 9.780 -5.105 8.804 1.00 2.14 H new ATOM 0 HE21 GLN A 61 11.371 -7.244 7.498 1.00 63.25 H new ATOM 0 HE22 GLN A 61 12.819 -7.429 8.494 1.00 63.25 H new ATOM 1008 N ASP A 62 6.342 -7.931 9.405 1.00 12.01 N ATOM 1009 CA ASP A 62 5.741 -8.901 8.464 1.00 21.54 C ATOM 1010 C ASP A 62 4.375 -8.420 7.935 1.00 42.54 C ATOM 1011 O ASP A 62 4.050 -8.654 6.768 1.00 73.21 O ATOM 1012 CB ASP A 62 5.592 -10.291 9.132 1.00 33.30 C ATOM 1013 CG ASP A 62 6.940 -11.004 9.351 1.00 74.02 C ATOM 1014 OD1 ASP A 62 7.410 -11.713 8.427 1.00 35.44 O ATOM 1015 OD2 ASP A 62 7.527 -10.870 10.441 1.00 64.22 O ATOM 0 H ASP A 62 6.373 -8.261 10.370 1.00 12.01 H new ATOM 0 HA ASP A 62 6.417 -8.984 7.613 1.00 21.54 H new ATOM 0 HB2 ASP A 62 5.089 -10.174 10.092 1.00 33.30 H new ATOM 0 HB3 ASP A 62 4.952 -10.919 8.512 1.00 33.30 H new ATOM 1020 N MET A 63 3.574 -7.767 8.805 1.00 74.05 N ATOM 1021 CA MET A 63 2.263 -7.207 8.409 1.00 40.22 C ATOM 1022 C MET A 63 2.450 -6.023 7.448 1.00 52.43 C ATOM 1023 O MET A 63 1.842 -5.999 6.373 1.00 22.15 O ATOM 1024 CB MET A 63 1.412 -6.774 9.639 1.00 33.11 C ATOM 1025 CG MET A 63 0.945 -7.929 10.528 1.00 73.51 C ATOM 1026 SD MET A 63 -0.134 -7.373 11.871 1.00 62.41 S ATOM 1027 CE MET A 63 0.927 -6.248 12.788 1.00 21.01 C ATOM 0 H MET A 63 3.812 -7.615 9.785 1.00 74.05 H new ATOM 0 HA MET A 63 1.717 -8.000 7.898 1.00 40.22 H new ATOM 0 HB2 MET A 63 1.997 -6.081 10.243 1.00 33.11 H new ATOM 0 HB3 MET A 63 0.537 -6.228 9.285 1.00 33.11 H new ATOM 0 HG2 MET A 63 0.415 -8.661 9.919 1.00 73.51 H new ATOM 0 HG3 MET A 63 1.814 -8.434 10.949 1.00 73.51 H new ATOM 0 HE1 MET A 63 0.357 -5.787 13.595 1.00 21.01 H new ATOM 0 HE2 MET A 63 1.768 -6.801 13.207 1.00 21.01 H new ATOM 0 HE3 MET A 63 1.300 -5.473 12.119 1.00 21.01 H new ATOM 1037 N VAL A 64 3.330 -5.076 7.840 1.00 12.23 N ATOM 1038 CA VAL A 64 3.640 -3.869 7.056 1.00 70.04 C ATOM 1039 C VAL A 64 4.220 -4.260 5.684 1.00 4.40 C ATOM 1040 O VAL A 64 3.605 -3.960 4.662 1.00 50.04 O ATOM 1041 CB VAL A 64 4.619 -2.902 7.844 1.00 34.34 C ATOM 1042 CG1 VAL A 64 5.131 -1.741 6.954 1.00 33.14 C ATOM 1043 CG2 VAL A 64 3.934 -2.353 9.126 1.00 71.04 C ATOM 0 H VAL A 64 3.847 -5.132 8.717 1.00 12.23 H new ATOM 0 HA VAL A 64 2.713 -3.320 6.892 1.00 70.04 H new ATOM 0 HB VAL A 64 5.488 -3.490 8.138 1.00 34.34 H new ATOM 0 HG11 VAL A 64 5.798 -1.104 7.535 1.00 33.14 H new ATOM 0 HG12 VAL A 64 5.671 -2.149 6.100 1.00 33.14 H new ATOM 0 HG13 VAL A 64 4.284 -1.153 6.601 1.00 33.14 H new ATOM 0 HG21 VAL A 64 4.623 -1.692 9.652 1.00 71.04 H new ATOM 0 HG22 VAL A 64 3.037 -1.798 8.850 1.00 71.04 H new ATOM 0 HG23 VAL A 64 3.661 -3.184 9.777 1.00 71.04 H new ATOM 1053 N ALA A 65 5.365 -4.992 5.686 1.00 64.02 N ATOM 1054 CA ALA A 65 6.049 -5.428 4.445 1.00 52.50 C ATOM 1055 C ALA A 65 5.141 -6.323 3.583 1.00 32.42 C ATOM 1056 O ALA A 65 5.137 -6.197 2.362 1.00 2.24 O ATOM 1057 CB ALA A 65 7.378 -6.143 4.752 1.00 4.13 C ATOM 0 H ALA A 65 5.834 -5.293 6.540 1.00 64.02 H new ATOM 0 HA ALA A 65 6.275 -4.527 3.874 1.00 52.50 H new ATOM 0 HB1 ALA A 65 7.851 -6.448 3.819 1.00 4.13 H new ATOM 0 HB2 ALA A 65 8.040 -5.465 5.290 1.00 4.13 H new ATOM 0 HB3 ALA A 65 7.184 -7.023 5.365 1.00 4.13 H new ATOM 1063 N GLY A 66 4.355 -7.203 4.238 1.00 53.04 N ATOM 1064 CA GLY A 66 3.379 -8.054 3.537 1.00 70.03 C ATOM 1065 C GLY A 66 2.353 -7.241 2.755 1.00 52.12 C ATOM 1066 O GLY A 66 2.041 -7.558 1.599 1.00 31.01 O ATOM 0 H GLY A 66 4.379 -7.340 5.248 1.00 53.04 H new ATOM 0 HA2 GLY A 66 3.907 -8.721 2.855 1.00 70.03 H new ATOM 0 HA3 GLY A 66 2.863 -8.683 4.262 1.00 70.03 H new ATOM 1070 N TYR A 67 1.870 -6.156 3.387 1.00 20.14 N ATOM 1071 CA TYR A 67 0.921 -5.218 2.763 1.00 72.12 C ATOM 1072 C TYR A 67 1.586 -4.392 1.657 1.00 63.11 C ATOM 1073 O TYR A 67 0.935 -4.099 0.648 1.00 24.24 O ATOM 1074 CB TYR A 67 0.292 -4.275 3.815 1.00 32.35 C ATOM 1075 CG TYR A 67 -0.737 -4.941 4.740 1.00 41.14 C ATOM 1076 CD1 TYR A 67 -1.537 -6.012 4.311 1.00 1.30 C ATOM 1077 CD2 TYR A 67 -0.934 -4.468 6.030 1.00 52.24 C ATOM 1078 CE1 TYR A 67 -2.484 -6.573 5.144 1.00 63.24 C ATOM 1079 CE2 TYR A 67 -1.871 -5.030 6.855 1.00 41.42 C ATOM 1080 CZ TYR A 67 -2.644 -6.079 6.414 1.00 4.15 C ATOM 1081 OH TYR A 67 -3.590 -6.634 7.249 1.00 61.35 O ATOM 0 H TYR A 67 2.126 -5.906 4.342 1.00 20.14 H new ATOM 0 HA TYR A 67 0.131 -5.820 2.314 1.00 72.12 H new ATOM 0 HB2 TYR A 67 1.089 -3.851 4.426 1.00 32.35 H new ATOM 0 HB3 TYR A 67 -0.189 -3.445 3.298 1.00 32.35 H new ATOM 0 HD1 TYR A 67 -1.409 -6.403 3.313 1.00 1.30 H new ATOM 0 HD2 TYR A 67 -0.338 -3.642 6.389 1.00 52.24 H new ATOM 0 HE1 TYR A 67 -3.094 -7.394 4.799 1.00 63.24 H new ATOM 0 HE2 TYR A 67 -2.004 -4.648 7.856 1.00 41.42 H new ATOM 0 HH TYR A 67 -3.576 -6.171 8.113 1.00 61.35 H new ATOM 1091 N ILE A 68 2.879 -4.019 1.858 1.00 62.02 N ATOM 1092 CA ILE A 68 3.659 -3.263 0.858 1.00 50.23 C ATOM 1093 C ILE A 68 3.739 -4.087 -0.435 1.00 44.40 C ATOM 1094 O ILE A 68 3.280 -3.639 -1.483 1.00 30.44 O ATOM 1095 CB ILE A 68 5.129 -2.907 1.333 1.00 54.21 C ATOM 1096 CG1 ILE A 68 5.125 -2.085 2.658 1.00 44.40 C ATOM 1097 CG2 ILE A 68 5.895 -2.146 0.219 1.00 75.23 C ATOM 1098 CD1 ILE A 68 6.503 -1.743 3.211 1.00 32.32 C ATOM 0 H ILE A 68 3.398 -4.234 2.709 1.00 62.02 H new ATOM 0 HA ILE A 68 3.141 -2.317 0.703 1.00 50.23 H new ATOM 0 HB ILE A 68 5.645 -3.846 1.532 1.00 54.21 H new ATOM 0 HG12 ILE A 68 4.578 -1.157 2.490 1.00 44.40 H new ATOM 0 HG13 ILE A 68 4.576 -2.647 3.414 1.00 44.40 H new ATOM 0 HG21 ILE A 68 6.902 -1.911 0.565 1.00 75.23 H new ATOM 0 HG22 ILE A 68 5.954 -2.770 -0.673 1.00 75.23 H new ATOM 0 HG23 ILE A 68 5.368 -1.222 -0.019 1.00 75.23 H new ATOM 0 HD11 ILE A 68 6.394 -1.171 4.133 1.00 32.32 H new ATOM 0 HD12 ILE A 68 7.051 -2.663 3.417 1.00 32.32 H new ATOM 0 HD13 ILE A 68 7.052 -1.150 2.479 1.00 32.32 H new ATOM 1110 N LYS A 69 4.263 -5.328 -0.301 1.00 12.21 N ATOM 1111 CA LYS A 69 4.428 -6.277 -1.414 1.00 75.42 C ATOM 1112 C LYS A 69 3.095 -6.468 -2.141 1.00 51.12 C ATOM 1113 O LYS A 69 3.032 -6.345 -3.363 1.00 15.13 O ATOM 1114 CB LYS A 69 4.934 -7.655 -0.889 1.00 1.32 C ATOM 1115 CG LYS A 69 5.331 -8.671 -1.987 1.00 61.22 C ATOM 1116 CD LYS A 69 6.552 -8.198 -2.818 1.00 0.40 C ATOM 1117 CE LYS A 69 6.987 -9.224 -3.882 1.00 45.21 C ATOM 1118 NZ LYS A 69 5.928 -9.488 -4.891 1.00 32.11 N ATOM 0 H LYS A 69 4.585 -5.697 0.594 1.00 12.21 H new ATOM 0 HA LYS A 69 5.165 -5.870 -2.106 1.00 75.42 H new ATOM 0 HB2 LYS A 69 5.796 -7.486 -0.244 1.00 1.32 H new ATOM 0 HB3 LYS A 69 4.154 -8.099 -0.270 1.00 1.32 H new ATOM 0 HG2 LYS A 69 5.560 -9.631 -1.524 1.00 61.22 H new ATOM 0 HG3 LYS A 69 4.483 -8.832 -2.652 1.00 61.22 H new ATOM 0 HD2 LYS A 69 6.308 -7.255 -3.308 1.00 0.40 H new ATOM 0 HD3 LYS A 69 7.388 -8.002 -2.147 1.00 0.40 H new ATOM 0 HE2 LYS A 69 7.882 -8.860 -4.387 1.00 45.21 H new ATOM 0 HE3 LYS A 69 7.256 -10.159 -3.391 1.00 45.21 H new ATOM 0 HZ1 LYS A 69 5.886 -10.508 -5.092 1.00 32.11 H new ATOM 0 HZ2 LYS A 69 5.009 -9.170 -4.521 1.00 32.11 H new ATOM 0 HZ3 LYS A 69 6.146 -8.971 -5.767 1.00 32.11 H new ATOM 1132 N GLN A 70 2.034 -6.688 -1.336 1.00 42.21 N ATOM 1133 CA GLN A 70 0.686 -6.973 -1.829 1.00 41.13 C ATOM 1134 C GLN A 70 0.162 -5.833 -2.718 1.00 75.35 C ATOM 1135 O GLN A 70 -0.301 -6.089 -3.827 1.00 4.24 O ATOM 1136 CB GLN A 70 -0.283 -7.212 -0.645 1.00 13.10 C ATOM 1137 CG GLN A 70 -1.672 -7.730 -1.064 1.00 52.31 C ATOM 1138 CD GLN A 70 -2.591 -8.044 0.114 1.00 2.35 C ATOM 1139 OE1 GLN A 70 -3.397 -9.082 -0.028 1.00 61.35 O flip ATOM 1140 NE2 GLN A 70 -2.557 -7.385 1.152 1.00 41.31 N flip ATOM 0 H GLN A 70 2.098 -6.671 -0.318 1.00 42.21 H new ATOM 0 HA GLN A 70 0.738 -7.878 -2.435 1.00 41.13 H new ATOM 0 HB2 GLN A 70 0.168 -7.929 0.041 1.00 13.10 H new ATOM 0 HB3 GLN A 70 -0.406 -6.279 -0.096 1.00 13.10 H new ATOM 0 HG2 GLN A 70 -2.151 -6.985 -1.699 1.00 52.31 H new ATOM 0 HG3 GLN A 70 -1.548 -8.630 -1.666 1.00 52.31 H new ATOM 0 HE21 GLN A 70 -1.924 -6.589 1.230 1.00 41.31 H new ATOM 0 HE22 GLN A 70 -3.162 -7.634 1.934 1.00 41.31 H new ATOM 1149 N THR A 71 0.296 -4.574 -2.238 1.00 25.11 N ATOM 1150 CA THR A 71 -0.237 -3.390 -2.938 1.00 50.22 C ATOM 1151 C THR A 71 0.655 -2.998 -4.128 1.00 11.14 C ATOM 1152 O THR A 71 0.187 -2.331 -5.058 1.00 53.05 O ATOM 1153 CB THR A 71 -0.461 -2.168 -1.976 1.00 4.53 C ATOM 1154 OG1 THR A 71 -1.073 -1.074 -2.685 1.00 63.45 O ATOM 1155 CG2 THR A 71 0.810 -1.659 -1.287 1.00 22.43 C ATOM 0 H THR A 71 0.772 -4.356 -1.363 1.00 25.11 H new ATOM 0 HA THR A 71 -1.217 -3.672 -3.322 1.00 50.22 H new ATOM 0 HB THR A 71 -1.117 -2.544 -1.191 1.00 4.53 H new ATOM 0 HG1 THR A 71 -2.031 -1.249 -2.792 1.00 63.45 H new ATOM 0 HG21 THR A 71 0.562 -0.816 -0.643 1.00 22.43 H new ATOM 0 HG22 THR A 71 1.244 -2.459 -0.687 1.00 22.43 H new ATOM 0 HG23 THR A 71 1.530 -1.340 -2.041 1.00 22.43 H new ATOM 1163 N LEU A 72 1.941 -3.415 -4.088 1.00 15.14 N ATOM 1164 CA LEU A 72 2.872 -3.229 -5.218 1.00 42.12 C ATOM 1165 C LEU A 72 2.541 -4.207 -6.342 1.00 41.03 C ATOM 1166 O LEU A 72 2.700 -3.869 -7.511 1.00 63.31 O ATOM 1167 CB LEU A 72 4.363 -3.390 -4.794 1.00 51.41 C ATOM 1168 CG LEU A 72 4.904 -2.357 -3.757 1.00 51.22 C ATOM 1169 CD1 LEU A 72 6.449 -2.396 -3.662 1.00 35.23 C ATOM 1170 CD2 LEU A 72 4.369 -0.940 -4.046 1.00 2.22 C ATOM 0 H LEU A 72 2.356 -3.883 -3.282 1.00 15.14 H new ATOM 0 HA LEU A 72 2.744 -2.206 -5.572 1.00 42.12 H new ATOM 0 HB2 LEU A 72 4.495 -4.390 -4.381 1.00 51.41 H new ATOM 0 HB3 LEU A 72 4.981 -3.331 -5.690 1.00 51.41 H new ATOM 0 HG LEU A 72 4.527 -2.645 -2.776 1.00 51.22 H new ATOM 0 HD11 LEU A 72 6.787 -1.663 -2.930 1.00 35.23 H new ATOM 0 HD12 LEU A 72 6.770 -3.391 -3.354 1.00 35.23 H new ATOM 0 HD13 LEU A 72 6.879 -2.162 -4.636 1.00 35.23 H new ATOM 0 HD21 LEU A 72 4.764 -0.244 -3.306 1.00 2.22 H new ATOM 0 HD22 LEU A 72 4.684 -0.628 -5.042 1.00 2.22 H new ATOM 0 HD23 LEU A 72 3.280 -0.945 -3.995 1.00 2.22 H new ATOM 1182 N ASP A 73 2.095 -5.418 -5.961 1.00 12.01 N ATOM 1183 CA ASP A 73 1.660 -6.452 -6.915 1.00 4.25 C ATOM 1184 C ASP A 73 0.280 -6.112 -7.483 1.00 73.02 C ATOM 1185 O ASP A 73 0.042 -6.320 -8.667 1.00 60.32 O ATOM 1186 CB ASP A 73 1.635 -7.866 -6.269 1.00 33.11 C ATOM 1187 CG ASP A 73 3.023 -8.380 -5.849 1.00 20.50 C ATOM 1188 OD1 ASP A 73 3.156 -8.929 -4.732 1.00 54.44 O ATOM 1189 OD2 ASP A 73 3.989 -8.245 -6.640 1.00 5.43 O ATOM 0 H ASP A 73 2.026 -5.706 -4.985 1.00 12.01 H new ATOM 0 HA ASP A 73 2.389 -6.469 -7.725 1.00 4.25 H new ATOM 0 HB2 ASP A 73 0.986 -7.844 -5.394 1.00 33.11 H new ATOM 0 HB3 ASP A 73 1.195 -8.570 -6.975 1.00 33.11 H new ATOM 1194 N ASN A 74 -0.610 -5.570 -6.623 1.00 31.34 N ATOM 1195 CA ASN A 74 -1.961 -5.123 -7.031 1.00 52.42 C ATOM 1196 C ASN A 74 -1.827 -4.027 -8.098 1.00 13.14 C ATOM 1197 O ASN A 74 -2.382 -4.149 -9.196 1.00 41.02 O ATOM 1198 CB ASN A 74 -2.791 -4.602 -5.819 1.00 33.42 C ATOM 1199 CG ASN A 74 -3.150 -5.671 -4.776 1.00 24.21 C ATOM 1200 OD1 ASN A 74 -3.301 -6.850 -5.082 1.00 73.20 O ATOM 1201 ND2 ASN A 74 -3.294 -5.255 -3.529 1.00 64.23 N ATOM 0 H ASN A 74 -0.414 -5.430 -5.632 1.00 31.34 H new ATOM 0 HA ASN A 74 -2.497 -5.979 -7.442 1.00 52.42 H new ATOM 0 HB2 ASN A 74 -2.229 -3.808 -5.326 1.00 33.42 H new ATOM 0 HB3 ASN A 74 -3.712 -4.156 -6.193 1.00 33.42 H new ATOM 0 HD21 ASN A 74 -3.536 -5.920 -2.794 1.00 64.23 H new ATOM 0 HD22 ASN A 74 -3.163 -4.269 -3.302 1.00 64.23 H new ATOM 1208 N GLU A 75 -1.010 -2.994 -7.775 1.00 75.23 N ATOM 1209 CA GLU A 75 -0.689 -1.894 -8.698 1.00 21.40 C ATOM 1210 C GLU A 75 -0.006 -2.428 -9.972 1.00 40.42 C ATOM 1211 O GLU A 75 -0.361 -2.009 -11.068 1.00 21.50 O ATOM 1212 CB GLU A 75 0.194 -0.809 -8.002 1.00 20.53 C ATOM 1213 CG GLU A 75 0.912 0.164 -8.983 1.00 41.32 C ATOM 1214 CD GLU A 75 1.208 1.546 -8.393 1.00 60.12 C ATOM 1215 OE1 GLU A 75 2.328 1.776 -7.891 1.00 24.31 O ATOM 1216 OE2 GLU A 75 0.323 2.426 -8.485 1.00 44.53 O ATOM 0 H GLU A 75 -0.558 -2.907 -6.865 1.00 75.23 H new ATOM 0 HA GLU A 75 -1.626 -1.420 -8.990 1.00 21.40 H new ATOM 0 HB2 GLU A 75 -0.433 -0.227 -7.326 1.00 20.53 H new ATOM 0 HB3 GLU A 75 0.945 -1.308 -7.390 1.00 20.53 H new ATOM 0 HG2 GLU A 75 1.849 -0.289 -9.305 1.00 41.32 H new ATOM 0 HG3 GLU A 75 0.294 0.286 -9.873 1.00 41.32 H new ATOM 1223 N GLN A 76 0.938 -3.376 -9.803 1.00 65.55 N ATOM 1224 CA GLN A 76 1.708 -3.989 -10.916 1.00 24.42 C ATOM 1225 C GLN A 76 0.777 -4.631 -11.955 1.00 54.01 C ATOM 1226 O GLN A 76 0.953 -4.449 -13.169 1.00 10.34 O ATOM 1227 CB GLN A 76 2.695 -5.043 -10.341 1.00 22.30 C ATOM 1228 CG GLN A 76 3.421 -5.929 -11.370 1.00 13.41 C ATOM 1229 CD GLN A 76 4.367 -6.965 -10.746 1.00 71.12 C ATOM 1230 OE1 GLN A 76 4.038 -7.480 -9.559 1.00 72.00 O flip ATOM 1231 NE2 GLN A 76 5.379 -7.328 -11.342 1.00 62.41 N flip ATOM 0 H GLN A 76 1.193 -3.743 -8.886 1.00 65.55 H new ATOM 0 HA GLN A 76 2.270 -3.205 -11.424 1.00 24.42 H new ATOM 0 HB2 GLN A 76 3.446 -4.521 -9.748 1.00 22.30 H new ATOM 0 HB3 GLN A 76 2.145 -5.691 -9.659 1.00 22.30 H new ATOM 0 HG2 GLN A 76 2.678 -6.449 -11.975 1.00 13.41 H new ATOM 0 HG3 GLN A 76 3.992 -5.291 -12.045 1.00 13.41 H new ATOM 0 HE21 GLN A 76 5.611 -6.921 -12.248 1.00 62.41 H new ATOM 0 HE22 GLN A 76 5.987 -8.036 -10.931 1.00 62.41 H new ATOM 1240 N LEU A 77 -0.231 -5.350 -11.447 1.00 55.13 N ATOM 1241 CA LEU A 77 -1.223 -6.052 -12.268 1.00 44.41 C ATOM 1242 C LEU A 77 -2.160 -5.054 -12.964 1.00 33.12 C ATOM 1243 O LEU A 77 -2.550 -5.272 -14.113 1.00 2.30 O ATOM 1244 CB LEU A 77 -2.022 -7.043 -11.389 1.00 64.31 C ATOM 1245 CG LEU A 77 -1.201 -8.212 -10.759 1.00 62.01 C ATOM 1246 CD1 LEU A 77 -2.054 -9.015 -9.760 1.00 13.45 C ATOM 1247 CD2 LEU A 77 -0.594 -9.123 -11.843 1.00 25.13 C ATOM 0 H LEU A 77 -0.382 -5.462 -10.444 1.00 55.13 H new ATOM 0 HA LEU A 77 -0.705 -6.614 -13.045 1.00 44.41 H new ATOM 0 HB2 LEU A 77 -2.496 -6.483 -10.583 1.00 64.31 H new ATOM 0 HB3 LEU A 77 -2.822 -7.471 -11.993 1.00 64.31 H new ATOM 0 HG LEU A 77 -0.372 -7.772 -10.205 1.00 62.01 H new ATOM 0 HD11 LEU A 77 -1.456 -9.822 -9.337 1.00 13.45 H new ATOM 0 HD12 LEU A 77 -2.393 -8.357 -8.960 1.00 13.45 H new ATOM 0 HD13 LEU A 77 -2.918 -9.435 -10.275 1.00 13.45 H new ATOM 0 HD21 LEU A 77 -0.029 -9.926 -11.369 1.00 25.13 H new ATOM 0 HD22 LEU A 77 -1.393 -9.550 -12.449 1.00 25.13 H new ATOM 0 HD23 LEU A 77 0.071 -8.538 -12.479 1.00 25.13 H new ATOM 1259 N LEU A 78 -2.508 -3.960 -12.248 1.00 63.32 N ATOM 1260 CA LEU A 78 -3.313 -2.848 -12.804 1.00 60.22 C ATOM 1261 C LEU A 78 -2.563 -2.121 -13.930 1.00 75.14 C ATOM 1262 O LEU A 78 -3.147 -1.814 -14.958 1.00 74.11 O ATOM 1263 CB LEU A 78 -3.722 -1.836 -11.688 1.00 15.23 C ATOM 1264 CG LEU A 78 -4.657 -2.401 -10.572 1.00 71.13 C ATOM 1265 CD1 LEU A 78 -5.068 -1.308 -9.567 1.00 63.31 C ATOM 1266 CD2 LEU A 78 -5.888 -3.089 -11.181 1.00 1.34 C ATOM 0 H LEU A 78 -2.240 -3.824 -11.273 1.00 63.32 H new ATOM 0 HA LEU A 78 -4.219 -3.284 -13.224 1.00 60.22 H new ATOM 0 HB2 LEU A 78 -2.815 -1.455 -11.218 1.00 15.23 H new ATOM 0 HB3 LEU A 78 -4.219 -0.987 -12.157 1.00 15.23 H new ATOM 0 HG LEU A 78 -4.092 -3.152 -10.020 1.00 71.13 H new ATOM 0 HD11 LEU A 78 -5.718 -1.739 -8.806 1.00 63.31 H new ATOM 0 HD12 LEU A 78 -4.177 -0.896 -9.092 1.00 63.31 H new ATOM 0 HD13 LEU A 78 -5.600 -0.514 -10.091 1.00 63.31 H new ATOM 0 HD21 LEU A 78 -6.522 -3.473 -10.382 1.00 1.34 H new ATOM 0 HD22 LEU A 78 -6.450 -2.369 -11.776 1.00 1.34 H new ATOM 0 HD23 LEU A 78 -5.566 -3.913 -11.817 1.00 1.34 H new ATOM 1278 N LYS A 79 -1.258 -1.882 -13.733 1.00 50.10 N ATOM 1279 CA LYS A 79 -0.424 -1.122 -14.685 1.00 13.30 C ATOM 1280 C LYS A 79 -0.113 -1.967 -15.927 1.00 31.10 C ATOM 1281 O LYS A 79 -0.043 -1.434 -17.042 1.00 10.44 O ATOM 1282 CB LYS A 79 0.882 -0.636 -13.991 1.00 3.53 C ATOM 1283 CG LYS A 79 0.664 0.390 -12.847 1.00 12.14 C ATOM 1284 CD LYS A 79 -0.149 1.638 -13.286 1.00 14.41 C ATOM 1285 CE LYS A 79 -0.315 2.663 -12.151 1.00 34.44 C ATOM 1286 NZ LYS A 79 -1.063 2.103 -10.990 1.00 61.14 N ATOM 0 H LYS A 79 -0.749 -2.208 -12.912 1.00 50.10 H new ATOM 0 HA LYS A 79 -0.980 -0.244 -15.013 1.00 13.30 H new ATOM 0 HB2 LYS A 79 1.408 -1.502 -13.589 1.00 3.53 H new ATOM 0 HB3 LYS A 79 1.532 -0.189 -14.743 1.00 3.53 H new ATOM 0 HG2 LYS A 79 0.146 -0.100 -12.023 1.00 12.14 H new ATOM 0 HG3 LYS A 79 1.634 0.712 -12.468 1.00 12.14 H new ATOM 0 HD2 LYS A 79 0.350 2.114 -14.130 1.00 14.41 H new ATOM 0 HD3 LYS A 79 -1.133 1.323 -13.633 1.00 14.41 H new ATOM 0 HE2 LYS A 79 0.668 2.998 -11.820 1.00 34.44 H new ATOM 0 HE3 LYS A 79 -0.840 3.540 -12.530 1.00 34.44 H new ATOM 0 HZ1 LYS A 79 -1.817 2.763 -10.712 1.00 61.14 H new ATOM 0 HZ2 LYS A 79 -1.483 1.190 -11.256 1.00 61.14 H new ATOM 0 HZ3 LYS A 79 -0.411 1.965 -10.191 1.00 61.14 H new ATOM 1300 N GLY A 80 0.053 -3.287 -15.713 1.00 13.33 N ATOM 1301 CA GLY A 80 0.267 -4.251 -16.798 1.00 14.35 C ATOM 1302 C GLY A 80 -0.996 -4.456 -17.626 1.00 71.41 C ATOM 1303 O GLY A 80 -0.923 -4.607 -18.850 1.00 10.21 O ATOM 0 H GLY A 80 0.042 -3.709 -14.784 1.00 13.33 H new ATOM 0 HA2 GLY A 80 1.072 -3.900 -17.443 1.00 14.35 H new ATOM 0 HA3 GLY A 80 0.587 -5.205 -16.379 1.00 14.35 H new ATOM 1307 N LEU A 81 -2.155 -4.447 -16.934 1.00 71.53 N ATOM 1308 CA LEU A 81 -3.491 -4.573 -17.561 1.00 71.23 C ATOM 1309 C LEU A 81 -3.747 -3.336 -18.441 1.00 62.42 C ATOM 1310 O LEU A 81 -3.991 -3.453 -19.645 1.00 35.45 O ATOM 1311 CB LEU A 81 -4.586 -4.728 -16.443 1.00 32.33 C ATOM 1312 CG LEU A 81 -6.051 -5.152 -16.865 1.00 42.31 C ATOM 1313 CD1 LEU A 81 -6.873 -5.614 -15.634 1.00 12.13 C ATOM 1314 CD2 LEU A 81 -6.812 -4.031 -17.622 1.00 71.22 C ATOM 0 H LEU A 81 -2.192 -4.352 -15.919 1.00 71.53 H new ATOM 0 HA LEU A 81 -3.535 -5.460 -18.193 1.00 71.23 H new ATOM 0 HB2 LEU A 81 -4.223 -5.464 -15.725 1.00 32.33 H new ATOM 0 HB3 LEU A 81 -4.657 -3.777 -15.916 1.00 32.33 H new ATOM 0 HG LEU A 81 -5.937 -5.987 -17.556 1.00 42.31 H new ATOM 0 HD11 LEU A 81 -7.876 -5.900 -15.952 1.00 12.13 H new ATOM 0 HD12 LEU A 81 -6.382 -6.469 -15.169 1.00 12.13 H new ATOM 0 HD13 LEU A 81 -6.940 -4.798 -14.914 1.00 12.13 H new ATOM 0 HD21 LEU A 81 -7.810 -4.382 -17.885 1.00 71.22 H new ATOM 0 HD22 LEU A 81 -6.893 -3.151 -16.984 1.00 71.22 H new ATOM 0 HD23 LEU A 81 -6.268 -3.771 -18.530 1.00 71.22 H new ATOM 1326 N LEU A 82 -3.664 -2.156 -17.806 1.00 20.20 N ATOM 1327 CA LEU A 82 -3.904 -0.852 -18.446 1.00 21.03 C ATOM 1328 C LEU A 82 -2.834 -0.526 -19.509 1.00 42.41 C ATOM 1329 O LEU A 82 -3.079 0.311 -20.384 1.00 54.51 O ATOM 1330 CB LEU A 82 -3.946 0.259 -17.356 1.00 41.14 C ATOM 1331 CG LEU A 82 -5.127 0.187 -16.328 1.00 21.33 C ATOM 1332 CD1 LEU A 82 -4.898 1.150 -15.138 1.00 50.40 C ATOM 1333 CD2 LEU A 82 -6.483 0.459 -17.009 1.00 61.14 C ATOM 0 H LEU A 82 -3.424 -2.080 -16.817 1.00 20.20 H new ATOM 0 HA LEU A 82 -4.863 -0.897 -18.962 1.00 21.03 H new ATOM 0 HB2 LEU A 82 -3.008 0.228 -16.801 1.00 41.14 H new ATOM 0 HB3 LEU A 82 -3.988 1.226 -17.857 1.00 41.14 H new ATOM 0 HG LEU A 82 -5.153 -0.828 -15.933 1.00 21.33 H new ATOM 0 HD11 LEU A 82 -5.735 1.076 -14.444 1.00 50.40 H new ATOM 0 HD12 LEU A 82 -3.975 0.881 -14.624 1.00 50.40 H new ATOM 0 HD13 LEU A 82 -4.822 2.173 -15.507 1.00 50.40 H new ATOM 0 HD21 LEU A 82 -7.280 0.401 -16.268 1.00 61.14 H new ATOM 0 HD22 LEU A 82 -6.473 1.454 -17.455 1.00 61.14 H new ATOM 0 HD23 LEU A 82 -6.656 -0.285 -17.786 1.00 61.14 H new ATOM 1345 N GLN A 83 -1.644 -1.175 -19.390 1.00 25.51 N ATOM 1346 CA GLN A 83 -0.505 -1.026 -20.334 1.00 32.22 C ATOM 1347 C GLN A 83 -0.007 0.438 -20.387 1.00 32.20 C ATOM 1348 O GLN A 83 0.471 0.910 -21.427 1.00 33.41 O ATOM 1349 CB GLN A 83 -0.876 -1.550 -21.758 1.00 4.12 C ATOM 1350 CG GLN A 83 -1.223 -3.052 -21.844 1.00 34.44 C ATOM 1351 CD GLN A 83 -1.561 -3.550 -23.262 1.00 52.44 C ATOM 1352 OE1 GLN A 83 -1.312 -4.710 -23.601 1.00 23.12 O ATOM 1353 NE2 GLN A 83 -2.155 -2.698 -24.095 1.00 12.20 N ATOM 0 H GLN A 83 -1.448 -1.823 -18.627 1.00 25.51 H new ATOM 0 HA GLN A 83 0.315 -1.640 -19.960 1.00 32.22 H new ATOM 0 HB2 GLN A 83 -1.727 -0.977 -22.127 1.00 4.12 H new ATOM 0 HB3 GLN A 83 -0.041 -1.349 -22.429 1.00 4.12 H new ATOM 0 HG2 GLN A 83 -0.381 -3.629 -21.461 1.00 34.44 H new ATOM 0 HG3 GLN A 83 -2.071 -3.254 -21.190 1.00 34.44 H new ATOM 0 HE21 GLN A 83 -2.351 -1.743 -23.794 1.00 12.20 H new ATOM 0 HE22 GLN A 83 -2.414 -3.000 -25.034 1.00 12.20 H new ATOM 1362 N GLN A 84 -0.096 1.134 -19.237 1.00 62.22 N ATOM 1363 CA GLN A 84 0.265 2.562 -19.120 1.00 22.40 C ATOM 1364 C GLN A 84 1.752 2.735 -18.769 1.00 31.34 C ATOM 1365 O GLN A 84 2.481 1.757 -18.572 1.00 23.22 O ATOM 1366 CB GLN A 84 -0.643 3.268 -18.069 1.00 33.14 C ATOM 1367 CG GLN A 84 -2.155 3.274 -18.416 1.00 44.34 C ATOM 1368 CD GLN A 84 -2.559 4.127 -19.641 1.00 34.55 C ATOM 1369 OE1 GLN A 84 -1.799 4.322 -20.588 1.00 74.12 O ATOM 1370 NE2 GLN A 84 -3.780 4.631 -19.636 1.00 42.42 N ATOM 0 H GLN A 84 -0.420 0.722 -18.362 1.00 62.22 H new ATOM 0 HA GLN A 84 0.100 3.033 -20.089 1.00 22.40 H new ATOM 0 HB2 GLN A 84 -0.508 2.778 -17.105 1.00 33.14 H new ATOM 0 HB3 GLN A 84 -0.307 4.298 -17.953 1.00 33.14 H new ATOM 0 HG2 GLN A 84 -2.473 2.246 -18.592 1.00 44.34 H new ATOM 0 HG3 GLN A 84 -2.707 3.634 -17.548 1.00 44.34 H new ATOM 0 HE21 GLN A 84 -4.399 4.461 -18.843 1.00 42.42 H new ATOM 0 HE22 GLN A 84 -4.104 5.191 -20.425 1.00 42.42 H new ATOM 1379 N ARG A 85 2.193 4.002 -18.721 1.00 44.22 N ATOM 1380 CA ARG A 85 3.576 4.398 -18.371 1.00 44.01 C ATOM 1381 C ARG A 85 3.547 5.230 -17.070 1.00 20.45 C ATOM 1382 O ARG A 85 4.310 6.193 -16.921 1.00 1.55 O ATOM 1383 CB ARG A 85 4.211 5.212 -19.553 1.00 4.15 C ATOM 1384 CG ARG A 85 4.034 4.567 -20.947 1.00 62.10 C ATOM 1385 CD ARG A 85 4.620 3.144 -21.044 1.00 35.24 C ATOM 1386 NE ARG A 85 4.266 2.503 -22.323 1.00 54.24 N ATOM 1387 CZ ARG A 85 3.652 1.313 -22.464 1.00 71.33 C ATOM 1388 NH1 ARG A 85 3.311 0.586 -21.403 1.00 44.45 N ATOM 1389 NH2 ARG A 85 3.383 0.860 -23.679 1.00 32.42 N ATOM 0 H ARG A 85 1.591 4.799 -18.927 1.00 44.22 H new ATOM 0 HA ARG A 85 4.190 3.513 -18.206 1.00 44.01 H new ATOM 0 HB2 ARG A 85 3.769 6.208 -19.569 1.00 4.15 H new ATOM 0 HB3 ARG A 85 5.276 5.339 -19.358 1.00 4.15 H new ATOM 0 HG2 ARG A 85 2.972 4.532 -21.190 1.00 62.10 H new ATOM 0 HG3 ARG A 85 4.511 5.200 -21.695 1.00 62.10 H new ATOM 0 HD2 ARG A 85 5.705 3.188 -20.945 1.00 35.24 H new ATOM 0 HD3 ARG A 85 4.249 2.539 -20.217 1.00 35.24 H new ATOM 0 HE ARG A 85 4.508 3.005 -23.177 1.00 54.24 H new ATOM 0 HH11 ARG A 85 3.514 0.928 -20.464 1.00 44.45 H new ATOM 0 HH12 ARG A 85 2.846 -0.313 -21.529 1.00 44.45 H new ATOM 0 HH21 ARG A 85 3.641 1.411 -24.498 1.00 32.42 H new ATOM 0 HH22 ARG A 85 2.918 -0.040 -23.796 1.00 32.42 H new ATOM 1403 N LEU A 86 2.662 4.805 -16.128 1.00 5.20 N ATOM 1404 CA LEU A 86 2.428 5.466 -14.825 1.00 72.10 C ATOM 1405 C LEU A 86 1.772 6.847 -15.027 1.00 54.23 C ATOM 1406 O LEU A 86 2.456 7.863 -15.188 1.00 70.24 O ATOM 1407 CB LEU A 86 3.732 5.549 -13.972 1.00 15.30 C ATOM 1408 CG LEU A 86 4.348 4.173 -13.566 1.00 4.12 C ATOM 1409 CD1 LEU A 86 5.786 4.341 -13.051 1.00 73.42 C ATOM 1410 CD2 LEU A 86 3.462 3.448 -12.523 1.00 52.24 C ATOM 0 H LEU A 86 2.082 3.976 -16.261 1.00 5.20 H new ATOM 0 HA LEU A 86 1.731 4.851 -14.255 1.00 72.10 H new ATOM 0 HB2 LEU A 86 4.478 6.112 -14.532 1.00 15.30 H new ATOM 0 HB3 LEU A 86 3.519 6.116 -13.066 1.00 15.30 H new ATOM 0 HG LEU A 86 4.385 3.549 -14.459 1.00 4.12 H new ATOM 0 HD11 LEU A 86 6.190 3.367 -12.776 1.00 73.42 H new ATOM 0 HD12 LEU A 86 6.404 4.782 -13.834 1.00 73.42 H new ATOM 0 HD13 LEU A 86 5.786 4.994 -12.178 1.00 73.42 H new ATOM 0 HD21 LEU A 86 3.917 2.493 -12.260 1.00 52.24 H new ATOM 0 HD22 LEU A 86 3.373 4.066 -11.629 1.00 52.24 H new ATOM 0 HD23 LEU A 86 2.472 3.274 -12.945 1.00 52.24 H new ATOM 1422 N ASP A 87 0.429 6.842 -15.048 1.00 45.41 N ATOM 1423 CA ASP A 87 -0.388 8.048 -15.236 1.00 63.23 C ATOM 1424 C ASP A 87 -1.816 7.795 -14.722 1.00 51.11 C ATOM 1425 O ASP A 87 -2.277 8.476 -13.798 1.00 22.40 O ATOM 1426 CB ASP A 87 -0.417 8.454 -16.736 1.00 1.45 C ATOM 1427 CG ASP A 87 -1.329 9.664 -17.032 1.00 22.02 C ATOM 1428 OD1 ASP A 87 -0.892 10.817 -16.820 1.00 4.35 O ATOM 1429 OD2 ASP A 87 -2.484 9.465 -17.479 1.00 62.23 O ATOM 0 H ASP A 87 -0.123 5.992 -14.934 1.00 45.41 H new ATOM 0 HA ASP A 87 0.053 8.867 -14.667 1.00 63.23 H new ATOM 0 HB2 ASP A 87 0.597 8.686 -17.060 1.00 1.45 H new ATOM 0 HB3 ASP A 87 -0.754 7.603 -17.328 1.00 1.45 H new ATOM 1434 N GLU A 88 -2.468 6.775 -15.333 1.00 54.24 N ATOM 1435 CA GLU A 88 -3.892 6.429 -15.123 1.00 73.53 C ATOM 1436 C GLU A 88 -4.270 6.350 -13.626 1.00 42.14 C ATOM 1437 O GLU A 88 -5.212 7.001 -13.173 1.00 52.31 O ATOM 1438 CB GLU A 88 -4.197 5.074 -15.824 1.00 24.55 C ATOM 1439 CG GLU A 88 -5.697 4.711 -15.954 1.00 20.25 C ATOM 1440 CD GLU A 88 -6.443 5.556 -17.002 1.00 65.11 C ATOM 1441 OE1 GLU A 88 -6.340 5.243 -18.209 1.00 33.25 O ATOM 1442 OE2 GLU A 88 -7.129 6.531 -16.630 1.00 4.45 O ATOM 0 H GLU A 88 -2.006 6.157 -16.000 1.00 54.24 H new ATOM 0 HA GLU A 88 -4.495 7.226 -15.558 1.00 73.53 H new ATOM 0 HB2 GLU A 88 -3.759 5.095 -16.822 1.00 24.55 H new ATOM 0 HB3 GLU A 88 -3.696 4.279 -15.272 1.00 24.55 H new ATOM 0 HG2 GLU A 88 -5.786 3.657 -16.218 1.00 20.25 H new ATOM 0 HG3 GLU A 88 -6.179 4.839 -14.985 1.00 20.25 H new ATOM 1449 N LEU A 89 -3.503 5.542 -12.878 1.00 13.55 N ATOM 1450 CA LEU A 89 -3.666 5.362 -11.421 1.00 42.02 C ATOM 1451 C LEU A 89 -2.320 5.675 -10.740 1.00 61.14 C ATOM 1452 O LEU A 89 -1.784 4.861 -9.976 1.00 43.41 O ATOM 1453 CB LEU A 89 -4.158 3.909 -11.121 1.00 64.23 C ATOM 1454 CG LEU A 89 -5.516 3.485 -11.777 1.00 14.44 C ATOM 1455 CD1 LEU A 89 -5.823 1.993 -11.524 1.00 21.44 C ATOM 1456 CD2 LEU A 89 -6.682 4.393 -11.305 1.00 53.00 C ATOM 0 H LEU A 89 -2.742 4.987 -13.270 1.00 13.55 H new ATOM 0 HA LEU A 89 -4.419 6.043 -11.024 1.00 42.02 H new ATOM 0 HB2 LEU A 89 -3.387 3.212 -11.450 1.00 64.23 H new ATOM 0 HB3 LEU A 89 -4.250 3.795 -10.041 1.00 64.23 H new ATOM 0 HG LEU A 89 -5.415 3.619 -12.854 1.00 14.44 H new ATOM 0 HD11 LEU A 89 -6.772 1.732 -11.993 1.00 21.44 H new ATOM 0 HD12 LEU A 89 -5.028 1.381 -11.949 1.00 21.44 H new ATOM 0 HD13 LEU A 89 -5.886 1.811 -10.451 1.00 21.44 H new ATOM 0 HD21 LEU A 89 -7.609 4.071 -11.779 1.00 53.00 H new ATOM 0 HD22 LEU A 89 -6.784 4.320 -10.222 1.00 53.00 H new ATOM 0 HD23 LEU A 89 -6.473 5.427 -11.581 1.00 53.00 H new ATOM 1468 N SER A 90 -1.771 6.860 -11.060 1.00 4.24 N ATOM 1469 CA SER A 90 -0.447 7.309 -10.580 1.00 62.04 C ATOM 1470 C SER A 90 -0.407 8.849 -10.466 1.00 30.41 C ATOM 1471 O SER A 90 0.673 9.453 -10.358 1.00 25.15 O ATOM 1472 CB SER A 90 0.643 6.776 -11.553 1.00 43.23 C ATOM 1473 OG SER A 90 1.962 7.064 -11.111 1.00 34.43 O ATOM 0 H SER A 90 -2.235 7.540 -11.663 1.00 4.24 H new ATOM 0 HA SER A 90 -0.255 6.911 -9.584 1.00 62.04 H new ATOM 0 HB2 SER A 90 0.529 5.698 -11.664 1.00 43.23 H new ATOM 0 HB3 SER A 90 0.491 7.216 -12.539 1.00 43.23 H new ATOM 0 HG SER A 90 1.999 7.982 -10.769 1.00 34.43 H new ATOM 1479 N SER A 91 -1.608 9.470 -10.440 1.00 41.22 N ATOM 1480 CA SER A 91 -1.788 10.931 -10.426 1.00 75.11 C ATOM 1481 C SER A 91 -1.483 11.519 -9.032 1.00 53.33 C ATOM 1482 O SER A 91 -2.393 11.819 -8.244 1.00 1.40 O ATOM 1483 CB SER A 91 -3.222 11.267 -10.892 1.00 65.32 C ATOM 1484 OG SER A 91 -3.485 10.691 -12.162 1.00 1.01 O ATOM 0 H SER A 91 -2.490 8.958 -10.428 1.00 41.22 H new ATOM 0 HA SER A 91 -1.079 11.390 -11.116 1.00 75.11 H new ATOM 0 HB2 SER A 91 -3.943 10.897 -10.163 1.00 65.32 H new ATOM 0 HB3 SER A 91 -3.349 12.348 -10.944 1.00 65.32 H new ATOM 0 HG SER A 91 -4.398 10.913 -12.439 1.00 1.01 H new ATOM 1490 N LEU A 92 -0.179 11.635 -8.738 1.00 65.53 N ATOM 1491 CA LEU A 92 0.360 12.140 -7.464 1.00 41.34 C ATOM 1492 C LEU A 92 1.589 13.000 -7.764 1.00 44.24 C ATOM 1493 O LEU A 92 1.548 14.232 -7.691 1.00 73.53 O ATOM 1494 CB LEU A 92 0.723 10.954 -6.510 1.00 51.44 C ATOM 1495 CG LEU A 92 -0.483 10.150 -5.949 1.00 22.02 C ATOM 1496 CD1 LEU A 92 -0.035 8.924 -5.140 1.00 4.40 C ATOM 1497 CD2 LEU A 92 -1.396 11.067 -5.119 1.00 41.22 C ATOM 0 H LEU A 92 0.552 11.372 -9.399 1.00 65.53 H new ATOM 0 HA LEU A 92 -0.392 12.745 -6.957 1.00 41.34 H new ATOM 0 HB2 LEU A 92 1.377 10.267 -7.047 1.00 51.44 H new ATOM 0 HB3 LEU A 92 1.296 11.349 -5.671 1.00 51.44 H new ATOM 0 HG LEU A 92 -1.053 9.771 -6.797 1.00 22.02 H new ATOM 0 HD11 LEU A 92 -0.911 8.393 -4.768 1.00 4.40 H new ATOM 0 HD12 LEU A 92 0.547 8.260 -5.778 1.00 4.40 H new ATOM 0 HD13 LEU A 92 0.577 9.247 -4.298 1.00 4.40 H new ATOM 0 HD21 LEU A 92 -2.236 10.490 -4.732 1.00 41.22 H new ATOM 0 HD22 LEU A 92 -0.831 11.487 -4.287 1.00 41.22 H new ATOM 0 HD23 LEU A 92 -1.769 11.875 -5.748 1.00 41.22 H new ATOM 1509 N ILE A 93 2.682 12.307 -8.123 1.00 51.51 N ATOM 1510 CA ILE A 93 3.954 12.907 -8.552 1.00 25.31 C ATOM 1511 C ILE A 93 4.170 12.579 -10.049 1.00 72.03 C ATOM 1512 O ILE A 93 4.920 13.264 -10.752 1.00 61.34 O ATOM 1513 CB ILE A 93 5.136 12.370 -7.640 1.00 10.31 C ATOM 1514 CG1 ILE A 93 4.790 12.624 -6.126 1.00 13.14 C ATOM 1515 CG2 ILE A 93 6.498 13.015 -8.020 1.00 51.13 C ATOM 1516 CD1 ILE A 93 5.851 12.217 -5.126 1.00 10.45 C ATOM 0 H ILE A 93 2.705 11.287 -8.123 1.00 51.51 H new ATOM 0 HA ILE A 93 3.932 13.991 -8.438 1.00 25.31 H new ATOM 0 HB ILE A 93 5.240 11.298 -7.807 1.00 10.31 H new ATOM 0 HG12 ILE A 93 4.583 13.686 -5.994 1.00 13.14 H new ATOM 0 HG13 ILE A 93 3.871 12.088 -5.889 1.00 13.14 H new ATOM 0 HG21 ILE A 93 7.281 12.621 -7.372 1.00 51.13 H new ATOM 0 HG22 ILE A 93 6.734 12.781 -9.058 1.00 51.13 H new ATOM 0 HG23 ILE A 93 6.436 14.096 -7.897 1.00 51.13 H new ATOM 0 HD11 ILE A 93 5.504 12.438 -4.117 1.00 10.45 H new ATOM 0 HD12 ILE A 93 6.046 11.148 -5.217 1.00 10.45 H new ATOM 0 HD13 ILE A 93 6.769 12.771 -5.324 1.00 10.45 H new ATOM 1528 N GLY A 94 3.469 11.528 -10.532 1.00 61.35 N ATOM 1529 CA GLY A 94 3.455 11.160 -11.948 1.00 72.11 C ATOM 1530 C GLY A 94 4.353 9.969 -12.233 1.00 43.10 C ATOM 1531 O GLY A 94 3.870 8.900 -12.631 1.00 5.33 O ATOM 0 H GLY A 94 2.901 10.918 -9.944 1.00 61.35 H new ATOM 0 HA2 GLY A 94 2.435 10.926 -12.252 1.00 72.11 H new ATOM 0 HA3 GLY A 94 3.779 12.011 -12.547 1.00 72.11 H new ATOM 1535 N GLN A 95 5.667 10.149 -11.988 1.00 61.52 N ATOM 1536 CA GLN A 95 6.695 9.119 -12.270 1.00 10.44 C ATOM 1537 C GLN A 95 6.702 7.998 -11.197 1.00 50.12 C ATOM 1538 O GLN A 95 5.837 7.954 -10.305 1.00 3.42 O ATOM 1539 CB GLN A 95 8.103 9.781 -12.396 1.00 34.01 C ATOM 1540 CG GLN A 95 8.611 10.487 -11.122 1.00 2.15 C ATOM 1541 CD GLN A 95 10.072 10.937 -11.226 1.00 11.25 C ATOM 1542 OE1 GLN A 95 10.988 10.203 -10.850 1.00 33.41 O ATOM 1543 NE2 GLN A 95 10.307 12.127 -11.764 1.00 13.04 N ATOM 0 H GLN A 95 6.047 11.008 -11.591 1.00 61.52 H new ATOM 0 HA GLN A 95 6.442 8.649 -13.220 1.00 10.44 H new ATOM 0 HB2 GLN A 95 8.824 9.014 -12.679 1.00 34.01 H new ATOM 0 HB3 GLN A 95 8.074 10.507 -13.208 1.00 34.01 H new ATOM 0 HG2 GLN A 95 7.983 11.355 -10.920 1.00 2.15 H new ATOM 0 HG3 GLN A 95 8.505 9.812 -10.273 1.00 2.15 H new ATOM 0 HE21 GLN A 95 9.529 12.713 -12.066 1.00 13.04 H new ATOM 0 HE22 GLN A 95 11.266 12.456 -11.875 1.00 13.04 H new ATOM 1552 N SER A 96 7.719 7.115 -11.284 1.00 41.21 N ATOM 1553 CA SER A 96 7.856 5.919 -10.437 1.00 60.33 C ATOM 1554 C SER A 96 8.307 6.226 -8.996 1.00 74.10 C ATOM 1555 O SER A 96 8.626 5.286 -8.286 1.00 73.34 O ATOM 1556 CB SER A 96 8.848 4.936 -11.109 1.00 70.42 C ATOM 1557 OG SER A 96 10.115 5.537 -11.324 1.00 51.32 O ATOM 0 H SER A 96 8.479 7.218 -11.957 1.00 41.21 H new ATOM 0 HA SER A 96 6.865 5.473 -10.350 1.00 60.33 H new ATOM 0 HB2 SER A 96 8.966 4.052 -10.482 1.00 70.42 H new ATOM 0 HB3 SER A 96 8.438 4.599 -12.061 1.00 70.42 H new ATOM 0 HG SER A 96 10.717 4.890 -11.747 1.00 51.32 H new ATOM 1563 N THR A 97 8.299 7.521 -8.571 1.00 54.11 N ATOM 1564 CA THR A 97 8.657 7.949 -7.197 1.00 31.32 C ATOM 1565 C THR A 97 7.938 7.115 -6.115 1.00 71.34 C ATOM 1566 O THR A 97 8.549 6.714 -5.131 1.00 21.11 O ATOM 1567 CB THR A 97 8.306 9.464 -6.994 1.00 34.30 C ATOM 1568 OG1 THR A 97 9.041 10.259 -7.928 1.00 1.42 O ATOM 1569 CG2 THR A 97 8.589 9.952 -5.552 1.00 72.35 C ATOM 0 H THR A 97 8.042 8.298 -9.180 1.00 54.11 H new ATOM 0 HA THR A 97 9.730 7.791 -7.086 1.00 31.32 H new ATOM 0 HB THR A 97 7.235 9.574 -7.167 1.00 34.30 H new ATOM 0 HG1 THR A 97 8.944 11.207 -7.699 1.00 1.42 H new ATOM 0 HG21 THR A 97 8.328 11.007 -5.467 1.00 72.35 H new ATOM 0 HG22 THR A 97 7.991 9.373 -4.848 1.00 72.35 H new ATOM 0 HG23 THR A 97 9.647 9.820 -5.324 1.00 72.35 H new ATOM 1577 N ARG A 98 6.644 6.851 -6.353 1.00 33.43 N ATOM 1578 CA ARG A 98 5.761 6.132 -5.415 1.00 41.52 C ATOM 1579 C ARG A 98 6.204 4.662 -5.309 1.00 24.21 C ATOM 1580 O ARG A 98 6.477 4.161 -4.222 1.00 14.05 O ATOM 1581 CB ARG A 98 4.300 6.191 -5.926 1.00 73.45 C ATOM 1582 CG ARG A 98 3.828 7.575 -6.436 1.00 31.52 C ATOM 1583 CD ARG A 98 2.477 7.487 -7.172 1.00 13.14 C ATOM 1584 NE ARG A 98 2.517 6.582 -8.337 1.00 62.42 N ATOM 1585 CZ ARG A 98 2.080 5.305 -8.354 1.00 32.43 C ATOM 1586 NH1 ARG A 98 1.554 4.747 -7.267 1.00 24.02 N ATOM 1587 NH2 ARG A 98 2.186 4.594 -9.461 1.00 63.13 N ATOM 0 H ARG A 98 6.173 7.134 -7.213 1.00 33.43 H new ATOM 0 HA ARG A 98 5.823 6.602 -4.434 1.00 41.52 H new ATOM 0 HB2 ARG A 98 4.186 5.468 -6.733 1.00 73.45 H new ATOM 0 HB3 ARG A 98 3.638 5.875 -5.119 1.00 73.45 H new ATOM 0 HG2 ARG A 98 3.738 8.261 -5.594 1.00 31.52 H new ATOM 0 HG3 ARG A 98 4.580 7.990 -7.107 1.00 31.52 H new ATOM 0 HD2 ARG A 98 1.712 7.143 -6.477 1.00 13.14 H new ATOM 0 HD3 ARG A 98 2.183 8.483 -7.502 1.00 13.14 H new ATOM 0 HE ARG A 98 2.908 6.953 -9.203 1.00 62.42 H new ATOM 0 HH11 ARG A 98 1.476 5.285 -6.404 1.00 24.02 H new ATOM 0 HH12 ARG A 98 1.228 3.781 -7.296 1.00 24.02 H new ATOM 0 HH21 ARG A 98 2.596 5.010 -10.297 1.00 63.13 H new ATOM 0 HH22 ARG A 98 1.858 3.628 -9.480 1.00 63.13 H new ATOM 1601 N GLN A 99 6.303 4.012 -6.484 1.00 61.04 N ATOM 1602 CA GLN A 99 6.673 2.589 -6.627 1.00 65.23 C ATOM 1603 C GLN A 99 8.100 2.339 -6.080 1.00 55.13 C ATOM 1604 O GLN A 99 8.378 1.307 -5.454 1.00 21.43 O ATOM 1605 CB GLN A 99 6.563 2.213 -8.136 1.00 70.22 C ATOM 1606 CG GLN A 99 6.779 0.725 -8.495 1.00 54.00 C ATOM 1607 CD GLN A 99 5.802 -0.222 -7.792 1.00 11.02 C ATOM 1608 OE1 GLN A 99 6.115 -0.794 -6.750 1.00 21.30 O ATOM 1609 NE2 GLN A 99 4.596 -0.358 -8.333 1.00 33.01 N ATOM 0 H GLN A 99 6.125 4.469 -7.378 1.00 61.04 H new ATOM 0 HA GLN A 99 5.999 1.960 -6.046 1.00 65.23 H new ATOM 0 HB2 GLN A 99 5.576 2.509 -8.490 1.00 70.22 H new ATOM 0 HB3 GLN A 99 7.291 2.806 -8.689 1.00 70.22 H new ATOM 0 HG2 GLN A 99 6.679 0.602 -9.573 1.00 54.00 H new ATOM 0 HG3 GLN A 99 7.799 0.441 -8.234 1.00 54.00 H new ATOM 0 HE21 GLN A 99 4.367 0.130 -9.199 1.00 33.01 H new ATOM 0 HE22 GLN A 99 3.899 -0.951 -7.882 1.00 33.01 H new ATOM 1618 N LYS A 100 8.963 3.350 -6.283 1.00 73.44 N ATOM 1619 CA LYS A 100 10.370 3.349 -5.850 1.00 4.33 C ATOM 1620 C LYS A 100 10.423 3.517 -4.319 1.00 34.41 C ATOM 1621 O LYS A 100 11.230 2.880 -3.657 1.00 64.32 O ATOM 1622 CB LYS A 100 11.165 4.517 -6.563 1.00 70.30 C ATOM 1623 CG LYS A 100 12.572 4.161 -7.098 1.00 41.25 C ATOM 1624 CD LYS A 100 13.528 3.615 -6.012 1.00 55.53 C ATOM 1625 CE LYS A 100 14.908 3.250 -6.574 1.00 51.13 C ATOM 1626 NZ LYS A 100 14.821 2.281 -7.700 1.00 11.03 N ATOM 0 H LYS A 100 8.695 4.209 -6.763 1.00 73.44 H new ATOM 0 HA LYS A 100 10.837 2.404 -6.127 1.00 4.33 H new ATOM 0 HB2 LYS A 100 10.564 4.881 -7.396 1.00 70.30 H new ATOM 0 HB3 LYS A 100 11.266 5.342 -5.858 1.00 70.30 H new ATOM 0 HG2 LYS A 100 12.473 3.418 -7.890 1.00 41.25 H new ATOM 0 HG3 LYS A 100 13.016 5.049 -7.548 1.00 41.25 H new ATOM 0 HD2 LYS A 100 13.645 4.362 -5.227 1.00 55.53 H new ATOM 0 HD3 LYS A 100 13.083 2.734 -5.550 1.00 55.53 H new ATOM 0 HE2 LYS A 100 15.410 4.155 -6.915 1.00 51.13 H new ATOM 0 HE3 LYS A 100 15.521 2.826 -5.779 1.00 51.13 H new ATOM 0 HZ1 LYS A 100 15.769 1.910 -7.913 1.00 11.03 H new ATOM 0 HZ2 LYS A 100 14.193 1.496 -7.434 1.00 11.03 H new ATOM 0 HZ3 LYS A 100 14.440 2.759 -8.541 1.00 11.03 H new ATOM 1640 N SER A 101 9.533 4.384 -3.787 1.00 11.02 N ATOM 1641 CA SER A 101 9.481 4.738 -2.359 1.00 75.21 C ATOM 1642 C SER A 101 8.994 3.567 -1.507 1.00 55.32 C ATOM 1643 O SER A 101 9.474 3.378 -0.392 1.00 53.35 O ATOM 1644 CB SER A 101 8.555 5.959 -2.139 1.00 1.24 C ATOM 1645 OG SER A 101 8.501 6.344 -0.772 1.00 70.33 O ATOM 0 H SER A 101 8.825 4.860 -4.346 1.00 11.02 H new ATOM 0 HA SER A 101 10.495 4.989 -2.048 1.00 75.21 H new ATOM 0 HB2 SER A 101 8.911 6.797 -2.738 1.00 1.24 H new ATOM 0 HB3 SER A 101 7.551 5.721 -2.489 1.00 1.24 H new ATOM 0 HG SER A 101 7.600 6.665 -0.558 1.00 70.33 H new ATOM 1651 N LEU A 102 8.014 2.808 -2.034 1.00 22.41 N ATOM 1652 CA LEU A 102 7.436 1.648 -1.337 1.00 62.45 C ATOM 1653 C LEU A 102 8.340 0.411 -1.499 1.00 54.25 C ATOM 1654 O LEU A 102 8.419 -0.412 -0.587 1.00 13.43 O ATOM 1655 CB LEU A 102 5.976 1.364 -1.813 1.00 21.04 C ATOM 1656 CG LEU A 102 4.827 2.241 -1.184 1.00 2.54 C ATOM 1657 CD1 LEU A 102 4.978 3.742 -1.487 1.00 52.51 C ATOM 1658 CD2 LEU A 102 3.429 1.724 -1.609 1.00 41.40 C ATOM 0 H LEU A 102 7.604 2.983 -2.951 1.00 22.41 H new ATOM 0 HA LEU A 102 7.382 1.884 -0.274 1.00 62.45 H new ATOM 0 HB2 LEU A 102 5.943 1.491 -2.895 1.00 21.04 H new ATOM 0 HB3 LEU A 102 5.752 0.317 -1.608 1.00 21.04 H new ATOM 0 HG LEU A 102 4.920 2.135 -0.103 1.00 2.54 H new ATOM 0 HD11 LEU A 102 4.156 4.291 -1.027 1.00 52.51 H new ATOM 0 HD12 LEU A 102 5.925 4.101 -1.084 1.00 52.51 H new ATOM 0 HD13 LEU A 102 4.960 3.899 -2.565 1.00 52.51 H new ATOM 0 HD21 LEU A 102 2.658 2.349 -1.159 1.00 41.40 H new ATOM 0 HD22 LEU A 102 3.341 1.764 -2.695 1.00 41.40 H new ATOM 0 HD23 LEU A 102 3.304 0.695 -1.272 1.00 41.40 H new ATOM 1670 N ASN A 103 9.033 0.289 -2.653 1.00 22.15 N ATOM 1671 CA ASN A 103 10.048 -0.778 -2.848 1.00 32.14 C ATOM 1672 C ASN A 103 11.272 -0.515 -1.939 1.00 62.15 C ATOM 1673 O ASN A 103 11.865 -1.455 -1.373 1.00 42.43 O ATOM 1674 CB ASN A 103 10.480 -0.872 -4.335 1.00 31.22 C ATOM 1675 CG ASN A 103 11.436 -2.046 -4.604 1.00 24.13 C ATOM 1676 OD1 ASN A 103 12.657 -1.914 -4.496 1.00 20.25 O ATOM 1677 ND2 ASN A 103 10.896 -3.201 -4.953 1.00 31.24 N ATOM 0 H ASN A 103 8.913 0.906 -3.456 1.00 22.15 H new ATOM 0 HA ASN A 103 9.602 -1.733 -2.571 1.00 32.14 H new ATOM 0 HB2 ASN A 103 9.594 -0.980 -4.960 1.00 31.22 H new ATOM 0 HB3 ASN A 103 10.964 0.060 -4.628 1.00 31.22 H new ATOM 0 HD21 ASN A 103 11.492 -4.007 -5.139 1.00 31.24 H new ATOM 0 HD22 ASN A 103 9.883 -3.286 -5.036 1.00 31.24 H new ATOM 1684 N ASN A 104 11.623 0.787 -1.792 1.00 11.44 N ATOM 1685 CA ASN A 104 12.688 1.239 -0.877 1.00 74.33 C ATOM 1686 C ASN A 104 12.254 0.962 0.557 1.00 51.13 C ATOM 1687 O ASN A 104 13.017 0.403 1.341 1.00 43.22 O ATOM 1688 CB ASN A 104 13.022 2.747 -1.062 1.00 42.20 C ATOM 1689 CG ASN A 104 14.166 3.213 -0.144 1.00 21.31 C ATOM 1690 OD1 ASN A 104 13.940 3.693 0.968 1.00 71.41 O ATOM 1691 ND2 ASN A 104 15.404 3.052 -0.584 1.00 73.10 N ATOM 0 H ASN A 104 11.175 1.546 -2.305 1.00 11.44 H new ATOM 0 HA ASN A 104 13.598 0.686 -1.109 1.00 74.33 H new ATOM 0 HB2 ASN A 104 13.296 2.931 -2.101 1.00 42.20 H new ATOM 0 HB3 ASN A 104 12.131 3.341 -0.858 1.00 42.20 H new ATOM 0 HD21 ASN A 104 16.193 3.327 0.001 1.00 73.10 H new ATOM 0 HD22 ASN A 104 15.569 2.653 -1.508 1.00 73.10 H new ATOM 1698 N ALA A 105 10.985 1.300 0.852 1.00 51.41 N ATOM 1699 CA ALA A 105 10.371 1.077 2.162 1.00 3.33 C ATOM 1700 C ALA A 105 10.445 -0.402 2.558 1.00 32.11 C ATOM 1701 O ALA A 105 10.790 -0.711 3.689 1.00 75.43 O ATOM 1702 CB ALA A 105 8.915 1.565 2.172 1.00 15.42 C ATOM 0 H ALA A 105 10.357 1.739 0.178 1.00 51.41 H new ATOM 0 HA ALA A 105 10.932 1.654 2.897 1.00 3.33 H new ATOM 0 HB1 ALA A 105 8.479 1.389 3.155 1.00 15.42 H new ATOM 0 HB2 ALA A 105 8.887 2.631 1.948 1.00 15.42 H new ATOM 0 HB3 ALA A 105 8.344 1.021 1.419 1.00 15.42 H new ATOM 1708 N TYR A 106 10.184 -1.300 1.582 1.00 31.44 N ATOM 1709 CA TYR A 106 10.142 -2.752 1.810 1.00 54.10 C ATOM 1710 C TYR A 106 11.549 -3.301 2.143 1.00 4.45 C ATOM 1711 O TYR A 106 11.759 -3.889 3.215 1.00 11.21 O ATOM 1712 CB TYR A 106 9.582 -3.462 0.539 1.00 72.41 C ATOM 1713 CG TYR A 106 9.290 -4.965 0.722 1.00 21.32 C ATOM 1714 CD1 TYR A 106 10.321 -5.918 0.795 1.00 32.35 C ATOM 1715 CD2 TYR A 106 7.990 -5.438 0.836 1.00 14.15 C ATOM 1716 CE1 TYR A 106 10.057 -7.258 0.977 1.00 43.12 C ATOM 1717 CE2 TYR A 106 7.736 -6.778 1.014 1.00 73.23 C ATOM 1718 CZ TYR A 106 8.759 -7.676 1.087 1.00 50.53 C ATOM 1719 OH TYR A 106 8.478 -9.008 1.278 1.00 72.31 O ATOM 0 H TYR A 106 9.997 -1.033 0.615 1.00 31.44 H new ATOM 0 HA TYR A 106 9.489 -2.952 2.660 1.00 54.10 H new ATOM 0 HB2 TYR A 106 8.663 -2.961 0.234 1.00 72.41 H new ATOM 0 HB3 TYR A 106 10.297 -3.340 -0.274 1.00 72.41 H new ATOM 0 HD1 TYR A 106 11.347 -5.591 0.706 1.00 32.35 H new ATOM 0 HD2 TYR A 106 7.165 -4.743 0.784 1.00 14.15 H new ATOM 0 HE1 TYR A 106 10.866 -7.971 1.032 1.00 43.12 H new ATOM 0 HE2 TYR A 106 6.716 -7.122 1.097 1.00 73.23 H new ATOM 0 HH TYR A 106 7.508 -9.133 1.336 1.00 72.31 H new ATOM 1729 N GLY A 107 12.502 -3.084 1.208 1.00 14.44 N ATOM 1730 CA GLY A 107 13.849 -3.667 1.307 1.00 22.02 C ATOM 1731 C GLY A 107 14.628 -3.127 2.494 1.00 53.44 C ATOM 1732 O GLY A 107 15.359 -3.860 3.172 1.00 1.25 O ATOM 0 H GLY A 107 12.358 -2.509 0.378 1.00 14.44 H new ATOM 0 HA2 GLY A 107 13.768 -4.751 1.392 1.00 22.02 H new ATOM 0 HA3 GLY A 107 14.400 -3.460 0.390 1.00 22.02 H new ATOM 1736 N ARG A 108 14.429 -1.834 2.760 1.00 64.00 N ATOM 1737 CA ARG A 108 15.076 -1.127 3.869 1.00 33.35 C ATOM 1738 C ARG A 108 14.346 -1.410 5.193 1.00 52.52 C ATOM 1739 O ARG A 108 14.947 -1.254 6.252 1.00 2.35 O ATOM 1740 CB ARG A 108 15.156 0.396 3.552 1.00 73.14 C ATOM 1741 CG ARG A 108 16.367 0.845 2.674 1.00 53.33 C ATOM 1742 CD ARG A 108 16.780 -0.116 1.537 1.00 25.34 C ATOM 1743 NE ARG A 108 15.733 -0.300 0.513 1.00 23.41 N ATOM 1744 CZ ARG A 108 15.837 -1.124 -0.557 1.00 31.23 C ATOM 1745 NH1 ARG A 108 16.931 -1.846 -0.758 1.00 54.11 N ATOM 1746 NH2 ARG A 108 14.815 -1.274 -1.393 1.00 25.31 N ATOM 0 H ARG A 108 13.809 -1.243 2.207 1.00 64.00 H new ATOM 0 HA ARG A 108 16.096 -1.494 3.986 1.00 33.35 H new ATOM 0 HB2 ARG A 108 14.236 0.692 3.047 1.00 73.14 H new ATOM 0 HB3 ARG A 108 15.192 0.943 4.494 1.00 73.14 H new ATOM 0 HG2 ARG A 108 16.131 1.814 2.234 1.00 53.33 H new ATOM 0 HG3 ARG A 108 17.227 0.993 3.327 1.00 53.33 H new ATOM 0 HD2 ARG A 108 17.682 0.266 1.059 1.00 25.34 H new ATOM 0 HD3 ARG A 108 17.033 -1.086 1.965 1.00 25.34 H new ATOM 0 HE ARG A 108 14.869 0.232 0.619 1.00 23.41 H new ATOM 0 HH11 ARG A 108 17.710 -1.786 -0.102 1.00 54.11 H new ATOM 0 HH12 ARG A 108 16.994 -2.462 -1.569 1.00 54.11 H new ATOM 0 HH21 ARG A 108 13.945 -0.767 -1.231 1.00 25.31 H new ATOM 0 HH22 ARG A 108 14.901 -1.896 -2.197 1.00 25.31 H new ATOM 1760 N LEU A 109 13.045 -1.810 5.145 1.00 50.02 N ATOM 1761 CA LEU A 109 12.315 -2.306 6.356 1.00 60.20 C ATOM 1762 C LEU A 109 12.915 -3.633 6.805 1.00 33.43 C ATOM 1763 O LEU A 109 13.032 -3.915 8.005 1.00 14.31 O ATOM 1764 CB LEU A 109 10.792 -2.466 6.096 1.00 73.55 C ATOM 1765 CG LEU A 109 9.907 -2.835 7.331 1.00 32.01 C ATOM 1766 CD1 LEU A 109 9.918 -1.714 8.400 1.00 43.41 C ATOM 1767 CD2 LEU A 109 8.472 -3.185 6.891 1.00 51.31 C ATOM 0 H LEU A 109 12.482 -1.801 4.294 1.00 50.02 H new ATOM 0 HA LEU A 109 12.430 -1.562 7.144 1.00 60.20 H new ATOM 0 HB2 LEU A 109 10.418 -1.533 5.675 1.00 73.55 H new ATOM 0 HB3 LEU A 109 10.655 -3.235 5.336 1.00 73.55 H new ATOM 0 HG LEU A 109 10.340 -3.720 7.797 1.00 32.01 H new ATOM 0 HD11 LEU A 109 9.292 -2.008 9.242 1.00 43.41 H new ATOM 0 HD12 LEU A 109 10.939 -1.551 8.746 1.00 43.41 H new ATOM 0 HD13 LEU A 109 9.531 -0.792 7.965 1.00 43.41 H new ATOM 0 HD21 LEU A 109 7.875 -3.438 7.767 1.00 51.31 H new ATOM 0 HD22 LEU A 109 8.028 -2.328 6.384 1.00 51.31 H new ATOM 0 HD23 LEU A 109 8.497 -4.036 6.211 1.00 51.31 H new ATOM 1779 N SER A 110 13.295 -4.434 5.805 1.00 1.01 N ATOM 1780 CA SER A 110 14.012 -5.681 6.005 1.00 51.44 C ATOM 1781 C SER A 110 15.464 -5.398 6.469 1.00 3.32 C ATOM 1782 O SER A 110 15.990 -6.140 7.302 1.00 42.31 O ATOM 1783 CB SER A 110 13.970 -6.509 4.694 1.00 51.23 C ATOM 1784 OG SER A 110 14.557 -7.787 4.851 1.00 51.23 O ATOM 0 H SER A 110 13.107 -4.225 4.824 1.00 1.01 H new ATOM 0 HA SER A 110 13.534 -6.265 6.791 1.00 51.44 H new ATOM 0 HB2 SER A 110 12.935 -6.623 4.371 1.00 51.23 H new ATOM 0 HB3 SER A 110 14.491 -5.966 3.906 1.00 51.23 H new ATOM 0 HG SER A 110 14.508 -8.276 4.003 1.00 51.23 H new ATOM 1790 N GLY A 111 16.105 -4.305 5.945 1.00 23.11 N ATOM 1791 CA GLY A 111 17.514 -4.021 6.285 1.00 53.22 C ATOM 1792 C GLY A 111 17.738 -3.122 7.519 1.00 70.54 C ATOM 1793 O GLY A 111 18.219 -3.617 8.541 1.00 20.33 O ATOM 0 H GLY A 111 15.674 -3.635 5.308 1.00 23.11 H new ATOM 0 HA2 GLY A 111 18.026 -4.969 6.451 1.00 53.22 H new ATOM 0 HA3 GLY A 111 17.988 -3.549 5.424 1.00 53.22 H new ATOM 1797 N MET A 112 17.372 -1.810 7.454 1.00 42.43 N ATOM 1798 CA MET A 112 17.604 -0.855 8.585 1.00 64.15 C ATOM 1799 C MET A 112 16.341 -0.722 9.469 1.00 61.42 C ATOM 1800 O MET A 112 16.361 -1.097 10.644 1.00 53.44 O ATOM 1801 CB MET A 112 18.038 0.549 8.035 1.00 15.42 C ATOM 1802 CG MET A 112 18.857 1.420 9.018 1.00 64.23 C ATOM 1803 SD MET A 112 17.991 1.851 10.550 1.00 24.25 S ATOM 1804 CE MET A 112 16.690 2.951 9.984 1.00 24.42 C ATOM 0 H MET A 112 16.920 -1.390 6.642 1.00 42.43 H new ATOM 0 HA MET A 112 18.408 -1.253 9.204 1.00 64.15 H new ATOM 0 HB2 MET A 112 18.627 0.400 7.130 1.00 15.42 H new ATOM 0 HB3 MET A 112 17.143 1.100 7.746 1.00 15.42 H new ATOM 0 HG2 MET A 112 19.775 0.891 9.272 1.00 64.23 H new ATOM 0 HG3 MET A 112 19.149 2.340 8.511 1.00 64.23 H new ATOM 0 HE1 MET A 112 16.139 3.335 10.843 1.00 24.42 H new ATOM 0 HE2 MET A 112 17.130 3.783 9.434 1.00 24.42 H new ATOM 0 HE3 MET A 112 16.009 2.404 9.331 1.00 24.42 H new ATOM 1814 N LEU A 113 15.260 -0.205 8.822 1.00 54.50 N ATOM 1815 CA LEU A 113 13.892 0.047 9.367 1.00 3.12 C ATOM 1816 C LEU A 113 13.235 1.123 8.473 1.00 3.54 C ATOM 1817 O LEU A 113 13.104 2.290 8.859 1.00 63.42 O ATOM 1818 CB LEU A 113 13.818 0.476 10.893 1.00 32.12 C ATOM 1819 CG LEU A 113 13.397 -0.647 11.905 1.00 4.15 C ATOM 1820 CD1 LEU A 113 13.354 -0.114 13.355 1.00 23.44 C ATOM 1821 CD2 LEU A 113 12.045 -1.280 11.495 1.00 21.10 C ATOM 0 H LEU A 113 15.323 0.065 7.841 1.00 54.50 H new ATOM 0 HA LEU A 113 13.362 -0.905 9.345 1.00 3.12 H new ATOM 0 HB2 LEU A 113 14.795 0.857 11.190 1.00 32.12 H new ATOM 0 HB3 LEU A 113 13.112 1.302 10.984 1.00 32.12 H new ATOM 0 HG LEU A 113 14.156 -1.429 11.871 1.00 4.15 H new ATOM 0 HD11 LEU A 113 13.059 -0.918 14.030 1.00 23.44 H new ATOM 0 HD12 LEU A 113 14.341 0.253 13.637 1.00 23.44 H new ATOM 0 HD13 LEU A 113 12.632 0.700 13.422 1.00 23.44 H new ATOM 0 HD21 LEU A 113 11.774 -2.056 12.211 1.00 21.10 H new ATOM 0 HD22 LEU A 113 11.272 -0.511 11.483 1.00 21.10 H new ATOM 0 HD23 LEU A 113 12.135 -1.719 10.502 1.00 21.10 H new ATOM 1833 N LEU A 114 12.998 0.713 7.219 1.00 42.44 N ATOM 1834 CA LEU A 114 12.222 1.430 6.178 1.00 43.22 C ATOM 1835 C LEU A 114 13.039 2.557 5.492 1.00 42.14 C ATOM 1836 O LEU A 114 12.846 2.829 4.299 1.00 72.31 O ATOM 1837 CB LEU A 114 10.842 1.905 6.738 1.00 2.55 C ATOM 1838 CG LEU A 114 9.747 2.363 5.710 1.00 22.25 C ATOM 1839 CD1 LEU A 114 8.328 2.068 6.242 1.00 71.22 C ATOM 1840 CD2 LEU A 114 9.882 3.863 5.319 1.00 2.20 C ATOM 0 H LEU A 114 13.360 -0.177 6.877 1.00 42.44 H new ATOM 0 HA LEU A 114 12.006 0.722 5.378 1.00 43.22 H new ATOM 0 HB2 LEU A 114 10.424 1.091 7.330 1.00 2.55 H new ATOM 0 HB3 LEU A 114 11.026 2.734 7.421 1.00 2.55 H new ATOM 0 HG LEU A 114 9.911 1.780 4.804 1.00 22.25 H new ATOM 0 HD11 LEU A 114 7.590 2.395 5.510 1.00 71.22 H new ATOM 0 HD12 LEU A 114 8.219 0.997 6.413 1.00 71.22 H new ATOM 0 HD13 LEU A 114 8.172 2.603 7.179 1.00 71.22 H new ATOM 0 HD21 LEU A 114 9.100 4.125 4.606 1.00 2.20 H new ATOM 0 HD22 LEU A 114 9.783 4.482 6.211 1.00 2.20 H new ATOM 0 HD23 LEU A 114 10.858 4.034 4.866 1.00 2.20 H new ATOM 1852 N VAL A 115 13.996 3.154 6.222 1.00 43.24 N ATOM 1853 CA VAL A 115 14.751 4.338 5.762 1.00 43.01 C ATOM 1854 C VAL A 115 16.277 4.066 5.797 1.00 62.54 C ATOM 1855 O VAL A 115 16.794 3.556 6.798 1.00 24.40 O ATOM 1856 CB VAL A 115 14.371 5.622 6.607 1.00 34.53 C ATOM 1857 CG1 VAL A 115 12.915 6.058 6.316 1.00 63.12 C ATOM 1858 CG2 VAL A 115 14.583 5.411 8.133 1.00 70.11 C ATOM 0 H VAL A 115 14.270 2.831 7.150 1.00 43.24 H new ATOM 0 HA VAL A 115 14.473 4.536 4.727 1.00 43.01 H new ATOM 0 HB VAL A 115 15.047 6.418 6.296 1.00 34.53 H new ATOM 0 HG11 VAL A 115 12.675 6.942 6.907 1.00 63.12 H new ATOM 0 HG12 VAL A 115 12.810 6.290 5.256 1.00 63.12 H new ATOM 0 HG13 VAL A 115 12.233 5.249 6.579 1.00 63.12 H new ATOM 0 HG21 VAL A 115 14.308 6.320 8.668 1.00 70.11 H new ATOM 0 HG22 VAL A 115 13.959 4.586 8.476 1.00 70.11 H new ATOM 0 HG23 VAL A 115 15.630 5.179 8.326 1.00 70.11 H new ATOM 1868 N PRO A 116 17.008 4.317 4.660 1.00 0.33 N ATOM 1869 CA PRO A 116 18.485 4.239 4.600 1.00 71.12 C ATOM 1870 C PRO A 116 19.161 5.629 4.733 1.00 63.21 C ATOM 1871 O PRO A 116 18.506 6.634 5.022 1.00 11.21 O ATOM 1872 CB PRO A 116 18.681 3.673 3.177 1.00 24.43 C ATOM 1873 CG PRO A 116 17.620 4.368 2.358 1.00 72.44 C ATOM 1874 CD PRO A 116 16.455 4.649 3.309 1.00 30.04 C ATOM 0 HA PRO A 116 18.925 3.650 5.405 1.00 71.12 H new ATOM 0 HB2 PRO A 116 19.681 3.885 2.797 1.00 24.43 H new ATOM 0 HB3 PRO A 116 18.555 2.590 3.157 1.00 24.43 H new ATOM 0 HG2 PRO A 116 18.004 5.294 1.930 1.00 72.44 H new ATOM 0 HG3 PRO A 116 17.299 3.741 1.526 1.00 72.44 H new ATOM 0 HD2 PRO A 116 16.135 5.689 3.253 1.00 30.04 H new ATOM 0 HD3 PRO A 116 15.587 4.035 3.070 1.00 30.04 H new ATOM 1882 N ASP A 117 20.484 5.643 4.556 1.00 64.34 N ATOM 1883 CA ASP A 117 21.267 6.875 4.268 1.00 25.14 C ATOM 1884 C ASP A 117 21.559 6.913 2.762 1.00 14.53 C ATOM 1885 O ASP A 117 21.513 7.969 2.119 1.00 31.41 O ATOM 1886 CB ASP A 117 22.592 6.896 5.076 1.00 34.44 C ATOM 1887 CG ASP A 117 22.362 6.945 6.593 1.00 72.51 C ATOM 1888 OD1 ASP A 117 22.429 8.046 7.190 1.00 15.13 O ATOM 1889 OD2 ASP A 117 22.100 5.882 7.198 1.00 24.44 O ATOM 0 H ASP A 117 21.058 4.801 4.606 1.00 64.34 H new ATOM 0 HA ASP A 117 20.692 7.752 4.565 1.00 25.14 H new ATOM 0 HB2 ASP A 117 23.176 6.009 4.830 1.00 34.44 H new ATOM 0 HB3 ASP A 117 23.183 7.761 4.774 1.00 34.44 H new ATOM 1894 N ALA A 118 21.834 5.718 2.225 1.00 55.43 N ATOM 1895 CA ALA A 118 22.069 5.470 0.801 1.00 43.11 C ATOM 1896 C ALA A 118 21.754 3.983 0.508 1.00 45.52 C ATOM 1897 O ALA A 118 21.952 3.133 1.393 1.00 31.13 O ATOM 1898 CB ALA A 118 23.525 5.814 0.427 1.00 65.50 C ATOM 0 H ALA A 118 21.901 4.871 2.790 1.00 55.43 H new ATOM 0 HA ALA A 118 21.421 6.105 0.197 1.00 43.11 H new ATOM 0 HB1 ALA A 118 23.683 5.624 -0.635 1.00 65.50 H new ATOM 0 HB2 ALA A 118 23.716 6.866 0.640 1.00 65.50 H new ATOM 0 HB3 ALA A 118 24.207 5.196 1.011 1.00 65.50 H new ATOM 1904 N PRO A 119 21.222 3.639 -0.710 1.00 42.51 N ATOM 1905 CA PRO A 119 21.016 2.225 -1.126 1.00 3.05 C ATOM 1906 C PRO A 119 22.355 1.443 -1.143 1.00 24.24 C ATOM 1907 O PRO A 119 23.383 1.974 -1.589 1.00 31.24 O ATOM 1908 CB PRO A 119 20.386 2.345 -2.544 1.00 1.40 C ATOM 1909 CG PRO A 119 20.734 3.732 -3.007 1.00 20.32 C ATOM 1910 CD PRO A 119 20.750 4.584 -1.759 1.00 52.13 C ATOM 0 HA PRO A 119 20.379 1.667 -0.440 1.00 3.05 H new ATOM 0 HB2 PRO A 119 20.788 1.590 -3.220 1.00 1.40 H new ATOM 0 HB3 PRO A 119 19.306 2.199 -2.510 1.00 1.40 H new ATOM 0 HG2 PRO A 119 21.704 3.747 -3.505 1.00 20.32 H new ATOM 0 HG3 PRO A 119 20.001 4.101 -3.725 1.00 20.32 H new ATOM 0 HD2 PRO A 119 21.419 5.438 -1.863 1.00 52.13 H new ATOM 0 HD3 PRO A 119 19.761 4.980 -1.529 1.00 52.13 H new ATOM 1918 N GLY A 120 22.323 0.200 -0.631 1.00 22.13 N ATOM 1919 CA GLY A 120 23.524 -0.628 -0.457 1.00 52.41 C ATOM 1920 C GLY A 120 24.110 -1.128 -1.775 1.00 1.44 C ATOM 1921 O GLY A 120 23.371 -1.581 -2.655 1.00 33.34 O ATOM 0 H GLY A 120 21.463 -0.256 -0.327 1.00 22.13 H new ATOM 0 HA2 GLY A 120 24.281 -0.050 0.073 1.00 52.41 H new ATOM 0 HA3 GLY A 120 23.278 -1.484 0.171 1.00 52.41 H new ATOM 1925 N ALA A 121 25.443 -1.037 -1.905 1.00 1.34 N ATOM 1926 CA ALA A 121 26.202 -1.495 -3.089 1.00 64.14 C ATOM 1927 C ALA A 121 27.018 -2.757 -2.762 1.00 2.43 C ATOM 1928 O ALA A 121 26.996 -3.248 -1.625 1.00 31.12 O ATOM 1929 CB ALA A 121 27.124 -0.364 -3.589 1.00 1.01 C ATOM 0 H ALA A 121 26.038 -0.637 -1.180 1.00 1.34 H new ATOM 0 HA ALA A 121 25.496 -1.750 -3.879 1.00 64.14 H new ATOM 0 HB1 ALA A 121 27.681 -0.707 -4.461 1.00 1.01 H new ATOM 0 HB2 ALA A 121 26.522 0.503 -3.861 1.00 1.01 H new ATOM 0 HB3 ALA A 121 27.822 -0.088 -2.799 1.00 1.01 H new ATOM 1935 N SER A 122 27.714 -3.275 -3.781 1.00 34.55 N ATOM 1936 CA SER A 122 28.665 -4.384 -3.651 1.00 54.14 C ATOM 1937 C SER A 122 29.689 -4.285 -4.810 1.00 1.32 C ATOM 1938 O SER A 122 29.456 -4.866 -5.891 1.00 43.12 O ATOM 1939 CB SER A 122 27.909 -5.751 -3.626 1.00 24.03 C ATOM 1940 OG SER A 122 28.809 -6.849 -3.599 1.00 4.33 O ATOM 1941 OXT SER A 122 30.709 -3.575 -4.651 1.00 38.02 O ATOM 0 H SER A 122 27.630 -2.928 -4.737 1.00 34.55 H new ATOM 0 HA SER A 122 29.207 -4.321 -2.708 1.00 54.14 H new ATOM 0 HB2 SER A 122 27.259 -5.792 -2.752 1.00 24.03 H new ATOM 0 HB3 SER A 122 27.267 -5.828 -4.504 1.00 24.03 H new ATOM 0 HG SER A 122 28.302 -7.687 -3.582 1.00 4.33 H new TER 1947 SER A 122