USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 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 18 SER OG : rot -13:sc= 0.117 USER MOD Set 1.2: A 40 TYR OH : rot 169:sc= 0.409 USER MOD Set 1.3: A 71 THR OG1 : rot 0:sc= -0.413 USER MOD Single : A 2 THR OG1 : rot -36:sc= 0.201 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.024) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 19 GLN : amide:sc= -3.36! K(o=-3.4!,f=-0.67) USER MOD Single : A 20 SER OG : rot 180:sc= -0.029 USER MOD Single : A 26 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.36) USER MOD Single : A 35 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.12) USER MOD Single : A 36 GLN : amide:sc= -0.449 X(o=-0.45,f=0) 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) USER MOD Single : A 43 SER OG : rot 0:sc= 0.889 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -148:sc= -0.311 (180deg=-2.1) 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= -0.584 K(o=-0.58,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= -0.654 (180deg=-0.654) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.44) USER MOD Single : A 74 ASN : amide:sc= 0.547 K(o=0.55,f=-3.2!) USER MOD Single : A 76 GLN : amide:sc= -0.855 K(o=-0.86,f=-0.0067) USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0.115 (180deg=0.058) USER MOD Single : A 83 GLN : amide:sc= 0.21 X(o=0.21,f=-0.07) USER MOD Single : A 84 GLN : amide:sc= 0.073 X(o=0.073,f=-0.048) USER MOD Single : A 90 SER OG : rot 90:sc= 0.33 USER MOD Single : A1001 MET CE :methyl 159:sc= -0.393 (180deg=-1.52) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -77:sc= 0.991 USER MOD Single : A1010 THR OG1 : rot 74:sc= 0.248 USER MOD Single : A1014 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 MET CE :methyl 176:sc= -3.61! (180deg=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 3.028 -4.022 23.111 1.00 72.25 N ATOM 21 CA THR A 2 1.978 -3.361 22.291 1.00 2.44 C ATOM 22 C THR A 2 2.557 -2.828 20.965 1.00 0.14 C ATOM 23 O THR A 2 1.947 -2.996 19.903 1.00 62.31 O ATOM 24 CB THR A 2 1.270 -2.213 23.086 1.00 2.34 C ATOM 25 OG1 THR A 2 2.264 -1.380 23.716 1.00 65.25 O ATOM 26 CG2 THR A 2 0.297 -2.758 24.150 1.00 3.25 C ATOM 0 HA THR A 2 1.229 -4.116 22.054 1.00 2.44 H new ATOM 0 HB THR A 2 0.685 -1.629 22.376 1.00 2.34 H new ATOM 0 HG1 THR A 2 3.015 -1.935 24.014 1.00 65.25 H new ATOM 0 HG21 THR A 2 -0.170 -1.926 24.676 1.00 3.25 H new ATOM 0 HG22 THR A 2 -0.472 -3.359 23.666 1.00 3.25 H new ATOM 0 HG23 THR A 2 0.845 -3.375 24.862 1.00 3.25 H new ATOM 34 N SER A 3 3.767 -2.238 21.046 1.00 75.41 N ATOM 35 CA SER A 3 4.523 -1.770 19.867 1.00 41.03 C ATOM 36 C SER A 3 4.806 -2.942 18.905 1.00 13.10 C ATOM 37 O SER A 3 4.572 -2.818 17.710 1.00 0.52 O ATOM 38 CB SER A 3 5.843 -1.092 20.305 1.00 54.15 C ATOM 39 OG SER A 3 6.641 -0.714 19.190 1.00 21.24 O ATOM 0 H SER A 3 4.247 -2.073 21.931 1.00 75.41 H new ATOM 0 HA SER A 3 3.918 -1.033 19.339 1.00 41.03 H new ATOM 0 HB2 SER A 3 5.617 -0.210 20.905 1.00 54.15 H new ATOM 0 HB3 SER A 3 6.408 -1.774 20.941 1.00 54.15 H new ATOM 0 HG SER A 3 7.465 -0.288 19.507 1.00 21.24 H new ATOM 45 N THR A 4 5.281 -4.073 19.470 1.00 12.24 N ATOM 46 CA THR A 4 5.582 -5.316 18.726 1.00 50.41 C ATOM 47 C THR A 4 4.345 -5.848 17.969 1.00 11.53 C ATOM 48 O THR A 4 4.396 -6.041 16.743 1.00 4.31 O ATOM 49 CB THR A 4 6.125 -6.408 19.717 1.00 13.21 C ATOM 50 OG1 THR A 4 7.357 -5.960 20.303 1.00 42.50 O ATOM 51 CG2 THR A 4 6.332 -7.793 19.063 1.00 21.44 C ATOM 0 H THR A 4 5.469 -4.150 20.470 1.00 12.24 H new ATOM 0 HA THR A 4 6.344 -5.086 17.982 1.00 50.41 H new ATOM 0 HB THR A 4 5.359 -6.539 20.482 1.00 13.21 H new ATOM 0 HG1 THR A 4 7.692 -6.642 20.922 1.00 42.50 H new ATOM 0 HG21 THR A 4 6.708 -8.494 19.808 1.00 21.44 H new ATOM 0 HG22 THR A 4 5.382 -8.155 18.670 1.00 21.44 H new ATOM 0 HG23 THR A 4 7.052 -7.707 18.249 1.00 21.44 H new ATOM 59 N VAL A 5 3.238 -6.041 18.717 1.00 73.34 N ATOM 60 CA VAL A 5 1.993 -6.616 18.190 1.00 13.33 C ATOM 61 C VAL A 5 1.468 -5.753 17.041 1.00 44.32 C ATOM 62 O VAL A 5 1.349 -6.239 15.918 1.00 1.53 O ATOM 63 CB VAL A 5 0.888 -6.761 19.307 1.00 30.43 C ATOM 64 CG1 VAL A 5 -0.442 -7.312 18.728 1.00 41.23 C ATOM 65 CG2 VAL A 5 1.383 -7.651 20.470 1.00 62.43 C ATOM 0 H VAL A 5 3.188 -5.800 19.707 1.00 73.34 H new ATOM 0 HA VAL A 5 2.220 -7.617 17.824 1.00 13.33 H new ATOM 0 HB VAL A 5 0.694 -5.762 19.698 1.00 30.43 H new ATOM 0 HG11 VAL A 5 -1.179 -7.398 19.527 1.00 41.23 H new ATOM 0 HG12 VAL A 5 -0.815 -6.632 17.962 1.00 41.23 H new ATOM 0 HG13 VAL A 5 -0.268 -8.294 18.288 1.00 41.23 H new ATOM 0 HG21 VAL A 5 0.600 -7.733 21.224 1.00 62.43 H new ATOM 0 HG22 VAL A 5 1.626 -8.643 20.091 1.00 62.43 H new ATOM 0 HG23 VAL A 5 2.272 -7.205 20.916 1.00 62.43 H new ATOM 75 N GLU A 6 1.239 -4.453 17.325 1.00 24.54 N ATOM 76 CA GLU A 6 0.696 -3.510 16.333 1.00 32.53 C ATOM 77 C GLU A 6 1.591 -3.442 15.081 1.00 73.52 C ATOM 78 O GLU A 6 1.088 -3.537 13.978 1.00 0.33 O ATOM 79 CB GLU A 6 0.512 -2.101 16.951 1.00 42.24 C ATOM 80 CG GLU A 6 -0.497 -2.046 18.118 1.00 23.20 C ATOM 81 CD GLU A 6 -0.640 -0.641 18.731 1.00 54.12 C ATOM 82 OE1 GLU A 6 -1.700 0.004 18.541 1.00 2.21 O ATOM 83 OE2 GLU A 6 0.311 -0.167 19.401 1.00 65.40 O ATOM 0 H GLU A 6 1.424 -4.035 18.237 1.00 24.54 H new ATOM 0 HA GLU A 6 -0.283 -3.879 16.027 1.00 32.53 H new ATOM 0 HB2 GLU A 6 1.479 -1.743 17.305 1.00 42.24 H new ATOM 0 HB3 GLU A 6 0.184 -1.415 16.170 1.00 42.24 H new ATOM 0 HG2 GLU A 6 -1.472 -2.381 17.763 1.00 23.20 H new ATOM 0 HG3 GLU A 6 -0.183 -2.744 18.894 1.00 23.20 H new ATOM 90 N PHE A 7 2.916 -3.354 15.282 1.00 72.03 N ATOM 91 CA PHE A 7 3.900 -3.193 14.184 1.00 73.35 C ATOM 92 C PHE A 7 3.835 -4.384 13.196 1.00 13.43 C ATOM 93 O PHE A 7 3.602 -4.190 11.995 1.00 55.55 O ATOM 94 CB PHE A 7 5.321 -3.050 14.791 1.00 43.04 C ATOM 95 CG PHE A 7 6.395 -2.497 13.863 1.00 24.14 C ATOM 96 CD1 PHE A 7 7.532 -3.239 13.541 1.00 1.51 C ATOM 97 CD2 PHE A 7 6.288 -1.202 13.356 1.00 71.22 C ATOM 98 CE1 PHE A 7 8.522 -2.701 12.742 1.00 43.05 C ATOM 99 CE2 PHE A 7 7.275 -0.671 12.553 1.00 5.14 C ATOM 100 CZ PHE A 7 8.392 -1.420 12.251 1.00 12.04 C ATOM 0 H PHE A 7 3.341 -3.392 16.208 1.00 72.03 H new ATOM 0 HA PHE A 7 3.659 -2.293 13.618 1.00 73.35 H new ATOM 0 HB2 PHE A 7 5.257 -2.402 15.665 1.00 43.04 H new ATOM 0 HB3 PHE A 7 5.644 -4.030 15.143 1.00 43.04 H new ATOM 0 HD1 PHE A 7 7.639 -4.244 13.920 1.00 1.51 H new ATOM 0 HD2 PHE A 7 5.419 -0.607 13.596 1.00 71.22 H new ATOM 0 HE1 PHE A 7 9.398 -3.285 12.502 1.00 43.05 H new ATOM 0 HE2 PHE A 7 7.173 0.330 12.161 1.00 5.14 H new ATOM 0 HZ PHE A 7 9.168 -1.001 11.627 1.00 12.04 H new ATOM 110 N ILE A 8 3.990 -5.611 13.736 1.00 1.11 N ATOM 111 CA ILE A 8 3.978 -6.863 12.939 1.00 60.14 C ATOM 112 C ILE A 8 2.601 -7.088 12.279 1.00 2.44 C ATOM 113 O ILE A 8 2.526 -7.467 11.105 1.00 71.21 O ATOM 114 CB ILE A 8 4.344 -8.109 13.831 1.00 64.45 C ATOM 115 CG1 ILE A 8 5.737 -7.919 14.503 1.00 34.33 C ATOM 116 CG2 ILE A 8 4.310 -9.432 13.015 1.00 21.01 C ATOM 117 CD1 ILE A 8 6.075 -8.963 15.550 1.00 74.32 C ATOM 0 H ILE A 8 4.127 -5.765 14.735 1.00 1.11 H new ATOM 0 HA ILE A 8 4.731 -6.755 12.158 1.00 60.14 H new ATOM 0 HB ILE A 8 3.587 -8.182 14.612 1.00 64.45 H new ATOM 0 HG12 ILE A 8 6.505 -7.935 13.730 1.00 34.33 H new ATOM 0 HG13 ILE A 8 5.772 -6.933 14.966 1.00 34.33 H new ATOM 0 HG21 ILE A 8 4.568 -10.268 13.666 1.00 21.01 H new ATOM 0 HG22 ILE A 8 3.310 -9.584 12.609 1.00 21.01 H new ATOM 0 HG23 ILE A 8 5.028 -9.374 12.197 1.00 21.01 H new ATOM 0 HD11 ILE A 8 7.061 -8.755 15.966 1.00 74.32 H new ATOM 0 HD12 ILE A 8 5.331 -8.934 16.346 1.00 74.32 H new ATOM 0 HD13 ILE A 8 6.076 -9.952 15.091 1.00 74.32 H new ATOM 129 N ASN A 9 1.522 -6.830 13.050 1.00 74.03 N ATOM 130 CA ASN A 9 0.130 -7.040 12.588 1.00 31.53 C ATOM 131 C ASN A 9 -0.228 -6.054 11.460 1.00 30.21 C ATOM 132 O ASN A 9 -0.939 -6.419 10.516 1.00 52.13 O ATOM 133 CB ASN A 9 -0.896 -6.901 13.760 1.00 44.11 C ATOM 134 CG ASN A 9 -0.913 -8.064 14.773 1.00 3.30 C ATOM 135 OD1 ASN A 9 -1.975 -8.428 15.288 1.00 31.44 O ATOM 136 ND2 ASN A 9 0.246 -8.623 15.115 1.00 54.50 N ATOM 0 H ASN A 9 1.589 -6.473 14.003 1.00 74.03 H new ATOM 0 HA ASN A 9 0.070 -8.058 12.203 1.00 31.53 H new ATOM 0 HB2 ASN A 9 -0.683 -5.977 14.298 1.00 44.11 H new ATOM 0 HB3 ASN A 9 -1.894 -6.799 13.335 1.00 44.11 H new ATOM 0 HD21 ASN A 9 0.267 -9.366 15.814 1.00 54.50 H new ATOM 0 HD22 ASN A 9 1.112 -8.308 14.678 1.00 54.50 H new ATOM 143 N ARG A 10 0.275 -4.807 11.564 1.00 50.01 N ATOM 144 CA ARG A 10 0.009 -3.755 10.566 1.00 60.24 C ATOM 145 C ARG A 10 0.762 -4.056 9.279 1.00 3.34 C ATOM 146 O ARG A 10 0.162 -4.038 8.217 1.00 10.42 O ATOM 147 CB ARG A 10 0.353 -2.346 11.116 1.00 32.33 C ATOM 148 CG ARG A 10 -0.651 -1.839 12.174 1.00 64.22 C ATOM 149 CD ARG A 10 -0.129 -0.654 13.004 1.00 71.22 C ATOM 150 NE ARG A 10 -1.085 -0.311 14.066 1.00 45.12 N ATOM 151 CZ ARG A 10 -1.010 0.748 14.879 1.00 24.15 C ATOM 152 NH1 ARG A 10 -0.023 1.629 14.787 1.00 54.21 N ATOM 153 NH2 ARG A 10 -1.960 0.927 15.779 1.00 61.23 N ATOM 0 H ARG A 10 0.871 -4.504 12.335 1.00 50.01 H new ATOM 0 HA ARG A 10 -1.058 -3.751 10.345 1.00 60.24 H new ATOM 0 HB2 ARG A 10 1.351 -2.369 11.554 1.00 32.33 H new ATOM 0 HB3 ARG A 10 0.385 -1.638 10.287 1.00 32.33 H new ATOM 0 HG2 ARG A 10 -1.573 -1.543 11.674 1.00 64.22 H new ATOM 0 HG3 ARG A 10 -0.902 -2.659 12.846 1.00 64.22 H new ATOM 0 HD2 ARG A 10 0.836 -0.906 13.443 1.00 71.22 H new ATOM 0 HD3 ARG A 10 0.031 0.209 12.357 1.00 71.22 H new ATOM 0 HE ARG A 10 -1.879 -0.938 14.195 1.00 45.12 H new ATOM 0 HH11 ARG A 10 0.705 1.508 14.082 1.00 54.21 H new ATOM 0 HH12 ARG A 10 0.009 2.428 15.421 1.00 54.21 H new ATOM 0 HH21 ARG A 10 -2.732 0.264 15.844 1.00 61.23 H new ATOM 0 HH22 ARG A 10 -1.921 1.728 16.409 1.00 61.23 H new ATOM 167 N TRP A 11 2.061 -4.387 9.384 1.00 25.20 N ATOM 168 CA TRP A 11 2.854 -4.812 8.213 1.00 40.25 C ATOM 169 C TRP A 11 2.226 -6.047 7.535 1.00 62.13 C ATOM 170 O TRP A 11 2.188 -6.124 6.296 1.00 62.15 O ATOM 171 CB TRP A 11 4.334 -5.080 8.594 1.00 54.12 C ATOM 172 CG TRP A 11 5.142 -3.822 8.786 1.00 53.03 C ATOM 173 CD1 TRP A 11 5.750 -3.391 9.924 1.00 44.33 C ATOM 174 CD2 TRP A 11 5.406 -2.815 7.792 1.00 71.41 C ATOM 175 NE1 TRP A 11 6.391 -2.205 9.696 1.00 1.13 N ATOM 176 CE2 TRP A 11 6.190 -1.824 8.405 1.00 34.45 C ATOM 177 CE3 TRP A 11 5.060 -2.660 6.447 1.00 10.12 C ATOM 178 CZ2 TRP A 11 6.631 -0.691 7.732 1.00 33.13 C ATOM 179 CZ3 TRP A 11 5.493 -1.536 5.777 1.00 4.22 C ATOM 180 CH2 TRP A 11 6.274 -0.565 6.421 1.00 2.24 C ATOM 0 H TRP A 11 2.583 -4.369 10.260 1.00 25.20 H new ATOM 0 HA TRP A 11 2.842 -3.991 7.496 1.00 40.25 H new ATOM 0 HB2 TRP A 11 4.364 -5.666 9.513 1.00 54.12 H new ATOM 0 HB3 TRP A 11 4.798 -5.685 7.815 1.00 54.12 H new ATOM 0 HD1 TRP A 11 5.729 -3.910 10.871 1.00 44.33 H new ATOM 0 HE1 TRP A 11 6.935 -1.687 10.386 1.00 1.13 H new ATOM 0 HE3 TRP A 11 4.465 -3.407 5.942 1.00 10.12 H new ATOM 0 HZ2 TRP A 11 7.231 0.059 8.226 1.00 33.13 H new ATOM 0 HZ3 TRP A 11 5.227 -1.401 4.739 1.00 4.22 H new ATOM 0 HH2 TRP A 11 6.600 0.302 5.866 1.00 2.24 H new ATOM 191 N GLN A 12 1.702 -6.979 8.363 1.00 54.21 N ATOM 192 CA GLN A 12 1.017 -8.187 7.879 1.00 43.43 C ATOM 193 C GLN A 12 -0.175 -7.796 7.000 1.00 23.13 C ATOM 194 O GLN A 12 -0.209 -8.146 5.822 1.00 74.31 O ATOM 195 CB GLN A 12 0.536 -9.088 9.054 1.00 73.34 C ATOM 196 CG GLN A 12 -0.152 -10.397 8.601 1.00 61.34 C ATOM 197 CD GLN A 12 -0.775 -11.219 9.735 1.00 3.32 C ATOM 198 OE1 GLN A 12 -1.205 -10.683 10.756 1.00 23.34 O ATOM 199 NE2 GLN A 12 -0.855 -12.524 9.553 1.00 50.51 N ATOM 0 H GLN A 12 1.745 -6.911 9.380 1.00 54.21 H new ATOM 0 HA GLN A 12 1.733 -8.761 7.291 1.00 43.43 H new ATOM 0 HB2 GLN A 12 1.392 -9.338 9.681 1.00 73.34 H new ATOM 0 HB3 GLN A 12 -0.158 -8.520 9.673 1.00 73.34 H new ATOM 0 HG2 GLN A 12 -0.930 -10.151 7.879 1.00 61.34 H new ATOM 0 HG3 GLN A 12 0.580 -11.016 8.082 1.00 61.34 H new ATOM 0 HE21 GLN A 12 -0.491 -12.943 8.697 1.00 50.51 H new ATOM 0 HE22 GLN A 12 -1.281 -13.113 10.268 1.00 50.51 H new ATOM 208 N ARG A 13 -1.110 -7.005 7.574 1.00 60.21 N ATOM 209 CA ARG A 13 -2.356 -6.620 6.885 1.00 34.22 C ATOM 210 C ARG A 13 -2.081 -5.717 5.669 1.00 23.24 C ATOM 211 O ARG A 13 -2.875 -5.703 4.753 1.00 43.23 O ATOM 212 CB ARG A 13 -3.376 -5.940 7.843 1.00 3.40 C ATOM 213 CG ARG A 13 -2.917 -4.601 8.450 1.00 31.22 C ATOM 214 CD ARG A 13 -4.031 -3.841 9.196 1.00 1.44 C ATOM 215 NE ARG A 13 -5.069 -3.338 8.274 1.00 50.50 N ATOM 216 CZ ARG A 13 -5.947 -2.351 8.546 1.00 4.52 C ATOM 217 NH1 ARG A 13 -5.945 -1.735 9.730 1.00 23.43 N ATOM 218 NH2 ARG A 13 -6.811 -1.974 7.615 1.00 41.11 N ATOM 0 H ARG A 13 -1.022 -6.622 8.515 1.00 60.21 H new ATOM 0 HA ARG A 13 -2.803 -7.548 6.529 1.00 34.22 H new ATOM 0 HB2 ARG A 13 -4.306 -5.774 7.299 1.00 3.40 H new ATOM 0 HB3 ARG A 13 -3.602 -6.630 8.656 1.00 3.40 H new ATOM 0 HG2 ARG A 13 -2.094 -4.789 9.139 1.00 31.22 H new ATOM 0 HG3 ARG A 13 -2.528 -3.966 7.654 1.00 31.22 H new ATOM 0 HD2 ARG A 13 -4.489 -4.501 9.933 1.00 1.44 H new ATOM 0 HD3 ARG A 13 -3.596 -3.005 9.743 1.00 1.44 H new ATOM 0 HE ARG A 13 -5.127 -3.774 7.354 1.00 50.50 H new ATOM 0 HH11 ARG A 13 -5.272 -2.009 10.446 1.00 23.43 H new ATOM 0 HH12 ARG A 13 -6.616 -0.990 9.919 1.00 23.43 H new ATOM 0 HH21 ARG A 13 -6.808 -2.429 6.702 1.00 41.11 H new ATOM 0 HH22 ARG A 13 -7.479 -1.229 7.811 1.00 41.11 H new ATOM 232 N ILE A 14 -0.950 -4.974 5.678 1.00 63.42 N ATOM 233 CA ILE A 14 -0.523 -4.128 4.532 1.00 41.20 C ATOM 234 C ILE A 14 -0.076 -5.014 3.358 1.00 51.53 C ATOM 235 O ILE A 14 -0.414 -4.736 2.209 1.00 50.23 O ATOM 236 CB ILE A 14 0.633 -3.129 4.951 1.00 31.10 C ATOM 237 CG1 ILE A 14 0.106 -2.062 5.943 1.00 21.34 C ATOM 238 CG2 ILE A 14 1.294 -2.425 3.744 1.00 64.23 C ATOM 239 CD1 ILE A 14 1.180 -1.164 6.512 1.00 73.11 C ATOM 0 H ILE A 14 -0.310 -4.942 6.472 1.00 63.42 H new ATOM 0 HA ILE A 14 -1.377 -3.529 4.216 1.00 41.20 H new ATOM 0 HB ILE A 14 1.397 -3.740 5.433 1.00 31.10 H new ATOM 0 HG12 ILE A 14 -0.637 -1.446 5.436 1.00 21.34 H new ATOM 0 HG13 ILE A 14 -0.404 -2.566 6.764 1.00 21.34 H new ATOM 0 HG21 ILE A 14 2.077 -1.755 4.098 1.00 64.23 H new ATOM 0 HG22 ILE A 14 1.729 -3.172 3.080 1.00 64.23 H new ATOM 0 HG23 ILE A 14 0.543 -1.851 3.202 1.00 64.23 H new ATOM 0 HD11 ILE A 14 0.729 -0.446 7.197 1.00 73.11 H new ATOM 0 HD12 ILE A 14 1.912 -1.767 7.049 1.00 73.11 H new ATOM 0 HD13 ILE A 14 1.675 -0.630 5.701 1.00 73.11 H new ATOM 251 N ALA A 15 0.671 -6.090 3.662 1.00 32.13 N ATOM 252 CA ALA A 15 1.102 -7.074 2.647 1.00 11.13 C ATOM 253 C ALA A 15 -0.115 -7.840 2.079 1.00 32.52 C ATOM 254 O ALA A 15 -0.217 -8.051 0.860 1.00 41.45 O ATOM 255 CB ALA A 15 2.142 -8.035 3.240 1.00 23.54 C ATOM 0 H ALA A 15 0.991 -6.303 4.607 1.00 32.13 H new ATOM 0 HA ALA A 15 1.572 -6.541 1.821 1.00 11.13 H new ATOM 0 HB1 ALA A 15 2.449 -8.753 2.480 1.00 23.54 H new ATOM 0 HB2 ALA A 15 3.011 -7.469 3.576 1.00 23.54 H new ATOM 0 HB3 ALA A 15 1.706 -8.566 4.086 1.00 23.54 H new ATOM 261 N LEU A 16 -1.053 -8.207 2.982 1.00 14.22 N ATOM 262 CA LEU A 16 -2.289 -8.931 2.625 1.00 1.35 C ATOM 263 C LEU A 16 -3.204 -8.039 1.762 1.00 61.22 C ATOM 264 O LEU A 16 -3.777 -8.502 0.771 1.00 62.00 O ATOM 265 CB LEU A 16 -3.048 -9.396 3.900 1.00 31.31 C ATOM 266 CG LEU A 16 -2.272 -10.318 4.896 1.00 54.54 C ATOM 267 CD1 LEU A 16 -3.120 -10.617 6.152 1.00 52.21 C ATOM 268 CD2 LEU A 16 -1.781 -11.616 4.221 1.00 45.34 C ATOM 0 H LEU A 16 -0.972 -8.008 3.979 1.00 14.22 H new ATOM 0 HA LEU A 16 -2.009 -9.813 2.050 1.00 1.35 H new ATOM 0 HB2 LEU A 16 -3.372 -8.508 4.443 1.00 31.31 H new ATOM 0 HB3 LEU A 16 -3.949 -9.922 3.584 1.00 31.31 H new ATOM 0 HG LEU A 16 -1.383 -9.774 5.215 1.00 54.54 H new ATOM 0 HD11 LEU A 16 -2.556 -11.260 6.827 1.00 52.21 H new ATOM 0 HD12 LEU A 16 -3.362 -9.683 6.658 1.00 52.21 H new ATOM 0 HD13 LEU A 16 -4.041 -11.119 5.858 1.00 52.21 H new ATOM 0 HD21 LEU A 16 -1.247 -12.226 4.950 1.00 45.34 H new ATOM 0 HD22 LEU A 16 -2.636 -12.173 3.838 1.00 45.34 H new ATOM 0 HD23 LEU A 16 -1.112 -11.367 3.397 1.00 45.34 H new ATOM 280 N LEU A 17 -3.318 -6.751 2.154 1.00 43.04 N ATOM 281 CA LEU A 17 -4.133 -5.757 1.428 1.00 40.44 C ATOM 282 C LEU A 17 -3.519 -5.477 0.055 1.00 54.33 C ATOM 283 O LEU A 17 -4.221 -5.509 -0.926 1.00 32.31 O ATOM 284 CB LEU A 17 -4.303 -4.430 2.239 1.00 61.11 C ATOM 285 CG LEU A 17 -5.361 -4.453 3.396 1.00 60.24 C ATOM 286 CD1 LEU A 17 -5.229 -3.214 4.315 1.00 12.33 C ATOM 287 CD2 LEU A 17 -6.797 -4.578 2.834 1.00 24.03 C ATOM 0 H LEU A 17 -2.850 -6.374 2.978 1.00 43.04 H new ATOM 0 HA LEU A 17 -5.129 -6.179 1.295 1.00 40.44 H new ATOM 0 HB2 LEU A 17 -3.336 -4.163 2.665 1.00 61.11 H new ATOM 0 HB3 LEU A 17 -4.574 -3.636 1.543 1.00 61.11 H new ATOM 0 HG LEU A 17 -5.159 -5.334 4.005 1.00 60.24 H new ATOM 0 HD11 LEU A 17 -5.979 -3.265 5.105 1.00 12.33 H new ATOM 0 HD12 LEU A 17 -4.234 -3.195 4.760 1.00 12.33 H new ATOM 0 HD13 LEU A 17 -5.381 -2.308 3.728 1.00 12.33 H new ATOM 0 HD21 LEU A 17 -7.510 -4.592 3.658 1.00 24.03 H new ATOM 0 HD22 LEU A 17 -7.009 -3.729 2.185 1.00 24.03 H new ATOM 0 HD23 LEU A 17 -6.885 -5.502 2.263 1.00 24.03 H new ATOM 299 N SER A 18 -2.198 -5.260 -0.008 1.00 61.50 N ATOM 300 CA SER A 18 -1.519 -4.908 -1.270 1.00 75.11 C ATOM 301 C SER A 18 -1.613 -6.050 -2.297 1.00 22.21 C ATOM 302 O SER A 18 -1.811 -5.791 -3.485 1.00 65.41 O ATOM 303 CB SER A 18 -0.046 -4.533 -1.017 1.00 34.02 C ATOM 304 OG SER A 18 0.664 -5.597 -0.408 1.00 32.30 O ATOM 0 H SER A 18 -1.576 -5.321 0.798 1.00 61.50 H new ATOM 0 HA SER A 18 -2.031 -4.040 -1.685 1.00 75.11 H new ATOM 0 HB2 SER A 18 0.431 -4.270 -1.961 1.00 34.02 H new ATOM 0 HB3 SER A 18 0.001 -3.651 -0.379 1.00 34.02 H new ATOM 0 HG SER A 18 0.030 -6.269 -0.081 1.00 32.30 H new ATOM 310 N GLN A 19 -1.490 -7.313 -1.827 1.00 65.52 N ATOM 311 CA GLN A 19 -1.547 -8.489 -2.722 1.00 71.53 C ATOM 312 C GLN A 19 -2.998 -8.804 -3.150 1.00 23.42 C ATOM 313 O GLN A 19 -3.229 -9.201 -4.302 1.00 64.44 O ATOM 314 CB GLN A 19 -0.848 -9.721 -2.077 1.00 54.11 C ATOM 315 CG GLN A 19 -1.622 -10.425 -0.945 1.00 12.33 C ATOM 316 CD GLN A 19 -0.814 -11.524 -0.243 1.00 0.41 C ATOM 317 OE1 GLN A 19 0.069 -12.145 -0.835 1.00 50.33 O ATOM 318 NE2 GLN A 19 -1.147 -11.811 1.000 1.00 34.25 N ATOM 0 H GLN A 19 -1.352 -7.541 -0.843 1.00 65.52 H new ATOM 0 HA GLN A 19 -0.995 -8.244 -3.630 1.00 71.53 H new ATOM 0 HB2 GLN A 19 -0.648 -10.451 -2.861 1.00 54.11 H new ATOM 0 HB3 GLN A 19 0.118 -9.401 -1.685 1.00 54.11 H new ATOM 0 HG2 GLN A 19 -1.927 -9.682 -0.208 1.00 12.33 H new ATOM 0 HG3 GLN A 19 -2.533 -10.861 -1.355 1.00 12.33 H new ATOM 0 HE21 GLN A 19 -1.882 -11.280 1.466 1.00 34.25 H new ATOM 0 HE22 GLN A 19 -0.669 -12.564 1.495 1.00 34.25 H new ATOM 327 N SER A 20 -3.974 -8.592 -2.233 1.00 44.21 N ATOM 328 CA SER A 20 -5.401 -8.820 -2.532 1.00 54.22 C ATOM 329 C SER A 20 -5.899 -7.756 -3.522 1.00 21.41 C ATOM 330 O SER A 20 -6.478 -8.091 -4.559 1.00 32.20 O ATOM 331 CB SER A 20 -6.259 -8.815 -1.241 1.00 64.13 C ATOM 332 OG SER A 20 -6.193 -7.570 -0.565 1.00 11.33 O ATOM 0 H SER A 20 -3.795 -8.264 -1.284 1.00 44.21 H new ATOM 0 HA SER A 20 -5.505 -9.806 -2.985 1.00 54.22 H new ATOM 0 HB2 SER A 20 -7.296 -9.036 -1.494 1.00 64.13 H new ATOM 0 HB3 SER A 20 -5.917 -9.608 -0.575 1.00 64.13 H new ATOM 0 HG SER A 20 -6.748 -7.606 0.242 1.00 11.33 H new ATOM 338 N LEU A 21 -5.628 -6.476 -3.183 1.00 2.25 N ATOM 339 CA LEU A 21 -5.901 -5.304 -4.037 1.00 74.42 C ATOM 340 C LEU A 21 -5.186 -5.421 -5.389 1.00 34.11 C ATOM 341 O LEU A 21 -5.705 -4.943 -6.392 1.00 31.24 O ATOM 342 CB LEU A 21 -5.470 -3.981 -3.336 1.00 11.32 C ATOM 343 CG LEU A 21 -6.283 -3.551 -2.070 1.00 42.14 C ATOM 344 CD1 LEU A 21 -5.592 -2.375 -1.336 1.00 74.34 C ATOM 345 CD2 LEU A 21 -7.738 -3.205 -2.435 1.00 24.33 C ATOM 0 H LEU A 21 -5.205 -6.226 -2.289 1.00 2.25 H new ATOM 0 HA LEU A 21 -6.977 -5.279 -4.208 1.00 74.42 H new ATOM 0 HB2 LEU A 21 -4.422 -4.075 -3.050 1.00 11.32 H new ATOM 0 HB3 LEU A 21 -5.530 -3.175 -4.067 1.00 11.32 H new ATOM 0 HG LEU A 21 -6.308 -4.399 -1.386 1.00 42.14 H new ATOM 0 HD11 LEU A 21 -6.179 -2.097 -0.461 1.00 74.34 H new ATOM 0 HD12 LEU A 21 -4.593 -2.679 -1.022 1.00 74.34 H new ATOM 0 HD13 LEU A 21 -5.517 -1.520 -2.008 1.00 74.34 H new ATOM 0 HD21 LEU A 21 -8.278 -2.910 -1.536 1.00 24.33 H new ATOM 0 HD22 LEU A 21 -7.748 -2.383 -3.151 1.00 24.33 H new ATOM 0 HD23 LEU A 21 -8.219 -4.077 -2.878 1.00 24.33 H new ATOM 357 N LEU A 22 -3.980 -6.028 -5.407 1.00 73.24 N ATOM 358 CA LEU A 22 -3.257 -6.277 -6.668 1.00 35.30 C ATOM 359 C LEU A 22 -4.058 -7.228 -7.554 1.00 64.20 C ATOM 360 O LEU A 22 -4.292 -6.933 -8.722 1.00 1.15 O ATOM 361 CB LEU A 22 -1.840 -6.851 -6.429 1.00 23.31 C ATOM 362 CG LEU A 22 -1.075 -7.303 -7.716 1.00 2.43 C ATOM 363 CD1 LEU A 22 -0.965 -6.158 -8.750 1.00 63.12 C ATOM 364 CD2 LEU A 22 0.298 -7.896 -7.367 1.00 22.53 C ATOM 0 H LEU A 22 -3.493 -6.351 -4.571 1.00 73.24 H new ATOM 0 HA LEU A 22 -3.141 -5.315 -7.168 1.00 35.30 H new ATOM 0 HB2 LEU A 22 -1.242 -6.097 -5.917 1.00 23.31 H new ATOM 0 HB3 LEU A 22 -1.921 -7.705 -5.756 1.00 23.31 H new ATOM 0 HG LEU A 22 -1.660 -8.094 -8.185 1.00 2.43 H new ATOM 0 HD11 LEU A 22 -0.427 -6.512 -9.629 1.00 63.12 H new ATOM 0 HD12 LEU A 22 -1.964 -5.834 -9.042 1.00 63.12 H new ATOM 0 HD13 LEU A 22 -0.426 -5.320 -8.309 1.00 63.12 H new ATOM 0 HD21 LEU A 22 0.806 -8.201 -8.282 1.00 22.53 H new ATOM 0 HD22 LEU A 22 0.898 -7.146 -6.852 1.00 22.53 H new ATOM 0 HD23 LEU A 22 0.166 -8.763 -6.719 1.00 22.53 H new ATOM 376 N GLU A 23 -4.487 -8.356 -6.972 1.00 41.41 N ATOM 377 CA GLU A 23 -5.281 -9.364 -7.693 1.00 1.04 C ATOM 378 C GLU A 23 -6.667 -8.808 -8.091 1.00 5.33 C ATOM 379 O GLU A 23 -7.256 -9.262 -9.072 1.00 71.30 O ATOM 380 CB GLU A 23 -5.386 -10.649 -6.840 1.00 11.33 C ATOM 381 CG GLU A 23 -4.025 -11.339 -6.608 1.00 73.33 C ATOM 382 CD GLU A 23 -4.095 -12.580 -5.707 1.00 62.10 C ATOM 383 OE1 GLU A 23 -4.388 -13.685 -6.218 1.00 14.32 O ATOM 384 OE2 GLU A 23 -3.854 -12.453 -4.482 1.00 34.20 O ATOM 0 H GLU A 23 -4.297 -8.595 -5.999 1.00 41.41 H new ATOM 0 HA GLU A 23 -4.776 -9.618 -8.625 1.00 1.04 H new ATOM 0 HB2 GLU A 23 -5.829 -10.402 -5.876 1.00 11.33 H new ATOM 0 HB3 GLU A 23 -6.062 -11.349 -7.331 1.00 11.33 H new ATOM 0 HG2 GLU A 23 -3.607 -11.627 -7.573 1.00 73.33 H new ATOM 0 HG3 GLU A 23 -3.336 -10.620 -6.164 1.00 73.33 H new ATOM 391 N LEU A 24 -7.150 -7.793 -7.340 1.00 64.24 N ATOM 392 CA LEU A 24 -8.385 -7.050 -7.667 1.00 2.35 C ATOM 393 C LEU A 24 -8.124 -6.046 -8.804 1.00 34.22 C ATOM 394 O LEU A 24 -8.995 -5.799 -9.623 1.00 45.33 O ATOM 395 CB LEU A 24 -8.929 -6.308 -6.418 1.00 71.21 C ATOM 396 CG LEU A 24 -9.433 -7.205 -5.248 1.00 33.02 C ATOM 397 CD1 LEU A 24 -9.764 -6.361 -4.006 1.00 51.54 C ATOM 398 CD2 LEU A 24 -10.633 -8.074 -5.680 1.00 54.30 C ATOM 0 H LEU A 24 -6.693 -7.466 -6.489 1.00 64.24 H new ATOM 0 HA LEU A 24 -9.135 -7.769 -7.997 1.00 2.35 H new ATOM 0 HB2 LEU A 24 -8.142 -5.658 -6.036 1.00 71.21 H new ATOM 0 HB3 LEU A 24 -9.750 -5.664 -6.733 1.00 71.21 H new ATOM 0 HG LEU A 24 -8.624 -7.884 -4.978 1.00 33.02 H new ATOM 0 HD11 LEU A 24 -10.113 -7.013 -3.205 1.00 51.54 H new ATOM 0 HD12 LEU A 24 -8.870 -5.830 -3.678 1.00 51.54 H new ATOM 0 HD13 LEU A 24 -10.544 -5.640 -4.253 1.00 51.54 H new ATOM 0 HD21 LEU A 24 -10.959 -8.687 -4.840 1.00 54.30 H new ATOM 0 HD22 LEU A 24 -11.452 -7.430 -5.999 1.00 54.30 H new ATOM 0 HD23 LEU A 24 -10.336 -8.719 -6.507 1.00 54.30 H new ATOM 410 N ALA A 25 -6.906 -5.486 -8.845 1.00 65.15 N ATOM 411 CA ALA A 25 -6.479 -4.561 -9.914 1.00 4.52 C ATOM 412 C ALA A 25 -6.278 -5.335 -11.226 1.00 74.20 C ATOM 413 O ALA A 25 -6.496 -4.800 -12.313 1.00 32.31 O ATOM 414 CB ALA A 25 -5.200 -3.817 -9.492 1.00 61.44 C ATOM 0 H ALA A 25 -6.188 -5.659 -8.141 1.00 65.15 H new ATOM 0 HA ALA A 25 -7.256 -3.815 -10.081 1.00 4.52 H new ATOM 0 HB1 ALA A 25 -4.895 -3.138 -10.288 1.00 61.44 H new ATOM 0 HB2 ALA A 25 -5.394 -3.247 -8.583 1.00 61.44 H new ATOM 0 HB3 ALA A 25 -4.404 -4.538 -9.305 1.00 61.44 H new ATOM 420 N GLN A 26 -5.874 -6.613 -11.088 1.00 74.11 N ATOM 421 CA GLN A 26 -5.786 -7.575 -12.203 1.00 53.15 C ATOM 422 C GLN A 26 -7.200 -8.016 -12.629 1.00 32.33 C ATOM 423 O GLN A 26 -7.466 -8.221 -13.814 1.00 73.05 O ATOM 424 CB GLN A 26 -4.954 -8.822 -11.775 1.00 64.03 C ATOM 425 CG GLN A 26 -3.492 -8.532 -11.365 1.00 64.23 C ATOM 426 CD GLN A 26 -2.620 -7.981 -12.494 1.00 22.12 C ATOM 427 OE1 GLN A 26 -2.831 -8.280 -13.670 1.00 12.02 O ATOM 428 NE2 GLN A 26 -1.608 -7.198 -12.142 1.00 54.34 N ATOM 0 H GLN A 26 -5.597 -7.010 -10.190 1.00 74.11 H new ATOM 0 HA GLN A 26 -5.291 -7.091 -13.045 1.00 53.15 H new ATOM 0 HB2 GLN A 26 -5.459 -9.306 -10.939 1.00 64.03 H new ATOM 0 HB3 GLN A 26 -4.948 -9.535 -12.600 1.00 64.03 H new ATOM 0 HG2 GLN A 26 -3.493 -7.819 -10.541 1.00 64.23 H new ATOM 0 HG3 GLN A 26 -3.043 -9.452 -10.990 1.00 64.23 H new ATOM 0 HE21 GLN A 26 -1.459 -6.968 -11.160 1.00 54.34 H new ATOM 0 HE22 GLN A 26 -0.979 -6.826 -12.854 1.00 54.34 H new ATOM 437 N ARG A 27 -8.093 -8.161 -11.627 1.00 21.33 N ATOM 438 CA ARG A 27 -9.492 -8.606 -11.827 1.00 4.31 C ATOM 439 C ARG A 27 -10.385 -7.465 -12.377 1.00 42.43 C ATOM 440 O ARG A 27 -11.474 -7.723 -12.900 1.00 73.21 O ATOM 441 CB ARG A 27 -10.057 -9.138 -10.472 1.00 43.31 C ATOM 442 CG ARG A 27 -11.320 -10.019 -10.578 1.00 13.23 C ATOM 443 CD ARG A 27 -11.052 -11.326 -11.336 1.00 34.33 C ATOM 444 NE ARG A 27 -9.971 -12.114 -10.710 1.00 1.11 N ATOM 445 CZ ARG A 27 -9.019 -12.795 -11.376 1.00 64.43 C ATOM 446 NH1 ARG A 27 -8.991 -12.809 -12.707 1.00 75.55 N ATOM 447 NH2 ARG A 27 -8.085 -13.450 -10.694 1.00 22.12 N ATOM 0 H ARG A 27 -7.864 -7.972 -10.651 1.00 21.33 H new ATOM 0 HA ARG A 27 -9.499 -9.404 -12.570 1.00 4.31 H new ATOM 0 HB2 ARG A 27 -9.276 -9.712 -9.973 1.00 43.31 H new ATOM 0 HB3 ARG A 27 -10.283 -8.285 -9.833 1.00 43.31 H new ATOM 0 HG2 ARG A 27 -11.685 -10.250 -9.577 1.00 13.23 H new ATOM 0 HG3 ARG A 27 -12.108 -9.462 -11.085 1.00 13.23 H new ATOM 0 HD2 ARG A 27 -11.964 -11.922 -11.367 1.00 34.33 H new ATOM 0 HD3 ARG A 27 -10.785 -11.099 -12.368 1.00 34.33 H new ATOM 0 HE ARG A 27 -9.943 -12.145 -9.691 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -9.697 -12.299 -13.237 1.00 75.55 H new ATOM 0 HH12 ARG A 27 -8.263 -13.330 -13.196 1.00 75.55 H new ATOM 0 HH21 ARG A 27 -8.093 -13.434 -9.674 1.00 22.12 H new ATOM 0 HH22 ARG A 27 -7.360 -13.968 -11.190 1.00 22.12 H new ATOM 461 N GLY A 28 -9.908 -6.211 -12.251 1.00 22.10 N ATOM 462 CA GLY A 28 -10.659 -5.030 -12.701 1.00 62.51 C ATOM 463 C GLY A 28 -11.690 -4.537 -11.690 1.00 64.30 C ATOM 464 O GLY A 28 -12.611 -3.796 -12.049 1.00 74.22 O ATOM 0 H GLY A 28 -9.001 -5.993 -11.839 1.00 22.10 H new ATOM 0 HA2 GLY A 28 -9.957 -4.224 -12.914 1.00 62.51 H new ATOM 0 HA3 GLY A 28 -11.165 -5.267 -13.637 1.00 62.51 H new ATOM 468 N GLU A 29 -11.534 -4.965 -10.426 1.00 5.32 N ATOM 469 CA GLU A 29 -12.410 -4.572 -9.306 1.00 42.35 C ATOM 470 C GLU A 29 -12.040 -3.177 -8.768 1.00 60.51 C ATOM 471 O GLU A 29 -11.548 -3.044 -7.640 1.00 62.21 O ATOM 472 CB GLU A 29 -12.327 -5.633 -8.172 1.00 33.11 C ATOM 473 CG GLU A 29 -12.627 -7.076 -8.608 1.00 65.25 C ATOM 474 CD GLU A 29 -13.974 -7.227 -9.327 1.00 54.20 C ATOM 475 OE1 GLU A 29 -15.030 -7.134 -8.657 1.00 52.41 O ATOM 476 OE2 GLU A 29 -13.987 -7.430 -10.560 1.00 35.12 O ATOM 0 H GLU A 29 -10.787 -5.602 -10.148 1.00 5.32 H new ATOM 0 HA GLU A 29 -13.435 -4.522 -9.675 1.00 42.35 H new ATOM 0 HB2 GLU A 29 -11.328 -5.601 -7.738 1.00 33.11 H new ATOM 0 HB3 GLU A 29 -13.026 -5.355 -7.383 1.00 33.11 H new ATOM 0 HG2 GLU A 29 -11.831 -7.422 -9.267 1.00 65.25 H new ATOM 0 HG3 GLU A 29 -12.617 -7.722 -7.730 1.00 65.25 H new ATOM 483 N TRP A 30 -12.311 -2.143 -9.580 1.00 43.32 N ATOM 484 CA TRP A 30 -11.979 -0.736 -9.258 1.00 31.14 C ATOM 485 C TRP A 30 -12.783 -0.261 -8.033 1.00 2.25 C ATOM 486 O TRP A 30 -12.298 0.533 -7.227 1.00 63.24 O ATOM 487 CB TRP A 30 -12.243 0.183 -10.494 1.00 20.42 C ATOM 488 CG TRP A 30 -11.726 -0.401 -11.798 1.00 65.31 C ATOM 489 CD1 TRP A 30 -12.466 -0.750 -12.898 1.00 1.40 C ATOM 490 CD2 TRP A 30 -10.365 -0.745 -12.116 1.00 23.53 C ATOM 491 NE1 TRP A 30 -11.655 -1.285 -13.862 1.00 64.12 N ATOM 492 CE2 TRP A 30 -10.365 -1.291 -13.408 1.00 33.31 C ATOM 493 CE3 TRP A 30 -9.153 -0.650 -11.432 1.00 24.11 C ATOM 494 CZ2 TRP A 30 -9.207 -1.740 -14.029 1.00 10.42 C ATOM 495 CZ3 TRP A 30 -7.999 -1.086 -12.051 1.00 33.32 C ATOM 496 CH2 TRP A 30 -8.033 -1.628 -13.337 1.00 11.21 C ATOM 0 H TRP A 30 -12.769 -2.255 -10.485 1.00 43.32 H new ATOM 0 HA TRP A 30 -10.919 -0.674 -9.011 1.00 31.14 H new ATOM 0 HB2 TRP A 30 -13.315 0.361 -10.583 1.00 20.42 H new ATOM 0 HB3 TRP A 30 -11.772 1.151 -10.325 1.00 20.42 H new ATOM 0 HD1 TRP A 30 -13.534 -0.621 -12.991 1.00 1.40 H new ATOM 0 HE1 TRP A 30 -11.963 -1.625 -14.773 1.00 64.12 H new ATOM 0 HE3 TRP A 30 -9.118 -0.241 -10.433 1.00 24.11 H new ATOM 0 HZ2 TRP A 30 -9.233 -2.162 -15.023 1.00 10.42 H new ATOM 0 HZ3 TRP A 30 -7.055 -1.007 -11.532 1.00 33.32 H new ATOM 0 HH2 TRP A 30 -7.114 -1.965 -13.794 1.00 11.21 H new ATOM 507 N ASP A 31 -14.003 -0.810 -7.901 1.00 11.20 N ATOM 508 CA ASP A 31 -14.922 -0.532 -6.780 1.00 60.32 C ATOM 509 C ASP A 31 -14.313 -1.000 -5.441 1.00 74.43 C ATOM 510 O ASP A 31 -14.274 -0.233 -4.469 1.00 1.40 O ATOM 511 CB ASP A 31 -16.283 -1.231 -7.053 1.00 34.22 C ATOM 512 CG ASP A 31 -17.298 -1.102 -5.904 1.00 72.33 C ATOM 513 OD1 ASP A 31 -18.032 -0.089 -5.854 1.00 51.34 O ATOM 514 OD2 ASP A 31 -17.374 -2.014 -5.048 1.00 3.35 O ATOM 0 H ASP A 31 -14.385 -1.469 -8.579 1.00 11.20 H new ATOM 0 HA ASP A 31 -15.084 0.543 -6.703 1.00 60.32 H new ATOM 0 HB2 ASP A 31 -16.720 -0.810 -7.958 1.00 34.22 H new ATOM 0 HB3 ASP A 31 -16.103 -2.288 -7.248 1.00 34.22 H new ATOM 519 N LEU A 32 -13.818 -2.258 -5.416 1.00 31.51 N ATOM 520 CA LEU A 32 -13.201 -2.857 -4.214 1.00 2.41 C ATOM 521 C LEU A 32 -11.873 -2.157 -3.858 1.00 54.31 C ATOM 522 O LEU A 32 -11.510 -2.092 -2.680 1.00 14.30 O ATOM 523 CB LEU A 32 -12.991 -4.390 -4.398 1.00 31.34 C ATOM 524 CG LEU A 32 -14.289 -5.255 -4.543 1.00 21.21 C ATOM 525 CD1 LEU A 32 -13.955 -6.755 -4.710 1.00 1.22 C ATOM 526 CD2 LEU A 32 -15.261 -5.023 -3.368 1.00 34.43 C ATOM 0 H LEU A 32 -13.835 -2.882 -6.223 1.00 31.51 H new ATOM 0 HA LEU A 32 -13.888 -2.709 -3.381 1.00 2.41 H new ATOM 0 HB2 LEU A 32 -12.374 -4.547 -5.283 1.00 31.34 H new ATOM 0 HB3 LEU A 32 -12.425 -4.763 -3.544 1.00 31.34 H new ATOM 0 HG LEU A 32 -14.794 -4.929 -5.452 1.00 21.21 H new ATOM 0 HD11 LEU A 32 -14.879 -7.325 -4.808 1.00 1.22 H new ATOM 0 HD12 LEU A 32 -13.346 -6.895 -5.603 1.00 1.22 H new ATOM 0 HD13 LEU A 32 -13.404 -7.104 -3.837 1.00 1.22 H new ATOM 0 HD21 LEU A 32 -16.149 -5.640 -3.503 1.00 34.43 H new ATOM 0 HD22 LEU A 32 -14.771 -5.292 -2.432 1.00 34.43 H new ATOM 0 HD23 LEU A 32 -15.550 -3.972 -3.337 1.00 34.43 H new ATOM 538 N LEU A 33 -11.160 -1.638 -4.883 1.00 23.33 N ATOM 539 CA LEU A 33 -9.936 -0.831 -4.680 1.00 13.10 C ATOM 540 C LEU A 33 -10.271 0.482 -3.950 1.00 73.44 C ATOM 541 O LEU A 33 -9.649 0.811 -2.940 1.00 73.52 O ATOM 542 CB LEU A 33 -9.227 -0.525 -6.033 1.00 62.20 C ATOM 543 CG LEU A 33 -8.746 -1.763 -6.855 1.00 55.01 C ATOM 544 CD1 LEU A 33 -8.025 -1.340 -8.143 1.00 12.22 C ATOM 545 CD2 LEU A 33 -7.864 -2.690 -6.013 1.00 43.21 C ATOM 0 H LEU A 33 -11.413 -1.765 -5.863 1.00 23.33 H new ATOM 0 HA LEU A 33 -9.253 -1.416 -4.064 1.00 13.10 H new ATOM 0 HB2 LEU A 33 -9.910 0.054 -6.654 1.00 62.20 H new ATOM 0 HB3 LEU A 33 -8.364 0.109 -5.832 1.00 62.20 H new ATOM 0 HG LEU A 33 -9.637 -2.322 -7.141 1.00 55.01 H new ATOM 0 HD11 LEU A 33 -7.705 -2.227 -8.689 1.00 12.22 H new ATOM 0 HD12 LEU A 33 -8.704 -0.757 -8.765 1.00 12.22 H new ATOM 0 HD13 LEU A 33 -7.154 -0.735 -7.891 1.00 12.22 H new ATOM 0 HD21 LEU A 33 -7.548 -3.540 -6.618 1.00 43.21 H new ATOM 0 HD22 LEU A 33 -6.986 -2.143 -5.669 1.00 43.21 H new ATOM 0 HD23 LEU A 33 -8.429 -3.047 -5.152 1.00 43.21 H new ATOM 557 N LEU A 34 -11.295 1.199 -4.456 1.00 71.53 N ATOM 558 CA LEU A 34 -11.701 2.521 -3.925 1.00 23.14 C ATOM 559 C LEU A 34 -12.421 2.412 -2.567 1.00 63.13 C ATOM 560 O LEU A 34 -12.470 3.385 -1.811 1.00 53.02 O ATOM 561 CB LEU A 34 -12.594 3.263 -4.953 1.00 60.24 C ATOM 562 CG LEU A 34 -11.936 3.558 -6.336 1.00 43.23 C ATOM 563 CD1 LEU A 34 -12.903 4.306 -7.275 1.00 14.51 C ATOM 564 CD2 LEU A 34 -10.603 4.312 -6.168 1.00 2.24 C ATOM 0 H LEU A 34 -11.863 0.881 -5.241 1.00 71.53 H new ATOM 0 HA LEU A 34 -10.790 3.095 -3.759 1.00 23.14 H new ATOM 0 HB2 LEU A 34 -13.494 2.670 -5.119 1.00 60.24 H new ATOM 0 HB3 LEU A 34 -12.912 4.209 -4.514 1.00 60.24 H new ATOM 0 HG LEU A 34 -11.712 2.601 -6.807 1.00 43.23 H new ATOM 0 HD11 LEU A 34 -12.411 4.495 -8.229 1.00 14.51 H new ATOM 0 HD12 LEU A 34 -13.793 3.699 -7.440 1.00 14.51 H new ATOM 0 HD13 LEU A 34 -13.190 5.254 -6.821 1.00 14.51 H new ATOM 0 HD21 LEU A 34 -10.167 4.504 -7.149 1.00 2.24 H new ATOM 0 HD22 LEU A 34 -10.782 5.259 -5.659 1.00 2.24 H new ATOM 0 HD23 LEU A 34 -9.915 3.707 -5.577 1.00 2.24 H new ATOM 576 N GLN A 35 -12.983 1.231 -2.272 1.00 4.32 N ATOM 577 CA GLN A 35 -13.635 0.969 -0.977 1.00 10.20 C ATOM 578 C GLN A 35 -12.566 0.718 0.106 1.00 40.54 C ATOM 579 O GLN A 35 -12.573 1.345 1.174 1.00 21.21 O ATOM 580 CB GLN A 35 -14.601 -0.241 -1.093 1.00 22.10 C ATOM 581 CG GLN A 35 -15.494 -0.476 0.145 1.00 62.22 C ATOM 582 CD GLN A 35 -16.389 0.724 0.481 1.00 15.30 C ATOM 583 OE1 GLN A 35 -17.507 0.842 -0.016 1.00 62.12 O ATOM 584 NE2 GLN A 35 -15.906 1.621 1.326 1.00 3.05 N ATOM 0 H GLN A 35 -13.000 0.438 -2.914 1.00 4.32 H new ATOM 0 HA GLN A 35 -14.221 1.842 -0.690 1.00 10.20 H new ATOM 0 HB2 GLN A 35 -15.241 -0.095 -1.963 1.00 22.10 H new ATOM 0 HB3 GLN A 35 -14.014 -1.141 -1.276 1.00 22.10 H new ATOM 0 HG2 GLN A 35 -16.120 -1.351 -0.028 1.00 62.22 H new ATOM 0 HG3 GLN A 35 -14.862 -0.701 1.004 1.00 62.22 H new ATOM 0 HE21 GLN A 35 -14.975 1.498 1.723 1.00 3.05 H new ATOM 0 HE22 GLN A 35 -16.465 2.435 1.580 1.00 3.05 H new ATOM 593 N GLN A 36 -11.636 -0.195 -0.210 1.00 55.50 N ATOM 594 CA GLN A 36 -10.496 -0.561 0.656 1.00 2.04 C ATOM 595 C GLN A 36 -9.386 0.507 0.637 1.00 0.41 C ATOM 596 O GLN A 36 -8.428 0.386 1.395 1.00 3.14 O ATOM 597 CB GLN A 36 -9.928 -1.939 0.252 1.00 41.43 C ATOM 598 CG GLN A 36 -10.878 -3.129 0.502 1.00 4.21 C ATOM 599 CD GLN A 36 -10.354 -4.433 -0.097 1.00 25.15 C ATOM 600 OE1 GLN A 36 -9.617 -5.183 0.535 1.00 63.30 O ATOM 601 NE2 GLN A 36 -10.722 -4.701 -1.336 1.00 31.55 N ATOM 0 H GLN A 36 -11.652 -0.711 -1.090 1.00 55.50 H new ATOM 0 HA GLN A 36 -10.872 -0.619 1.677 1.00 2.04 H new ATOM 0 HB2 GLN A 36 -9.671 -1.914 -0.807 1.00 41.43 H new ATOM 0 HB3 GLN A 36 -9.002 -2.110 0.801 1.00 41.43 H new ATOM 0 HG2 GLN A 36 -11.020 -3.257 1.575 1.00 4.21 H new ATOM 0 HG3 GLN A 36 -11.856 -2.905 0.076 1.00 4.21 H new ATOM 0 HE21 GLN A 36 -11.336 -4.058 -1.836 1.00 31.55 H new ATOM 0 HE22 GLN A 36 -10.393 -5.551 -1.793 1.00 31.55 H new ATOM 610 N GLU A 37 -9.503 1.486 -0.288 1.00 2.22 N ATOM 611 CA GLU A 37 -8.578 2.642 -0.420 1.00 52.21 C ATOM 612 C GLU A 37 -8.196 3.234 0.947 1.00 14.45 C ATOM 613 O GLU A 37 -7.021 3.192 1.343 1.00 1.40 O ATOM 614 CB GLU A 37 -9.269 3.730 -1.282 1.00 64.15 C ATOM 615 CG GLU A 37 -8.451 5.015 -1.553 1.00 32.13 C ATOM 616 CD GLU A 37 -9.280 6.142 -2.200 1.00 21.42 C ATOM 617 OE1 GLU A 37 -9.010 7.332 -1.917 1.00 60.23 O ATOM 618 OE2 GLU A 37 -10.226 5.842 -2.969 1.00 62.14 O ATOM 0 H GLU A 37 -10.255 1.498 -0.977 1.00 2.22 H new ATOM 0 HA GLU A 37 -7.659 2.296 -0.893 1.00 52.21 H new ATOM 0 HB2 GLU A 37 -9.537 3.287 -2.241 1.00 64.15 H new ATOM 0 HB3 GLU A 37 -10.200 4.015 -0.791 1.00 64.15 H new ATOM 0 HG2 GLU A 37 -8.032 5.375 -0.613 1.00 32.13 H new ATOM 0 HG3 GLU A 37 -7.611 4.772 -2.204 1.00 32.13 H new ATOM 625 N VAL A 38 -9.219 3.709 1.686 1.00 52.40 N ATOM 626 CA VAL A 38 -9.047 4.315 3.016 1.00 30.44 C ATOM 627 C VAL A 38 -8.395 3.326 4.012 1.00 54.22 C ATOM 628 O VAL A 38 -7.583 3.731 4.821 1.00 21.04 O ATOM 629 CB VAL A 38 -10.418 4.855 3.582 1.00 15.50 C ATOM 630 CG1 VAL A 38 -11.475 3.733 3.689 1.00 34.41 C ATOM 631 CG2 VAL A 38 -10.236 5.593 4.938 1.00 65.22 C ATOM 0 H VAL A 38 -10.190 3.682 1.373 1.00 52.40 H new ATOM 0 HA VAL A 38 -8.372 5.163 2.898 1.00 30.44 H new ATOM 0 HB VAL A 38 -10.789 5.586 2.864 1.00 15.50 H new ATOM 0 HG11 VAL A 38 -12.404 4.145 4.083 1.00 34.41 H new ATOM 0 HG12 VAL A 38 -11.656 3.308 2.702 1.00 34.41 H new ATOM 0 HG13 VAL A 38 -11.112 2.953 4.358 1.00 34.41 H new ATOM 0 HG21 VAL A 38 -11.204 5.948 5.292 1.00 65.22 H new ATOM 0 HG22 VAL A 38 -9.811 4.907 5.671 1.00 65.22 H new ATOM 0 HG23 VAL A 38 -9.565 6.442 4.803 1.00 65.22 H new ATOM 641 N SER A 39 -8.718 2.026 3.877 1.00 3.14 N ATOM 642 CA SER A 39 -8.282 0.972 4.815 1.00 34.35 C ATOM 643 C SER A 39 -6.777 0.639 4.660 1.00 63.23 C ATOM 644 O SER A 39 -6.057 0.469 5.661 1.00 1.14 O ATOM 645 CB SER A 39 -9.158 -0.281 4.589 1.00 1.25 C ATOM 646 OG SER A 39 -10.544 0.049 4.652 1.00 73.43 O ATOM 0 H SER A 39 -9.292 1.675 3.110 1.00 3.14 H new ATOM 0 HA SER A 39 -8.409 1.333 5.836 1.00 34.35 H new ATOM 0 HB2 SER A 39 -8.928 -0.720 3.618 1.00 1.25 H new ATOM 0 HB3 SER A 39 -8.925 -1.034 5.342 1.00 1.25 H new ATOM 0 HG SER A 39 -11.080 -0.758 4.505 1.00 73.43 H new ATOM 652 N TYR A 40 -6.318 0.561 3.398 1.00 22.12 N ATOM 653 CA TYR A 40 -4.910 0.273 3.066 1.00 42.02 C ATOM 654 C TYR A 40 -4.032 1.483 3.392 1.00 45.13 C ATOM 655 O TYR A 40 -2.939 1.337 3.949 1.00 73.54 O ATOM 656 CB TYR A 40 -4.777 -0.124 1.575 1.00 42.21 C ATOM 657 CG TYR A 40 -3.339 -0.453 1.109 1.00 30.12 C ATOM 658 CD1 TYR A 40 -2.780 0.177 0.000 1.00 74.15 C ATOM 659 CD2 TYR A 40 -2.549 -1.397 1.771 1.00 12.23 C ATOM 660 CE1 TYR A 40 -1.505 -0.115 -0.432 1.00 14.23 C ATOM 661 CE2 TYR A 40 -1.266 -1.687 1.338 1.00 42.52 C ATOM 662 CZ TYR A 40 -0.751 -1.043 0.235 1.00 50.33 C ATOM 663 OH TYR A 40 0.530 -1.325 -0.204 1.00 10.01 O ATOM 0 H TYR A 40 -6.912 0.696 2.580 1.00 22.12 H new ATOM 0 HA TYR A 40 -4.570 -0.568 3.671 1.00 42.02 H new ATOM 0 HB2 TYR A 40 -5.410 -0.991 1.388 1.00 42.21 H new ATOM 0 HB3 TYR A 40 -5.163 0.691 0.962 1.00 42.21 H new ATOM 0 HD1 TYR A 40 -3.361 0.913 -0.535 1.00 74.15 H new ATOM 0 HD2 TYR A 40 -2.946 -1.909 2.635 1.00 12.23 H new ATOM 0 HE1 TYR A 40 -1.100 0.388 -1.297 1.00 14.23 H new ATOM 0 HE2 TYR A 40 -0.670 -2.417 1.865 1.00 42.52 H new ATOM 0 HH TYR A 40 0.995 -1.866 0.468 1.00 10.01 H new ATOM 673 N LEU A 41 -4.531 2.683 3.054 1.00 32.51 N ATOM 674 CA LEU A 41 -3.838 3.941 3.364 1.00 25.14 C ATOM 675 C LEU A 41 -3.818 4.187 4.895 1.00 13.23 C ATOM 676 O LEU A 41 -2.859 4.765 5.414 1.00 74.14 O ATOM 677 CB LEU A 41 -4.484 5.123 2.588 1.00 74.30 C ATOM 678 CG LEU A 41 -4.439 5.017 1.021 1.00 72.24 C ATOM 679 CD1 LEU A 41 -5.092 6.245 0.344 1.00 31.42 C ATOM 680 CD2 LEU A 41 -2.998 4.784 0.504 1.00 2.21 C ATOM 0 H LEU A 41 -5.417 2.807 2.563 1.00 32.51 H new ATOM 0 HA LEU A 41 -2.801 3.867 3.035 1.00 25.14 H new ATOM 0 HB2 LEU A 41 -5.525 5.211 2.898 1.00 74.30 H new ATOM 0 HB3 LEU A 41 -3.984 6.045 2.886 1.00 74.30 H new ATOM 0 HG LEU A 41 -5.029 4.143 0.743 1.00 72.24 H new ATOM 0 HD11 LEU A 41 -5.041 6.134 -0.739 1.00 31.42 H new ATOM 0 HD12 LEU A 41 -6.135 6.319 0.652 1.00 31.42 H new ATOM 0 HD13 LEU A 41 -4.561 7.149 0.641 1.00 31.42 H new ATOM 0 HD21 LEU A 41 -3.008 4.716 -0.584 1.00 2.21 H new ATOM 0 HD22 LEU A 41 -2.363 5.615 0.810 1.00 2.21 H new ATOM 0 HD23 LEU A 41 -2.607 3.856 0.922 1.00 2.21 H new ATOM 692 N GLN A 42 -4.866 3.691 5.600 1.00 34.20 N ATOM 693 CA GLN A 42 -4.969 3.768 7.077 1.00 42.11 C ATOM 694 C GLN A 42 -3.892 2.894 7.737 1.00 52.14 C ATOM 695 O GLN A 42 -3.211 3.333 8.669 1.00 1.04 O ATOM 696 CB GLN A 42 -6.383 3.328 7.559 1.00 11.44 C ATOM 697 CG GLN A 42 -6.643 3.453 9.077 1.00 45.01 C ATOM 698 CD GLN A 42 -6.613 4.898 9.586 1.00 24.44 C ATOM 699 OE1 GLN A 42 -5.574 5.404 10.009 1.00 40.03 O ATOM 700 NE2 GLN A 42 -7.752 5.572 9.547 1.00 11.52 N ATOM 0 H GLN A 42 -5.661 3.228 5.160 1.00 34.20 H new ATOM 0 HA GLN A 42 -4.811 4.805 7.372 1.00 42.11 H new ATOM 0 HB2 GLN A 42 -7.128 3.923 7.031 1.00 11.44 H new ATOM 0 HB3 GLN A 42 -6.539 2.290 7.267 1.00 11.44 H new ATOM 0 HG2 GLN A 42 -7.614 3.015 9.308 1.00 45.01 H new ATOM 0 HG3 GLN A 42 -5.894 2.871 9.615 1.00 45.01 H new ATOM 0 HE21 GLN A 42 -8.597 5.125 9.191 1.00 11.52 H new ATOM 0 HE22 GLN A 42 -7.784 6.538 9.873 1.00 11.52 H new ATOM 709 N SER A 43 -3.741 1.652 7.238 1.00 52.23 N ATOM 710 CA SER A 43 -2.738 0.710 7.761 1.00 73.30 C ATOM 711 C SER A 43 -1.300 1.230 7.497 1.00 51.10 C ATOM 712 O SER A 43 -0.421 1.119 8.371 1.00 74.31 O ATOM 713 CB SER A 43 -2.976 -0.700 7.177 1.00 1.32 C ATOM 714 OG SER A 43 -3.008 -0.701 5.761 1.00 51.22 O ATOM 0 H SER A 43 -4.303 1.279 6.472 1.00 52.23 H new ATOM 0 HA SER A 43 -2.847 0.636 8.843 1.00 73.30 H new ATOM 0 HB2 SER A 43 -2.188 -1.370 7.520 1.00 1.32 H new ATOM 0 HB3 SER A 43 -3.918 -1.094 7.559 1.00 1.32 H new ATOM 0 HG SER A 43 -2.871 0.211 5.430 1.00 51.22 H new ATOM 720 N ILE A 44 -1.103 1.836 6.304 1.00 61.03 N ATOM 721 CA ILE A 44 0.170 2.481 5.896 1.00 21.03 C ATOM 722 C ILE A 44 0.576 3.590 6.900 1.00 42.40 C ATOM 723 O ILE A 44 1.651 3.517 7.538 1.00 1.33 O ATOM 724 CB ILE A 44 0.032 3.055 4.413 1.00 52.03 C ATOM 725 CG1 ILE A 44 0.174 1.901 3.359 1.00 21.51 C ATOM 726 CG2 ILE A 44 1.006 4.227 4.116 1.00 54.15 C ATOM 727 CD1 ILE A 44 -0.010 2.324 1.905 1.00 2.25 C ATOM 0 H ILE A 44 -1.829 1.893 5.590 1.00 61.03 H new ATOM 0 HA ILE A 44 0.965 1.735 5.904 1.00 21.03 H new ATOM 0 HB ILE A 44 -0.969 3.478 4.331 1.00 52.03 H new ATOM 0 HG12 ILE A 44 1.161 1.451 3.468 1.00 21.51 H new ATOM 0 HG13 ILE A 44 -0.557 1.127 3.591 1.00 21.51 H new ATOM 0 HG21 ILE A 44 0.860 4.570 3.092 1.00 54.15 H new ATOM 0 HG22 ILE A 44 0.809 5.048 4.805 1.00 54.15 H new ATOM 0 HG23 ILE A 44 2.034 3.887 4.242 1.00 54.15 H new ATOM 0 HD11 ILE A 44 0.107 1.456 1.256 1.00 2.25 H new ATOM 0 HD12 ILE A 44 -1.007 2.745 1.772 1.00 2.25 H new ATOM 0 HD13 ILE A 44 0.738 3.074 1.647 1.00 2.25 H new ATOM 739 N GLU A 45 -0.319 4.582 7.068 1.00 22.33 N ATOM 740 CA GLU A 45 -0.042 5.770 7.894 1.00 15.12 C ATOM 741 C GLU A 45 0.156 5.377 9.370 1.00 13.02 C ATOM 742 O GLU A 45 1.036 5.919 10.032 1.00 54.21 O ATOM 743 CB GLU A 45 -1.178 6.825 7.746 1.00 64.31 C ATOM 744 CG GLU A 45 -2.556 6.352 8.250 1.00 42.44 C ATOM 745 CD GLU A 45 -3.704 7.330 7.979 1.00 33.32 C ATOM 746 OE1 GLU A 45 -4.080 8.095 8.892 1.00 45.11 O ATOM 747 OE2 GLU A 45 -4.244 7.337 6.851 1.00 52.43 O ATOM 0 H GLU A 45 -1.245 4.582 6.640 1.00 22.33 H new ATOM 0 HA GLU A 45 0.884 6.221 7.539 1.00 15.12 H new ATOM 0 HB2 GLU A 45 -0.895 7.725 8.291 1.00 64.31 H new ATOM 0 HB3 GLU A 45 -1.265 7.103 6.696 1.00 64.31 H new ATOM 0 HG2 GLU A 45 -2.792 5.397 7.781 1.00 42.44 H new ATOM 0 HG3 GLU A 45 -2.494 6.173 9.323 1.00 42.44 H new ATOM 754 N THR A 46 -0.627 4.387 9.858 1.00 20.20 N ATOM 755 CA THR A 46 -0.601 3.998 11.279 1.00 64.03 C ATOM 756 C THR A 46 0.650 3.154 11.620 1.00 21.23 C ATOM 757 O THR A 46 1.140 3.230 12.751 1.00 21.20 O ATOM 758 CB THR A 46 -1.918 3.261 11.716 1.00 44.32 C ATOM 759 OG1 THR A 46 -2.011 3.220 13.144 1.00 24.24 O ATOM 760 CG2 THR A 46 -2.016 1.831 11.177 1.00 22.44 C ATOM 0 H THR A 46 -1.280 3.848 9.289 1.00 20.20 H new ATOM 0 HA THR A 46 -0.543 4.923 11.853 1.00 64.03 H new ATOM 0 HB THR A 46 -2.741 3.834 11.289 1.00 44.32 H new ATOM 0 HG1 THR A 46 -2.836 2.760 13.405 1.00 24.24 H new ATOM 0 HG21 THR A 46 -2.948 1.378 11.515 1.00 22.44 H new ATOM 0 HG22 THR A 46 -1.996 1.851 10.087 1.00 22.44 H new ATOM 0 HG23 THR A 46 -1.174 1.245 11.545 1.00 22.44 H new ATOM 768 N VAL A 47 1.181 2.361 10.650 1.00 64.44 N ATOM 769 CA VAL A 47 2.439 1.604 10.872 1.00 12.04 C ATOM 770 C VAL A 47 3.647 2.553 10.795 1.00 3.51 C ATOM 771 O VAL A 47 4.675 2.323 11.435 1.00 10.43 O ATOM 772 CB VAL A 47 2.639 0.394 9.875 1.00 40.40 C ATOM 773 CG1 VAL A 47 3.175 0.837 8.489 1.00 44.13 C ATOM 774 CG2 VAL A 47 3.548 -0.686 10.498 1.00 52.33 C ATOM 0 H VAL A 47 0.767 2.232 9.727 1.00 64.44 H new ATOM 0 HA VAL A 47 2.361 1.170 11.869 1.00 12.04 H new ATOM 0 HB VAL A 47 1.652 -0.035 9.703 1.00 40.40 H new ATOM 0 HG11 VAL A 47 3.292 -0.037 7.848 1.00 44.13 H new ATOM 0 HG12 VAL A 47 2.470 1.531 8.031 1.00 44.13 H new ATOM 0 HG13 VAL A 47 4.140 1.328 8.612 1.00 44.13 H new ATOM 0 HG21 VAL A 47 3.671 -1.509 9.794 1.00 52.33 H new ATOM 0 HG22 VAL A 47 4.523 -0.254 10.726 1.00 52.33 H new ATOM 0 HG23 VAL A 47 3.093 -1.059 11.416 1.00 52.33 H new ATOM 784 N MET A 48 3.499 3.622 9.994 1.00 34.02 N ATOM 785 CA MET A 48 4.533 4.663 9.852 1.00 20.41 C ATOM 786 C MET A 48 4.509 5.628 11.069 1.00 24.12 C ATOM 787 O MET A 48 5.518 6.273 11.384 1.00 32.22 O ATOM 788 CB MET A 48 4.323 5.391 8.505 1.00 45.51 C ATOM 789 CG MET A 48 5.474 6.299 8.063 1.00 33.21 C ATOM 790 SD MET A 48 5.308 6.802 6.337 1.00 50.32 S ATOM 791 CE MET A 48 5.449 5.221 5.491 1.00 22.01 C ATOM 0 H MET A 48 2.666 3.789 9.430 1.00 34.02 H new ATOM 0 HA MET A 48 5.526 4.213 9.842 1.00 20.41 H new ATOM 0 HB2 MET A 48 4.154 4.644 7.730 1.00 45.51 H new ATOM 0 HB3 MET A 48 3.415 5.991 8.573 1.00 45.51 H new ATOM 0 HG2 MET A 48 5.503 7.184 8.698 1.00 33.21 H new ATOM 0 HG3 MET A 48 6.421 5.777 8.200 1.00 33.21 H new ATOM 0 HE1 MET A 48 5.922 5.369 4.520 1.00 22.01 H new ATOM 0 HE2 MET A 48 6.055 4.541 6.090 1.00 22.01 H new ATOM 0 HE3 MET A 48 4.456 4.794 5.350 1.00 22.01 H new ATOM 801 N GLU A 49 3.343 5.706 11.747 1.00 5.10 N ATOM 802 CA GLU A 49 3.208 6.372 13.066 1.00 2.34 C ATOM 803 C GLU A 49 3.604 5.409 14.203 1.00 33.14 C ATOM 804 O GLU A 49 3.841 5.848 15.335 1.00 41.13 O ATOM 805 CB GLU A 49 1.758 6.900 13.277 1.00 32.13 C ATOM 806 CG GLU A 49 1.344 8.050 12.329 1.00 42.41 C ATOM 807 CD GLU A 49 2.209 9.313 12.483 1.00 31.25 C ATOM 808 OE1 GLU A 49 1.955 10.111 13.418 1.00 51.53 O ATOM 809 OE2 GLU A 49 3.153 9.512 11.681 1.00 71.32 O ATOM 0 H GLU A 49 2.470 5.311 11.398 1.00 5.10 H new ATOM 0 HA GLU A 49 3.886 7.226 13.085 1.00 2.34 H new ATOM 0 HB2 GLU A 49 1.062 6.072 13.147 1.00 32.13 H new ATOM 0 HB3 GLU A 49 1.657 7.242 14.307 1.00 32.13 H new ATOM 0 HG2 GLU A 49 1.405 7.701 11.298 1.00 42.41 H new ATOM 0 HG3 GLU A 49 0.302 8.308 12.517 1.00 42.41 H new ATOM 923 N THR A 57 14.533 -6.877 17.365 1.00 34.10 N ATOM 924 CA THR A 57 14.991 -8.295 17.392 1.00 63.42 C ATOM 925 C THR A 57 14.825 -8.978 16.011 1.00 62.11 C ATOM 926 O THR A 57 14.016 -8.518 15.191 1.00 5.21 O ATOM 927 CB THR A 57 14.253 -9.118 18.513 1.00 42.25 C ATOM 928 OG1 THR A 57 14.953 -10.346 18.773 1.00 23.21 O ATOM 929 CG2 THR A 57 12.793 -9.447 18.159 1.00 50.32 C ATOM 0 HA THR A 57 16.055 -8.280 17.630 1.00 63.42 H new ATOM 0 HB THR A 57 14.245 -8.483 19.399 1.00 42.25 H new ATOM 0 HG1 THR A 57 14.485 -10.847 19.473 1.00 23.21 H new ATOM 0 HG21 THR A 57 12.341 -10.015 18.972 1.00 50.32 H new ATOM 0 HG22 THR A 57 12.237 -8.521 18.010 1.00 50.32 H new ATOM 0 HG23 THR A 57 12.765 -10.038 17.244 1.00 50.32 H new ATOM 937 N ARG A 58 15.582 -10.086 15.787 1.00 5.02 N ATOM 938 CA ARG A 58 15.633 -10.806 14.488 1.00 1.00 C ATOM 939 C ARG A 58 14.234 -11.207 13.993 1.00 51.22 C ATOM 940 O ARG A 58 13.923 -11.009 12.824 1.00 53.51 O ATOM 941 CB ARG A 58 16.501 -12.092 14.575 1.00 73.05 C ATOM 942 CG ARG A 58 17.987 -11.889 14.939 1.00 4.45 C ATOM 943 CD ARG A 58 18.766 -13.223 15.011 1.00 75.20 C ATOM 944 NE ARG A 58 18.270 -14.124 16.084 1.00 63.34 N ATOM 945 CZ ARG A 58 17.496 -15.221 15.900 1.00 53.45 C ATOM 946 NH1 ARG A 58 17.092 -15.588 14.682 1.00 42.15 N ATOM 947 NH2 ARG A 58 17.131 -15.950 16.950 1.00 33.12 N ATOM 0 H ARG A 58 16.174 -10.504 16.504 1.00 5.02 H new ATOM 0 HA ARG A 58 16.080 -10.106 13.783 1.00 1.00 H new ATOM 0 HB2 ARG A 58 16.055 -12.757 15.315 1.00 73.05 H new ATOM 0 HB3 ARG A 58 16.451 -12.605 13.614 1.00 73.05 H new ATOM 0 HG2 ARG A 58 18.454 -11.239 14.199 1.00 4.45 H new ATOM 0 HG3 ARG A 58 18.056 -11.379 15.900 1.00 4.45 H new ATOM 0 HD2 ARG A 58 18.692 -13.734 14.051 1.00 75.20 H new ATOM 0 HD3 ARG A 58 19.822 -13.013 15.179 1.00 75.20 H new ATOM 0 HE ARG A 58 18.535 -13.897 17.042 1.00 63.34 H new ATOM 0 HH11 ARG A 58 17.366 -15.039 13.867 1.00 42.15 H new ATOM 0 HH12 ARG A 58 16.510 -16.417 14.566 1.00 42.15 H new ATOM 0 HH21 ARG A 58 17.433 -15.682 17.887 1.00 33.12 H new ATOM 0 HH22 ARG A 58 16.548 -16.777 16.819 1.00 33.12 H new ATOM 961 N SER A 59 13.414 -11.764 14.906 1.00 72.53 N ATOM 962 CA SER A 59 12.085 -12.303 14.571 1.00 72.11 C ATOM 963 C SER A 59 11.180 -11.220 13.952 1.00 42.20 C ATOM 964 O SER A 59 10.684 -11.387 12.825 1.00 23.44 O ATOM 965 CB SER A 59 11.435 -12.914 15.831 1.00 34.20 C ATOM 966 OG SER A 59 12.286 -13.880 16.434 1.00 73.03 O ATOM 0 H SER A 59 13.655 -11.852 15.893 1.00 72.53 H new ATOM 0 HA SER A 59 12.208 -13.087 13.823 1.00 72.11 H new ATOM 0 HB2 SER A 59 11.213 -12.124 16.548 1.00 34.20 H new ATOM 0 HB3 SER A 59 10.486 -13.378 15.564 1.00 34.20 H new ATOM 0 HG SER A 59 11.850 -14.249 17.230 1.00 73.03 H new ATOM 972 N ILE A 60 11.022 -10.093 14.683 1.00 45.13 N ATOM 973 CA ILE A 60 10.202 -8.954 14.236 1.00 23.03 C ATOM 974 C ILE A 60 10.772 -8.386 12.929 1.00 72.32 C ATOM 975 O ILE A 60 10.074 -8.336 11.929 1.00 31.22 O ATOM 976 CB ILE A 60 10.139 -7.805 15.308 1.00 3.30 C ATOM 977 CG1 ILE A 60 9.636 -8.344 16.677 1.00 21.21 C ATOM 978 CG2 ILE A 60 9.246 -6.632 14.816 1.00 44.42 C ATOM 979 CD1 ILE A 60 9.681 -7.323 17.804 1.00 12.54 C ATOM 0 H ILE A 60 11.459 -9.952 15.594 1.00 45.13 H new ATOM 0 HA ILE A 60 9.189 -9.327 14.084 1.00 23.03 H new ATOM 0 HB ILE A 60 11.151 -7.425 15.447 1.00 3.30 H new ATOM 0 HG12 ILE A 60 8.611 -8.696 16.562 1.00 21.21 H new ATOM 0 HG13 ILE A 60 10.240 -9.207 16.959 1.00 21.21 H new ATOM 0 HG21 ILE A 60 9.220 -5.851 15.576 1.00 44.42 H new ATOM 0 HG22 ILE A 60 9.656 -6.225 13.892 1.00 44.42 H new ATOM 0 HG23 ILE A 60 8.235 -6.996 14.635 1.00 44.42 H new ATOM 0 HD11 ILE A 60 9.314 -7.779 18.723 1.00 12.54 H new ATOM 0 HD12 ILE A 60 10.708 -6.988 17.950 1.00 12.54 H new ATOM 0 HD13 ILE A 60 9.054 -6.469 17.547 1.00 12.54 H new ATOM 991 N GLN A 61 12.069 -8.026 12.963 1.00 50.40 N ATOM 992 CA GLN A 61 12.781 -7.393 11.832 1.00 73.31 C ATOM 993 C GLN A 61 12.673 -8.237 10.544 1.00 51.35 C ATOM 994 O GLN A 61 12.555 -7.687 9.454 1.00 64.53 O ATOM 995 CB GLN A 61 14.272 -7.171 12.202 1.00 35.41 C ATOM 996 CG GLN A 61 15.102 -6.390 11.155 1.00 64.03 C ATOM 997 CD GLN A 61 16.594 -6.263 11.500 1.00 14.15 C ATOM 998 OE1 GLN A 61 17.229 -5.257 11.187 1.00 64.14 O ATOM 999 NE2 GLN A 61 17.180 -7.301 12.093 1.00 72.22 N ATOM 0 H GLN A 61 12.659 -8.167 13.783 1.00 50.40 H new ATOM 0 HA GLN A 61 12.308 -6.431 11.637 1.00 73.31 H new ATOM 0 HB2 GLN A 61 14.318 -6.637 13.151 1.00 35.41 H new ATOM 0 HB3 GLN A 61 14.739 -8.143 12.360 1.00 35.41 H new ATOM 0 HG2 GLN A 61 15.005 -6.885 10.189 1.00 64.03 H new ATOM 0 HG3 GLN A 61 14.680 -5.391 11.045 1.00 64.03 H new ATOM 0 HE21 GLN A 61 16.630 -8.123 12.342 1.00 72.22 H new ATOM 0 HE22 GLN A 61 18.179 -7.274 12.298 1.00 72.22 H new ATOM 1008 N ASP A 62 12.685 -9.577 10.700 1.00 54.42 N ATOM 1009 CA ASP A 62 12.604 -10.524 9.569 1.00 43.35 C ATOM 1010 C ASP A 62 11.190 -10.529 8.984 1.00 33.22 C ATOM 1011 O ASP A 62 11.016 -10.217 7.803 1.00 54.20 O ATOM 1012 CB ASP A 62 12.996 -11.958 10.019 1.00 34.43 C ATOM 1013 CG ASP A 62 12.977 -12.990 8.872 1.00 23.01 C ATOM 1014 OD1 ASP A 62 14.004 -13.141 8.175 1.00 32.34 O ATOM 1015 OD2 ASP A 62 11.938 -13.661 8.664 1.00 30.25 O ATOM 0 H ASP A 62 12.751 -10.032 11.611 1.00 54.42 H new ATOM 0 HA ASP A 62 13.307 -10.199 8.802 1.00 43.35 H new ATOM 0 HB2 ASP A 62 13.993 -11.933 10.458 1.00 34.43 H new ATOM 0 HB3 ASP A 62 12.312 -12.284 10.802 1.00 34.43 H new ATOM 1020 N MET A 63 10.190 -10.851 9.839 1.00 11.24 N ATOM 1021 CA MET A 63 8.770 -10.964 9.425 1.00 73.31 C ATOM 1022 C MET A 63 8.297 -9.656 8.775 1.00 64.23 C ATOM 1023 O MET A 63 7.730 -9.665 7.680 1.00 32.43 O ATOM 1024 CB MET A 63 7.861 -11.324 10.635 1.00 55.32 C ATOM 1025 CG MET A 63 8.143 -12.698 11.259 1.00 53.34 C ATOM 1026 SD MET A 63 7.021 -13.106 12.618 1.00 73.51 S ATOM 1027 CE MET A 63 7.471 -11.889 13.860 1.00 1.13 C ATOM 0 H MET A 63 10.343 -11.039 10.830 1.00 11.24 H new ATOM 0 HA MET A 63 8.695 -11.769 8.693 1.00 73.31 H new ATOM 0 HB2 MET A 63 7.980 -10.559 11.403 1.00 55.32 H new ATOM 0 HB3 MET A 63 6.820 -11.292 10.313 1.00 55.32 H new ATOM 0 HG2 MET A 63 8.063 -13.464 10.488 1.00 53.34 H new ATOM 0 HG3 MET A 63 9.170 -12.720 11.625 1.00 53.34 H new ATOM 0 HE1 MET A 63 6.854 -12.030 14.748 1.00 1.13 H new ATOM 0 HE2 MET A 63 8.521 -12.010 14.125 1.00 1.13 H new ATOM 0 HE3 MET A 63 7.311 -10.887 13.462 1.00 1.13 H new ATOM 1037 N VAL A 64 8.608 -8.548 9.462 1.00 42.51 N ATOM 1038 CA VAL A 64 8.324 -7.182 9.010 1.00 52.32 C ATOM 1039 C VAL A 64 9.001 -6.884 7.662 1.00 41.03 C ATOM 1040 O VAL A 64 8.336 -6.401 6.759 1.00 43.14 O ATOM 1041 CB VAL A 64 8.754 -6.144 10.120 1.00 75.22 C ATOM 1042 CG1 VAL A 64 8.895 -4.708 9.573 1.00 54.11 C ATOM 1043 CG2 VAL A 64 7.764 -6.196 11.315 1.00 64.02 C ATOM 0 H VAL A 64 9.075 -8.579 10.368 1.00 42.51 H new ATOM 0 HA VAL A 64 7.250 -7.087 8.851 1.00 52.32 H new ATOM 0 HB VAL A 64 9.745 -6.434 10.468 1.00 75.22 H new ATOM 0 HG11 VAL A 64 9.192 -4.039 10.380 1.00 54.11 H new ATOM 0 HG12 VAL A 64 9.652 -4.690 8.789 1.00 54.11 H new ATOM 0 HG13 VAL A 64 7.940 -4.380 9.162 1.00 54.11 H new ATOM 0 HG21 VAL A 64 8.071 -5.476 12.074 1.00 64.02 H new ATOM 0 HG22 VAL A 64 6.761 -5.951 10.967 1.00 64.02 H new ATOM 0 HG23 VAL A 64 7.764 -7.198 11.744 1.00 64.02 H new ATOM 1053 N ALA A 65 10.310 -7.210 7.527 1.00 12.51 N ATOM 1054 CA ALA A 65 11.067 -7.002 6.260 1.00 0.22 C ATOM 1055 C ALA A 65 10.478 -7.830 5.102 1.00 1.20 C ATOM 1056 O ALA A 65 10.593 -7.450 3.926 1.00 74.52 O ATOM 1057 CB ALA A 65 12.549 -7.339 6.445 1.00 43.24 C ATOM 0 H ALA A 65 10.867 -7.618 8.278 1.00 12.51 H new ATOM 0 HA ALA A 65 10.976 -5.947 6.002 1.00 0.22 H new ATOM 0 HB1 ALA A 65 13.079 -7.179 5.506 1.00 43.24 H new ATOM 0 HB2 ALA A 65 12.975 -6.697 7.216 1.00 43.24 H new ATOM 0 HB3 ALA A 65 12.650 -8.382 6.745 1.00 43.24 H new ATOM 1063 N GLY A 66 9.848 -8.964 5.462 1.00 72.12 N ATOM 1064 CA GLY A 66 9.141 -9.802 4.506 1.00 62.32 C ATOM 1065 C GLY A 66 7.889 -9.112 3.993 1.00 30.04 C ATOM 1066 O GLY A 66 7.706 -8.971 2.785 1.00 42.11 O ATOM 0 H GLY A 66 9.821 -9.314 6.420 1.00 72.12 H new ATOM 0 HA2 GLY A 66 9.798 -10.038 3.669 1.00 62.32 H new ATOM 0 HA3 GLY A 66 8.872 -10.748 4.976 1.00 62.32 H new ATOM 1070 N TYR A 67 7.058 -8.640 4.941 1.00 44.42 N ATOM 1071 CA TYR A 67 5.819 -7.901 4.647 1.00 44.33 C ATOM 1072 C TYR A 67 6.120 -6.588 3.889 1.00 22.20 C ATOM 1073 O TYR A 67 5.329 -6.153 3.049 1.00 51.14 O ATOM 1074 CB TYR A 67 5.064 -7.577 5.957 1.00 2.10 C ATOM 1075 CG TYR A 67 4.633 -8.787 6.812 1.00 0.02 C ATOM 1076 CD1 TYR A 67 4.816 -8.793 8.204 1.00 23.14 C ATOM 1077 CD2 TYR A 67 4.032 -9.910 6.236 1.00 41.13 C ATOM 1078 CE1 TYR A 67 4.417 -9.864 8.980 1.00 33.52 C ATOM 1079 CE2 TYR A 67 3.635 -10.985 7.013 1.00 4.11 C ATOM 1080 CZ TYR A 67 3.830 -10.958 8.382 1.00 15.11 C ATOM 1081 OH TYR A 67 3.425 -12.029 9.154 1.00 74.42 O ATOM 0 H TYR A 67 7.230 -8.762 5.939 1.00 44.42 H new ATOM 0 HA TYR A 67 5.196 -8.534 4.015 1.00 44.33 H new ATOM 0 HB2 TYR A 67 5.698 -6.934 6.568 1.00 2.10 H new ATOM 0 HB3 TYR A 67 4.174 -7.001 5.706 1.00 2.10 H new ATOM 0 HD1 TYR A 67 5.279 -7.941 8.679 1.00 23.14 H new ATOM 0 HD2 TYR A 67 3.875 -9.940 5.168 1.00 41.13 H new ATOM 0 HE1 TYR A 67 4.564 -9.844 10.050 1.00 33.52 H new ATOM 0 HE2 TYR A 67 3.173 -11.845 6.550 1.00 4.11 H new ATOM 0 HH TYR A 67 3.030 -12.716 8.578 1.00 74.42 H new ATOM 1091 N ILE A 68 7.288 -5.992 4.212 1.00 34.32 N ATOM 1092 CA ILE A 68 7.815 -4.767 3.583 1.00 72.33 C ATOM 1093 C ILE A 68 8.084 -5.022 2.096 1.00 64.45 C ATOM 1094 O ILE A 68 7.505 -4.350 1.234 1.00 22.03 O ATOM 1095 CB ILE A 68 9.137 -4.277 4.328 1.00 45.22 C ATOM 1096 CG1 ILE A 68 8.776 -3.494 5.635 1.00 62.02 C ATOM 1097 CG2 ILE A 68 10.093 -3.459 3.418 1.00 5.24 C ATOM 1098 CD1 ILE A 68 9.963 -2.987 6.442 1.00 44.50 C ATOM 0 H ILE A 68 7.904 -6.361 4.936 1.00 34.32 H new ATOM 0 HA ILE A 68 7.072 -3.975 3.671 1.00 72.33 H new ATOM 0 HB ILE A 68 9.691 -5.175 4.601 1.00 45.22 H new ATOM 0 HG12 ILE A 68 8.150 -2.643 5.367 1.00 62.02 H new ATOM 0 HG13 ILE A 68 8.175 -4.143 6.273 1.00 62.02 H new ATOM 0 HG21 ILE A 68 10.971 -3.158 3.990 1.00 5.24 H new ATOM 0 HG22 ILE A 68 10.404 -4.072 2.572 1.00 5.24 H new ATOM 0 HG23 ILE A 68 9.577 -2.571 3.052 1.00 5.24 H new ATOM 0 HD11 ILE A 68 9.604 -2.460 7.326 1.00 44.50 H new ATOM 0 HD12 ILE A 68 10.581 -3.831 6.749 1.00 44.50 H new ATOM 0 HD13 ILE A 68 10.556 -2.307 5.830 1.00 44.50 H new ATOM 1110 N LYS A 69 8.940 -6.029 1.818 1.00 44.51 N ATOM 1111 CA LYS A 69 9.349 -6.381 0.452 1.00 61.21 C ATOM 1112 C LYS A 69 8.114 -6.716 -0.396 1.00 12.51 C ATOM 1113 O LYS A 69 7.949 -6.179 -1.497 1.00 4.31 O ATOM 1114 CB LYS A 69 10.343 -7.569 0.473 1.00 32.42 C ATOM 1115 CG LYS A 69 10.945 -7.929 -0.910 1.00 54.13 C ATOM 1116 CD LYS A 69 11.875 -9.167 -0.862 1.00 30.14 C ATOM 1117 CE LYS A 69 13.085 -8.977 0.069 1.00 23.14 C ATOM 1118 NZ LYS A 69 13.925 -10.201 0.156 1.00 45.34 N ATOM 0 H LYS A 69 9.363 -6.616 2.537 1.00 44.51 H new ATOM 0 HA LYS A 69 9.855 -5.526 0.003 1.00 61.21 H new ATOM 0 HB2 LYS A 69 11.157 -7.333 1.159 1.00 32.42 H new ATOM 0 HB3 LYS A 69 9.833 -8.446 0.872 1.00 32.42 H new ATOM 0 HG2 LYS A 69 10.135 -8.117 -1.615 1.00 54.13 H new ATOM 0 HG3 LYS A 69 11.506 -7.075 -1.289 1.00 54.13 H new ATOM 0 HD2 LYS A 69 11.301 -10.032 -0.530 1.00 30.14 H new ATOM 0 HD3 LYS A 69 12.230 -9.387 -1.869 1.00 30.14 H new ATOM 0 HE2 LYS A 69 13.692 -8.147 -0.292 1.00 23.14 H new ATOM 0 HE3 LYS A 69 12.736 -8.707 1.065 1.00 23.14 H new ATOM 0 HZ1 LYS A 69 14.728 -10.026 0.794 1.00 45.34 H new ATOM 0 HZ2 LYS A 69 13.354 -10.988 0.525 1.00 45.34 H new ATOM 0 HZ3 LYS A 69 14.281 -10.446 -0.790 1.00 45.34 H new ATOM 1132 N GLN A 70 7.214 -7.541 0.191 1.00 42.12 N ATOM 1133 CA GLN A 70 5.961 -7.955 -0.451 1.00 12.22 C ATOM 1134 C GLN A 70 5.133 -6.740 -0.863 1.00 54.12 C ATOM 1135 O GLN A 70 4.845 -6.570 -2.042 1.00 53.01 O ATOM 1136 CB GLN A 70 5.120 -8.878 0.481 1.00 52.52 C ATOM 1137 CG GLN A 70 5.690 -10.296 0.665 1.00 44.15 C ATOM 1138 CD GLN A 70 5.809 -11.080 -0.651 1.00 53.32 C ATOM 1139 OE1 GLN A 70 5.016 -10.898 -1.581 1.00 62.30 O ATOM 1140 NE2 GLN A 70 6.801 -11.953 -0.744 1.00 4.02 N ATOM 0 H GLN A 70 7.344 -7.934 1.123 1.00 42.12 H new ATOM 0 HA GLN A 70 6.227 -8.521 -1.344 1.00 12.22 H new ATOM 0 HB2 GLN A 70 5.036 -8.405 1.459 1.00 52.52 H new ATOM 0 HB3 GLN A 70 4.110 -8.956 0.078 1.00 52.52 H new ATOM 0 HG2 GLN A 70 6.674 -10.227 1.129 1.00 44.15 H new ATOM 0 HG3 GLN A 70 5.052 -10.850 1.353 1.00 44.15 H new ATOM 0 HE21 GLN A 70 7.441 -12.083 0.039 1.00 4.02 H new ATOM 0 HE22 GLN A 70 6.925 -12.495 -1.599 1.00 4.02 H new ATOM 1149 N THR A 71 4.811 -5.868 0.106 1.00 62.11 N ATOM 1150 CA THR A 71 3.891 -4.748 -0.131 1.00 34.44 C ATOM 1151 C THR A 71 4.486 -3.711 -1.098 1.00 11.23 C ATOM 1152 O THR A 71 3.740 -3.028 -1.775 1.00 74.15 O ATOM 1153 CB THR A 71 3.427 -4.065 1.194 1.00 23.13 C ATOM 1154 OG1 THR A 71 2.312 -3.201 0.927 1.00 32.55 O ATOM 1155 CG2 THR A 71 4.533 -3.257 1.895 1.00 52.32 C ATOM 0 H THR A 71 5.174 -5.918 1.058 1.00 62.11 H new ATOM 0 HA THR A 71 3.007 -5.179 -0.601 1.00 34.44 H new ATOM 0 HB THR A 71 3.147 -4.872 1.871 1.00 23.13 H new ATOM 0 HG1 THR A 71 2.094 -3.234 -0.028 1.00 32.55 H new ATOM 0 HG21 THR A 71 4.136 -2.812 2.807 1.00 52.32 H new ATOM 0 HG22 THR A 71 5.363 -3.917 2.145 1.00 52.32 H new ATOM 0 HG23 THR A 71 4.884 -2.468 1.230 1.00 52.32 H new ATOM 1163 N LEU A 72 5.829 -3.625 -1.164 1.00 34.21 N ATOM 1164 CA LEU A 72 6.536 -2.725 -2.102 1.00 2.34 C ATOM 1165 C LEU A 72 6.523 -3.284 -3.545 1.00 51.12 C ATOM 1166 O LEU A 72 6.467 -2.515 -4.507 1.00 4.11 O ATOM 1167 CB LEU A 72 7.986 -2.490 -1.610 1.00 31.54 C ATOM 1168 CG LEU A 72 8.143 -1.631 -0.313 1.00 53.41 C ATOM 1169 CD1 LEU A 72 9.585 -1.714 0.230 1.00 63.21 C ATOM 1170 CD2 LEU A 72 7.713 -0.164 -0.557 1.00 42.22 C ATOM 0 H LEU A 72 6.453 -4.174 -0.573 1.00 34.21 H new ATOM 0 HA LEU A 72 6.011 -1.770 -2.124 1.00 2.34 H new ATOM 0 HB2 LEU A 72 8.451 -3.461 -1.437 1.00 31.54 H new ATOM 0 HB3 LEU A 72 8.546 -2.007 -2.411 1.00 31.54 H new ATOM 0 HG LEU A 72 7.478 -2.043 0.446 1.00 53.41 H new ATOM 0 HD11 LEU A 72 9.669 -1.108 1.132 1.00 63.21 H new ATOM 0 HD12 LEU A 72 9.826 -2.751 0.465 1.00 63.21 H new ATOM 0 HD13 LEU A 72 10.279 -1.342 -0.523 1.00 63.21 H new ATOM 0 HD21 LEU A 72 7.833 0.408 0.363 1.00 42.22 H new ATOM 0 HD22 LEU A 72 8.334 0.272 -1.339 1.00 42.22 H new ATOM 0 HD23 LEU A 72 6.668 -0.138 -0.866 1.00 42.22 H new ATOM 1182 N ASP A 73 6.582 -4.623 -3.681 1.00 73.51 N ATOM 1183 CA ASP A 73 6.482 -5.303 -4.997 1.00 25.42 C ATOM 1184 C ASP A 73 5.034 -5.244 -5.518 1.00 1.14 C ATOM 1185 O ASP A 73 4.785 -4.936 -6.692 1.00 43.13 O ATOM 1186 CB ASP A 73 6.943 -6.787 -4.895 1.00 55.44 C ATOM 1187 CG ASP A 73 8.449 -6.966 -4.610 1.00 24.03 C ATOM 1188 OD1 ASP A 73 9.275 -6.346 -5.316 1.00 31.32 O ATOM 1189 OD2 ASP A 73 8.814 -7.758 -3.713 1.00 3.03 O ATOM 0 H ASP A 73 6.699 -5.262 -2.894 1.00 73.51 H new ATOM 0 HA ASP A 73 7.138 -4.783 -5.695 1.00 25.42 H new ATOM 0 HB2 ASP A 73 6.375 -7.278 -4.105 1.00 55.44 H new ATOM 0 HB3 ASP A 73 6.699 -7.296 -5.827 1.00 55.44 H new ATOM 1194 N ASN A 74 4.088 -5.527 -4.606 1.00 4.24 N ATOM 1195 CA ASN A 74 2.645 -5.538 -4.897 1.00 11.51 C ATOM 1196 C ASN A 74 2.124 -4.113 -5.118 1.00 61.10 C ATOM 1197 O ASN A 74 1.149 -3.928 -5.843 1.00 35.35 O ATOM 1198 CB ASN A 74 1.844 -6.241 -3.761 1.00 2.51 C ATOM 1199 CG ASN A 74 1.995 -7.769 -3.752 1.00 12.24 C ATOM 1200 OD1 ASN A 74 1.320 -8.466 -4.499 1.00 3.35 O ATOM 1201 ND2 ASN A 74 2.809 -8.308 -2.861 1.00 34.14 N ATOM 0 H ASN A 74 4.307 -5.757 -3.637 1.00 4.24 H new ATOM 0 HA ASN A 74 2.497 -6.107 -5.815 1.00 11.51 H new ATOM 0 HB2 ASN A 74 2.173 -5.847 -2.799 1.00 2.51 H new ATOM 0 HB3 ASN A 74 0.788 -5.990 -3.864 1.00 2.51 H new ATOM 0 HD21 ASN A 74 2.884 -9.323 -2.786 1.00 34.14 H new ATOM 0 HD22 ASN A 74 3.363 -7.709 -2.248 1.00 34.14 H new ATOM 1208 N GLU A 75 2.780 -3.111 -4.490 1.00 73.13 N ATOM 1209 CA GLU A 75 2.461 -1.687 -4.712 1.00 60.23 C ATOM 1210 C GLU A 75 3.085 -1.205 -6.024 1.00 33.43 C ATOM 1211 O GLU A 75 2.493 -0.403 -6.709 1.00 24.44 O ATOM 1212 CB GLU A 75 2.941 -0.792 -3.547 1.00 41.12 C ATOM 1213 CG GLU A 75 2.608 0.700 -3.711 1.00 13.45 C ATOM 1214 CD GLU A 75 3.174 1.562 -2.587 1.00 23.32 C ATOM 1215 OE1 GLU A 75 2.482 1.733 -1.563 1.00 54.42 O ATOM 1216 OE2 GLU A 75 4.311 2.077 -2.740 1.00 64.13 O ATOM 0 H GLU A 75 3.536 -3.266 -3.823 1.00 73.13 H new ATOM 0 HA GLU A 75 1.375 -1.605 -4.767 1.00 60.23 H new ATOM 0 HB2 GLU A 75 2.493 -1.152 -2.621 1.00 41.12 H new ATOM 0 HB3 GLU A 75 4.020 -0.901 -3.442 1.00 41.12 H new ATOM 0 HG2 GLU A 75 3.001 1.052 -4.665 1.00 13.45 H new ATOM 0 HG3 GLU A 75 1.526 0.824 -3.747 1.00 13.45 H new ATOM 1223 N GLN A 76 4.289 -1.690 -6.367 1.00 75.34 N ATOM 1224 CA GLN A 76 4.917 -1.387 -7.678 1.00 41.12 C ATOM 1225 C GLN A 76 3.976 -1.836 -8.813 1.00 63.14 C ATOM 1226 O GLN A 76 3.747 -1.108 -9.785 1.00 32.04 O ATOM 1227 CB GLN A 76 6.286 -2.097 -7.805 1.00 51.14 C ATOM 1228 CG GLN A 76 6.997 -1.889 -9.163 1.00 53.23 C ATOM 1229 CD GLN A 76 8.246 -2.754 -9.362 1.00 61.11 C ATOM 1230 OE1 GLN A 76 9.196 -2.344 -10.036 1.00 53.20 O ATOM 1231 NE2 GLN A 76 8.248 -3.967 -8.816 1.00 50.11 N ATOM 0 H GLN A 76 4.850 -2.291 -5.763 1.00 75.34 H new ATOM 0 HA GLN A 76 5.085 -0.312 -7.751 1.00 41.12 H new ATOM 0 HB2 GLN A 76 6.940 -1.741 -7.009 1.00 51.14 H new ATOM 0 HB3 GLN A 76 6.142 -3.166 -7.645 1.00 51.14 H new ATOM 0 HG2 GLN A 76 6.291 -2.102 -9.966 1.00 53.23 H new ATOM 0 HG3 GLN A 76 7.278 -0.840 -9.255 1.00 53.23 H new ATOM 0 HE21 GLN A 76 7.449 -4.279 -8.264 1.00 50.11 H new ATOM 0 HE22 GLN A 76 9.048 -4.585 -8.949 1.00 50.11 H new ATOM 1240 N LEU A 77 3.404 -3.031 -8.624 1.00 41.55 N ATOM 1241 CA LEU A 77 2.426 -3.621 -9.541 1.00 32.10 C ATOM 1242 C LEU A 77 1.051 -2.906 -9.457 1.00 51.25 C ATOM 1243 O LEU A 77 0.393 -2.750 -10.478 1.00 42.44 O ATOM 1244 CB LEU A 77 2.305 -5.137 -9.244 1.00 75.42 C ATOM 1245 CG LEU A 77 3.519 -6.024 -9.671 1.00 25.10 C ATOM 1246 CD1 LEU A 77 3.407 -7.452 -9.091 1.00 71.31 C ATOM 1247 CD2 LEU A 77 3.648 -6.058 -11.210 1.00 63.13 C ATOM 0 H LEU A 77 3.611 -3.622 -7.819 1.00 41.55 H new ATOM 0 HA LEU A 77 2.774 -3.486 -10.565 1.00 32.10 H new ATOM 0 HB2 LEU A 77 2.148 -5.265 -8.173 1.00 75.42 H new ATOM 0 HB3 LEU A 77 1.413 -5.514 -9.744 1.00 75.42 H new ATOM 0 HG LEU A 77 4.424 -5.577 -9.260 1.00 25.10 H new ATOM 0 HD11 LEU A 77 4.267 -8.042 -9.408 1.00 71.31 H new ATOM 0 HD12 LEU A 77 3.382 -7.402 -8.002 1.00 71.31 H new ATOM 0 HD13 LEU A 77 2.492 -7.921 -9.453 1.00 71.31 H new ATOM 0 HD21 LEU A 77 4.498 -6.680 -11.490 1.00 63.13 H new ATOM 0 HD22 LEU A 77 2.737 -6.472 -11.642 1.00 63.13 H new ATOM 0 HD23 LEU A 77 3.800 -5.046 -11.585 1.00 63.13 H new ATOM 1259 N LEU A 78 0.630 -2.472 -8.244 1.00 72.33 N ATOM 1260 CA LEU A 78 -0.651 -1.731 -8.040 1.00 21.43 C ATOM 1261 C LEU A 78 -0.562 -0.333 -8.673 1.00 3.12 C ATOM 1262 O LEU A 78 -1.257 -0.035 -9.625 1.00 61.31 O ATOM 1263 CB LEU A 78 -0.994 -1.602 -6.505 1.00 72.13 C ATOM 1264 CG LEU A 78 -2.025 -2.619 -5.933 1.00 0.15 C ATOM 1265 CD1 LEU A 78 -2.117 -2.509 -4.393 1.00 64.43 C ATOM 1266 CD2 LEU A 78 -3.412 -2.417 -6.592 1.00 40.40 C ATOM 0 H LEU A 78 1.158 -2.621 -7.384 1.00 72.33 H new ATOM 0 HA LEU A 78 -1.448 -2.296 -8.524 1.00 21.43 H new ATOM 0 HB2 LEU A 78 -0.068 -1.702 -5.939 1.00 72.13 H new ATOM 0 HB3 LEU A 78 -1.372 -0.596 -6.324 1.00 72.13 H new ATOM 0 HG LEU A 78 -1.680 -3.625 -6.172 1.00 0.15 H new ATOM 0 HD11 LEU A 78 -2.844 -3.230 -4.020 1.00 64.43 H new ATOM 0 HD12 LEU A 78 -1.141 -2.717 -3.954 1.00 64.43 H new ATOM 0 HD13 LEU A 78 -2.431 -1.502 -4.118 1.00 64.43 H new ATOM 0 HD21 LEU A 78 -4.119 -3.137 -6.180 1.00 40.40 H new ATOM 0 HD22 LEU A 78 -3.766 -1.405 -6.392 1.00 40.40 H new ATOM 0 HD23 LEU A 78 -3.329 -2.566 -7.668 1.00 40.40 H new ATOM 1278 N LYS A 79 0.330 0.483 -8.107 1.00 21.14 N ATOM 1279 CA LYS A 79 0.637 1.858 -8.533 1.00 45.33 C ATOM 1280 C LYS A 79 1.016 1.922 -10.026 1.00 13.01 C ATOM 1281 O LYS A 79 0.626 2.860 -10.718 1.00 23.44 O ATOM 1282 CB LYS A 79 1.765 2.402 -7.603 1.00 33.34 C ATOM 1283 CG LYS A 79 2.258 3.849 -7.837 1.00 53.43 C ATOM 1284 CD LYS A 79 3.230 4.322 -6.708 1.00 22.42 C ATOM 1285 CE LYS A 79 4.458 3.396 -6.528 1.00 32.42 C ATOM 1286 NZ LYS A 79 5.294 3.772 -5.346 1.00 24.03 N ATOM 0 H LYS A 79 0.886 0.194 -7.302 1.00 21.14 H new ATOM 0 HA LYS A 79 -0.246 2.490 -8.437 1.00 45.33 H new ATOM 0 HB2 LYS A 79 1.414 2.330 -6.574 1.00 33.34 H new ATOM 0 HB3 LYS A 79 2.624 1.737 -7.694 1.00 33.34 H new ATOM 0 HG2 LYS A 79 2.764 3.909 -8.801 1.00 53.43 H new ATOM 0 HG3 LYS A 79 1.401 4.521 -7.884 1.00 53.43 H new ATOM 0 HD2 LYS A 79 3.575 5.331 -6.934 1.00 22.42 H new ATOM 0 HD3 LYS A 79 2.683 4.376 -5.767 1.00 22.42 H new ATOM 0 HE2 LYS A 79 4.118 2.366 -6.415 1.00 32.42 H new ATOM 0 HE3 LYS A 79 5.071 3.433 -7.428 1.00 32.42 H new ATOM 0 HZ1 LYS A 79 6.032 3.054 -5.201 1.00 24.03 H new ATOM 0 HZ2 LYS A 79 5.739 4.697 -5.515 1.00 24.03 H new ATOM 0 HZ3 LYS A 79 4.693 3.827 -4.499 1.00 24.03 H new ATOM 1300 N GLY A 80 1.734 0.887 -10.506 1.00 21.12 N ATOM 1301 CA GLY A 80 2.093 0.760 -11.924 1.00 52.01 C ATOM 1302 C GLY A 80 0.891 0.503 -12.836 1.00 25.12 C ATOM 1303 O GLY A 80 0.707 1.208 -13.842 1.00 75.40 O ATOM 0 H GLY A 80 2.077 0.123 -9.923 1.00 21.12 H new ATOM 0 HA2 GLY A 80 2.596 1.672 -12.247 1.00 52.01 H new ATOM 0 HA3 GLY A 80 2.807 -0.055 -12.038 1.00 52.01 H new ATOM 1307 N LEU A 81 0.073 -0.509 -12.470 1.00 3.30 N ATOM 1308 CA LEU A 81 -1.126 -0.923 -13.240 1.00 62.15 C ATOM 1309 C LEU A 81 -2.130 0.227 -13.300 1.00 44.24 C ATOM 1310 O LEU A 81 -2.584 0.619 -14.374 1.00 5.13 O ATOM 1311 CB LEU A 81 -1.746 -2.191 -12.568 1.00 5.31 C ATOM 1312 CG LEU A 81 -3.019 -2.854 -13.224 1.00 21.33 C ATOM 1313 CD1 LEU A 81 -3.085 -4.359 -12.882 1.00 21.31 C ATOM 1314 CD2 LEU A 81 -4.339 -2.157 -12.790 1.00 21.12 C ATOM 0 H LEU A 81 0.225 -1.065 -11.629 1.00 3.30 H new ATOM 0 HA LEU A 81 -0.849 -1.172 -14.265 1.00 62.15 H new ATOM 0 HB2 LEU A 81 -0.967 -2.952 -12.517 1.00 5.31 H new ATOM 0 HB3 LEU A 81 -2.003 -1.928 -11.542 1.00 5.31 H new ATOM 0 HG LEU A 81 -2.919 -2.730 -14.302 1.00 21.33 H new ATOM 0 HD11 LEU A 81 -3.969 -4.798 -13.343 1.00 21.31 H new ATOM 0 HD12 LEU A 81 -2.193 -4.858 -13.261 1.00 21.31 H new ATOM 0 HD13 LEU A 81 -3.139 -4.484 -11.801 1.00 21.31 H new ATOM 0 HD21 LEU A 81 -5.185 -2.650 -13.268 1.00 21.12 H new ATOM 0 HD22 LEU A 81 -4.446 -2.222 -11.707 1.00 21.12 H new ATOM 0 HD23 LEU A 81 -4.313 -1.109 -13.090 1.00 21.12 H new ATOM 1326 N LEU A 82 -2.446 0.746 -12.111 1.00 35.21 N ATOM 1327 CA LEU A 82 -3.406 1.823 -11.900 1.00 24.52 C ATOM 1328 C LEU A 82 -2.977 3.116 -12.596 1.00 64.44 C ATOM 1329 O LEU A 82 -3.825 3.795 -13.158 1.00 33.13 O ATOM 1330 CB LEU A 82 -3.617 2.028 -10.377 1.00 60.21 C ATOM 1331 CG LEU A 82 -4.484 0.926 -9.686 1.00 74.21 C ATOM 1332 CD1 LEU A 82 -4.316 0.930 -8.155 1.00 0.53 C ATOM 1333 CD2 LEU A 82 -5.960 1.095 -10.085 1.00 73.23 C ATOM 0 H LEU A 82 -2.025 0.415 -11.243 1.00 35.21 H new ATOM 0 HA LEU A 82 -4.356 1.540 -12.353 1.00 24.52 H new ATOM 0 HB2 LEU A 82 -2.642 2.063 -9.890 1.00 60.21 H new ATOM 0 HB3 LEU A 82 -4.089 2.997 -10.216 1.00 60.21 H new ATOM 0 HG LEU A 82 -4.132 -0.045 -10.034 1.00 74.21 H new ATOM 0 HD11 LEU A 82 -4.937 0.148 -7.719 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -3.271 0.747 -7.903 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -4.620 1.899 -7.758 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -6.559 0.324 -9.600 1.00 73.23 H new ATOM 0 HD22 LEU A 82 -6.311 2.078 -9.771 1.00 73.23 H new ATOM 0 HD23 LEU A 82 -6.057 1.003 -11.167 1.00 73.23 H new ATOM 1345 N GLN A 83 -1.661 3.441 -12.577 1.00 15.32 N ATOM 1346 CA GLN A 83 -1.153 4.628 -13.297 1.00 55.10 C ATOM 1347 C GLN A 83 -1.346 4.451 -14.802 1.00 12.31 C ATOM 1348 O GLN A 83 -1.864 5.345 -15.452 1.00 0.00 O ATOM 1349 CB GLN A 83 0.337 4.921 -12.990 1.00 31.42 C ATOM 1350 CG GLN A 83 0.900 6.199 -13.664 1.00 1.20 C ATOM 1351 CD GLN A 83 0.134 7.480 -13.294 1.00 13.30 C ATOM 1352 OE1 GLN A 83 0.431 8.123 -12.290 1.00 31.50 O ATOM 1353 NE2 GLN A 83 -0.832 7.877 -14.117 1.00 10.30 N ATOM 0 H GLN A 83 -0.947 2.908 -12.081 1.00 15.32 H new ATOM 0 HA GLN A 83 -1.730 5.484 -12.945 1.00 55.10 H new ATOM 0 HB2 GLN A 83 0.460 5.012 -11.911 1.00 31.42 H new ATOM 0 HB3 GLN A 83 0.934 4.066 -13.308 1.00 31.42 H new ATOM 0 HG2 GLN A 83 1.946 6.317 -13.382 1.00 1.20 H new ATOM 0 HG3 GLN A 83 0.874 6.070 -14.746 1.00 1.20 H new ATOM 0 HE21 GLN A 83 -1.057 7.323 -14.943 1.00 10.30 H new ATOM 0 HE22 GLN A 83 -1.348 8.735 -13.922 1.00 10.30 H new ATOM 1362 N GLN A 84 -0.963 3.268 -15.324 1.00 63.13 N ATOM 1363 CA GLN A 84 -1.071 2.952 -16.763 1.00 34.21 C ATOM 1364 C GLN A 84 -2.548 2.972 -17.226 1.00 73.53 C ATOM 1365 O GLN A 84 -2.871 3.435 -18.332 1.00 72.14 O ATOM 1366 CB GLN A 84 -0.416 1.574 -17.057 1.00 22.14 C ATOM 1367 CG GLN A 84 -0.345 1.194 -18.552 1.00 13.41 C ATOM 1368 CD GLN A 84 0.447 2.203 -19.393 1.00 43.13 C ATOM 1369 OE1 GLN A 84 1.662 2.075 -19.567 1.00 74.33 O ATOM 1370 NE2 GLN A 84 -0.227 3.220 -19.909 1.00 5.45 N ATOM 0 H GLN A 84 -0.573 2.510 -14.765 1.00 63.13 H new ATOM 0 HA GLN A 84 -0.538 3.718 -17.327 1.00 34.21 H new ATOM 0 HB2 GLN A 84 0.595 1.574 -16.649 1.00 22.14 H new ATOM 0 HB3 GLN A 84 -0.974 0.802 -16.527 1.00 22.14 H new ATOM 0 HG2 GLN A 84 0.114 0.210 -18.649 1.00 13.41 H new ATOM 0 HG3 GLN A 84 -1.357 1.115 -18.949 1.00 13.41 H new ATOM 0 HE21 GLN A 84 -1.231 3.300 -19.749 1.00 5.45 H new ATOM 0 HE22 GLN A 84 0.258 3.923 -20.467 1.00 5.45 H new ATOM 1379 N ARG A 85 -3.432 2.513 -16.333 1.00 43.24 N ATOM 1380 CA ARG A 85 -4.868 2.394 -16.595 1.00 43.52 C ATOM 1381 C ARG A 85 -5.522 3.791 -16.511 1.00 51.13 C ATOM 1382 O ARG A 85 -6.471 4.069 -17.235 1.00 51.25 O ATOM 1383 CB ARG A 85 -5.482 1.360 -15.596 1.00 10.31 C ATOM 1384 CG ARG A 85 -6.923 0.869 -15.916 1.00 71.52 C ATOM 1385 CD ARG A 85 -8.035 1.710 -15.261 1.00 71.33 C ATOM 1386 NE ARG A 85 -9.365 1.318 -15.755 1.00 62.25 N ATOM 1387 CZ ARG A 85 -10.541 1.593 -15.169 1.00 52.22 C ATOM 1388 NH1 ARG A 85 -10.608 2.273 -14.026 1.00 42.42 N ATOM 1389 NH2 ARG A 85 -11.653 1.189 -15.755 1.00 11.53 N ATOM 0 H ARG A 85 -3.165 2.210 -15.396 1.00 43.24 H new ATOM 0 HA ARG A 85 -5.058 2.020 -17.601 1.00 43.52 H new ATOM 0 HB2 ARG A 85 -4.825 0.491 -15.555 1.00 10.31 H new ATOM 0 HB3 ARG A 85 -5.485 1.805 -14.601 1.00 10.31 H new ATOM 0 HG2 ARG A 85 -7.066 0.876 -16.997 1.00 71.52 H new ATOM 0 HG3 ARG A 85 -7.024 -0.166 -15.588 1.00 71.52 H new ATOM 0 HD2 ARG A 85 -7.996 1.588 -14.179 1.00 71.33 H new ATOM 0 HD3 ARG A 85 -7.865 2.766 -15.469 1.00 71.33 H new ATOM 0 HE ARG A 85 -9.396 0.787 -16.625 1.00 62.25 H new ATOM 0 HH11 ARG A 85 -9.753 2.598 -13.575 1.00 42.42 H new ATOM 0 HH12 ARG A 85 -11.515 2.469 -13.601 1.00 42.42 H new ATOM 0 HH21 ARG A 85 -11.608 0.678 -16.637 1.00 11.53 H new ATOM 0 HH22 ARG A 85 -12.557 1.388 -15.326 1.00 11.53 H new ATOM 1403 N LEU A 86 -4.973 4.674 -15.642 1.00 70.21 N ATOM 1404 CA LEU A 86 -5.398 6.094 -15.547 1.00 65.43 C ATOM 1405 C LEU A 86 -4.838 6.905 -16.721 1.00 14.42 C ATOM 1406 O LEU A 86 -5.464 7.883 -17.139 1.00 4.13 O ATOM 1407 CB LEU A 86 -4.950 6.738 -14.206 1.00 52.52 C ATOM 1408 CG LEU A 86 -5.685 6.250 -12.920 1.00 23.21 C ATOM 1409 CD1 LEU A 86 -5.007 6.823 -11.659 1.00 74.21 C ATOM 1410 CD2 LEU A 86 -7.196 6.586 -12.958 1.00 64.10 C ATOM 0 H LEU A 86 -4.228 4.425 -14.991 1.00 70.21 H new ATOM 0 HA LEU A 86 -6.487 6.108 -15.586 1.00 65.43 H new ATOM 0 HB2 LEU A 86 -3.883 6.555 -14.079 1.00 52.52 H new ATOM 0 HB3 LEU A 86 -5.081 7.817 -14.285 1.00 52.52 H new ATOM 0 HG LEU A 86 -5.607 5.163 -12.882 1.00 23.21 H new ATOM 0 HD11 LEU A 86 -5.533 6.472 -10.771 1.00 74.21 H new ATOM 0 HD12 LEU A 86 -3.970 6.491 -11.621 1.00 74.21 H new ATOM 0 HD13 LEU A 86 -5.038 7.912 -11.692 1.00 74.21 H new ATOM 0 HD21 LEU A 86 -7.671 6.229 -12.044 1.00 64.10 H new ATOM 0 HD22 LEU A 86 -7.327 7.665 -13.038 1.00 64.10 H new ATOM 0 HD23 LEU A 86 -7.655 6.100 -13.819 1.00 64.10 H new ATOM 1422 N ASP A 87 -3.653 6.495 -17.238 1.00 12.32 N ATOM 1423 CA ASP A 87 -3.066 7.091 -18.455 1.00 31.30 C ATOM 1424 C ASP A 87 -4.037 6.864 -19.606 1.00 5.41 C ATOM 1425 O ASP A 87 -4.356 7.785 -20.365 1.00 50.10 O ATOM 1426 CB ASP A 87 -1.679 6.462 -18.842 1.00 74.12 C ATOM 1427 CG ASP A 87 -0.531 6.664 -17.835 1.00 54.31 C ATOM 1428 OD1 ASP A 87 0.417 5.840 -17.826 1.00 25.41 O ATOM 1429 OD2 ASP A 87 -0.554 7.637 -17.060 1.00 64.21 O ATOM 0 H ASP A 87 -3.087 5.752 -16.827 1.00 12.32 H new ATOM 0 HA ASP A 87 -2.897 8.149 -18.257 1.00 31.30 H new ATOM 0 HB2 ASP A 87 -1.819 5.391 -18.990 1.00 74.12 H new ATOM 0 HB3 ASP A 87 -1.370 6.879 -19.801 1.00 74.12 H new ATOM 1434 N GLU A 88 -4.518 5.601 -19.681 1.00 54.22 N ATOM 1435 CA GLU A 88 -5.466 5.156 -20.700 1.00 53.52 C ATOM 1436 C GLU A 88 -6.771 5.954 -20.603 1.00 63.33 C ATOM 1437 O GLU A 88 -7.093 6.680 -21.532 1.00 44.12 O ATOM 1438 CB GLU A 88 -5.719 3.634 -20.574 1.00 45.54 C ATOM 1439 CG GLU A 88 -6.597 3.039 -21.695 1.00 24.55 C ATOM 1440 CD GLU A 88 -6.677 1.506 -21.648 1.00 33.25 C ATOM 1441 OE1 GLU A 88 -5.736 0.840 -22.143 1.00 53.42 O ATOM 1442 OE2 GLU A 88 -7.670 0.962 -21.122 1.00 11.14 O ATOM 0 H GLU A 88 -4.250 4.866 -19.026 1.00 54.22 H new ATOM 0 HA GLU A 88 -5.038 5.341 -21.685 1.00 53.52 H new ATOM 0 HB2 GLU A 88 -4.759 3.118 -20.568 1.00 45.54 H new ATOM 0 HB3 GLU A 88 -6.194 3.435 -19.613 1.00 45.54 H new ATOM 0 HG2 GLU A 88 -7.603 3.452 -21.618 1.00 24.55 H new ATOM 0 HG3 GLU A 88 -6.199 3.347 -22.662 1.00 24.55 H new ATOM 1449 N LEU A 89 -7.456 5.867 -19.435 1.00 44.30 N ATOM 1450 CA LEU A 89 -8.752 6.555 -19.176 1.00 43.51 C ATOM 1451 C LEU A 89 -8.689 8.044 -19.542 1.00 33.21 C ATOM 1452 O LEU A 89 -9.498 8.537 -20.328 1.00 21.41 O ATOM 1453 CB LEU A 89 -9.148 6.430 -17.680 1.00 72.32 C ATOM 1454 CG LEU A 89 -9.458 5.003 -17.154 1.00 52.43 C ATOM 1455 CD1 LEU A 89 -9.617 5.019 -15.618 1.00 0.02 C ATOM 1456 CD2 LEU A 89 -10.696 4.396 -17.861 1.00 64.41 C ATOM 0 H LEU A 89 -7.126 5.317 -18.642 1.00 44.30 H new ATOM 0 HA LEU A 89 -9.498 6.068 -19.803 1.00 43.51 H new ATOM 0 HB2 LEU A 89 -8.339 6.845 -17.079 1.00 72.32 H new ATOM 0 HB3 LEU A 89 -10.025 7.053 -17.508 1.00 72.32 H new ATOM 0 HG LEU A 89 -8.614 4.356 -17.394 1.00 52.43 H new ATOM 0 HD11 LEU A 89 -9.834 4.011 -15.264 1.00 0.02 H new ATOM 0 HD12 LEU A 89 -8.693 5.373 -15.160 1.00 0.02 H new ATOM 0 HD13 LEU A 89 -10.436 5.684 -15.344 1.00 0.02 H new ATOM 0 HD21 LEU A 89 -10.885 3.397 -17.469 1.00 64.41 H new ATOM 0 HD22 LEU A 89 -11.565 5.028 -17.679 1.00 64.41 H new ATOM 0 HD23 LEU A 89 -10.510 4.336 -18.933 1.00 64.41 H new ATOM 1468 N SER A 90 -7.686 8.731 -18.983 1.00 72.01 N ATOM 1469 CA SER A 90 -7.519 10.181 -19.146 1.00 73.30 C ATOM 1470 C SER A 90 -7.117 10.550 -20.594 1.00 53.42 C ATOM 1471 O SER A 90 -7.345 11.680 -21.024 1.00 62.45 O ATOM 1472 CB SER A 90 -6.486 10.691 -18.123 1.00 14.45 C ATOM 1473 OG SER A 90 -6.903 10.421 -16.790 1.00 53.52 O ATOM 0 H SER A 90 -6.966 8.298 -18.404 1.00 72.01 H new ATOM 0 HA SER A 90 -8.475 10.670 -18.958 1.00 73.30 H new ATOM 0 HB2 SER A 90 -5.522 10.216 -18.308 1.00 14.45 H new ATOM 0 HB3 SER A 90 -6.343 11.764 -18.251 1.00 14.45 H new ATOM 0 HG SER A 90 -6.571 9.541 -16.515 1.00 53.52 H new ATOM 1819 N MET A1001 -13.481 8.471 -9.262 1.00 1.23 N ATOM 1820 CA MET A1001 -12.470 7.414 -9.513 1.00 62.55 C ATOM 1821 C MET A1001 -11.083 8.006 -9.808 1.00 33.40 C ATOM 1822 O MET A1001 -10.074 7.524 -9.276 1.00 12.04 O ATOM 1823 CB MET A1001 -12.927 6.524 -10.702 1.00 51.34 C ATOM 1824 CG MET A1001 -11.926 5.449 -11.164 1.00 34.41 C ATOM 1825 SD MET A1001 -12.464 4.590 -12.663 1.00 3.22 S ATOM 1826 CE MET A1001 -12.741 5.959 -13.798 1.00 65.51 C ATOM 0 HA MET A1001 -12.387 6.812 -8.608 1.00 62.55 H new ATOM 0 HB2 MET A1001 -13.858 6.030 -10.423 1.00 51.34 H new ATOM 0 HB3 MET A1001 -13.151 7.172 -11.550 1.00 51.34 H new ATOM 0 HG2 MET A1001 -10.957 5.915 -11.345 1.00 34.41 H new ATOM 0 HG3 MET A1001 -11.786 4.722 -10.364 1.00 34.41 H new ATOM 0 HE1 MET A1001 -12.707 5.593 -14.824 1.00 65.51 H new ATOM 0 HE2 MET A1001 -13.718 6.402 -13.602 1.00 65.51 H new ATOM 0 HE3 MET A1001 -11.966 6.712 -13.656 1.00 65.51 H new ATOM 1836 N THR A1002 -11.048 9.057 -10.650 1.00 0.33 N ATOM 1837 CA THR A1002 -9.791 9.705 -11.043 1.00 53.40 C ATOM 1838 C THR A1002 -9.114 10.395 -9.839 1.00 72.40 C ATOM 1839 O THR A1002 -7.965 10.084 -9.544 1.00 32.34 O ATOM 1840 CB THR A1002 -10.009 10.709 -12.215 1.00 44.30 C ATOM 1841 OG1 THR A1002 -11.080 11.604 -11.888 1.00 31.45 O ATOM 1842 CG2 THR A1002 -10.327 9.991 -13.545 1.00 71.03 C ATOM 0 H THR A1002 -11.880 9.473 -11.069 1.00 0.33 H new ATOM 0 HA THR A1002 -9.120 8.923 -11.399 1.00 53.40 H new ATOM 0 HB THR A1002 -9.080 11.263 -12.351 1.00 44.30 H new ATOM 0 HG1 THR A1002 -11.215 12.236 -12.625 1.00 31.45 H new ATOM 0 HG21 THR A1002 -10.471 10.731 -14.332 1.00 71.03 H new ATOM 0 HG22 THR A1002 -9.499 9.334 -13.811 1.00 71.03 H new ATOM 0 HG23 THR A1002 -11.236 9.400 -13.431 1.00 71.03 H new ATOM 1850 N THR A1003 -9.847 11.285 -9.123 1.00 64.20 N ATOM 1851 CA THR A1003 -9.296 12.015 -7.945 1.00 12.51 C ATOM 1852 C THR A1003 -8.779 11.038 -6.868 1.00 31.43 C ATOM 1853 O THR A1003 -7.652 11.188 -6.357 1.00 3.23 O ATOM 1854 CB THR A1003 -10.370 12.967 -7.327 1.00 13.52 C ATOM 1855 OG1 THR A1003 -10.756 13.926 -8.308 1.00 34.01 O ATOM 1856 CG2 THR A1003 -9.876 13.708 -6.066 1.00 1.31 C ATOM 0 H THR A1003 -10.817 11.516 -9.337 1.00 64.20 H new ATOM 0 HA THR A1003 -8.456 12.613 -8.298 1.00 12.51 H new ATOM 0 HB THR A1003 -11.212 12.346 -7.022 1.00 13.52 H new ATOM 0 HG1 THR A1003 -11.431 14.527 -7.930 1.00 34.01 H new ATOM 0 HG21 THR A1003 -10.670 14.352 -5.688 1.00 1.31 H new ATOM 0 HG22 THR A1003 -9.602 12.982 -5.301 1.00 1.31 H new ATOM 0 HG23 THR A1003 -9.006 14.315 -6.318 1.00 1.31 H new ATOM 1864 N ARG A1004 -9.610 10.018 -6.587 1.00 14.04 N ATOM 1865 CA ARG A1004 -9.307 8.958 -5.620 1.00 32.21 C ATOM 1866 C ARG A1004 -7.984 8.262 -5.966 1.00 74.01 C ATOM 1867 O ARG A1004 -7.020 8.375 -5.215 1.00 61.23 O ATOM 1868 CB ARG A1004 -10.450 7.913 -5.585 1.00 1.33 C ATOM 1869 CG ARG A1004 -11.734 8.354 -4.855 1.00 1.44 C ATOM 1870 CD ARG A1004 -12.801 7.246 -4.869 1.00 22.41 C ATOM 1871 NE ARG A1004 -13.903 7.499 -3.927 1.00 31.34 N ATOM 1872 CZ ARG A1004 -14.024 6.930 -2.715 1.00 41.32 C ATOM 1873 NH1 ARG A1004 -13.111 6.074 -2.259 1.00 12.01 N ATOM 1874 NH2 ARG A1004 -15.072 7.222 -1.965 1.00 2.44 N ATOM 0 H ARG A1004 -10.521 9.909 -7.033 1.00 14.04 H new ATOM 0 HA ARG A1004 -9.213 9.420 -4.637 1.00 32.21 H new ATOM 0 HB2 ARG A1004 -10.709 7.650 -6.611 1.00 1.33 H new ATOM 0 HB3 ARG A1004 -10.075 7.007 -5.108 1.00 1.33 H new ATOM 0 HG2 ARG A1004 -11.495 8.617 -3.825 1.00 1.44 H new ATOM 0 HG3 ARG A1004 -12.133 9.251 -5.329 1.00 1.44 H new ATOM 0 HD2 ARG A1004 -13.206 7.151 -5.877 1.00 22.41 H new ATOM 0 HD3 ARG A1004 -12.331 6.293 -4.623 1.00 22.41 H new ATOM 0 HE ARG A1004 -14.629 8.155 -4.215 1.00 31.34 H new ATOM 0 HH11 ARG A1004 -12.301 5.839 -2.832 1.00 12.01 H new ATOM 0 HH12 ARG A1004 -13.222 5.654 -1.336 1.00 12.01 H new ATOM 0 HH21 ARG A1004 -15.779 7.873 -2.307 1.00 2.44 H new ATOM 0 HH22 ARG A1004 -15.174 6.796 -1.044 1.00 2.44 H new ATOM 1888 N LEU A1005 -7.950 7.601 -7.147 1.00 0.11 N ATOM 1889 CA LEU A1005 -6.807 6.776 -7.578 1.00 62.12 C ATOM 1890 C LEU A1005 -5.517 7.605 -7.723 1.00 24.24 C ATOM 1891 O LEU A1005 -4.468 7.151 -7.293 1.00 62.30 O ATOM 1892 CB LEU A1005 -7.127 6.007 -8.897 1.00 75.43 C ATOM 1893 CG LEU A1005 -8.032 4.741 -8.765 1.00 13.31 C ATOM 1894 CD1 LEU A1005 -8.342 4.123 -10.150 1.00 61.32 C ATOM 1895 CD2 LEU A1005 -7.394 3.696 -7.815 1.00 60.10 C ATOM 0 H LEU A1005 -8.714 7.627 -7.823 1.00 0.11 H new ATOM 0 HA LEU A1005 -6.633 6.041 -6.792 1.00 62.12 H new ATOM 0 HB2 LEU A1005 -7.608 6.700 -9.587 1.00 75.43 H new ATOM 0 HB3 LEU A1005 -6.184 5.706 -9.353 1.00 75.43 H new ATOM 0 HG LEU A1005 -8.979 5.056 -8.327 1.00 13.31 H new ATOM 0 HD11 LEU A1005 -8.974 3.244 -10.023 1.00 61.32 H new ATOM 0 HD12 LEU A1005 -8.861 4.856 -10.768 1.00 61.32 H new ATOM 0 HD13 LEU A1005 -7.410 3.833 -10.636 1.00 61.32 H new ATOM 0 HD21 LEU A1005 -8.046 2.825 -7.742 1.00 60.10 H new ATOM 0 HD22 LEU A1005 -6.424 3.391 -8.208 1.00 60.10 H new ATOM 0 HD23 LEU A1005 -7.263 4.135 -6.826 1.00 60.10 H new ATOM 1907 N THR A1006 -5.609 8.822 -8.295 1.00 31.34 N ATOM 1908 CA THR A1006 -4.431 9.706 -8.476 1.00 62.13 C ATOM 1909 C THR A1006 -3.800 10.073 -7.114 1.00 62.15 C ATOM 1910 O THR A1006 -2.597 9.855 -6.892 1.00 25.00 O ATOM 1911 CB THR A1006 -4.783 11.013 -9.273 1.00 51.04 C ATOM 1912 OG1 THR A1006 -5.867 11.709 -8.645 1.00 62.13 O ATOM 1913 CG2 THR A1006 -5.137 10.719 -10.741 1.00 3.34 C ATOM 0 H THR A1006 -6.483 9.218 -8.640 1.00 31.34 H new ATOM 0 HA THR A1006 -3.707 9.143 -9.065 1.00 62.13 H new ATOM 0 HB THR A1006 -3.892 11.641 -9.263 1.00 51.04 H new ATOM 0 HG1 THR A1006 -6.712 11.262 -8.861 1.00 62.13 H new ATOM 0 HG21 THR A1006 -5.373 11.652 -11.252 1.00 3.34 H new ATOM 0 HG22 THR A1006 -4.289 10.241 -11.231 1.00 3.34 H new ATOM 0 HG23 THR A1006 -6.000 10.055 -10.781 1.00 3.34 H new ATOM 1921 N ARG A1007 -4.633 10.584 -6.187 1.00 10.01 N ATOM 1922 CA ARG A1007 -4.188 10.956 -4.828 1.00 65.24 C ATOM 1923 C ARG A1007 -3.761 9.704 -4.022 1.00 23.43 C ATOM 1924 O ARG A1007 -2.928 9.786 -3.114 1.00 4.42 O ATOM 1925 CB ARG A1007 -5.316 11.725 -4.106 1.00 51.01 C ATOM 1926 CG ARG A1007 -4.966 12.205 -2.683 1.00 73.12 C ATOM 1927 CD ARG A1007 -6.138 12.916 -1.997 1.00 40.35 C ATOM 1928 NE ARG A1007 -5.797 13.343 -0.629 1.00 1.40 N ATOM 1929 CZ ARG A1007 -6.122 14.523 -0.080 1.00 35.44 C ATOM 1930 NH1 ARG A1007 -6.807 15.434 -0.772 1.00 2.43 N ATOM 1931 NH2 ARG A1007 -5.769 14.782 1.169 1.00 53.35 N ATOM 0 H ARG A1007 -5.625 10.750 -6.356 1.00 10.01 H new ATOM 0 HA ARG A1007 -3.316 11.605 -4.907 1.00 65.24 H new ATOM 0 HB2 ARG A1007 -5.589 12.591 -4.709 1.00 51.01 H new ATOM 0 HB3 ARG A1007 -6.196 11.084 -4.051 1.00 51.01 H new ATOM 0 HG2 ARG A1007 -4.661 11.350 -2.080 1.00 73.12 H new ATOM 0 HG3 ARG A1007 -4.113 12.882 -2.731 1.00 73.12 H new ATOM 0 HD2 ARG A1007 -6.430 13.785 -2.586 1.00 40.35 H new ATOM 0 HD3 ARG A1007 -6.999 12.248 -1.965 1.00 40.35 H new ATOM 0 HE ARG A1007 -5.270 12.687 -0.052 1.00 1.40 H new ATOM 0 HH11 ARG A1007 -7.091 15.238 -1.732 1.00 2.43 H new ATOM 0 HH12 ARG A1007 -7.047 16.327 -0.341 1.00 2.43 H new ATOM 0 HH21 ARG A1007 -5.253 14.086 1.708 1.00 53.35 H new ATOM 0 HH22 ARG A1007 -6.013 15.677 1.593 1.00 53.35 H new ATOM 1945 N TRP A1008 -4.334 8.548 -4.391 1.00 50.31 N ATOM 1946 CA TRP A1008 -3.994 7.239 -3.806 1.00 34.30 C ATOM 1947 C TRP A1008 -2.596 6.809 -4.284 1.00 12.13 C ATOM 1948 O TRP A1008 -1.840 6.274 -3.495 1.00 64.15 O ATOM 1949 CB TRP A1008 -5.139 6.204 -4.130 1.00 54.35 C ATOM 1950 CG TRP A1008 -4.742 4.775 -4.471 1.00 70.41 C ATOM 1951 CD1 TRP A1008 -4.269 4.327 -5.672 1.00 43.43 C ATOM 1952 CD2 TRP A1008 -4.862 3.602 -3.643 1.00 2.44 C ATOM 1953 NE1 TRP A1008 -4.043 2.986 -5.625 1.00 42.25 N ATOM 1954 CE2 TRP A1008 -4.414 2.510 -4.405 1.00 12.04 C ATOM 1955 CE3 TRP A1008 -5.296 3.368 -2.339 1.00 21.32 C ATOM 1956 CZ2 TRP A1008 -4.379 1.210 -3.913 1.00 55.41 C ATOM 1957 CZ3 TRP A1008 -5.269 2.074 -1.849 1.00 60.21 C ATOM 1958 CH2 TRP A1008 -4.817 1.011 -2.639 1.00 51.22 C ATOM 0 H TRP A1008 -5.054 8.494 -5.111 1.00 50.31 H new ATOM 0 HA TRP A1008 -3.937 7.295 -2.719 1.00 34.30 H new ATOM 0 HB2 TRP A1008 -5.808 6.167 -3.270 1.00 54.35 H new ATOM 0 HB3 TRP A1008 -5.717 6.598 -4.966 1.00 54.35 H new ATOM 0 HD1 TRP A1008 -4.098 4.950 -6.538 1.00 43.43 H new ATOM 0 HE1 TRP A1008 -3.656 2.426 -6.385 1.00 42.25 H new ATOM 0 HE3 TRP A1008 -5.647 4.182 -1.722 1.00 21.32 H new ATOM 0 HZ2 TRP A1008 -4.019 0.391 -4.517 1.00 55.41 H new ATOM 0 HZ3 TRP A1008 -5.602 1.881 -0.840 1.00 60.21 H new ATOM 0 HH2 TRP A1008 -4.815 0.012 -2.230 1.00 51.22 H new ATOM 1969 N LEU A1009 -2.236 7.126 -5.556 1.00 70.15 N ATOM 1970 CA LEU A1009 -0.911 6.774 -6.139 1.00 24.45 C ATOM 1971 C LEU A1009 0.161 7.682 -5.532 1.00 11.44 C ATOM 1972 O LEU A1009 1.321 7.291 -5.394 1.00 54.12 O ATOM 1973 CB LEU A1009 -0.891 6.927 -7.692 1.00 11.10 C ATOM 1974 CG LEU A1009 -1.883 6.043 -8.512 1.00 14.12 C ATOM 1975 CD1 LEU A1009 -1.729 6.284 -10.026 1.00 61.22 C ATOM 1976 CD2 LEU A1009 -1.747 4.551 -8.164 1.00 3.34 C ATOM 0 H LEU A1009 -2.847 7.627 -6.201 1.00 70.15 H new ATOM 0 HA LEU A1009 -0.712 5.728 -5.905 1.00 24.45 H new ATOM 0 HB2 LEU A1009 -1.093 7.971 -7.931 1.00 11.10 H new ATOM 0 HB3 LEU A1009 0.119 6.711 -8.039 1.00 11.10 H new ATOM 0 HG LEU A1009 -2.891 6.346 -8.229 1.00 14.12 H new ATOM 0 HD11 LEU A1009 -2.434 5.654 -10.568 1.00 61.22 H new ATOM 0 HD12 LEU A1009 -1.932 7.331 -10.250 1.00 61.22 H new ATOM 0 HD13 LEU A1009 -0.712 6.038 -10.332 1.00 61.22 H new ATOM 0 HD21 LEU A1009 -2.455 3.973 -8.757 1.00 3.34 H new ATOM 0 HD22 LEU A1009 -0.733 4.217 -8.383 1.00 3.34 H new ATOM 0 HD23 LEU A1009 -1.956 4.404 -7.104 1.00 3.34 H new ATOM 1988 N THR A1010 -0.267 8.908 -5.204 1.00 1.32 N ATOM 1989 CA THR A1010 0.537 9.887 -4.476 1.00 32.22 C ATOM 1990 C THR A1010 0.821 9.389 -3.043 1.00 54.43 C ATOM 1991 O THR A1010 1.956 9.459 -2.577 1.00 30.10 O ATOM 1992 CB THR A1010 -0.216 11.255 -4.446 1.00 24.11 C ATOM 1993 OG1 THR A1010 -0.391 11.728 -5.787 1.00 12.55 O ATOM 1994 CG2 THR A1010 0.507 12.319 -3.615 1.00 52.32 C ATOM 0 H THR A1010 -1.198 9.249 -5.443 1.00 1.32 H new ATOM 0 HA THR A1010 1.493 10.019 -4.983 1.00 32.22 H new ATOM 0 HB THR A1010 -1.180 11.082 -3.968 1.00 24.11 H new ATOM 0 HG1 THR A1010 -1.090 11.203 -6.230 1.00 12.55 H new ATOM 0 HG21 THR A1010 -0.066 13.246 -3.633 1.00 52.32 H new ATOM 0 HG22 THR A1010 0.604 11.973 -2.586 1.00 52.32 H new ATOM 0 HG23 THR A1010 1.498 12.496 -4.033 1.00 52.32 H new ATOM 2002 N ALA A1011 -0.225 8.860 -2.374 1.00 31.10 N ATOM 2003 CA ALA A1011 -0.130 8.318 -1.000 1.00 73.20 C ATOM 2004 C ALA A1011 0.655 6.989 -0.980 1.00 44.15 C ATOM 2005 O ALA A1011 1.318 6.659 0.017 1.00 24.12 O ATOM 2006 CB ALA A1011 -1.537 8.142 -0.403 1.00 31.32 C ATOM 0 H ALA A1011 -1.162 8.796 -2.772 1.00 31.10 H new ATOM 0 HA ALA A1011 0.419 9.030 -0.384 1.00 73.20 H new ATOM 0 HB1 ALA A1011 -1.456 7.743 0.608 1.00 31.32 H new ATOM 0 HB2 ALA A1011 -2.043 9.107 -0.373 1.00 31.32 H new ATOM 0 HB3 ALA A1011 -2.111 7.451 -1.021 1.00 31.32 H new ATOM 2012 N LEU A1012 0.588 6.251 -2.110 1.00 10.53 N ATOM 2013 CA LEU A1012 1.343 4.999 -2.300 1.00 31.21 C ATOM 2014 C LEU A1012 2.830 5.322 -2.443 1.00 30.35 C ATOM 2015 O LEU A1012 3.671 4.732 -1.784 1.00 10.53 O ATOM 2016 CB LEU A1012 0.863 4.196 -3.556 1.00 41.01 C ATOM 2017 CG LEU A1012 -0.543 3.511 -3.492 1.00 2.03 C ATOM 2018 CD1 LEU A1012 -0.739 2.529 -4.672 1.00 73.23 C ATOM 2019 CD2 LEU A1012 -0.784 2.831 -2.132 1.00 43.14 C ATOM 0 H LEU A1012 0.011 6.507 -2.911 1.00 10.53 H new ATOM 0 HA LEU A1012 1.167 4.374 -1.425 1.00 31.21 H new ATOM 0 HB2 LEU A1012 0.866 4.875 -4.409 1.00 41.01 H new ATOM 0 HB3 LEU A1012 1.603 3.423 -3.762 1.00 41.01 H new ATOM 0 HG LEU A1012 -1.296 4.293 -3.590 1.00 2.03 H new ATOM 0 HD11 LEU A1012 -1.724 2.068 -4.602 1.00 73.23 H new ATOM 0 HD12 LEU A1012 -0.659 3.071 -5.614 1.00 73.23 H new ATOM 0 HD13 LEU A1012 0.027 1.755 -4.632 1.00 73.23 H new ATOM 0 HD21 LEU A1012 -1.770 2.367 -2.127 1.00 43.14 H new ATOM 0 HD22 LEU A1012 -0.023 2.068 -1.967 1.00 43.14 H new ATOM 0 HD23 LEU A1012 -0.729 3.576 -1.338 1.00 43.14 H new ATOM 2031 N ASP A1013 3.136 6.292 -3.308 1.00 32.02 N ATOM 2032 CA ASP A1013 4.523 6.682 -3.593 1.00 43.21 C ATOM 2033 C ASP A1013 5.124 7.476 -2.418 1.00 41.25 C ATOM 2034 O ASP A1013 6.345 7.528 -2.254 1.00 71.11 O ATOM 2035 CB ASP A1013 4.593 7.473 -4.917 1.00 75.24 C ATOM 2036 CG ASP A1013 6.029 7.624 -5.435 1.00 21.23 C ATOM 2037 OD1 ASP A1013 6.620 6.598 -5.847 1.00 0.01 O ATOM 2038 OD2 ASP A1013 6.562 8.757 -5.450 1.00 70.05 O ATOM 0 H ASP A1013 2.439 6.826 -3.827 1.00 32.02 H new ATOM 0 HA ASP A1013 5.125 5.781 -3.710 1.00 43.21 H new ATOM 0 HB2 ASP A1013 3.989 6.968 -5.671 1.00 75.24 H new ATOM 0 HB3 ASP A1013 4.157 8.461 -4.770 1.00 75.24 H new ATOM 2043 N ASN A1014 4.238 8.076 -1.595 1.00 74.14 N ATOM 2044 CA ASN A1014 4.622 8.707 -0.322 1.00 32.01 C ATOM 2045 C ASN A1014 5.053 7.623 0.674 1.00 54.33 C ATOM 2046 O ASN A1014 6.056 7.793 1.370 1.00 55.03 O ATOM 2047 CB ASN A1014 3.458 9.534 0.281 1.00 72.32 C ATOM 2048 CG ASN A1014 3.803 10.181 1.634 1.00 41.44 C ATOM 2049 OD1 ASN A1014 3.002 10.160 2.566 1.00 64.02 O ATOM 2050 ND2 ASN A1014 4.975 10.800 1.737 1.00 32.42 N ATOM 0 H ASN A1014 3.240 8.135 -1.797 1.00 74.14 H new ATOM 0 HA ASN A1014 5.450 9.389 -0.518 1.00 32.01 H new ATOM 0 HB2 ASN A1014 3.174 10.315 -0.424 1.00 72.32 H new ATOM 0 HB3 ASN A1014 2.590 8.887 0.407 1.00 72.32 H new ATOM 0 HD21 ASN A1014 5.228 11.273 2.605 1.00 32.42 H new ATOM 0 HD22 ASN A1014 5.622 10.802 0.948 1.00 32.42 H new ATOM 2057 N PHE A1015 4.269 6.516 0.734 1.00 33.23 N ATOM 2058 CA PHE A1015 4.621 5.327 1.527 1.00 74.01 C ATOM 2059 C PHE A1015 5.996 4.811 1.093 1.00 12.43 C ATOM 2060 O PHE A1015 6.892 4.756 1.906 1.00 3.11 O ATOM 2061 CB PHE A1015 3.533 4.227 1.376 1.00 3.54 C ATOM 2062 CG PHE A1015 3.941 2.839 1.896 1.00 63.43 C ATOM 2063 CD1 PHE A1015 4.247 1.812 1.007 1.00 22.43 C ATOM 2064 CD2 PHE A1015 4.008 2.562 3.259 1.00 52.00 C ATOM 2065 CE1 PHE A1015 4.622 0.564 1.453 1.00 51.30 C ATOM 2066 CE2 PHE A1015 4.383 1.310 3.712 1.00 4.14 C ATOM 2067 CZ PHE A1015 4.680 0.310 2.805 1.00 21.01 C ATOM 0 H PHE A1015 3.383 6.430 0.235 1.00 33.23 H new ATOM 0 HA PHE A1015 4.668 5.599 2.582 1.00 74.01 H new ATOM 0 HB2 PHE A1015 2.636 4.548 1.905 1.00 3.54 H new ATOM 0 HB3 PHE A1015 3.268 4.141 0.322 1.00 3.54 H new ATOM 0 HD1 PHE A1015 4.189 1.998 -0.055 1.00 22.43 H new ATOM 0 HD2 PHE A1015 3.764 3.335 3.972 1.00 52.00 H new ATOM 0 HE1 PHE A1015 4.870 -0.213 0.745 1.00 51.30 H new ATOM 0 HE2 PHE A1015 4.444 1.114 4.772 1.00 4.14 H new ATOM 0 HZ PHE A1015 4.958 -0.672 3.157 1.00 21.01 H new ATOM 2077 N GLU A1016 6.123 4.489 -0.208 1.00 61.04 N ATOM 2078 CA GLU A1016 7.374 4.045 -0.859 1.00 21.25 C ATOM 2079 C GLU A1016 8.596 4.896 -0.423 1.00 52.11 C ATOM 2080 O GLU A1016 9.600 4.352 0.060 1.00 24.51 O ATOM 2081 CB GLU A1016 7.156 4.100 -2.401 1.00 11.50 C ATOM 2082 CG GLU A1016 8.385 3.815 -3.296 1.00 45.33 C ATOM 2083 CD GLU A1016 9.057 2.449 -3.048 1.00 42.01 C ATOM 2084 OE1 GLU A1016 8.593 1.429 -3.609 1.00 33.51 O ATOM 2085 OE2 GLU A1016 10.075 2.396 -2.321 1.00 32.31 O ATOM 0 H GLU A1016 5.336 4.531 -0.856 1.00 61.04 H new ATOM 0 HA GLU A1016 7.603 3.025 -0.550 1.00 21.25 H new ATOM 0 HB2 GLU A1016 6.376 3.383 -2.658 1.00 11.50 H new ATOM 0 HB3 GLU A1016 6.775 5.090 -2.654 1.00 11.50 H new ATOM 0 HG2 GLU A1016 8.078 3.870 -4.340 1.00 45.33 H new ATOM 0 HG3 GLU A1016 9.123 4.602 -3.139 1.00 45.33 H new ATOM 2092 N ALA A1017 8.458 6.227 -0.542 1.00 45.34 N ATOM 2093 CA ALA A1017 9.522 7.191 -0.209 1.00 75.24 C ATOM 2094 C ALA A1017 9.904 7.120 1.287 1.00 64.42 C ATOM 2095 O ALA A1017 11.029 6.736 1.638 1.00 34.54 O ATOM 2096 CB ALA A1017 9.060 8.607 -0.586 1.00 52.24 C ATOM 0 H ALA A1017 7.600 6.668 -0.874 1.00 45.34 H new ATOM 0 HA ALA A1017 10.414 6.936 -0.780 1.00 75.24 H new ATOM 0 HB1 ALA A1017 9.845 9.323 -0.341 1.00 52.24 H new ATOM 0 HB2 ALA A1017 8.851 8.649 -1.655 1.00 52.24 H new ATOM 0 HB3 ALA A1017 8.156 8.855 -0.030 1.00 52.24 H new ATOM 2102 N LYS A1018 8.914 7.417 2.138 1.00 22.15 N ATOM 2103 CA LYS A1018 9.048 7.477 3.610 1.00 44.22 C ATOM 2104 C LYS A1018 9.549 6.146 4.213 1.00 53.34 C ATOM 2105 O LYS A1018 10.406 6.118 5.115 1.00 45.40 O ATOM 2106 CB LYS A1018 7.662 7.854 4.208 1.00 4.24 C ATOM 2107 CG LYS A1018 7.266 9.354 4.096 1.00 62.41 C ATOM 2108 CD LYS A1018 7.756 10.189 5.304 1.00 24.14 C ATOM 2109 CE LYS A1018 7.079 9.754 6.627 1.00 41.03 C ATOM 2110 NZ LYS A1018 7.661 10.435 7.810 1.00 34.33 N ATOM 0 H LYS A1018 7.969 7.629 1.819 1.00 22.15 H new ATOM 0 HA LYS A1018 9.796 8.229 3.861 1.00 44.22 H new ATOM 0 HB2 LYS A1018 6.898 7.257 3.711 1.00 4.24 H new ATOM 0 HB3 LYS A1018 7.652 7.572 5.261 1.00 4.24 H new ATOM 0 HG2 LYS A1018 7.683 9.769 3.179 1.00 62.41 H new ATOM 0 HG3 LYS A1018 6.182 9.435 4.018 1.00 62.41 H new ATOM 0 HD2 LYS A1018 8.837 10.087 5.400 1.00 24.14 H new ATOM 0 HD3 LYS A1018 7.550 11.244 5.122 1.00 24.14 H new ATOM 0 HE2 LYS A1018 6.012 9.971 6.575 1.00 41.03 H new ATOM 0 HE3 LYS A1018 7.180 8.675 6.746 1.00 41.03 H new ATOM 0 HZ1 LYS A1018 7.175 10.111 8.671 1.00 34.33 H new ATOM 0 HZ2 LYS A1018 8.674 10.208 7.878 1.00 34.33 H new ATOM 0 HZ3 LYS A1018 7.542 11.464 7.712 1.00 34.33 H new ATOM 2124 N MET A1019 9.030 5.040 3.688 1.00 70.33 N ATOM 2125 CA MET A1019 9.281 3.713 4.255 1.00 44.11 C ATOM 2126 C MET A1019 10.668 3.216 3.814 1.00 40.04 C ATOM 2127 O MET A1019 11.322 2.471 4.548 1.00 25.50 O ATOM 2128 CB MET A1019 8.130 2.732 3.891 1.00 2.12 C ATOM 2129 CG MET A1019 8.266 1.992 2.549 1.00 33.41 C ATOM 2130 SD MET A1019 9.480 0.664 2.599 1.00 32.13 S ATOM 2131 CE MET A1019 8.953 -0.183 4.075 1.00 13.12 C ATOM 0 H MET A1019 8.428 5.034 2.864 1.00 70.33 H new ATOM 0 HA MET A1019 9.292 3.770 5.343 1.00 44.11 H new ATOM 0 HB2 MET A1019 8.049 1.989 4.685 1.00 2.12 H new ATOM 0 HB3 MET A1019 7.194 3.291 3.881 1.00 2.12 H new ATOM 0 HG2 MET A1019 7.297 1.581 2.267 1.00 33.41 H new ATOM 0 HG3 MET A1019 8.547 2.705 1.774 1.00 33.41 H new ATOM 0 HE1 MET A1019 9.558 -1.079 4.216 1.00 13.12 H new ATOM 0 HE2 MET A1019 9.074 0.475 4.935 1.00 13.12 H new ATOM 0 HE3 MET A1019 7.904 -0.464 3.978 1.00 13.12 H new ATOM 2141 N ALA A1020 11.113 3.645 2.610 1.00 71.43 N ATOM 2142 CA ALA A1020 12.504 3.439 2.165 1.00 21.32 C ATOM 2143 C ALA A1020 13.476 4.263 3.034 1.00 43.05 C ATOM 2144 O ALA A1020 14.626 3.858 3.243 1.00 41.10 O ATOM 2145 CB ALA A1020 12.658 3.804 0.683 1.00 63.30 C ATOM 0 H ALA A1020 10.527 4.134 1.933 1.00 71.43 H new ATOM 0 HA ALA A1020 12.750 2.384 2.282 1.00 21.32 H new ATOM 0 HB1 ALA A1020 13.691 3.645 0.375 1.00 63.30 H new ATOM 0 HB2 ALA A1020 12.000 3.176 0.083 1.00 63.30 H new ATOM 0 HB3 ALA A1020 12.393 4.851 0.537 1.00 63.30 H new ATOM 2151 N LEU A1021 12.994 5.431 3.524 1.00 43.10 N ATOM 2152 CA LEU A1021 13.756 6.285 4.456 1.00 22.51 C ATOM 2153 C LEU A1021 13.874 5.641 5.859 1.00 22.13 C ATOM 2154 O LEU A1021 14.858 5.917 6.550 1.00 44.44 O ATOM 2155 CB LEU A1021 13.120 7.704 4.562 1.00 54.15 C ATOM 2156 CG LEU A1021 13.093 8.552 3.249 1.00 20.24 C ATOM 2157 CD1 LEU A1021 12.322 9.879 3.446 1.00 31.12 C ATOM 2158 CD2 LEU A1021 14.519 8.797 2.705 1.00 53.10 C ATOM 0 H LEU A1021 12.074 5.801 3.285 1.00 43.10 H new ATOM 0 HA LEU A1021 14.762 6.385 4.049 1.00 22.51 H new ATOM 0 HB2 LEU A1021 12.096 7.594 4.919 1.00 54.15 H new ATOM 0 HB3 LEU A1021 13.664 8.266 5.321 1.00 54.15 H new ATOM 0 HG LEU A1021 12.554 7.974 2.498 1.00 20.24 H new ATOM 0 HD11 LEU A1021 12.324 10.443 2.513 1.00 31.12 H new ATOM 0 HD12 LEU A1021 11.294 9.663 3.738 1.00 31.12 H new ATOM 0 HD13 LEU A1021 12.804 10.468 4.226 1.00 31.12 H new ATOM 0 HD21 LEU A1021 14.463 9.389 1.792 1.00 53.10 H new ATOM 0 HD22 LEU A1021 15.106 9.334 3.451 1.00 53.10 H new ATOM 0 HD23 LEU A1021 14.995 7.841 2.488 1.00 53.10 H new ATOM 2170 N LEU A1022 12.861 4.817 6.282 1.00 71.22 N ATOM 2171 CA LEU A1022 12.913 4.070 7.588 1.00 54.03 C ATOM 2172 C LEU A1022 14.257 3.288 7.740 1.00 34.14 C ATOM 2173 O LEU A1022 14.449 2.266 7.074 1.00 13.23 O ATOM 2174 CB LEU A1022 11.720 3.066 7.739 1.00 55.43 C ATOM 2175 CG LEU A1022 10.279 3.668 7.804 1.00 42.33 C ATOM 2176 CD1 LEU A1022 9.208 2.551 7.904 1.00 14.24 C ATOM 2177 CD2 LEU A1022 10.131 4.675 8.957 1.00 53.02 C ATOM 0 H LEU A1022 12.009 4.654 5.746 1.00 71.22 H new ATOM 0 HA LEU A1022 12.838 4.822 8.373 1.00 54.03 H new ATOM 0 HB2 LEU A1022 11.757 2.370 6.901 1.00 55.43 H new ATOM 0 HB3 LEU A1022 11.883 2.483 8.645 1.00 55.43 H new ATOM 0 HG LEU A1022 10.116 4.211 6.873 1.00 42.33 H new ATOM 0 HD11 LEU A1022 8.216 3.001 7.948 1.00 14.24 H new ATOM 0 HD12 LEU A1022 9.275 1.904 7.030 1.00 14.24 H new ATOM 0 HD13 LEU A1022 9.379 1.962 8.805 1.00 14.24 H new ATOM 0 HD21 LEU A1022 9.115 5.070 8.967 1.00 53.02 H new ATOM 0 HD22 LEU A1022 10.336 4.176 9.904 1.00 53.02 H new ATOM 0 HD23 LEU A1022 10.837 5.494 8.818 1.00 53.02 H new