USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 578 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 11 MET CE :methyl 169:sc= -0.194 (180deg=-0.523) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.523 K(o=-0.72,f=-0.15) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -12:sc= 0.481 USER MOD Single : A 8 LYS NZ :NH3+ 148:sc= 0.342 (180deg=0.0462) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.014) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0526 USER MOD Single : A 26 SER OG : rot -105:sc= 0.0115 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -129:sc= -6.72! (180deg=-10.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0.177 (180deg=0.0171) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 150:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.581 K(o=0.58,f=-7.7!) USER MOD Single : A 64 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.11) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -179:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 1.810 13.339 8.148 1.00 0.00 N ATOM 15 CA ASP A 2 2.539 12.697 7.057 1.00 0.00 C ATOM 16 C ASP A 2 2.093 11.248 6.860 1.00 0.00 C ATOM 17 O ASP A 2 1.291 10.721 7.635 1.00 0.00 O ATOM 18 CB ASP A 2 4.046 12.750 7.329 1.00 0.00 C ATOM 19 CG ASP A 2 4.595 14.163 7.262 1.00 0.00 C ATOM 20 OD1 ASP A 2 4.605 14.847 8.308 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.012 14.586 6.163 1.00 0.00 O ATOM 0 HA ASP A 2 2.317 13.243 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.250 12.330 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.566 12.126 6.602 1.00 0.00 H new ATOM 26 N VAL A 3 2.623 10.613 5.815 1.00 0.00 N ATOM 27 CA VAL A 3 2.295 9.224 5.502 1.00 0.00 C ATOM 28 C VAL A 3 2.891 8.268 6.537 1.00 0.00 C ATOM 29 O VAL A 3 2.311 7.221 6.828 1.00 0.00 O ATOM 30 CB VAL A 3 2.785 8.829 4.087 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.307 8.845 4.007 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.233 7.466 3.690 1.00 0.00 C ATOM 0 H VAL A 3 3.285 11.042 5.168 1.00 0.00 H new ATOM 0 HA VAL A 3 1.208 9.141 5.529 1.00 0.00 H new ATOM 0 HB VAL A 3 2.409 9.569 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.622 8.564 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.673 9.846 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.717 8.137 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.588 7.206 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.572 6.715 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.144 7.501 3.689 1.00 0.00 H new ATOM 42 N TRP A 4 4.050 8.636 7.091 1.00 0.00 N ATOM 43 CA TRP A 4 4.718 7.813 8.095 1.00 0.00 C ATOM 44 C TRP A 4 4.089 8.033 9.471 1.00 0.00 C ATOM 45 O TRP A 4 3.898 7.079 10.228 1.00 0.00 O ATOM 46 CB TRP A 4 6.215 8.133 8.138 1.00 0.00 C ATOM 47 CG TRP A 4 7.089 6.914 8.170 1.00 0.00 C ATOM 48 CD1 TRP A 4 7.006 5.867 9.042 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.184 6.622 7.293 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.980 4.939 8.758 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.716 5.380 7.689 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.764 7.288 6.209 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.800 4.792 7.040 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.840 6.704 5.567 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.348 5.467 5.984 1.00 0.00 C ATOM 0 H TRP A 4 4.542 9.499 6.859 1.00 0.00 H new ATOM 0 HA TRP A 4 4.594 6.766 7.820 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.475 8.733 7.266 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.423 8.742 9.018 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.281 5.780 9.838 1.00 0.00 H new ATOM 0 HE1 TRP A 4 8.130 4.065 9.261 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.378 8.241 5.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.193 3.838 7.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.297 7.210 4.729 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.190 5.037 5.461 1.00 0.00 H new ATOM 66 N SER A 5 3.771 9.293 9.792 1.00 0.00 N ATOM 67 CA SER A 5 3.135 9.624 11.068 1.00 0.00 C ATOM 68 C SER A 5 1.781 8.923 11.166 1.00 0.00 C ATOM 69 O SER A 5 1.507 8.220 12.141 1.00 0.00 O ATOM 70 CB SER A 5 2.954 11.139 11.200 1.00 0.00 C ATOM 71 OG SER A 5 2.387 11.479 12.454 1.00 0.00 O ATOM 0 H SER A 5 3.944 10.096 9.187 1.00 0.00 H new ATOM 0 HA SER A 5 3.776 9.282 11.880 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.918 11.635 11.087 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.313 11.503 10.397 1.00 0.00 H new ATOM 0 HG SER A 5 2.283 12.452 12.513 1.00 0.00 H new ATOM 77 N LEU A 6 0.941 9.118 10.147 1.00 0.00 N ATOM 78 CA LEU A 6 -0.382 8.505 10.110 1.00 0.00 C ATOM 79 C LEU A 6 -0.351 7.233 9.270 1.00 0.00 C ATOM 80 O LEU A 6 -0.517 7.277 8.048 1.00 0.00 O ATOM 81 CB LEU A 6 -1.422 9.485 9.549 1.00 0.00 C ATOM 82 CG LEU A 6 -1.823 10.632 10.482 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.357 10.090 11.801 1.00 0.00 C ATOM 84 CD2 LEU A 6 -0.644 11.567 10.725 1.00 0.00 C ATOM 0 H LEU A 6 1.157 9.698 9.336 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.668 8.248 11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.031 9.912 8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.319 8.924 9.286 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.617 11.202 9.999 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.636 10.921 12.449 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.232 9.468 11.611 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.586 9.493 12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.951 12.374 11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.173 11.010 11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.310 11.986 9.776 1.00 0.00 H new ATOM 96 N SER A 7 -0.122 6.104 9.935 1.00 0.00 N ATOM 97 CA SER A 7 -0.056 4.813 9.259 1.00 0.00 C ATOM 98 C SER A 7 -1.048 3.798 9.840 1.00 0.00 C ATOM 99 O SER A 7 -0.955 2.605 9.556 1.00 0.00 O ATOM 100 CB SER A 7 1.369 4.258 9.328 1.00 0.00 C ATOM 101 OG SER A 7 2.278 5.091 8.628 1.00 0.00 O ATOM 0 H SER A 7 0.021 6.058 10.944 1.00 0.00 H new ATOM 0 HA SER A 7 -0.336 4.977 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.679 4.172 10.370 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.392 3.254 8.905 1.00 0.00 H new ATOM 0 HG SER A 7 1.779 5.743 8.094 1.00 0.00 H new ATOM 107 N LYS A 8 -2.004 4.275 10.647 1.00 0.00 N ATOM 108 CA LYS A 8 -3.005 3.399 11.251 1.00 0.00 C ATOM 109 C LYS A 8 -4.367 3.550 10.563 1.00 0.00 C ATOM 110 O LYS A 8 -5.414 3.441 11.206 1.00 0.00 O ATOM 111 CB LYS A 8 -3.132 3.694 12.749 1.00 0.00 C ATOM 112 CG LYS A 8 -1.842 3.476 13.532 1.00 0.00 C ATOM 113 CD LYS A 8 -1.201 2.131 13.212 1.00 0.00 C ATOM 114 CE LYS A 8 -2.103 0.967 13.596 1.00 0.00 C ATOM 115 NZ LYS A 8 -1.534 -0.343 13.172 1.00 0.00 N ATOM 0 H LYS A 8 -2.102 5.260 10.894 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.674 2.369 11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.455 4.727 12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.913 3.060 13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.139 4.277 13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.052 3.533 14.600 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.976 2.080 12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.252 2.046 13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.253 0.965 14.676 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.083 1.102 13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.815 -1.079 13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.893 -0.588 12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.497 -0.277 13.142 1.00 0.00 H new ATOM 129 N THR A 9 -4.344 3.785 9.250 1.00 0.00 N ATOM 130 CA THR A 9 -5.567 3.941 8.467 1.00 0.00 C ATOM 131 C THR A 9 -5.599 2.937 7.313 1.00 0.00 C ATOM 132 O THR A 9 -4.888 3.093 6.318 1.00 0.00 O ATOM 133 CB THR A 9 -5.713 5.381 7.919 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.786 5.444 6.971 1.00 0.00 O ATOM 135 CG2 THR A 9 -4.422 5.864 7.267 1.00 0.00 C ATOM 0 H THR A 9 -3.486 3.872 8.706 1.00 0.00 H new ATOM 0 HA THR A 9 -6.408 3.746 9.133 1.00 0.00 H new ATOM 0 HB THR A 9 -5.934 6.035 8.763 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.870 6.360 6.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.561 6.879 6.893 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.617 5.855 8.002 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.164 5.204 6.439 1.00 0.00 H new ATOM 143 N SER A 10 -6.423 1.900 7.461 1.00 0.00 N ATOM 144 CA SER A 10 -6.542 0.858 6.443 1.00 0.00 C ATOM 145 C SER A 10 -7.598 1.206 5.396 1.00 0.00 C ATOM 146 O SER A 10 -8.367 2.155 5.558 1.00 0.00 O ATOM 147 CB SER A 10 -6.886 -0.486 7.097 1.00 0.00 C ATOM 148 OG SER A 10 -8.107 -0.411 7.814 1.00 0.00 O ATOM 0 H SER A 10 -7.018 1.760 8.277 1.00 0.00 H new ATOM 0 HA SER A 10 -5.579 0.784 5.938 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.958 -1.258 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.083 -0.781 7.772 1.00 0.00 H new ATOM 0 HG SER A 10 -8.303 -1.282 8.219 1.00 0.00 H new ATOM 154 N MET A 11 -7.621 0.420 4.319 1.00 0.00 N ATOM 155 CA MET A 11 -8.580 0.612 3.234 1.00 0.00 C ATOM 156 C MET A 11 -9.167 -0.733 2.814 1.00 0.00 C ATOM 157 O MET A 11 -8.482 -1.758 2.855 1.00 0.00 O ATOM 158 CB MET A 11 -7.909 1.294 2.039 1.00 0.00 C ATOM 159 CG MET A 11 -8.876 1.669 0.925 1.00 0.00 C ATOM 160 SD MET A 11 -10.094 2.897 1.437 1.00 0.00 S ATOM 161 CE MET A 11 -9.040 4.308 1.770 1.00 0.00 C ATOM 0 H MET A 11 -6.981 -0.361 4.176 1.00 0.00 H new ATOM 0 HA MET A 11 -9.385 1.255 3.589 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.400 2.194 2.384 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.144 0.630 1.636 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.312 2.056 0.076 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.393 0.773 0.582 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.655 5.197 1.907 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.461 4.124 2.675 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.362 4.461 0.931 1.00 0.00 H new ATOM 171 N THR A 12 -10.432 -0.725 2.402 1.00 0.00 N ATOM 172 CA THR A 12 -11.106 -1.951 1.990 1.00 0.00 C ATOM 173 C THR A 12 -10.882 -2.247 0.509 1.00 0.00 C ATOM 174 O THR A 12 -11.138 -1.405 -0.353 1.00 0.00 O ATOM 175 CB THR A 12 -12.622 -1.887 2.269 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.855 -1.550 3.642 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.290 -3.221 1.954 1.00 0.00 C ATOM 0 H THR A 12 -11.009 0.114 2.345 1.00 0.00 H new ATOM 0 HA THR A 12 -10.669 -2.755 2.582 1.00 0.00 H new ATOM 0 HB THR A 12 -13.052 -1.119 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.820 -1.510 3.810 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.358 -3.150 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.137 -3.465 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.852 -4.003 2.575 1.00 0.00 H new ATOM 185 N PHE A 13 -10.401 -3.457 0.230 1.00 0.00 N ATOM 186 CA PHE A 13 -10.146 -3.903 -1.135 1.00 0.00 C ATOM 187 C PHE A 13 -11.357 -4.657 -1.673 1.00 0.00 C ATOM 188 O PHE A 13 -12.002 -5.414 -0.946 1.00 0.00 O ATOM 189 CB PHE A 13 -8.909 -4.806 -1.173 1.00 0.00 C ATOM 190 CG PHE A 13 -7.626 -4.095 -0.851 1.00 0.00 C ATOM 191 CD1 PHE A 13 -6.925 -3.423 -1.838 1.00 0.00 C ATOM 192 CD2 PHE A 13 -7.116 -4.105 0.438 1.00 0.00 C ATOM 193 CE1 PHE A 13 -5.741 -2.773 -1.547 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.933 -3.460 0.734 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.244 -2.794 -0.258 1.00 0.00 C ATOM 0 H PHE A 13 -10.178 -4.152 0.942 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.965 -3.030 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.047 -5.624 -0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.827 -5.252 -2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.308 -3.407 -2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.651 -4.624 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.205 -2.250 -2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.546 -3.477 1.742 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.317 -2.290 -0.028 1.00 0.00 H new ATOM 205 N GLN A 14 -11.659 -4.444 -2.953 1.00 0.00 N ATOM 206 CA GLN A 14 -12.793 -5.097 -3.596 1.00 0.00 C ATOM 207 C GLN A 14 -12.348 -5.829 -4.860 1.00 0.00 C ATOM 208 O GLN A 14 -12.021 -5.199 -5.869 1.00 0.00 O ATOM 209 CB GLN A 14 -13.877 -4.070 -3.937 1.00 0.00 C ATOM 210 CG GLN A 14 -15.089 -4.668 -4.639 1.00 0.00 C ATOM 211 CD GLN A 14 -16.117 -3.622 -5.034 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.776 -2.475 -5.324 1.00 0.00 O ATOM 213 NE2 GLN A 14 -17.387 -4.014 -5.048 1.00 0.00 N ATOM 0 H GLN A 14 -11.131 -3.822 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.206 -5.827 -2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.204 -3.582 -3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.445 -3.297 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.760 -5.202 -5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.558 -5.402 -3.983 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.627 -4.974 -4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -18.121 -3.355 -5.306 1.00 0.00 H new ATOM 222 N PRO A 15 -12.321 -7.174 -4.817 1.00 0.00 N ATOM 223 CA PRO A 15 -11.914 -7.996 -5.963 1.00 0.00 C ATOM 224 C PRO A 15 -12.829 -7.804 -7.169 1.00 0.00 C ATOM 225 O PRO A 15 -14.036 -7.600 -7.019 1.00 0.00 O ATOM 226 CB PRO A 15 -12.016 -9.433 -5.442 1.00 0.00 C ATOM 227 CG PRO A 15 -12.037 -9.318 -3.957 1.00 0.00 C ATOM 228 CD PRO A 15 -12.680 -7.997 -3.650 1.00 0.00 C ATOM 0 HA PRO A 15 -10.917 -7.729 -6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.918 -9.921 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.170 -10.033 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -12.599 -10.138 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.028 -9.364 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.760 -8.090 -3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.300 -7.569 -2.722 1.00 0.00 H new ATOM 236 N LYS A 16 -12.246 -7.874 -8.365 1.00 0.00 N ATOM 237 CA LYS A 16 -13.007 -7.719 -9.601 1.00 0.00 C ATOM 238 C LYS A 16 -13.890 -8.942 -9.851 1.00 0.00 C ATOM 239 O LYS A 16 -15.027 -8.813 -10.308 1.00 0.00 O ATOM 240 CB LYS A 16 -12.059 -7.506 -10.787 1.00 0.00 C ATOM 241 CG LYS A 16 -11.313 -6.181 -10.743 1.00 0.00 C ATOM 242 CD LYS A 16 -12.263 -4.996 -10.829 1.00 0.00 C ATOM 243 CE LYS A 16 -11.510 -3.676 -10.784 1.00 0.00 C ATOM 244 NZ LYS A 16 -12.434 -2.506 -10.785 1.00 0.00 N ATOM 0 H LYS A 16 -11.249 -8.037 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.648 -6.844 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.335 -8.320 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.632 -7.560 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.736 -6.119 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.601 -6.137 -11.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.839 -5.056 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.975 -5.038 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.886 -3.645 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.841 -3.611 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.880 -1.626 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.012 -2.521 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.055 -2.554 -9.952 1.00 0.00 H new ATOM 258 N LYS A 17 -13.356 -10.128 -9.544 1.00 0.00 N ATOM 259 CA LYS A 17 -14.086 -11.380 -9.733 1.00 0.00 C ATOM 260 C LYS A 17 -14.549 -11.950 -8.392 1.00 0.00 C ATOM 261 O LYS A 17 -14.115 -11.498 -7.330 1.00 0.00 O ATOM 262 CB LYS A 17 -13.206 -12.410 -10.453 1.00 0.00 C ATOM 263 CG LYS A 17 -12.431 -11.846 -11.637 1.00 0.00 C ATOM 264 CD LYS A 17 -13.359 -11.317 -12.720 1.00 0.00 C ATOM 265 CE LYS A 17 -12.581 -10.616 -13.822 1.00 0.00 C ATOM 266 NZ LYS A 17 -13.466 -10.158 -14.928 1.00 0.00 N ATOM 0 H LYS A 17 -12.417 -10.245 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.963 -11.166 -10.344 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.500 -12.832 -9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.835 -13.229 -10.801 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.778 -11.044 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.790 -12.622 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.932 -12.141 -13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.076 -10.623 -12.280 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.052 -9.760 -13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.826 -11.294 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.894 -9.686 -15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.952 -10.977 -15.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.171 -9.491 -14.555 1.00 0.00 H new ATOM 280 N ALA A 18 -15.433 -12.947 -8.452 1.00 0.00 N ATOM 281 CA ALA A 18 -15.953 -13.589 -7.245 1.00 0.00 C ATOM 282 C ALA A 18 -14.903 -14.496 -6.600 1.00 0.00 C ATOM 283 O ALA A 18 -14.872 -14.644 -5.377 1.00 0.00 O ATOM 284 CB ALA A 18 -17.211 -14.383 -7.569 1.00 0.00 C ATOM 0 H ALA A 18 -15.803 -13.327 -9.323 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.203 -12.805 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.587 -14.855 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.971 -13.713 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.977 -15.150 -8.307 1.00 0.00 H new ATOM 290 N SER A 19 -14.048 -15.103 -7.431 1.00 0.00 N ATOM 291 CA SER A 19 -12.993 -15.995 -6.945 1.00 0.00 C ATOM 292 C SER A 19 -12.117 -15.300 -5.901 1.00 0.00 C ATOM 293 O SER A 19 -11.855 -15.855 -4.833 1.00 0.00 O ATOM 294 CB SER A 19 -12.126 -16.480 -8.111 1.00 0.00 C ATOM 295 OG SER A 19 -12.897 -17.204 -9.056 1.00 0.00 O ATOM 0 H SER A 19 -14.068 -14.991 -8.445 1.00 0.00 H new ATOM 0 HA SER A 19 -13.473 -16.852 -6.474 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.657 -15.626 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.323 -17.112 -7.732 1.00 0.00 H new ATOM 0 HG SER A 19 -12.320 -17.501 -9.791 1.00 0.00 H new ATOM 301 N LEU A 20 -11.670 -14.082 -6.219 1.00 0.00 N ATOM 302 CA LEU A 20 -10.831 -13.307 -5.309 1.00 0.00 C ATOM 303 C LEU A 20 -11.627 -12.837 -4.092 1.00 0.00 C ATOM 304 O LEU A 20 -12.839 -12.623 -4.176 1.00 0.00 O ATOM 305 CB LEU A 20 -10.236 -12.102 -6.040 1.00 0.00 C ATOM 306 CG LEU A 20 -9.176 -12.430 -7.094 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.008 -11.264 -8.058 1.00 0.00 C ATOM 308 CD2 LEU A 20 -7.848 -12.765 -6.431 1.00 0.00 C ATOM 0 H LEU A 20 -11.877 -13.613 -7.101 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.024 -13.952 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.046 -11.555 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.795 -11.433 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.509 -13.302 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.251 -11.513 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.956 -11.066 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.697 -10.377 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.107 -12.995 -7.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.509 -11.912 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.975 -13.628 -5.778 1.00 0.00 H new ATOM 320 N GLN A 21 -10.933 -12.673 -2.967 1.00 0.00 N ATOM 321 CA GLN A 21 -11.565 -12.238 -1.722 1.00 0.00 C ATOM 322 C GLN A 21 -11.055 -10.863 -1.288 1.00 0.00 C ATOM 323 O GLN A 21 -9.867 -10.567 -1.417 1.00 0.00 O ATOM 324 CB GLN A 21 -11.309 -13.264 -0.613 1.00 0.00 C ATOM 325 CG GLN A 21 -12.511 -14.145 -0.295 1.00 0.00 C ATOM 326 CD GLN A 21 -13.055 -14.871 -1.513 1.00 0.00 C ATOM 327 OE1 GLN A 21 -12.591 -15.956 -1.861 1.00 0.00 O ATOM 328 NE2 GLN A 21 -14.054 -14.279 -2.161 1.00 0.00 N ATOM 0 H GLN A 21 -9.929 -12.836 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.637 -12.160 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.473 -13.899 -0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.008 -12.738 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.228 -14.877 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.301 -13.530 0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.409 -13.379 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.466 -14.725 -2.981 1.00 0.00 H new ATOM 337 N PRO A 22 -11.957 -10.008 -0.760 1.00 0.00 N ATOM 338 CA PRO A 22 -11.613 -8.649 -0.303 1.00 0.00 C ATOM 339 C PRO A 22 -10.492 -8.626 0.739 1.00 0.00 C ATOM 340 O PRO A 22 -10.109 -9.665 1.282 1.00 0.00 O ATOM 341 CB PRO A 22 -12.922 -8.135 0.308 1.00 0.00 C ATOM 342 CG PRO A 22 -13.987 -8.937 -0.355 1.00 0.00 C ATOM 343 CD PRO A 22 -13.391 -10.298 -0.573 1.00 0.00 C ATOM 0 HA PRO A 22 -11.235 -8.039 -1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.936 -8.274 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.055 -7.069 0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.879 -8.995 0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.287 -8.485 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.562 -10.954 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.820 -10.791 -1.445 1.00 0.00 H new ATOM 351 N LEU A 23 -9.979 -7.426 1.016 1.00 0.00 N ATOM 352 CA LEU A 23 -8.894 -7.247 1.981 1.00 0.00 C ATOM 353 C LEU A 23 -9.044 -5.926 2.739 1.00 0.00 C ATOM 354 O LEU A 23 -9.720 -5.009 2.276 1.00 0.00 O ATOM 355 CB LEU A 23 -7.546 -7.286 1.255 1.00 0.00 C ATOM 356 CG LEU A 23 -6.309 -7.265 2.158 1.00 0.00 C ATOM 357 CD1 LEU A 23 -6.247 -8.523 3.010 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.047 -7.124 1.322 1.00 0.00 C ATOM 0 H LEU A 23 -10.300 -6.560 0.583 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.940 -8.060 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.510 -8.185 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.494 -6.434 0.577 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.382 -6.405 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.361 -8.489 3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.139 -8.584 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.197 -9.399 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.176 -7.111 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.970 -7.966 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.088 -6.194 0.755 1.00 0.00 H new ATOM 370 N THR A 24 -8.415 -5.841 3.912 1.00 0.00 N ATOM 371 CA THR A 24 -8.473 -4.631 4.731 1.00 0.00 C ATOM 372 C THR A 24 -7.211 -4.484 5.583 1.00 0.00 C ATOM 373 O THR A 24 -7.162 -4.944 6.727 1.00 0.00 O ATOM 374 CB THR A 24 -9.716 -4.619 5.649 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.903 -4.845 4.878 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.836 -3.289 6.381 1.00 0.00 C ATOM 0 H THR A 24 -7.860 -6.596 4.316 1.00 0.00 H new ATOM 0 HA THR A 24 -8.543 -3.788 4.043 1.00 0.00 H new ATOM 0 HB THR A 24 -9.600 -5.417 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.684 -4.837 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.718 -3.304 7.021 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.947 -3.128 6.992 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.928 -2.481 5.655 1.00 0.00 H new ATOM 384 N ILE A 25 -6.185 -3.852 5.009 1.00 0.00 N ATOM 385 CA ILE A 25 -4.914 -3.655 5.706 1.00 0.00 C ATOM 386 C ILE A 25 -4.452 -2.195 5.639 1.00 0.00 C ATOM 387 O ILE A 25 -4.810 -1.462 4.715 1.00 0.00 O ATOM 388 CB ILE A 25 -3.819 -4.579 5.122 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.595 -4.615 6.042 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.425 -4.133 3.719 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.852 -5.304 7.364 1.00 0.00 C ATOM 0 H ILE A 25 -6.210 -3.469 4.064 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.078 -3.912 6.753 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.226 -5.588 5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.780 -5.125 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.263 -3.594 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.654 -4.797 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.298 -4.168 3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.041 -3.114 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.942 -5.292 7.964 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.645 -4.782 7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.154 -6.336 7.184 1.00 0.00 H new ATOM 403 N SER A 26 -3.653 -1.786 6.629 1.00 0.00 N ATOM 404 CA SER A 26 -3.141 -0.416 6.700 1.00 0.00 C ATOM 405 C SER A 26 -1.617 -0.366 6.536 1.00 0.00 C ATOM 406 O SER A 26 -0.949 -1.399 6.473 1.00 0.00 O ATOM 407 CB SER A 26 -3.537 0.216 8.039 1.00 0.00 C ATOM 408 OG SER A 26 -3.109 1.565 8.118 1.00 0.00 O ATOM 0 H SER A 26 -3.347 -2.387 7.394 1.00 0.00 H new ATOM 0 HA SER A 26 -3.583 0.146 5.877 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.619 0.168 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.099 -0.355 8.857 1.00 0.00 H new ATOM 0 HG SER A 26 -2.334 1.628 8.714 1.00 0.00 H new ATOM 414 N LEU A 27 -1.088 0.858 6.467 1.00 0.00 N ATOM 415 CA LEU A 27 0.350 1.103 6.325 1.00 0.00 C ATOM 416 C LEU A 27 1.154 0.424 7.435 1.00 0.00 C ATOM 417 O LEU A 27 1.927 -0.500 7.178 1.00 0.00 O ATOM 418 CB LEU A 27 0.625 2.612 6.354 1.00 0.00 C ATOM 419 CG LEU A 27 -0.142 3.442 5.318 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.272 4.904 5.394 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.079 2.892 3.915 1.00 0.00 C ATOM 0 H LEU A 27 -1.647 1.710 6.508 1.00 0.00 H new ATOM 0 HA LEU A 27 0.663 0.680 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.383 2.989 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.693 2.772 6.204 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.206 3.374 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.282 5.478 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.055 5.292 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.340 4.990 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.474 3.496 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.142 2.925 3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.272 1.861 3.869 1.00 0.00 H new ATOM 433 N ASP A 28 0.948 0.878 8.672 1.00 0.00 N ATOM 434 CA ASP A 28 1.662 0.342 9.831 1.00 0.00 C ATOM 435 C ASP A 28 1.367 -1.143 10.033 1.00 0.00 C ATOM 436 O ASP A 28 2.247 -1.908 10.431 1.00 0.00 O ATOM 437 CB ASP A 28 1.271 1.121 11.092 1.00 0.00 C ATOM 438 CG ASP A 28 2.069 0.700 12.311 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.180 1.236 12.507 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.582 -0.163 13.071 1.00 0.00 O ATOM 0 H ASP A 28 0.287 1.621 8.898 1.00 0.00 H new ATOM 0 HA ASP A 28 2.730 0.453 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.419 2.187 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.209 0.975 11.290 1.00 0.00 H new ATOM 445 N GLU A 29 0.128 -1.541 9.751 1.00 0.00 N ATOM 446 CA GLU A 29 -0.293 -2.927 9.914 1.00 0.00 C ATOM 447 C GLU A 29 0.272 -3.838 8.815 1.00 0.00 C ATOM 448 O GLU A 29 0.200 -5.063 8.937 1.00 0.00 O ATOM 449 CB GLU A 29 -1.823 -3.008 9.919 1.00 0.00 C ATOM 450 CG GLU A 29 -2.371 -4.284 10.541 1.00 0.00 C ATOM 451 CD GLU A 29 -2.038 -4.405 12.016 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.784 -3.838 12.843 1.00 0.00 O ATOM 453 OE2 GLU A 29 -1.030 -5.066 12.345 1.00 0.00 O ATOM 0 H GLU A 29 -0.603 -0.919 9.407 1.00 0.00 H new ATOM 0 HA GLU A 29 0.102 -3.279 10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.221 -2.151 10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.184 -2.931 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.453 -4.310 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.967 -5.145 10.009 1.00 0.00 H new ATOM 460 N LEU A 30 0.837 -3.254 7.751 1.00 0.00 N ATOM 461 CA LEU A 30 1.380 -4.056 6.654 1.00 0.00 C ATOM 462 C LEU A 30 2.882 -3.828 6.420 1.00 0.00 C ATOM 463 O LEU A 30 3.431 -4.308 5.428 1.00 0.00 O ATOM 464 CB LEU A 30 0.599 -3.778 5.367 1.00 0.00 C ATOM 465 CG LEU A 30 0.850 -4.758 4.215 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.539 -6.185 4.647 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.018 -4.374 3.003 1.00 0.00 C ATOM 0 H LEU A 30 0.928 -2.245 7.629 1.00 0.00 H new ATOM 0 HA LEU A 30 1.266 -5.101 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.466 -3.785 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.844 -2.772 5.025 1.00 0.00 H new ATOM 0 HG LEU A 30 1.904 -4.706 3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.723 -6.865 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.177 -6.458 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.506 -6.254 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.207 -5.079 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.040 -4.398 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.289 -3.369 2.679 1.00 0.00 H new ATOM 479 N PHE A 31 3.552 -3.113 7.334 1.00 0.00 N ATOM 480 CA PHE A 31 4.991 -2.879 7.177 1.00 0.00 C ATOM 481 C PHE A 31 5.741 -3.176 8.474 1.00 0.00 C ATOM 482 O PHE A 31 5.273 -2.835 9.563 1.00 0.00 O ATOM 483 CB PHE A 31 5.290 -1.451 6.695 1.00 0.00 C ATOM 484 CG PHE A 31 4.629 -1.085 5.393 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.734 -1.909 4.285 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.902 0.090 5.281 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.126 -1.570 3.091 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.292 0.434 4.089 1.00 0.00 C ATOM 489 CZ PHE A 31 3.404 -0.398 2.994 1.00 0.00 C ATOM 0 H PHE A 31 3.134 -2.698 8.167 1.00 0.00 H new ATOM 0 HA PHE A 31 5.345 -3.567 6.409 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.969 -0.747 7.462 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.368 -1.335 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.298 -2.828 4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.811 0.745 6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.216 -2.222 2.235 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.729 1.352 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.927 -0.132 2.062 1.00 0.00 H new ATOM 499 N SER A 32 6.904 -3.814 8.349 1.00 0.00 N ATOM 500 CA SER A 32 7.721 -4.168 9.508 1.00 0.00 C ATOM 501 C SER A 32 9.185 -3.764 9.296 1.00 0.00 C ATOM 502 O SER A 32 10.098 -4.421 9.803 1.00 0.00 O ATOM 503 CB SER A 32 7.640 -5.681 9.741 1.00 0.00 C ATOM 504 OG SER A 32 6.307 -6.088 9.998 1.00 0.00 O ATOM 0 H SER A 32 7.302 -4.097 7.454 1.00 0.00 H new ATOM 0 HA SER A 32 7.339 -3.632 10.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.022 -6.208 8.866 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.276 -5.957 10.582 1.00 0.00 H new ATOM 0 HG SER A 32 6.283 -7.057 10.141 1.00 0.00 H new ATOM 510 N SER A 33 9.403 -2.671 8.560 1.00 0.00 N ATOM 511 CA SER A 33 10.755 -2.188 8.285 1.00 0.00 C ATOM 512 C SER A 33 10.735 -0.763 7.735 1.00 0.00 C ATOM 513 O SER A 33 9.960 -0.452 6.827 1.00 0.00 O ATOM 514 CB SER A 33 11.463 -3.123 7.299 1.00 0.00 C ATOM 515 OG SER A 33 12.736 -2.617 6.930 1.00 0.00 O ATOM 0 H SER A 33 8.661 -2.106 8.146 1.00 0.00 H new ATOM 0 HA SER A 33 11.304 -2.179 9.226 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.578 -4.109 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.847 -3.249 6.408 1.00 0.00 H new ATOM 0 HG SER A 33 13.164 -3.235 6.302 1.00 0.00 H new ATOM 521 N ARG A 34 11.589 0.099 8.289 1.00 0.00 N ATOM 522 CA ARG A 34 11.673 1.490 7.838 1.00 0.00 C ATOM 523 C ARG A 34 12.169 1.561 6.394 1.00 0.00 C ATOM 524 O ARG A 34 11.665 2.357 5.598 1.00 0.00 O ATOM 525 CB ARG A 34 12.586 2.308 8.760 1.00 0.00 C ATOM 526 CG ARG A 34 13.991 1.743 8.912 1.00 0.00 C ATOM 527 CD ARG A 34 14.806 2.547 9.911 1.00 0.00 C ATOM 528 NE ARG A 34 16.082 1.903 10.229 1.00 0.00 N ATOM 529 CZ ARG A 34 16.865 2.262 11.250 1.00 0.00 C ATOM 530 NH1 ARG A 34 16.515 3.268 12.049 1.00 0.00 N ATOM 531 NH2 ARG A 34 18.002 1.614 11.471 1.00 0.00 N ATOM 0 H ARG A 34 12.229 -0.139 9.047 1.00 0.00 H new ATOM 0 HA ARG A 34 10.672 1.919 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.656 3.325 8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.124 2.372 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.934 0.705 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.493 1.746 7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.994 3.542 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.229 2.678 10.826 1.00 0.00 H new ATOM 0 HE ARG A 34 16.392 1.134 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.643 3.771 11.884 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.119 3.536 12.826 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.277 0.843 10.862 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.601 1.887 12.250 1.00 0.00 H new ATOM 545 N GLY A 35 13.159 0.725 6.061 1.00 0.00 N ATOM 546 CA GLY A 35 13.686 0.694 4.708 1.00 0.00 C ATOM 547 C GLY A 35 12.668 0.159 3.719 1.00 0.00 C ATOM 548 O GLY A 35 12.611 0.612 2.575 1.00 0.00 O ATOM 0 H GLY A 35 13.602 0.071 6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.987 1.699 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.581 0.072 4.681 1.00 0.00 H new ATOM 552 N GLU A 36 11.866 -0.816 4.161 1.00 0.00 N ATOM 553 CA GLU A 36 10.824 -1.393 3.316 1.00 0.00 C ATOM 554 C GLU A 36 9.847 -0.302 2.882 1.00 0.00 C ATOM 555 O GLU A 36 9.414 -0.271 1.730 1.00 0.00 O ATOM 556 CB GLU A 36 10.080 -2.508 4.062 1.00 0.00 C ATOM 557 CG GLU A 36 8.913 -3.098 3.283 1.00 0.00 C ATOM 558 CD GLU A 36 9.350 -3.814 2.017 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.432 -3.155 0.959 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.605 -5.035 2.083 1.00 0.00 O ATOM 0 H GLU A 36 11.921 -1.219 5.097 1.00 0.00 H new ATOM 0 HA GLU A 36 11.290 -1.827 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.784 -3.305 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.710 -2.114 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.373 -3.797 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.217 -2.301 3.022 1.00 0.00 H new ATOM 567 N PHE A 37 9.506 0.591 3.820 1.00 0.00 N ATOM 568 CA PHE A 37 8.603 1.702 3.535 1.00 0.00 C ATOM 569 C PHE A 37 9.168 2.554 2.399 1.00 0.00 C ATOM 570 O PHE A 37 8.437 2.972 1.501 1.00 0.00 O ATOM 571 CB PHE A 37 8.397 2.558 4.790 1.00 0.00 C ATOM 572 CG PHE A 37 7.210 3.476 4.712 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.941 3.017 5.032 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.361 4.798 4.325 1.00 0.00 C ATOM 575 CE1 PHE A 37 4.848 3.859 4.966 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.270 5.644 4.258 1.00 0.00 C ATOM 577 CZ PHE A 37 5.012 5.173 4.580 1.00 0.00 C ATOM 0 H PHE A 37 9.845 0.562 4.782 1.00 0.00 H new ATOM 0 HA PHE A 37 7.637 1.301 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.280 1.900 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.294 3.153 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.806 1.990 5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.342 5.172 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.865 3.488 5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.401 6.672 3.954 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.158 5.833 4.530 1.00 0.00 H new ATOM 587 N ILE A 38 10.475 2.826 2.460 1.00 0.00 N ATOM 588 CA ILE A 38 11.151 3.596 1.419 1.00 0.00 C ATOM 589 C ILE A 38 10.952 2.953 0.046 1.00 0.00 C ATOM 590 O ILE A 38 10.549 3.631 -0.902 1.00 0.00 O ATOM 591 CB ILE A 38 12.665 3.726 1.711 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.893 4.476 3.030 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.380 4.434 0.567 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.246 5.846 3.076 1.00 0.00 C ATOM 0 H ILE A 38 11.084 2.523 3.221 1.00 0.00 H new ATOM 0 HA ILE A 38 10.707 4.591 1.415 1.00 0.00 H new ATOM 0 HB ILE A 38 13.081 2.723 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.505 3.874 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.965 4.585 3.194 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.443 4.513 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.248 3.864 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.961 5.432 0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.452 6.313 4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.652 6.467 2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 38 11.169 5.744 2.945 1.00 0.00 H new ATOM 606 N SER A 39 11.233 1.646 -0.062 1.00 0.00 N ATOM 607 CA SER A 39 11.082 0.940 -1.338 1.00 0.00 C ATOM 608 C SER A 39 9.638 1.038 -1.826 1.00 0.00 C ATOM 609 O SER A 39 9.378 1.655 -2.861 1.00 0.00 O ATOM 610 CB SER A 39 11.511 -0.526 -1.211 1.00 0.00 C ATOM 611 OG SER A 39 12.858 -0.629 -0.786 1.00 0.00 O ATOM 0 H SER A 39 11.562 1.065 0.709 1.00 0.00 H new ATOM 0 HA SER A 39 11.733 1.415 -2.072 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.862 -1.038 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.390 -1.028 -2.171 1.00 0.00 H new ATOM 0 HG SER A 39 13.106 -1.574 -0.711 1.00 0.00 H new ATOM 617 N VAL A 40 8.713 0.405 -1.091 1.00 0.00 N ATOM 618 CA VAL A 40 7.290 0.380 -1.455 1.00 0.00 C ATOM 619 C VAL A 40 6.789 1.670 -2.108 1.00 0.00 C ATOM 620 O VAL A 40 5.963 1.608 -3.019 1.00 0.00 O ATOM 621 CB VAL A 40 6.379 0.033 -0.252 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.640 -1.388 0.228 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.566 1.022 0.886 1.00 0.00 C ATOM 0 H VAL A 40 8.929 -0.101 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 40 7.224 -0.413 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 40 5.345 0.101 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.990 -1.612 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.436 -2.089 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.681 -1.482 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.912 0.751 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.603 1.001 1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.316 2.025 0.541 1.00 0.00 H new ATOM 633 N GLY A 41 7.273 2.834 -1.662 1.00 0.00 N ATOM 634 CA GLY A 41 6.829 4.091 -2.242 1.00 0.00 C ATOM 635 C GLY A 41 6.403 5.086 -1.176 1.00 0.00 C ATOM 636 O GLY A 41 5.363 5.731 -1.308 1.00 0.00 O ATOM 0 H GLY A 41 7.960 2.925 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.634 4.520 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.995 3.904 -2.919 1.00 0.00 H new ATOM 640 N GLY A 42 7.218 5.219 -0.123 1.00 0.00 N ATOM 641 CA GLY A 42 6.890 6.121 0.967 1.00 0.00 C ATOM 642 C GLY A 42 7.799 7.334 1.048 1.00 0.00 C ATOM 643 O GLY A 42 8.960 7.223 1.448 1.00 0.00 O ATOM 0 H GLY A 42 8.098 4.716 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.860 6.457 0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.943 5.574 1.908 1.00 0.00 H new ATOM 647 N ASP A 43 7.263 8.491 0.666 1.00 0.00 N ATOM 648 CA ASP A 43 7.999 9.751 0.753 1.00 0.00 C ATOM 649 C ASP A 43 7.548 10.499 2.014 1.00 0.00 C ATOM 650 O ASP A 43 8.147 10.329 3.077 1.00 0.00 O ATOM 651 CB ASP A 43 7.767 10.598 -0.503 1.00 0.00 C ATOM 652 CG ASP A 43 8.402 9.988 -1.738 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.725 9.192 -2.422 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.577 10.305 -2.022 1.00 0.00 O ATOM 0 H ASP A 43 6.318 8.582 0.292 1.00 0.00 H new ATOM 0 HA ASP A 43 9.068 9.550 0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.696 10.713 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.174 11.597 -0.344 1.00 0.00 H new ATOM 659 N GLY A 44 6.499 11.320 1.900 1.00 0.00 N ATOM 660 CA GLY A 44 6.018 12.071 3.051 1.00 0.00 C ATOM 661 C GLY A 44 4.535 12.374 2.983 1.00 0.00 C ATOM 662 O GLY A 44 3.745 11.783 3.714 1.00 0.00 O ATOM 0 H GLY A 44 5.979 11.476 1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.226 11.506 3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.571 13.007 3.124 1.00 0.00 H new ATOM 666 N ARG A 45 4.156 13.300 2.108 1.00 0.00 N ATOM 667 CA ARG A 45 2.755 13.677 1.955 1.00 0.00 C ATOM 668 C ARG A 45 2.077 12.803 0.905 1.00 0.00 C ATOM 669 O ARG A 45 2.204 13.043 -0.297 1.00 0.00 O ATOM 670 CB ARG A 45 2.637 15.157 1.580 1.00 0.00 C ATOM 671 CG ARG A 45 3.049 16.107 2.696 1.00 0.00 C ATOM 672 CD ARG A 45 4.526 15.975 3.037 1.00 0.00 C ATOM 673 NE ARG A 45 5.023 17.123 3.798 1.00 0.00 N ATOM 674 CZ ARG A 45 6.302 17.298 4.134 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.223 16.402 3.786 1.00 0.00 N ATOM 676 NH2 ARG A 45 6.664 18.377 4.821 1.00 0.00 N ATOM 0 H ARG A 45 4.798 13.802 1.495 1.00 0.00 H new ATOM 0 HA ARG A 45 2.250 13.522 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.255 15.351 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.606 15.370 1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.836 17.133 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.452 15.904 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.684 15.063 3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.102 15.874 2.117 1.00 0.00 H new ATOM 0 HE ARG A 45 4.350 17.832 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.953 15.572 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.198 16.545 4.048 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.964 19.069 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.641 18.513 5.079 1.00 0.00 H new ATOM 690 N MET A 46 1.363 11.780 1.374 1.00 0.00 N ATOM 691 CA MET A 46 0.668 10.855 0.485 1.00 0.00 C ATOM 692 C MET A 46 -0.639 11.451 -0.031 1.00 0.00 C ATOM 693 O MET A 46 -1.091 12.495 0.448 1.00 0.00 O ATOM 694 CB MET A 46 0.387 9.537 1.206 1.00 0.00 C ATOM 695 CG MET A 46 0.607 8.316 0.332 1.00 0.00 C ATOM 696 SD MET A 46 2.343 7.834 0.248 1.00 0.00 S ATOM 697 CE MET A 46 2.251 6.423 -0.848 1.00 0.00 C ATOM 0 H MET A 46 1.252 11.572 2.366 1.00 0.00 H new ATOM 0 HA MET A 46 1.317 10.668 -0.370 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.029 9.467 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.643 9.539 1.563 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.020 7.484 0.721 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.241 8.522 -0.674 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.769 5.577 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.207 6.161 -1.017 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.721 6.670 -1.800 1.00 0.00 H new ATOM 707 N SER A 47 -1.243 10.777 -1.008 1.00 0.00 N ATOM 708 CA SER A 47 -2.495 11.237 -1.595 1.00 0.00 C ATOM 709 C SER A 47 -3.705 10.638 -0.885 1.00 0.00 C ATOM 710 O SER A 47 -4.454 11.345 -0.209 1.00 0.00 O ATOM 711 CB SER A 47 -2.547 10.881 -3.085 1.00 0.00 C ATOM 712 OG SER A 47 -3.699 11.429 -3.703 1.00 0.00 O ATOM 0 H SER A 47 -0.884 9.910 -1.408 1.00 0.00 H new ATOM 0 HA SER A 47 -2.532 12.320 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.652 11.255 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.548 9.797 -3.203 1.00 0.00 H new ATOM 0 HG SER A 47 -3.706 11.188 -4.653 1.00 0.00 H new ATOM 718 N HIS A 48 -3.874 9.322 -1.039 1.00 0.00 N ATOM 719 CA HIS A 48 -5.012 8.592 -0.483 1.00 0.00 C ATOM 720 C HIS A 48 -5.013 7.161 -1.016 1.00 0.00 C ATOM 721 O HIS A 48 -5.038 6.205 -0.239 1.00 0.00 O ATOM 722 CB HIS A 48 -6.324 9.286 -0.873 1.00 0.00 C ATOM 723 CG HIS A 48 -7.553 8.490 -0.549 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.149 8.498 0.694 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.295 7.656 -1.315 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.205 7.704 0.679 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.315 7.181 -0.528 1.00 0.00 N ATOM 0 H HIS A 48 -3.221 8.732 -1.555 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.927 8.576 0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.381 10.247 -0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.309 9.494 -1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.118 7.410 -2.352 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.866 7.515 1.512 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.040 6.529 -0.828 1.00 0.00 H new ATOM 736 N LYS A 49 -4.986 7.018 -2.340 1.00 0.00 N ATOM 737 CA LYS A 49 -4.935 5.704 -2.973 1.00 0.00 C ATOM 738 C LYS A 49 -3.498 5.177 -2.987 1.00 0.00 C ATOM 739 O LYS A 49 -3.272 3.965 -2.991 1.00 0.00 O ATOM 740 CB LYS A 49 -5.453 5.800 -4.410 1.00 0.00 C ATOM 741 CG LYS A 49 -6.970 5.772 -4.524 1.00 0.00 C ATOM 742 CD LYS A 49 -7.541 4.429 -4.090 1.00 0.00 C ATOM 743 CE LYS A 49 -9.059 4.391 -4.224 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.501 4.477 -5.645 1.00 0.00 N ATOM 0 H LYS A 49 -4.999 7.799 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.562 5.018 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.082 6.722 -4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.040 4.975 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.396 6.565 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.262 5.976 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.103 3.635 -4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.262 4.233 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.438 3.469 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.493 5.217 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.505 4.213 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.375 5.450 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.932 3.828 -6.225 1.00 0.00 H new ATOM 758 N GLU A 50 -2.533 6.102 -2.990 1.00 0.00 N ATOM 759 CA GLU A 50 -1.116 5.756 -3.023 1.00 0.00 C ATOM 760 C GLU A 50 -0.669 5.027 -1.753 1.00 0.00 C ATOM 761 O GLU A 50 -0.028 3.980 -1.837 1.00 0.00 O ATOM 762 CB GLU A 50 -0.276 7.023 -3.213 1.00 0.00 C ATOM 763 CG GLU A 50 -0.490 7.707 -4.554 1.00 0.00 C ATOM 764 CD GLU A 50 0.489 8.843 -4.791 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.214 9.970 -4.329 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.531 8.604 -5.435 1.00 0.00 O ATOM 0 H GLU A 50 -2.715 7.105 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.965 5.078 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.512 7.727 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.779 6.767 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.389 6.972 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.508 8.093 -4.603 1.00 0.00 H new ATOM 773 N ALA A 51 -1.012 5.580 -0.582 1.00 0.00 N ATOM 774 CA ALA A 51 -0.617 4.979 0.698 1.00 0.00 C ATOM 775 C ALA A 51 -0.982 3.500 0.753 1.00 0.00 C ATOM 776 O ALA A 51 -0.097 2.659 0.924 1.00 0.00 O ATOM 777 CB ALA A 51 -1.235 5.730 1.870 1.00 0.00 C ATOM 0 H ALA A 51 -1.558 6.437 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 51 0.467 5.059 0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.926 5.263 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.901 6.767 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.322 5.698 1.791 1.00 0.00 H new ATOM 783 N ILE A 52 -2.265 3.170 0.610 1.00 0.00 N ATOM 784 CA ILE A 52 -2.679 1.771 0.683 1.00 0.00 C ATOM 785 C ILE A 52 -1.938 0.944 -0.369 1.00 0.00 C ATOM 786 O ILE A 52 -1.420 -0.132 -0.063 1.00 0.00 O ATOM 787 CB ILE A 52 -4.204 1.610 0.527 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.937 2.426 1.597 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.602 0.143 0.602 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.698 1.941 3.012 1.00 0.00 C ATOM 0 H ILE A 52 -3.020 3.836 0.447 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.417 1.402 1.675 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.492 1.988 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.624 3.467 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.007 2.399 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.682 0.053 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.107 -0.410 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.302 -0.266 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.251 2.570 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.038 0.910 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.633 1.994 3.240 1.00 0.00 H new ATOM 802 N LEU A 53 -1.898 1.448 -1.605 1.00 0.00 N ATOM 803 CA LEU A 53 -1.291 0.718 -2.721 1.00 0.00 C ATOM 804 C LEU A 53 0.123 0.203 -2.418 1.00 0.00 C ATOM 805 O LEU A 53 0.548 -0.801 -2.995 1.00 0.00 O ATOM 806 CB LEU A 53 -1.307 1.570 -3.993 1.00 0.00 C ATOM 807 CG LEU A 53 -0.902 0.855 -5.284 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.921 -0.213 -5.649 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.750 1.861 -6.417 1.00 0.00 C ATOM 0 H LEU A 53 -2.279 2.360 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.904 -0.170 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.311 1.973 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.639 2.419 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 53 0.058 0.366 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.614 -0.709 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.983 -0.946 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.897 0.250 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.462 1.340 -7.330 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.698 2.375 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.018 2.589 -6.157 1.00 0.00 H new ATOM 821 N LEU A 54 0.852 0.880 -1.522 1.00 0.00 N ATOM 822 CA LEU A 54 2.209 0.457 -1.156 1.00 0.00 C ATOM 823 C LEU A 54 2.245 -1.008 -0.693 1.00 0.00 C ATOM 824 O LEU A 54 3.274 -1.675 -0.823 1.00 0.00 O ATOM 825 CB LEU A 54 2.771 1.364 -0.056 1.00 0.00 C ATOM 826 CG LEU A 54 3.667 2.511 -0.529 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.933 3.397 -1.524 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.143 3.328 0.663 1.00 0.00 C ATOM 0 H LEU A 54 0.527 1.718 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 54 2.829 0.542 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.935 1.787 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.339 0.748 0.641 1.00 0.00 H new ATOM 0 HG LEU A 54 4.535 2.086 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.590 4.205 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.636 2.804 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.046 3.818 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.780 4.142 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.282 3.740 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.709 2.688 1.340 1.00 0.00 H new ATOM 840 N GLY A 55 1.125 -1.499 -0.144 1.00 0.00 N ATOM 841 CA GLY A 55 1.052 -2.877 0.329 1.00 0.00 C ATOM 842 C GLY A 55 1.494 -3.893 -0.712 1.00 0.00 C ATOM 843 O GLY A 55 2.251 -4.812 -0.401 1.00 0.00 O ATOM 0 H GLY A 55 0.266 -0.962 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.675 -2.983 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.028 -3.097 0.630 1.00 0.00 H new ATOM 847 N LEU A 56 1.006 -3.734 -1.946 1.00 0.00 N ATOM 848 CA LEU A 56 1.354 -4.643 -3.045 1.00 0.00 C ATOM 849 C LEU A 56 2.865 -4.855 -3.139 1.00 0.00 C ATOM 850 O LEU A 56 3.325 -5.983 -3.323 1.00 0.00 O ATOM 851 CB LEU A 56 0.824 -4.109 -4.379 1.00 0.00 C ATOM 852 CG LEU A 56 -0.651 -3.691 -4.382 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.108 -3.346 -5.791 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.521 -4.789 -3.786 1.00 0.00 C ATOM 0 H LEU A 56 0.368 -2.983 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 56 0.885 -5.603 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.428 -3.250 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.968 -4.875 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.756 -2.800 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.157 -3.052 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.507 -2.522 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.987 -4.216 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.564 -4.473 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.411 -5.700 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.211 -4.981 -2.759 1.00 0.00 H new ATOM 866 N ARG A 57 3.632 -3.770 -3.016 1.00 0.00 N ATOM 867 CA ARG A 57 5.093 -3.848 -3.088 1.00 0.00 C ATOM 868 C ARG A 57 5.663 -4.674 -1.932 1.00 0.00 C ATOM 869 O ARG A 57 6.674 -5.360 -2.090 1.00 0.00 O ATOM 870 CB ARG A 57 5.708 -2.444 -3.080 1.00 0.00 C ATOM 871 CG ARG A 57 5.288 -1.582 -4.261 1.00 0.00 C ATOM 872 CD ARG A 57 5.617 -2.248 -5.590 1.00 0.00 C ATOM 873 NE ARG A 57 7.049 -2.515 -5.734 1.00 0.00 N ATOM 874 CZ ARG A 57 7.560 -3.485 -6.498 1.00 0.00 C ATOM 875 NH1 ARG A 57 6.762 -4.291 -7.195 1.00 0.00 N ATOM 876 NH2 ARG A 57 8.876 -3.648 -6.564 1.00 0.00 N ATOM 0 H ARG A 57 3.267 -2.829 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 57 5.352 -4.344 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.426 -1.940 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.794 -2.534 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.217 -1.388 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.791 -0.616 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.064 -3.184 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.284 -1.608 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 57 7.699 -1.922 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.750 -4.171 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.162 -5.028 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.493 -3.034 -6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.270 -4.387 -7.146 1.00 0.00 H new ATOM 890 N TYR A 58 5.007 -4.600 -0.772 1.00 0.00 N ATOM 891 CA TYR A 58 5.431 -5.349 0.410 1.00 0.00 C ATOM 892 C TYR A 58 5.248 -6.854 0.199 1.00 0.00 C ATOM 893 O TYR A 58 6.137 -7.650 0.512 1.00 0.00 O ATOM 894 CB TYR A 58 4.626 -4.894 1.632 1.00 0.00 C ATOM 895 CG TYR A 58 5.076 -5.517 2.934 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.131 -4.977 3.655 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.442 -6.644 3.443 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.544 -5.540 4.848 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.848 -7.213 4.635 1.00 0.00 C ATOM 900 CZ TYR A 58 5.899 -6.658 5.333 1.00 0.00 C ATOM 901 OH TYR A 58 6.305 -7.223 6.522 1.00 0.00 O ATOM 0 H TYR A 58 4.176 -4.026 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 58 6.490 -5.152 0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.696 -3.810 1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.575 -5.134 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.638 -4.102 3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.619 -7.082 2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.367 -5.107 5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.344 -8.088 5.018 1.00 0.00 H new ATOM 0 HH TYR A 58 5.746 -8.003 6.721 1.00 0.00 H new ATOM 911 N LYS A 59 4.084 -7.226 -0.336 1.00 0.00 N ATOM 912 CA LYS A 59 3.747 -8.624 -0.601 1.00 0.00 C ATOM 913 C LYS A 59 4.334 -9.127 -1.924 1.00 0.00 C ATOM 914 O LYS A 59 4.285 -10.326 -2.207 1.00 0.00 O ATOM 915 CB LYS A 59 2.226 -8.787 -0.621 1.00 0.00 C ATOM 916 CG LYS A 59 1.566 -8.467 0.710 1.00 0.00 C ATOM 917 CD LYS A 59 2.004 -9.441 1.795 1.00 0.00 C ATOM 918 CE LYS A 59 1.472 -9.037 3.159 1.00 0.00 C ATOM 919 NZ LYS A 59 1.972 -9.933 4.239 1.00 0.00 N ATOM 0 H LYS A 59 3.350 -6.567 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 59 4.184 -9.223 0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.809 -8.137 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.982 -9.811 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.819 -7.450 1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.482 -8.506 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.652 -10.443 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.093 -9.485 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.767 -8.010 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.382 -9.059 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.586 -9.623 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.669 -10.909 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.011 -9.893 4.270 1.00 0.00 H new ATOM 933 N LYS A 60 4.881 -8.214 -2.735 1.00 0.00 N ATOM 934 CA LYS A 60 5.468 -8.571 -4.028 1.00 0.00 C ATOM 935 C LYS A 60 4.400 -9.107 -4.983 1.00 0.00 C ATOM 936 O LYS A 60 4.381 -10.295 -5.316 1.00 0.00 O ATOM 937 CB LYS A 60 6.596 -9.598 -3.852 1.00 0.00 C ATOM 938 CG LYS A 60 7.734 -9.119 -2.961 1.00 0.00 C ATOM 939 CD LYS A 60 8.330 -7.809 -3.458 1.00 0.00 C ATOM 940 CE LYS A 60 8.864 -7.935 -4.878 1.00 0.00 C ATOM 941 NZ LYS A 60 9.371 -6.635 -5.398 1.00 0.00 N ATOM 0 H LYS A 60 4.928 -7.219 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 60 5.893 -7.667 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.179 -10.513 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.998 -9.853 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.368 -8.988 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.512 -9.881 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.571 -7.028 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.136 -7.500 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.666 -8.673 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.074 -8.304 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.726 -6.763 -6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.599 -5.938 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.143 -6.295 -4.789 1.00 0.00 H new ATOM 955 N LEU A 61 3.505 -8.216 -5.410 1.00 0.00 N ATOM 956 CA LEU A 61 2.429 -8.589 -6.333 1.00 0.00 C ATOM 957 C LEU A 61 1.709 -7.364 -6.913 1.00 0.00 C ATOM 958 O LEU A 61 0.528 -7.438 -7.247 1.00 0.00 O ATOM 959 CB LEU A 61 1.425 -9.513 -5.630 1.00 0.00 C ATOM 960 CG LEU A 61 1.102 -9.151 -4.174 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.476 -7.767 -4.080 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.180 -10.193 -3.559 1.00 0.00 C ATOM 0 H LEU A 61 3.502 -7.234 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 61 2.887 -9.119 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.496 -9.513 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.815 -10.531 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 61 2.037 -9.138 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.257 -7.537 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.170 -7.026 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.448 -7.746 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.039 -9.921 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.749 -10.238 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.666 -11.168 -3.582 1.00 0.00 H new ATOM 974 N TYR A 62 2.428 -6.249 -7.052 1.00 0.00 N ATOM 975 CA TYR A 62 1.847 -5.021 -7.596 1.00 0.00 C ATOM 976 C TYR A 62 1.357 -5.211 -9.039 1.00 0.00 C ATOM 977 O TYR A 62 0.408 -4.552 -9.467 1.00 0.00 O ATOM 978 CB TYR A 62 2.881 -3.891 -7.540 1.00 0.00 C ATOM 979 CG TYR A 62 2.387 -2.582 -8.112 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.598 -1.727 -7.356 1.00 0.00 C ATOM 981 CD2 TYR A 62 2.709 -2.203 -9.410 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.144 -0.533 -7.875 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.258 -1.007 -9.936 1.00 0.00 C ATOM 984 CZ TYR A 62 1.476 -0.176 -9.165 1.00 0.00 C ATOM 985 OH TYR A 62 1.022 1.016 -9.684 1.00 0.00 O ATOM 0 H TYR A 62 3.412 -6.171 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 62 0.982 -4.762 -6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.178 -3.734 -6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.773 -4.201 -8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.335 -2.001 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.321 -2.853 -10.017 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.530 0.121 -7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.517 -0.726 -10.946 1.00 0.00 H new ATOM 0 HH TYR A 62 1.666 1.353 -10.341 1.00 0.00 H new ATOM 995 N ASN A 63 2.008 -6.117 -9.774 1.00 0.00 N ATOM 996 CA ASN A 63 1.662 -6.387 -11.172 1.00 0.00 C ATOM 997 C ASN A 63 0.181 -6.747 -11.372 1.00 0.00 C ATOM 998 O ASN A 63 -0.537 -6.029 -12.072 1.00 0.00 O ATOM 999 CB ASN A 63 2.562 -7.494 -11.752 1.00 0.00 C ATOM 1000 CG ASN A 63 2.821 -8.644 -10.786 1.00 0.00 C ATOM 1001 OD1 ASN A 63 1.987 -8.970 -9.941 1.00 0.00 O ATOM 1002 ND2 ASN A 63 3.989 -9.266 -10.908 1.00 0.00 N ATOM 0 H ASN A 63 2.782 -6.679 -9.421 1.00 0.00 H new ATOM 0 HA ASN A 63 1.835 -5.457 -11.713 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.100 -7.889 -12.657 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.516 -7.057 -12.046 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.220 -10.043 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.654 -8.967 -11.621 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.277 -7.847 -10.767 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.667 -8.284 -10.930 1.00 0.00 C ATOM 1011 C GLN A 64 -2.581 -7.794 -9.805 1.00 0.00 C ATOM 1012 O GLN A 64 -3.799 -7.903 -9.932 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.742 -9.810 -11.029 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.578 -10.343 -12.445 1.00 0.00 C ATOM 1015 CD GLN A 64 -0.231 -9.997 -13.055 1.00 0.00 C ATOM 1016 OE1 GLN A 64 0.739 -10.742 -12.907 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -0.164 -8.866 -13.749 1.00 0.00 N ATOM 0 H GLN A 64 0.288 -8.446 -10.165 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.025 -7.835 -11.857 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.968 -10.244 -10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.702 -10.144 -10.634 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.700 -11.426 -12.436 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.371 -9.938 -13.074 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.992 -8.278 -13.847 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.715 -8.586 -14.184 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.036 -7.254 -8.718 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.882 -6.798 -7.614 1.00 0.00 C ATOM 1028 C ALA A 65 -3.668 -5.542 -7.990 1.00 0.00 C ATOM 1029 O ALA A 65 -4.823 -5.382 -7.589 1.00 0.00 O ATOM 1030 CB ALA A 65 -2.050 -6.555 -6.367 1.00 0.00 C ATOM 0 H ALA A 65 -1.034 -7.122 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.603 -7.588 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.697 -6.217 -5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.556 -7.481 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.299 -5.793 -6.574 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.036 -4.657 -8.763 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.673 -3.414 -9.199 1.00 0.00 C ATOM 1038 C ARG A 66 -4.888 -3.688 -10.094 1.00 0.00 C ATOM 1039 O ARG A 66 -5.866 -2.939 -10.063 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.660 -2.537 -9.939 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.210 -1.183 -10.361 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.132 -0.306 -10.983 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.539 -0.915 -12.176 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.512 -0.390 -12.851 1.00 0.00 C ATOM 1045 NH1 ARG A 66 0.034 0.760 -12.465 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.031 -1.018 -13.918 1.00 0.00 N ATOM 0 H ARG A 66 -2.081 -4.779 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.025 -2.889 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.792 -2.382 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.312 -3.069 -10.824 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.020 -1.326 -11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.636 -0.677 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.561 0.661 -11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.350 -0.118 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.934 -1.793 -12.512 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.331 1.249 -11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.818 1.153 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.445 -1.899 -14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.753 -0.619 -14.434 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.824 -4.765 -10.884 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.918 -5.123 -11.789 1.00 0.00 C ATOM 1062 C VAL A 67 -6.912 -6.087 -11.131 1.00 0.00 C ATOM 1063 O VAL A 67 -8.117 -5.997 -11.375 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.386 -5.747 -13.102 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.706 -7.084 -12.840 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -6.510 -5.900 -14.118 1.00 0.00 C ATOM 0 H VAL A 67 -4.028 -5.402 -10.914 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.439 -4.195 -12.024 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.639 -5.070 -13.517 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.343 -7.498 -13.781 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.867 -6.938 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.421 -7.774 -12.392 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.115 -6.340 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.285 -6.548 -13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.935 -4.921 -14.340 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.406 -7.003 -10.299 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.258 -7.979 -9.614 1.00 0.00 C ATOM 1078 C LYS A 68 -8.278 -7.290 -8.711 1.00 0.00 C ATOM 1079 O LYS A 68 -9.446 -7.676 -8.677 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.412 -8.946 -8.781 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.782 -10.068 -9.591 1.00 0.00 C ATOM 1082 CD LYS A 68 -4.884 -10.934 -8.723 1.00 0.00 C ATOM 1083 CE LYS A 68 -4.287 -12.090 -9.509 1.00 0.00 C ATOM 1084 NZ LYS A 68 -3.373 -12.916 -8.674 1.00 0.00 N ATOM 0 H LYS A 68 -5.413 -7.089 -10.084 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.793 -8.537 -10.382 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.623 -8.385 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.037 -9.381 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.564 -10.683 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.202 -9.646 -10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.082 -10.324 -8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.457 -11.324 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.089 -12.717 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.741 -11.701 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.987 -13.693 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.593 -12.324 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.899 -13.309 -7.867 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.824 -6.275 -7.977 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.692 -5.532 -7.070 1.00 0.00 C ATOM 1100 C TYR A 69 -8.910 -4.104 -7.565 1.00 0.00 C ATOM 1101 O TYR A 69 -8.101 -3.572 -8.329 1.00 0.00 O ATOM 1102 CB TYR A 69 -8.084 -5.511 -5.665 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.973 -6.878 -5.026 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.986 -7.774 -5.421 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.856 -7.271 -4.030 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.883 -9.022 -4.841 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.758 -8.517 -3.443 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.770 -9.391 -3.851 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.670 -10.635 -3.272 1.00 0.00 O ATOM 0 H TYR A 69 -6.858 -5.949 -7.994 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.660 -6.033 -7.038 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.092 -5.062 -5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.692 -4.870 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.288 -7.489 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.632 -6.592 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.111 -9.707 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.452 -8.807 -2.668 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.379 -10.743 -2.604 1.00 0.00 H new ATOM 1119 N SER A 70 -10.010 -3.491 -7.128 1.00 0.00 N ATOM 1120 CA SER A 70 -10.336 -2.122 -7.521 1.00 0.00 C ATOM 1121 C SER A 70 -9.493 -1.113 -6.737 1.00 0.00 C ATOM 1122 O SER A 70 -9.941 -0.560 -5.730 1.00 0.00 O ATOM 1123 CB SER A 70 -11.829 -1.845 -7.312 1.00 0.00 C ATOM 1124 OG SER A 70 -12.192 -0.575 -7.827 1.00 0.00 O ATOM 0 H SER A 70 -10.690 -3.922 -6.502 1.00 0.00 H new ATOM 0 HA SER A 70 -10.105 -2.010 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.417 -2.621 -7.802 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.065 -1.890 -6.249 1.00 0.00 H new ATOM 0 HG SER A 70 -13.149 -0.425 -7.682 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.262 -0.894 -7.203 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.345 0.046 -6.560 1.00 0.00 C ATOM 1132 C LEU A 71 -7.147 1.277 -7.440 1.00 0.00 C ATOM 1133 O LEU A 71 -7.554 2.382 -7.076 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.994 -0.626 -6.279 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.971 -1.586 -5.084 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.967 -2.715 -5.281 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.571 -2.145 -4.875 1.00 0.00 C ATOM 0 H LEU A 71 -7.877 -1.357 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.781 0.358 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.689 -1.175 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.249 0.152 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.258 -1.027 -4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.934 -3.384 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.971 -2.302 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.713 -3.271 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.574 -2.824 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.258 -2.685 -5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.877 -1.326 -4.684 1.00 0.00 H new