USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=29 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 70 GLN : amide:sc= 0.427 K(o=0.74,f=-2.6) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.316 K(o=0.74,f=-2.6!) USER MOD Set 2.1: A 18 SER OG : rot 108:sc= -0.256 USER MOD Set 2.2: A 40 TYR OH : rot 166:sc= 1.05 USER MOD Set 2.3: A 71 THR OG1 : rot -128:sc= -1.3! USER MOD Set 3.1: A 3 SER OG : rot 180:sc= -0.0086 USER MOD Set 3.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -32:sc= 0.197 USER MOD Single : A 9 ASN : amide:sc= 0.656 K(o=0.66,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 20 SER OG : rot 76:sc= 1.02 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.209 F(o=-0.93,f=-0.21) USER MOD Single : A 35 GLN : amide:sc= 0.0452 X(o=0.045,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0287 F(o=-1.7,f=-0.029) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 43 SER OG : rot 69:sc= 0.89 USER MOD Single : A 46 THR OG1 : rot 26:sc= -0.0824 USER MOD Single : A 48 MET CE :methyl -160:sc= -0.325 (180deg=-0.847) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0748 X(o=-0.075,f=-0.28) USER MOD Single : A 63 MET CE :methyl -176:sc= -0.891 (180deg=-1.1) 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 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= -0.764 (180deg=-0.868) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.316 F(o=-0.85,f=-0.32) USER MOD Single : A 84 GLN : amide:sc= 0.445 X(o=0.45,f=-0.017) USER MOD Single : A 90 SER OG : rot 83:sc= 0.946 USER MOD Single : A1001 MET CE :methyl 158:sc= -0.384 (180deg=-0.975) 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 -76:sc= 0.82 USER MOD Single : A1010 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A1014 ASN :FLIP amide:sc= 1.25 F(o=-0.052,f=1.2) USER MOD Single : A1018 LYS NZ :NH3+ 177:sc= -0.398 (180deg=-0.412) USER MOD Single : A1019 MET CE :methyl -171:sc= -5.08! (180deg=-5.34!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 4.145 -3.894 23.128 1.00 1.12 N ATOM 21 CA THR A 2 2.993 -3.294 22.414 1.00 55.23 C ATOM 22 C THR A 2 3.432 -2.625 21.091 1.00 41.20 C ATOM 23 O THR A 2 2.825 -2.868 20.045 1.00 42.14 O ATOM 24 CB THR A 2 2.225 -2.276 23.322 1.00 12.30 C ATOM 25 OG1 THR A 2 3.165 -1.389 23.959 1.00 64.24 O ATOM 26 CG2 THR A 2 1.378 -2.980 24.393 1.00 4.44 C ATOM 0 HA THR A 2 2.310 -4.106 22.167 1.00 55.23 H new ATOM 0 HB THR A 2 1.547 -1.711 22.682 1.00 12.30 H new ATOM 0 HG1 THR A 2 4.006 -1.865 24.121 1.00 64.24 H new ATOM 0 HG21 THR A 2 0.864 -2.234 24.999 1.00 4.44 H new ATOM 0 HG22 THR A 2 0.643 -3.625 23.910 1.00 4.44 H new ATOM 0 HG23 THR A 2 2.025 -3.582 25.031 1.00 4.44 H new ATOM 34 N SER A 3 4.529 -1.846 21.153 1.00 12.31 N ATOM 35 CA SER A 3 5.162 -1.219 19.977 1.00 73.44 C ATOM 36 C SER A 3 5.483 -2.266 18.888 1.00 62.31 C ATOM 37 O SER A 3 5.130 -2.095 17.725 1.00 63.21 O ATOM 38 CB SER A 3 6.457 -0.502 20.420 1.00 61.43 C ATOM 39 OG SER A 3 7.332 -1.391 21.107 1.00 51.31 O ATOM 0 H SER A 3 5.005 -1.632 22.029 1.00 12.31 H new ATOM 0 HA SER A 3 4.465 -0.498 19.550 1.00 73.44 H new ATOM 0 HB2 SER A 3 6.964 -0.091 19.547 1.00 61.43 H new ATOM 0 HB3 SER A 3 6.207 0.338 21.068 1.00 61.43 H new ATOM 0 HG SER A 3 8.143 -0.910 21.374 1.00 51.31 H new ATOM 45 N THR A 4 6.112 -3.363 19.331 1.00 32.20 N ATOM 46 CA THR A 4 6.563 -4.468 18.482 1.00 24.15 C ATOM 47 C THR A 4 5.393 -5.206 17.796 1.00 51.11 C ATOM 48 O THR A 4 5.374 -5.323 16.575 1.00 5.52 O ATOM 49 CB THR A 4 7.405 -5.465 19.342 1.00 55.41 C ATOM 50 OG1 THR A 4 8.583 -4.802 19.834 1.00 64.05 O ATOM 51 CG2 THR A 4 7.796 -6.732 18.572 1.00 42.10 C ATOM 0 H THR A 4 6.326 -3.508 20.318 1.00 32.20 H new ATOM 0 HA THR A 4 7.176 -4.048 17.685 1.00 24.15 H new ATOM 0 HB THR A 4 6.778 -5.784 20.174 1.00 55.41 H new ATOM 0 HG1 THR A 4 9.109 -5.428 20.374 1.00 64.05 H new ATOM 0 HG21 THR A 4 8.379 -7.386 19.220 1.00 42.10 H new ATOM 0 HG22 THR A 4 6.895 -7.253 18.247 1.00 42.10 H new ATOM 0 HG23 THR A 4 8.392 -6.459 17.701 1.00 42.10 H new ATOM 59 N VAL A 5 4.414 -5.672 18.595 1.00 73.51 N ATOM 60 CA VAL A 5 3.298 -6.494 18.102 1.00 33.12 C ATOM 61 C VAL A 5 2.412 -5.675 17.144 1.00 14.43 C ATOM 62 O VAL A 5 2.012 -6.182 16.097 1.00 3.32 O ATOM 63 CB VAL A 5 2.461 -7.128 19.288 1.00 14.41 C ATOM 64 CG1 VAL A 5 1.816 -6.056 20.193 1.00 12.52 C ATOM 65 CG2 VAL A 5 1.410 -8.133 18.762 1.00 54.10 C ATOM 0 H VAL A 5 4.377 -5.488 19.598 1.00 73.51 H new ATOM 0 HA VAL A 5 3.716 -7.330 17.542 1.00 33.12 H new ATOM 0 HB VAL A 5 3.166 -7.679 19.911 1.00 14.41 H new ATOM 0 HG11 VAL A 5 1.254 -6.543 20.990 1.00 12.52 H new ATOM 0 HG12 VAL A 5 2.595 -5.431 20.629 1.00 12.52 H new ATOM 0 HG13 VAL A 5 1.143 -5.437 19.600 1.00 12.52 H new ATOM 0 HG21 VAL A 5 0.853 -8.550 19.601 1.00 54.10 H new ATOM 0 HG22 VAL A 5 0.722 -7.621 18.088 1.00 54.10 H new ATOM 0 HG23 VAL A 5 1.913 -8.937 18.225 1.00 54.10 H new ATOM 75 N GLU A 6 2.176 -4.384 17.473 1.00 44.33 N ATOM 76 CA GLU A 6 1.427 -3.469 16.593 1.00 64.24 C ATOM 77 C GLU A 6 2.192 -3.253 15.281 1.00 64.42 C ATOM 78 O GLU A 6 1.594 -3.291 14.223 1.00 62.23 O ATOM 79 CB GLU A 6 1.154 -2.115 17.285 1.00 73.03 C ATOM 80 CG GLU A 6 0.199 -2.211 18.488 1.00 21.45 C ATOM 81 CD GLU A 6 0.016 -0.865 19.200 1.00 30.10 C ATOM 82 OE1 GLU A 6 -1.081 -0.268 19.113 1.00 44.23 O ATOM 83 OE2 GLU A 6 0.972 -0.398 19.852 1.00 34.52 O ATOM 0 H GLU A 6 2.495 -3.956 18.342 1.00 44.33 H new ATOM 0 HA GLU A 6 0.464 -3.929 16.373 1.00 64.24 H new ATOM 0 HB2 GLU A 6 2.101 -1.691 17.618 1.00 73.03 H new ATOM 0 HB3 GLU A 6 0.734 -1.423 16.555 1.00 73.03 H new ATOM 0 HG2 GLU A 6 -0.771 -2.575 18.150 1.00 21.45 H new ATOM 0 HG3 GLU A 6 0.585 -2.944 19.197 1.00 21.45 H new ATOM 90 N PHE A 7 3.527 -3.078 15.378 1.00 13.42 N ATOM 91 CA PHE A 7 4.417 -2.882 14.214 1.00 74.44 C ATOM 92 C PHE A 7 4.261 -4.053 13.201 1.00 43.54 C ATOM 93 O PHE A 7 3.950 -3.833 12.023 1.00 30.21 O ATOM 94 CB PHE A 7 5.874 -2.766 14.743 1.00 31.23 C ATOM 95 CG PHE A 7 6.911 -2.258 13.758 1.00 14.03 C ATOM 96 CD1 PHE A 7 8.054 -3.001 13.465 1.00 14.33 C ATOM 97 CD2 PHE A 7 6.754 -1.011 13.154 1.00 74.21 C ATOM 98 CE1 PHE A 7 8.999 -2.512 12.590 1.00 4.42 C ATOM 99 CE2 PHE A 7 7.697 -0.530 12.279 1.00 74.24 C ATOM 100 CZ PHE A 7 8.821 -1.279 12.000 1.00 30.24 C ATOM 0 H PHE A 7 4.020 -3.069 16.271 1.00 13.42 H new ATOM 0 HA PHE A 7 4.153 -1.971 13.678 1.00 74.44 H new ATOM 0 HB2 PHE A 7 5.871 -2.103 15.609 1.00 31.23 H new ATOM 0 HB3 PHE A 7 6.189 -3.748 15.095 1.00 31.23 H new ATOM 0 HD1 PHE A 7 8.199 -3.966 13.927 1.00 14.33 H new ATOM 0 HD2 PHE A 7 5.880 -0.416 13.377 1.00 74.21 H new ATOM 0 HE1 PHE A 7 9.880 -3.095 12.366 1.00 4.42 H new ATOM 0 HE2 PHE A 7 7.559 0.433 11.810 1.00 74.24 H new ATOM 0 HZ PHE A 7 9.565 -0.898 11.316 1.00 30.24 H new ATOM 110 N ILE A 8 4.387 -5.289 13.729 1.00 3.11 N ATOM 111 CA ILE A 8 4.297 -6.545 12.954 1.00 32.51 C ATOM 112 C ILE A 8 2.887 -6.726 12.334 1.00 41.52 C ATOM 113 O ILE A 8 2.770 -7.040 11.151 1.00 14.45 O ATOM 114 CB ILE A 8 4.638 -7.782 13.876 1.00 51.32 C ATOM 115 CG1 ILE A 8 6.065 -7.631 14.499 1.00 62.20 C ATOM 116 CG2 ILE A 8 4.513 -9.126 13.113 1.00 42.12 C ATOM 117 CD1 ILE A 8 6.373 -8.614 15.620 1.00 23.31 C ATOM 0 H ILE A 8 4.557 -5.445 14.723 1.00 3.11 H new ATOM 0 HA ILE A 8 5.022 -6.488 12.142 1.00 32.51 H new ATOM 0 HB ILE A 8 3.905 -7.797 14.682 1.00 51.32 H new ATOM 0 HG12 ILE A 8 6.807 -7.755 13.710 1.00 62.20 H new ATOM 0 HG13 ILE A 8 6.175 -6.617 14.882 1.00 62.20 H new ATOM 0 HG21 ILE A 8 4.756 -9.950 13.784 1.00 42.12 H new ATOM 0 HG22 ILE A 8 3.492 -9.244 12.749 1.00 42.12 H new ATOM 0 HG23 ILE A 8 5.202 -9.131 12.269 1.00 42.12 H new ATOM 0 HD11 ILE A 8 7.382 -8.437 15.992 1.00 23.31 H new ATOM 0 HD12 ILE A 8 5.658 -8.477 16.431 1.00 23.31 H new ATOM 0 HD13 ILE A 8 6.300 -9.633 15.240 1.00 23.31 H new ATOM 129 N ASN A 9 1.834 -6.496 13.152 1.00 45.42 N ATOM 130 CA ASN A 9 0.419 -6.714 12.746 1.00 14.34 C ATOM 131 C ASN A 9 -0.050 -5.679 11.710 1.00 63.02 C ATOM 132 O ASN A 9 -0.830 -6.022 10.813 1.00 51.20 O ATOM 133 CB ASN A 9 -0.545 -6.716 13.976 1.00 55.55 C ATOM 134 CG ASN A 9 -0.662 -8.079 14.666 1.00 33.54 C ATOM 135 OD1 ASN A 9 -1.474 -8.913 14.276 1.00 3.23 O ATOM 136 ND2 ASN A 9 0.129 -8.317 15.689 1.00 13.55 N ATOM 0 H ASN A 9 1.936 -6.156 14.108 1.00 45.42 H new ATOM 0 HA ASN A 9 0.384 -7.699 12.281 1.00 14.34 H new ATOM 0 HB2 ASN A 9 -0.196 -5.981 14.701 1.00 55.55 H new ATOM 0 HB3 ASN A 9 -1.535 -6.397 13.651 1.00 55.55 H new ATOM 0 HD21 ASN A 9 0.076 -9.211 16.177 1.00 13.55 H new ATOM 0 HD22 ASN A 9 0.796 -7.608 15.994 1.00 13.55 H new ATOM 143 N ARG A 10 0.415 -4.418 11.852 1.00 63.30 N ATOM 144 CA ARG A 10 0.067 -3.332 10.912 1.00 63.43 C ATOM 145 C ARG A 10 0.744 -3.600 9.565 1.00 0.30 C ATOM 146 O ARG A 10 0.082 -3.538 8.534 1.00 53.22 O ATOM 147 CB ARG A 10 0.445 -1.928 11.467 1.00 25.00 C ATOM 148 CG ARG A 10 -0.330 -1.512 12.737 1.00 2.22 C ATOM 149 CD ARG A 10 0.199 -0.206 13.384 1.00 12.04 C ATOM 150 NE ARG A 10 -0.305 -0.028 14.764 1.00 34.42 N ATOM 151 CZ ARG A 10 -0.457 1.145 15.414 1.00 32.32 C ATOM 152 NH1 ARG A 10 -0.161 2.297 14.838 1.00 63.45 N ATOM 153 NH2 ARG A 10 -0.907 1.145 16.650 1.00 40.11 N ATOM 0 H ARG A 10 1.033 -4.128 12.610 1.00 63.30 H new ATOM 0 HA ARG A 10 -1.015 -3.323 10.779 1.00 63.43 H new ATOM 0 HB2 ARG A 10 1.512 -1.913 11.687 1.00 25.00 H new ATOM 0 HB3 ARG A 10 0.269 -1.184 10.690 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -1.383 -1.383 12.485 1.00 2.22 H new ATOM 0 HG3 ARG A 10 -0.274 -2.319 13.468 1.00 2.22 H new ATOM 0 HD2 ARG A 10 1.289 -0.222 13.395 1.00 12.04 H new ATOM 0 HD3 ARG A 10 -0.101 0.647 12.776 1.00 12.04 H new ATOM 0 HE ARG A 10 -0.562 -0.874 15.273 1.00 34.42 H new ATOM 0 HH11 ARG A 10 0.191 2.313 13.881 1.00 63.45 H new ATOM 0 HH12 ARG A 10 -0.285 3.170 15.351 1.00 63.45 H new ATOM 0 HH21 ARG A 10 -1.138 0.264 17.109 1.00 40.11 H new ATOM 0 HH22 ARG A 10 -1.025 2.026 17.150 1.00 40.11 H new ATOM 167 N TRP A 11 2.058 -3.956 9.604 1.00 53.21 N ATOM 168 CA TRP A 11 2.814 -4.357 8.393 1.00 73.44 C ATOM 169 C TRP A 11 2.166 -5.564 7.695 1.00 71.53 C ATOM 170 O TRP A 11 2.094 -5.604 6.459 1.00 54.21 O ATOM 171 CB TRP A 11 4.311 -4.667 8.719 1.00 42.32 C ATOM 172 CG TRP A 11 5.196 -3.449 8.776 1.00 41.15 C ATOM 173 CD1 TRP A 11 5.934 -3.000 9.828 1.00 73.42 C ATOM 174 CD2 TRP A 11 5.409 -2.507 7.711 1.00 4.11 C ATOM 175 NE1 TRP A 11 6.597 -1.854 9.481 1.00 50.32 N ATOM 176 CE2 TRP A 11 6.290 -1.527 8.195 1.00 14.21 C ATOM 177 CE3 TRP A 11 4.938 -2.401 6.400 1.00 52.12 C ATOM 178 CZ2 TRP A 11 6.703 -0.451 7.424 1.00 73.21 C ATOM 179 CZ3 TRP A 11 5.351 -1.341 5.633 1.00 71.43 C ATOM 180 CH2 TRP A 11 6.225 -0.376 6.147 1.00 24.34 C ATOM 0 H TRP A 11 2.611 -3.972 10.461 1.00 53.21 H new ATOM 0 HA TRP A 11 2.783 -3.507 7.712 1.00 73.44 H new ATOM 0 HB2 TRP A 11 4.363 -5.185 9.677 1.00 42.32 H new ATOM 0 HB3 TRP A 11 4.701 -5.351 7.965 1.00 42.32 H new ATOM 0 HD1 TRP A 11 5.988 -3.478 10.795 1.00 73.42 H new ATOM 0 HE1 TRP A 11 7.223 -1.327 10.090 1.00 50.32 H new ATOM 0 HE3 TRP A 11 4.261 -3.140 5.998 1.00 52.12 H new ATOM 0 HZ2 TRP A 11 7.375 0.297 7.817 1.00 73.21 H new ATOM 0 HZ3 TRP A 11 4.996 -1.250 4.617 1.00 71.43 H new ATOM 0 HH2 TRP A 11 6.529 0.448 5.518 1.00 24.34 H new ATOM 191 N GLN A 12 1.698 -6.537 8.505 1.00 24.32 N ATOM 192 CA GLN A 12 1.044 -7.753 8.005 1.00 2.20 C ATOM 193 C GLN A 12 -0.266 -7.393 7.293 1.00 24.32 C ATOM 194 O GLN A 12 -0.546 -7.922 6.221 1.00 4.44 O ATOM 195 CB GLN A 12 0.766 -8.757 9.153 1.00 52.00 C ATOM 196 CG GLN A 12 0.250 -10.136 8.679 1.00 64.40 C ATOM 197 CD GLN A 12 -0.114 -11.082 9.818 1.00 51.51 C ATOM 198 OE1 GLN A 12 -0.559 -10.653 10.883 1.00 4.30 O ATOM 199 NE2 GLN A 12 0.065 -12.380 9.605 1.00 5.10 N ATOM 0 H GLN A 12 1.765 -6.497 9.522 1.00 24.32 H new ATOM 0 HA GLN A 12 1.720 -8.230 7.296 1.00 2.20 H new ATOM 0 HB2 GLN A 12 1.683 -8.902 9.724 1.00 52.00 H new ATOM 0 HB3 GLN A 12 0.033 -8.321 9.832 1.00 52.00 H new ATOM 0 HG2 GLN A 12 -0.626 -9.988 8.048 1.00 64.40 H new ATOM 0 HG3 GLN A 12 1.014 -10.606 8.059 1.00 64.40 H new ATOM 0 HE21 GLN A 12 0.436 -12.704 8.712 1.00 5.10 H new ATOM 0 HE22 GLN A 12 -0.168 -13.053 10.335 1.00 5.10 H new ATOM 208 N ARG A 13 -1.033 -6.455 7.900 1.00 4.14 N ATOM 209 CA ARG A 13 -2.312 -5.983 7.351 1.00 75.32 C ATOM 210 C ARG A 13 -2.091 -5.319 5.981 1.00 75.55 C ATOM 211 O ARG A 13 -2.835 -5.589 5.046 1.00 51.13 O ATOM 212 CB ARG A 13 -3.018 -5.000 8.330 1.00 72.42 C ATOM 213 CG ARG A 13 -4.407 -4.525 7.837 1.00 1.40 C ATOM 214 CD ARG A 13 -5.105 -3.543 8.791 1.00 65.22 C ATOM 215 NE ARG A 13 -5.343 -4.124 10.122 1.00 12.43 N ATOM 216 CZ ARG A 13 -6.457 -4.767 10.515 1.00 63.14 C ATOM 217 NH1 ARG A 13 -7.487 -4.940 9.688 1.00 64.23 N ATOM 218 NH2 ARG A 13 -6.536 -5.237 11.746 1.00 1.54 N ATOM 0 H ARG A 13 -0.777 -6.010 8.781 1.00 4.14 H new ATOM 0 HA ARG A 13 -2.964 -6.847 7.221 1.00 75.32 H new ATOM 0 HB2 ARG A 13 -3.132 -5.485 9.299 1.00 72.42 H new ATOM 0 HB3 ARG A 13 -2.379 -4.130 8.482 1.00 72.42 H new ATOM 0 HG2 ARG A 13 -4.293 -4.050 6.863 1.00 1.40 H new ATOM 0 HG3 ARG A 13 -5.048 -5.395 7.694 1.00 1.40 H new ATOM 0 HD2 ARG A 13 -4.495 -2.645 8.894 1.00 65.22 H new ATOM 0 HD3 ARG A 13 -6.056 -3.234 8.357 1.00 65.22 H new ATOM 0 HE ARG A 13 -4.595 -4.031 10.809 1.00 12.43 H new ATOM 0 HH11 ARG A 13 -7.441 -4.581 8.734 1.00 64.23 H new ATOM 0 HH12 ARG A 13 -8.322 -5.431 10.009 1.00 64.23 H new ATOM 0 HH21 ARG A 13 -5.756 -5.111 12.391 1.00 1.54 H new ATOM 0 HH22 ARG A 13 -7.377 -5.726 12.052 1.00 1.54 H new ATOM 232 N ILE A 14 -1.026 -4.492 5.879 1.00 21.41 N ATOM 233 CA ILE A 14 -0.667 -3.785 4.630 1.00 31.14 C ATOM 234 C ILE A 14 -0.257 -4.789 3.537 1.00 60.34 C ATOM 235 O ILE A 14 -0.632 -4.624 2.383 1.00 50.14 O ATOM 236 CB ILE A 14 0.503 -2.756 4.865 1.00 15.43 C ATOM 237 CG1 ILE A 14 0.141 -1.773 5.996 1.00 21.22 C ATOM 238 CG2 ILE A 14 0.854 -1.963 3.584 1.00 12.33 C ATOM 239 CD1 ILE A 14 1.251 -0.829 6.366 1.00 41.40 C ATOM 0 H ILE A 14 -0.395 -4.297 6.656 1.00 21.41 H new ATOM 0 HA ILE A 14 -1.550 -3.235 4.303 1.00 31.14 H new ATOM 0 HB ILE A 14 1.380 -3.337 5.150 1.00 15.43 H new ATOM 0 HG12 ILE A 14 -0.730 -1.192 5.693 1.00 21.22 H new ATOM 0 HG13 ILE A 14 -0.147 -2.342 6.880 1.00 21.22 H new ATOM 0 HG21 ILE A 14 1.666 -1.267 3.798 1.00 12.33 H new ATOM 0 HG22 ILE A 14 1.166 -2.655 2.802 1.00 12.33 H new ATOM 0 HG23 ILE A 14 -0.022 -1.407 3.249 1.00 12.33 H new ATOM 0 HD11 ILE A 14 0.917 -0.171 7.168 1.00 41.40 H new ATOM 0 HD12 ILE A 14 2.117 -1.399 6.702 1.00 41.40 H new ATOM 0 HD13 ILE A 14 1.525 -0.231 5.497 1.00 41.40 H new ATOM 251 N ALA A 15 0.492 -5.836 3.931 1.00 40.41 N ATOM 252 CA ALA A 15 0.969 -6.890 3.017 1.00 44.45 C ATOM 253 C ALA A 15 -0.216 -7.683 2.419 1.00 74.22 C ATOM 254 O ALA A 15 -0.291 -7.879 1.194 1.00 64.13 O ATOM 255 CB ALA A 15 1.937 -7.824 3.764 1.00 2.42 C ATOM 0 H ALA A 15 0.785 -5.975 4.898 1.00 40.41 H new ATOM 0 HA ALA A 15 1.501 -6.423 2.188 1.00 44.45 H new ATOM 0 HB1 ALA A 15 2.288 -8.602 3.086 1.00 2.42 H new ATOM 0 HB2 ALA A 15 2.788 -7.249 4.129 1.00 2.42 H new ATOM 0 HB3 ALA A 15 1.421 -8.283 4.607 1.00 2.42 H new ATOM 261 N LEU A 16 -1.151 -8.091 3.309 1.00 55.03 N ATOM 262 CA LEU A 16 -2.361 -8.852 2.941 1.00 25.42 C ATOM 263 C LEU A 16 -3.281 -8.007 2.042 1.00 71.03 C ATOM 264 O LEU A 16 -3.763 -8.497 1.022 1.00 32.42 O ATOM 265 CB LEU A 16 -3.131 -9.309 4.215 1.00 64.11 C ATOM 266 CG LEU A 16 -2.374 -10.284 5.173 1.00 75.14 C ATOM 267 CD1 LEU A 16 -3.191 -10.547 6.460 1.00 32.32 C ATOM 268 CD2 LEU A 16 -2.002 -11.604 4.461 1.00 71.53 C ATOM 0 H LEU A 16 -1.083 -7.898 4.308 1.00 55.03 H new ATOM 0 HA LEU A 16 -2.048 -9.737 2.386 1.00 25.42 H new ATOM 0 HB2 LEU A 16 -3.410 -8.421 4.782 1.00 64.11 H new ATOM 0 HB3 LEU A 16 -4.057 -9.790 3.900 1.00 64.11 H new ATOM 0 HG LEU A 16 -1.442 -9.801 5.465 1.00 75.14 H new ATOM 0 HD11 LEU A 16 -2.640 -11.229 7.108 1.00 32.32 H new ATOM 0 HD12 LEU A 16 -3.359 -9.606 6.983 1.00 32.32 H new ATOM 0 HD13 LEU A 16 -4.151 -10.992 6.197 1.00 32.32 H new ATOM 0 HD21 LEU A 16 -1.477 -12.258 5.157 1.00 71.53 H new ATOM 0 HD22 LEU A 16 -2.909 -12.098 4.113 1.00 71.53 H new ATOM 0 HD23 LEU A 16 -1.357 -11.389 3.609 1.00 71.53 H new ATOM 280 N LEU A 17 -3.484 -6.726 2.438 1.00 44.45 N ATOM 281 CA LEU A 17 -4.313 -5.764 1.686 1.00 62.11 C ATOM 282 C LEU A 17 -3.724 -5.519 0.297 1.00 60.34 C ATOM 283 O LEU A 17 -4.440 -5.612 -0.674 1.00 75.12 O ATOM 284 CB LEU A 17 -4.464 -4.411 2.448 1.00 32.43 C ATOM 285 CG LEU A 17 -5.454 -4.398 3.656 1.00 12.35 C ATOM 286 CD1 LEU A 17 -5.346 -3.076 4.445 1.00 70.10 C ATOM 287 CD2 LEU A 17 -6.908 -4.643 3.191 1.00 54.32 C ATOM 0 H LEU A 17 -3.076 -6.336 3.287 1.00 44.45 H new ATOM 0 HA LEU A 17 -5.305 -6.203 1.582 1.00 62.11 H new ATOM 0 HB2 LEU A 17 -3.480 -4.112 2.810 1.00 32.43 H new ATOM 0 HB3 LEU A 17 -4.786 -3.652 1.735 1.00 32.43 H new ATOM 0 HG LEU A 17 -5.174 -5.214 4.322 1.00 12.35 H new ATOM 0 HD11 LEU A 17 -6.046 -3.093 5.281 1.00 70.10 H new ATOM 0 HD12 LEU A 17 -4.331 -2.960 4.824 1.00 70.10 H new ATOM 0 HD13 LEU A 17 -5.585 -2.240 3.788 1.00 70.10 H new ATOM 0 HD21 LEU A 17 -7.573 -4.628 4.054 1.00 54.32 H new ATOM 0 HD22 LEU A 17 -7.203 -3.861 2.492 1.00 54.32 H new ATOM 0 HD23 LEU A 17 -6.974 -5.613 2.699 1.00 54.32 H new ATOM 299 N SER A 18 -2.404 -5.262 0.233 1.00 62.21 N ATOM 300 CA SER A 18 -1.701 -4.918 -1.020 1.00 51.34 C ATOM 301 C SER A 18 -1.778 -6.079 -2.021 1.00 74.40 C ATOM 302 O SER A 18 -1.977 -5.858 -3.217 1.00 21.34 O ATOM 303 CB SER A 18 -0.223 -4.569 -0.728 1.00 74.54 C ATOM 304 OG SER A 18 0.404 -3.941 -1.837 1.00 22.11 O ATOM 0 H SER A 18 -1.793 -5.287 1.049 1.00 62.21 H new ATOM 0 HA SER A 18 -2.190 -4.048 -1.458 1.00 51.34 H new ATOM 0 HB2 SER A 18 -0.170 -3.911 0.139 1.00 74.54 H new ATOM 0 HB3 SER A 18 0.320 -5.478 -0.471 1.00 74.54 H new ATOM 0 HG SER A 18 0.541 -2.991 -1.640 1.00 22.11 H new ATOM 310 N GLN A 19 -1.619 -7.312 -1.497 1.00 62.24 N ATOM 311 CA GLN A 19 -1.689 -8.551 -2.292 1.00 62.01 C ATOM 312 C GLN A 19 -3.103 -8.748 -2.869 1.00 54.21 C ATOM 313 O GLN A 19 -3.259 -8.956 -4.082 1.00 43.20 O ATOM 314 CB GLN A 19 -1.266 -9.744 -1.407 1.00 33.40 C ATOM 315 CG GLN A 19 -1.163 -11.098 -2.140 1.00 20.13 C ATOM 316 CD GLN A 19 -0.714 -12.249 -1.234 1.00 2.42 C ATOM 317 OE1 GLN A 19 0.172 -11.980 -0.278 1.00 33.32 O flip ATOM 318 NE2 GLN A 19 -1.142 -13.392 -1.416 1.00 62.12 N flip ATOM 0 H GLN A 19 -1.438 -7.474 -0.506 1.00 62.24 H new ATOM 0 HA GLN A 19 -1.005 -8.483 -3.138 1.00 62.01 H new ATOM 0 HB2 GLN A 19 -0.300 -9.518 -0.957 1.00 33.40 H new ATOM 0 HB3 GLN A 19 -1.982 -9.843 -0.591 1.00 33.40 H new ATOM 0 HG2 GLN A 19 -2.133 -11.343 -2.572 1.00 20.13 H new ATOM 0 HG3 GLN A 19 -0.460 -11.002 -2.968 1.00 20.13 H new ATOM 0 HE21 GLN A 19 -1.821 -13.571 -2.156 1.00 62.12 H new ATOM 0 HE22 GLN A 19 -0.817 -14.158 -0.826 1.00 62.12 H new ATOM 327 N SER A 20 -4.113 -8.631 -1.978 1.00 2.42 N ATOM 328 CA SER A 20 -5.537 -8.702 -2.345 1.00 3.10 C ATOM 329 C SER A 20 -5.864 -7.679 -3.446 1.00 70.22 C ATOM 330 O SER A 20 -6.391 -8.040 -4.488 1.00 41.30 O ATOM 331 CB SER A 20 -6.418 -8.436 -1.102 1.00 55.41 C ATOM 332 OG SER A 20 -6.185 -9.394 -0.081 1.00 20.11 O ATOM 0 H SER A 20 -3.958 -8.484 -0.981 1.00 2.42 H new ATOM 0 HA SER A 20 -5.746 -9.702 -2.726 1.00 3.10 H new ATOM 0 HB2 SER A 20 -6.213 -7.437 -0.718 1.00 55.41 H new ATOM 0 HB3 SER A 20 -7.469 -8.458 -1.389 1.00 55.41 H new ATOM 0 HG SER A 20 -5.340 -9.190 0.372 1.00 20.11 H new ATOM 338 N LEU A 21 -5.454 -6.417 -3.205 1.00 30.35 N ATOM 339 CA LEU A 21 -5.731 -5.272 -4.083 1.00 42.23 C ATOM 340 C LEU A 21 -5.009 -5.420 -5.427 1.00 40.23 C ATOM 341 O LEU A 21 -5.526 -4.970 -6.450 1.00 31.41 O ATOM 342 CB LEU A 21 -5.326 -3.937 -3.384 1.00 52.21 C ATOM 343 CG LEU A 21 -6.171 -3.542 -2.129 1.00 35.41 C ATOM 344 CD1 LEU A 21 -5.569 -2.334 -1.390 1.00 65.23 C ATOM 345 CD2 LEU A 21 -7.639 -3.277 -2.502 1.00 51.14 C ATOM 0 H LEU A 21 -4.912 -6.165 -2.379 1.00 30.35 H new ATOM 0 HA LEU A 21 -6.803 -5.248 -4.280 1.00 42.23 H new ATOM 0 HB2 LEU A 21 -4.280 -4.008 -3.087 1.00 52.21 H new ATOM 0 HB3 LEU A 21 -5.396 -3.131 -4.114 1.00 52.21 H new ATOM 0 HG LEU A 21 -6.143 -4.392 -1.447 1.00 35.41 H new ATOM 0 HD11 LEU A 21 -6.186 -2.092 -0.525 1.00 65.23 H new ATOM 0 HD12 LEU A 21 -4.559 -2.576 -1.059 1.00 65.23 H new ATOM 0 HD13 LEU A 21 -5.535 -1.477 -2.062 1.00 65.23 H new ATOM 0 HD21 LEU A 21 -8.198 -3.005 -1.607 1.00 51.14 H new ATOM 0 HD22 LEU A 21 -7.690 -2.461 -3.223 1.00 51.14 H new ATOM 0 HD23 LEU A 21 -8.071 -4.177 -2.940 1.00 51.14 H new ATOM 357 N LEU A 22 -3.817 -6.059 -5.418 1.00 51.24 N ATOM 358 CA LEU A 22 -3.071 -6.320 -6.654 1.00 13.11 C ATOM 359 C LEU A 22 -3.859 -7.278 -7.537 1.00 53.23 C ATOM 360 O LEU A 22 -4.039 -7.013 -8.730 1.00 31.33 O ATOM 361 CB LEU A 22 -1.658 -6.905 -6.400 1.00 4.33 C ATOM 362 CG LEU A 22 -0.865 -7.241 -7.709 1.00 55.33 C ATOM 363 CD1 LEU A 22 -0.701 -5.984 -8.585 1.00 71.34 C ATOM 364 CD2 LEU A 22 0.483 -7.914 -7.414 1.00 4.32 C ATOM 0 H LEU A 22 -3.360 -6.398 -4.572 1.00 51.24 H new ATOM 0 HA LEU A 22 -2.938 -5.358 -7.149 1.00 13.11 H new ATOM 0 HB2 LEU A 22 -1.081 -6.193 -5.810 1.00 4.33 H new ATOM 0 HB3 LEU A 22 -1.753 -7.811 -5.802 1.00 4.33 H new ATOM 0 HG LEU A 22 -1.452 -7.967 -8.272 1.00 55.33 H new ATOM 0 HD11 LEU A 22 -0.148 -6.240 -9.489 1.00 71.34 H new ATOM 0 HD12 LEU A 22 -1.684 -5.600 -8.858 1.00 71.34 H new ATOM 0 HD13 LEU A 22 -0.155 -5.222 -8.029 1.00 71.34 H new ATOM 0 HD21 LEU A 22 0.996 -8.128 -8.352 1.00 4.32 H new ATOM 0 HD22 LEU A 22 1.097 -7.248 -6.808 1.00 4.32 H new ATOM 0 HD23 LEU A 22 0.314 -8.845 -6.873 1.00 4.32 H new ATOM 376 N GLU A 23 -4.329 -8.387 -6.926 1.00 41.43 N ATOM 377 CA GLU A 23 -5.141 -9.401 -7.623 1.00 24.04 C ATOM 378 C GLU A 23 -6.387 -8.746 -8.224 1.00 51.02 C ATOM 379 O GLU A 23 -6.656 -8.902 -9.418 1.00 70.33 O ATOM 380 CB GLU A 23 -5.530 -10.549 -6.660 1.00 0.55 C ATOM 381 CG GLU A 23 -4.323 -11.311 -6.085 1.00 13.43 C ATOM 382 CD GLU A 23 -4.743 -12.395 -5.088 1.00 43.24 C ATOM 383 OE1 GLU A 23 -5.006 -13.539 -5.520 1.00 21.53 O ATOM 384 OE2 GLU A 23 -4.858 -12.094 -3.878 1.00 24.31 O ATOM 0 H GLU A 23 -4.157 -8.601 -5.944 1.00 41.43 H new ATOM 0 HA GLU A 23 -4.549 -9.831 -8.431 1.00 24.04 H new ATOM 0 HB2 GLU A 23 -6.115 -10.138 -5.837 1.00 0.55 H new ATOM 0 HB3 GLU A 23 -6.174 -11.252 -7.188 1.00 0.55 H new ATOM 0 HG2 GLU A 23 -3.762 -11.768 -6.900 1.00 13.43 H new ATOM 0 HG3 GLU A 23 -3.653 -10.607 -5.592 1.00 13.43 H new ATOM 391 N LEU A 24 -7.081 -7.944 -7.397 1.00 71.32 N ATOM 392 CA LEU A 24 -8.277 -7.187 -7.808 1.00 51.41 C ATOM 393 C LEU A 24 -7.988 -6.318 -9.043 1.00 0.51 C ATOM 394 O LEU A 24 -8.761 -6.327 -9.991 1.00 33.11 O ATOM 395 CB LEU A 24 -8.782 -6.296 -6.649 1.00 61.01 C ATOM 396 CG LEU A 24 -9.218 -7.033 -5.354 1.00 1.50 C ATOM 397 CD1 LEU A 24 -9.589 -6.027 -4.263 1.00 15.22 C ATOM 398 CD2 LEU A 24 -10.362 -8.038 -5.608 1.00 2.13 C ATOM 0 H LEU A 24 -6.827 -7.802 -6.420 1.00 71.32 H new ATOM 0 HA LEU A 24 -9.051 -7.909 -8.067 1.00 51.41 H new ATOM 0 HB2 LEU A 24 -7.993 -5.590 -6.391 1.00 61.01 H new ATOM 0 HB3 LEU A 24 -9.627 -5.711 -7.011 1.00 61.01 H new ATOM 0 HG LEU A 24 -8.365 -7.617 -5.008 1.00 1.50 H new ATOM 0 HD11 LEU A 24 -9.892 -6.562 -3.363 1.00 15.22 H new ATOM 0 HD12 LEU A 24 -8.727 -5.399 -4.039 1.00 15.22 H new ATOM 0 HD13 LEU A 24 -10.413 -5.403 -4.609 1.00 15.22 H new ATOM 0 HD21 LEU A 24 -10.631 -8.527 -4.672 1.00 2.13 H new ATOM 0 HD22 LEU A 24 -11.229 -7.510 -6.003 1.00 2.13 H new ATOM 0 HD23 LEU A 24 -10.035 -8.788 -6.328 1.00 2.13 H new ATOM 410 N ALA A 25 -6.834 -5.625 -9.028 1.00 1.51 N ATOM 411 CA ALA A 25 -6.392 -4.758 -10.135 1.00 61.03 C ATOM 412 C ALA A 25 -6.137 -5.566 -11.419 1.00 30.10 C ATOM 413 O ALA A 25 -6.412 -5.083 -12.522 1.00 61.13 O ATOM 414 CB ALA A 25 -5.133 -3.985 -9.717 1.00 10.30 C ATOM 0 H ALA A 25 -6.180 -5.651 -8.245 1.00 1.51 H new ATOM 0 HA ALA A 25 -7.190 -4.048 -10.354 1.00 61.03 H new ATOM 0 HB1 ALA A 25 -4.809 -3.345 -10.538 1.00 10.30 H new ATOM 0 HB2 ALA A 25 -5.356 -3.371 -8.845 1.00 10.30 H new ATOM 0 HB3 ALA A 25 -4.338 -4.689 -9.471 1.00 10.30 H new ATOM 420 N GLN A 26 -5.619 -6.804 -11.255 1.00 33.23 N ATOM 421 CA GLN A 26 -5.402 -7.745 -12.375 1.00 1.34 C ATOM 422 C GLN A 26 -6.748 -8.224 -12.988 1.00 74.42 C ATOM 423 O GLN A 26 -6.814 -8.505 -14.191 1.00 61.24 O ATOM 424 CB GLN A 26 -4.558 -8.973 -11.919 1.00 11.43 C ATOM 425 CG GLN A 26 -3.152 -8.652 -11.349 1.00 74.43 C ATOM 426 CD GLN A 26 -2.221 -7.917 -12.321 1.00 32.23 C ATOM 427 OE1 GLN A 26 -1.255 -7.173 -11.789 1.00 43.01 O flip ATOM 428 NE2 GLN A 26 -2.323 -8.053 -13.541 1.00 51.00 N flip ATOM 0 H GLN A 26 -5.341 -7.177 -10.347 1.00 33.23 H new ATOM 0 HA GLN A 26 -4.850 -7.205 -13.144 1.00 1.34 H new ATOM 0 HB2 GLN A 26 -5.122 -9.516 -11.160 1.00 11.43 H new ATOM 0 HB3 GLN A 26 -4.440 -9.645 -12.769 1.00 11.43 H new ATOM 0 HG2 GLN A 26 -3.268 -8.046 -10.450 1.00 74.43 H new ATOM 0 HG3 GLN A 26 -2.676 -9.584 -11.046 1.00 74.43 H new ATOM 0 HE21 GLN A 26 -3.071 -8.628 -13.929 1.00 51.00 H new ATOM 0 HE22 GLN A 26 -1.660 -7.591 -14.163 1.00 51.00 H new ATOM 437 N ARG A 27 -7.810 -8.336 -12.150 1.00 24.21 N ATOM 438 CA ARG A 27 -9.175 -8.733 -12.619 1.00 44.24 C ATOM 439 C ARG A 27 -9.989 -7.510 -13.105 1.00 63.13 C ATOM 440 O ARG A 27 -10.926 -7.663 -13.891 1.00 71.30 O ATOM 441 CB ARG A 27 -9.979 -9.500 -11.510 1.00 71.04 C ATOM 442 CG ARG A 27 -9.552 -10.981 -11.264 1.00 2.41 C ATOM 443 CD ARG A 27 -8.120 -11.102 -10.744 1.00 13.12 C ATOM 444 NE ARG A 27 -7.668 -12.468 -10.479 1.00 50.23 N ATOM 445 CZ ARG A 27 -6.405 -12.788 -10.145 1.00 54.33 C ATOM 446 NH1 ARG A 27 -5.465 -11.849 -10.040 1.00 23.25 N ATOM 447 NH2 ARG A 27 -6.092 -14.033 -9.888 1.00 44.44 N ATOM 0 H ARG A 27 -7.754 -8.159 -11.147 1.00 24.21 H new ATOM 0 HA ARG A 27 -9.024 -9.409 -13.461 1.00 44.24 H new ATOM 0 HB2 ARG A 27 -9.881 -8.953 -10.572 1.00 71.04 H new ATOM 0 HB3 ARG A 27 -11.035 -9.486 -11.778 1.00 71.04 H new ATOM 0 HG2 ARG A 27 -10.235 -11.438 -10.547 1.00 2.41 H new ATOM 0 HG3 ARG A 27 -9.645 -11.541 -12.194 1.00 2.41 H new ATOM 0 HD2 ARG A 27 -7.447 -10.648 -11.471 1.00 13.12 H new ATOM 0 HD3 ARG A 27 -8.034 -10.523 -9.825 1.00 13.12 H new ATOM 0 HE ARG A 27 -8.351 -13.222 -10.552 1.00 50.23 H new ATOM 0 HH11 ARG A 27 -5.699 -10.872 -10.214 1.00 23.25 H new ATOM 0 HH12 ARG A 27 -4.512 -12.108 -9.786 1.00 23.25 H new ATOM 0 HH21 ARG A 27 -6.806 -14.760 -9.941 1.00 44.44 H new ATOM 0 HH22 ARG A 27 -5.134 -14.276 -9.635 1.00 44.44 H new ATOM 461 N GLY A 28 -9.617 -6.310 -12.644 1.00 61.43 N ATOM 462 CA GLY A 28 -10.350 -5.083 -12.974 1.00 52.04 C ATOM 463 C GLY A 28 -11.466 -4.763 -11.987 1.00 71.30 C ATOM 464 O GLY A 28 -12.497 -4.200 -12.364 1.00 25.11 O ATOM 0 H GLY A 28 -8.809 -6.163 -12.039 1.00 61.43 H new ATOM 0 HA2 GLY A 28 -9.651 -4.247 -13.004 1.00 52.04 H new ATOM 0 HA3 GLY A 28 -10.775 -5.180 -13.973 1.00 52.04 H new ATOM 468 N GLU A 29 -11.256 -5.133 -10.719 1.00 22.43 N ATOM 469 CA GLU A 29 -12.168 -4.828 -9.604 1.00 51.24 C ATOM 470 C GLU A 29 -11.874 -3.414 -9.069 1.00 44.23 C ATOM 471 O GLU A 29 -11.470 -3.244 -7.910 1.00 54.02 O ATOM 472 CB GLU A 29 -11.990 -5.885 -8.482 1.00 65.31 C ATOM 473 CG GLU A 29 -12.148 -7.349 -8.928 1.00 55.33 C ATOM 474 CD GLU A 29 -13.588 -7.722 -9.300 1.00 0.44 C ATOM 475 OE1 GLU A 29 -13.965 -7.619 -10.487 1.00 24.30 O ATOM 476 OE2 GLU A 29 -14.353 -8.127 -8.394 1.00 45.12 O ATOM 0 H GLU A 29 -10.433 -5.663 -10.431 1.00 22.43 H new ATOM 0 HA GLU A 29 -13.200 -4.861 -9.953 1.00 51.24 H new ATOM 0 HB2 GLU A 29 -11.000 -5.761 -8.042 1.00 65.31 H new ATOM 0 HB3 GLU A 29 -12.716 -5.682 -7.695 1.00 65.31 H new ATOM 0 HG2 GLU A 29 -11.501 -7.531 -9.786 1.00 55.33 H new ATOM 0 HG3 GLU A 29 -11.807 -8.004 -8.126 1.00 55.33 H new ATOM 483 N TRP A 30 -12.094 -2.411 -9.939 1.00 74.14 N ATOM 484 CA TRP A 30 -11.791 -0.992 -9.659 1.00 53.02 C ATOM 485 C TRP A 30 -12.631 -0.484 -8.480 1.00 43.42 C ATOM 486 O TRP A 30 -12.177 0.345 -7.700 1.00 64.24 O ATOM 487 CB TRP A 30 -12.047 -0.108 -10.918 1.00 54.13 C ATOM 488 CG TRP A 30 -11.493 -0.685 -12.207 1.00 42.32 C ATOM 489 CD1 TRP A 30 -12.209 -1.024 -13.326 1.00 32.10 C ATOM 490 CD2 TRP A 30 -10.120 -1.010 -12.501 1.00 53.22 C ATOM 491 NE1 TRP A 30 -11.373 -1.530 -14.283 1.00 23.50 N ATOM 492 CE2 TRP A 30 -10.090 -1.538 -13.804 1.00 61.13 C ATOM 493 CE3 TRP A 30 -8.920 -0.912 -11.790 1.00 65.10 C ATOM 494 CZ2 TRP A 30 -8.910 -1.967 -14.407 1.00 14.23 C ATOM 495 CZ3 TRP A 30 -7.750 -1.334 -12.389 1.00 22.05 C ATOM 496 CH2 TRP A 30 -7.753 -1.859 -13.688 1.00 52.40 C ATOM 0 H TRP A 30 -12.491 -2.563 -10.866 1.00 74.14 H new ATOM 0 HA TRP A 30 -10.736 -0.920 -9.396 1.00 53.02 H new ATOM 0 HB2 TRP A 30 -13.121 0.040 -11.032 1.00 54.13 H new ATOM 0 HB3 TRP A 30 -11.605 0.875 -10.754 1.00 54.13 H new ATOM 0 HD1 TRP A 30 -13.277 -0.908 -13.436 1.00 32.10 H new ATOM 0 HE1 TRP A 30 -11.660 -1.851 -15.208 1.00 23.50 H new ATOM 0 HE3 TRP A 30 -8.909 -0.512 -10.787 1.00 65.10 H new ATOM 0 HZ2 TRP A 30 -8.909 -2.371 -15.409 1.00 14.23 H new ATOM 0 HZ3 TRP A 30 -6.818 -1.258 -11.848 1.00 22.05 H new ATOM 0 HH2 TRP A 30 -6.823 -2.185 -14.130 1.00 52.40 H new ATOM 507 N ASP A 31 -13.852 -1.034 -8.368 1.00 35.05 N ATOM 508 CA ASP A 31 -14.804 -0.725 -7.297 1.00 52.23 C ATOM 509 C ASP A 31 -14.225 -1.134 -5.921 1.00 55.03 C ATOM 510 O ASP A 31 -14.135 -0.301 -4.999 1.00 75.44 O ATOM 511 CB ASP A 31 -16.140 -1.464 -7.578 1.00 73.13 C ATOM 512 CG ASP A 31 -17.237 -1.105 -6.571 1.00 34.33 C ATOM 513 OD1 ASP A 31 -17.900 -0.066 -6.755 1.00 41.23 O ATOM 514 OD2 ASP A 31 -17.409 -1.822 -5.569 1.00 23.12 O ATOM 0 H ASP A 31 -14.208 -1.719 -9.035 1.00 35.05 H new ATOM 0 HA ASP A 31 -14.988 0.349 -7.271 1.00 52.23 H new ATOM 0 HB2 ASP A 31 -16.481 -1.219 -8.584 1.00 73.13 H new ATOM 0 HB3 ASP A 31 -15.968 -2.540 -7.553 1.00 73.13 H new ATOM 519 N LEU A 32 -13.797 -2.410 -5.814 1.00 0.24 N ATOM 520 CA LEU A 32 -13.216 -2.962 -4.572 1.00 72.21 C ATOM 521 C LEU A 32 -11.895 -2.252 -4.223 1.00 21.21 C ATOM 522 O LEU A 32 -11.530 -2.165 -3.048 1.00 33.13 O ATOM 523 CB LEU A 32 -12.992 -4.496 -4.694 1.00 42.45 C ATOM 524 CG LEU A 32 -14.259 -5.365 -4.974 1.00 23.12 C ATOM 525 CD1 LEU A 32 -13.907 -6.868 -5.008 1.00 12.01 C ATOM 526 CD2 LEU A 32 -15.384 -5.078 -3.953 1.00 70.31 C ATOM 0 H LEU A 32 -13.844 -3.082 -6.580 1.00 0.24 H new ATOM 0 HA LEU A 32 -13.926 -2.785 -3.765 1.00 72.21 H new ATOM 0 HB2 LEU A 32 -12.273 -4.673 -5.494 1.00 42.45 H new ATOM 0 HB3 LEU A 32 -12.534 -4.848 -3.770 1.00 42.45 H new ATOM 0 HG LEU A 32 -14.634 -5.086 -5.959 1.00 23.12 H new ATOM 0 HD11 LEU A 32 -14.808 -7.448 -5.205 1.00 12.01 H new ATOM 0 HD12 LEU A 32 -13.177 -7.053 -5.796 1.00 12.01 H new ATOM 0 HD13 LEU A 32 -13.487 -7.165 -4.047 1.00 12.01 H new ATOM 0 HD21 LEU A 32 -16.249 -5.701 -4.180 1.00 70.31 H new ATOM 0 HD22 LEU A 32 -15.029 -5.303 -2.947 1.00 70.31 H new ATOM 0 HD23 LEU A 32 -15.669 -4.027 -4.011 1.00 70.31 H new ATOM 538 N LEU A 33 -11.191 -1.746 -5.262 1.00 62.40 N ATOM 539 CA LEU A 33 -9.980 -0.931 -5.085 1.00 53.44 C ATOM 540 C LEU A 33 -10.322 0.406 -4.423 1.00 22.54 C ATOM 541 O LEU A 33 -9.693 0.769 -3.448 1.00 30.05 O ATOM 542 CB LEU A 33 -9.251 -0.687 -6.434 1.00 72.52 C ATOM 543 CG LEU A 33 -8.624 -1.942 -7.107 1.00 12.34 C ATOM 544 CD1 LEU A 33 -7.941 -1.582 -8.434 1.00 12.53 C ATOM 545 CD2 LEU A 33 -7.644 -2.647 -6.158 1.00 62.54 C ATOM 0 H LEU A 33 -11.449 -1.893 -6.238 1.00 62.40 H new ATOM 0 HA LEU A 33 -9.305 -1.488 -4.435 1.00 53.44 H new ATOM 0 HB2 LEU A 33 -9.960 -0.241 -7.132 1.00 72.52 H new ATOM 0 HB3 LEU A 33 -8.461 0.046 -6.270 1.00 72.52 H new ATOM 0 HG LEU A 33 -9.435 -2.636 -7.329 1.00 12.34 H new ATOM 0 HD11 LEU A 33 -7.513 -2.481 -8.879 1.00 12.53 H new ATOM 0 HD12 LEU A 33 -8.675 -1.154 -9.117 1.00 12.53 H new ATOM 0 HD13 LEU A 33 -7.149 -0.856 -8.250 1.00 12.53 H new ATOM 0 HD21 LEU A 33 -7.221 -3.520 -6.655 1.00 62.54 H new ATOM 0 HD22 LEU A 33 -6.842 -1.960 -5.887 1.00 62.54 H new ATOM 0 HD23 LEU A 33 -8.172 -2.962 -5.258 1.00 62.54 H new ATOM 557 N LEU A 34 -11.348 1.107 -4.960 1.00 61.30 N ATOM 558 CA LEU A 34 -11.775 2.446 -4.478 1.00 31.44 C ATOM 559 C LEU A 34 -12.335 2.396 -3.036 1.00 71.51 C ATOM 560 O LEU A 34 -12.188 3.360 -2.278 1.00 32.33 O ATOM 561 CB LEU A 34 -12.835 3.052 -5.446 1.00 51.31 C ATOM 562 CG LEU A 34 -12.332 3.382 -6.891 1.00 33.45 C ATOM 563 CD1 LEU A 34 -13.490 3.815 -7.816 1.00 71.41 C ATOM 564 CD2 LEU A 34 -11.221 4.446 -6.866 1.00 41.43 C ATOM 0 H LEU A 34 -11.905 0.761 -5.741 1.00 61.30 H new ATOM 0 HA LEU A 34 -10.891 3.084 -4.462 1.00 31.44 H new ATOM 0 HB2 LEU A 34 -13.669 2.355 -5.523 1.00 51.31 H new ATOM 0 HB3 LEU A 34 -13.225 3.967 -5.000 1.00 51.31 H new ATOM 0 HG LEU A 34 -11.911 2.464 -7.301 1.00 33.45 H new ATOM 0 HD11 LEU A 34 -13.099 4.035 -8.809 1.00 71.41 H new ATOM 0 HD12 LEU A 34 -14.222 3.010 -7.884 1.00 71.41 H new ATOM 0 HD13 LEU A 34 -13.968 4.706 -7.408 1.00 71.41 H new ATOM 0 HD21 LEU A 34 -10.893 4.653 -7.885 1.00 41.43 H new ATOM 0 HD22 LEU A 34 -11.604 5.361 -6.415 1.00 41.43 H new ATOM 0 HD23 LEU A 34 -10.378 4.078 -6.281 1.00 41.43 H new ATOM 576 N GLN A 35 -12.970 1.264 -2.682 1.00 13.14 N ATOM 577 CA GLN A 35 -13.548 1.043 -1.341 1.00 44.04 C ATOM 578 C GLN A 35 -12.424 0.775 -0.310 1.00 51.24 C ATOM 579 O GLN A 35 -12.281 1.494 0.681 1.00 3.21 O ATOM 580 CB GLN A 35 -14.550 -0.146 -1.414 1.00 72.23 C ATOM 581 CG GLN A 35 -15.150 -0.614 -0.067 1.00 43.51 C ATOM 582 CD GLN A 35 -15.907 0.472 0.702 1.00 73.51 C ATOM 583 OE1 GLN A 35 -17.105 0.676 0.504 1.00 52.53 O ATOM 584 NE2 GLN A 35 -15.224 1.156 1.606 1.00 51.35 N ATOM 0 H GLN A 35 -13.098 0.476 -3.317 1.00 13.14 H new ATOM 0 HA GLN A 35 -14.084 1.934 -1.014 1.00 44.04 H new ATOM 0 HB2 GLN A 35 -15.369 0.136 -2.075 1.00 72.23 H new ATOM 0 HB3 GLN A 35 -14.044 -0.993 -1.877 1.00 72.23 H new ATOM 0 HG2 GLN A 35 -15.827 -1.447 -0.255 1.00 43.51 H new ATOM 0 HG3 GLN A 35 -14.345 -0.993 0.563 1.00 43.51 H new ATOM 0 HE21 GLN A 35 -14.232 0.965 1.748 1.00 51.35 H new ATOM 0 HE22 GLN A 35 -15.689 1.874 2.161 1.00 51.35 H new ATOM 593 N GLN A 36 -11.617 -0.258 -0.593 1.00 73.35 N ATOM 594 CA GLN A 36 -10.513 -0.716 0.278 1.00 33.03 C ATOM 595 C GLN A 36 -9.288 0.220 0.224 1.00 31.41 C ATOM 596 O GLN A 36 -8.340 0.032 0.987 1.00 65.31 O ATOM 597 CB GLN A 36 -10.138 -2.166 -0.076 1.00 32.35 C ATOM 598 CG GLN A 36 -11.200 -3.203 0.341 1.00 25.12 C ATOM 599 CD GLN A 36 -11.011 -4.577 -0.290 1.00 43.52 C ATOM 600 OE1 GLN A 36 -10.654 -4.612 -1.562 1.00 3.11 O flip ATOM 601 NE2 GLN A 36 -11.260 -5.606 0.340 1.00 32.32 N flip ATOM 0 H GLN A 36 -11.711 -0.810 -1.445 1.00 73.35 H new ATOM 0 HA GLN A 36 -10.865 -0.685 1.309 1.00 33.03 H new ATOM 0 HB2 GLN A 36 -9.977 -2.237 -1.152 1.00 32.35 H new ATOM 0 HB3 GLN A 36 -9.192 -2.415 0.405 1.00 32.35 H new ATOM 0 HG2 GLN A 36 -11.183 -3.308 1.426 1.00 25.12 H new ATOM 0 HG3 GLN A 36 -12.186 -2.825 0.073 1.00 25.12 H new ATOM 0 HE21 GLN A 36 -11.533 -5.550 1.321 1.00 32.32 H new ATOM 0 HE22 GLN A 36 -11.193 -6.514 -0.119 1.00 32.32 H new ATOM 610 N GLU A 37 -9.295 1.159 -0.742 1.00 70.13 N ATOM 611 CA GLU A 37 -8.330 2.279 -0.835 1.00 3.32 C ATOM 612 C GLU A 37 -8.181 2.986 0.523 1.00 74.03 C ATOM 613 O GLU A 37 -7.058 3.203 1.002 1.00 51.41 O ATOM 614 CB GLU A 37 -8.793 3.249 -1.986 1.00 13.33 C ATOM 615 CG GLU A 37 -8.193 4.678 -2.023 1.00 43.32 C ATOM 616 CD GLU A 37 -9.070 5.718 -1.299 1.00 21.31 C ATOM 617 OE1 GLU A 37 -8.669 6.231 -0.234 1.00 32.21 O ATOM 618 OE2 GLU A 37 -10.179 6.016 -1.798 1.00 33.31 O ATOM 0 H GLU A 37 -9.983 1.163 -1.495 1.00 70.13 H new ATOM 0 HA GLU A 37 -7.337 1.905 -1.086 1.00 3.32 H new ATOM 0 HB2 GLU A 37 -8.568 2.768 -2.938 1.00 13.33 H new ATOM 0 HB3 GLU A 37 -9.877 3.344 -1.926 1.00 13.33 H new ATOM 0 HG2 GLU A 37 -7.204 4.663 -1.565 1.00 43.32 H new ATOM 0 HG3 GLU A 37 -8.059 4.983 -3.061 1.00 43.32 H new ATOM 625 N VAL A 38 -9.330 3.263 1.155 1.00 11.21 N ATOM 626 CA VAL A 38 -9.401 3.903 2.473 1.00 72.21 C ATOM 627 C VAL A 38 -8.717 3.018 3.548 1.00 63.35 C ATOM 628 O VAL A 38 -7.893 3.506 4.330 1.00 62.41 O ATOM 629 CB VAL A 38 -10.900 4.203 2.858 1.00 21.35 C ATOM 630 CG1 VAL A 38 -11.015 4.915 4.226 1.00 64.22 C ATOM 631 CG2 VAL A 38 -11.599 5.026 1.743 1.00 32.43 C ATOM 0 H VAL A 38 -10.245 3.046 0.760 1.00 11.21 H new ATOM 0 HA VAL A 38 -8.865 4.851 2.428 1.00 72.21 H new ATOM 0 HB VAL A 38 -11.410 3.244 2.951 1.00 21.35 H new ATOM 0 HG11 VAL A 38 -12.065 5.102 4.452 1.00 64.22 H new ATOM 0 HG12 VAL A 38 -10.584 4.283 5.003 1.00 64.22 H new ATOM 0 HG13 VAL A 38 -10.477 5.862 4.189 1.00 64.22 H new ATOM 0 HG21 VAL A 38 -12.632 5.222 2.029 1.00 32.43 H new ATOM 0 HG22 VAL A 38 -11.075 5.972 1.606 1.00 32.43 H new ATOM 0 HG23 VAL A 38 -11.581 4.463 0.810 1.00 32.43 H new ATOM 641 N SER A 39 -9.029 1.706 3.526 1.00 73.23 N ATOM 642 CA SER A 39 -8.478 0.716 4.485 1.00 63.12 C ATOM 643 C SER A 39 -6.938 0.614 4.382 1.00 72.12 C ATOM 644 O SER A 39 -6.238 0.634 5.401 1.00 0.51 O ATOM 645 CB SER A 39 -9.119 -0.667 4.233 1.00 12.41 C ATOM 646 OG SER A 39 -10.529 -0.586 4.306 1.00 0.35 O ATOM 0 H SER A 39 -9.670 1.299 2.844 1.00 73.23 H new ATOM 0 HA SER A 39 -8.719 1.054 5.493 1.00 63.12 H new ATOM 0 HB2 SER A 39 -8.822 -1.038 3.252 1.00 12.41 H new ATOM 0 HB3 SER A 39 -8.752 -1.383 4.969 1.00 12.41 H new ATOM 0 HG SER A 39 -10.916 -1.471 4.142 1.00 0.35 H new ATOM 652 N TYR A 40 -6.443 0.545 3.130 1.00 15.35 N ATOM 653 CA TYR A 40 -5.017 0.345 2.818 1.00 4.32 C ATOM 654 C TYR A 40 -4.180 1.562 3.222 1.00 53.51 C ATOM 655 O TYR A 40 -3.162 1.415 3.898 1.00 42.42 O ATOM 656 CB TYR A 40 -4.846 0.050 1.308 1.00 20.31 C ATOM 657 CG TYR A 40 -3.405 -0.284 0.871 1.00 13.35 C ATOM 658 CD1 TYR A 40 -2.723 0.493 -0.067 1.00 63.15 C ATOM 659 CD2 TYR A 40 -2.743 -1.395 1.383 1.00 34.55 C ATOM 660 CE1 TYR A 40 -1.446 0.172 -0.472 1.00 1.45 C ATOM 661 CE2 TYR A 40 -1.464 -1.710 0.985 1.00 50.51 C ATOM 662 CZ TYR A 40 -0.820 -0.928 0.054 1.00 62.32 C ATOM 663 OH TYR A 40 0.455 -1.251 -0.354 1.00 53.33 O ATOM 0 H TYR A 40 -7.030 0.628 2.300 1.00 15.35 H new ATOM 0 HA TYR A 40 -4.659 -0.508 3.394 1.00 4.32 H new ATOM 0 HB2 TYR A 40 -5.494 -0.784 1.040 1.00 20.31 H new ATOM 0 HB3 TYR A 40 -5.190 0.916 0.742 1.00 20.31 H new ATOM 0 HD1 TYR A 40 -3.207 1.364 -0.484 1.00 63.15 H new ATOM 0 HD2 TYR A 40 -3.242 -2.022 2.107 1.00 34.55 H new ATOM 0 HE1 TYR A 40 -0.939 0.786 -1.202 1.00 1.45 H new ATOM 0 HE2 TYR A 40 -0.965 -2.572 1.404 1.00 50.51 H new ATOM 0 HH TYR A 40 0.838 -1.911 0.261 1.00 53.33 H new ATOM 673 N LEU A 41 -4.637 2.761 2.807 1.00 73.43 N ATOM 674 CA LEU A 41 -3.935 4.027 3.096 1.00 31.15 C ATOM 675 C LEU A 41 -4.000 4.357 4.612 1.00 1.22 C ATOM 676 O LEU A 41 -3.094 5.017 5.146 1.00 53.12 O ATOM 677 CB LEU A 41 -4.502 5.175 2.213 1.00 31.15 C ATOM 678 CG LEU A 41 -4.415 4.942 0.663 1.00 53.33 C ATOM 679 CD1 LEU A 41 -5.023 6.122 -0.124 1.00 31.25 C ATOM 680 CD2 LEU A 41 -2.969 4.650 0.205 1.00 33.02 C ATOM 0 H LEU A 41 -5.495 2.878 2.267 1.00 73.43 H new ATOM 0 HA LEU A 41 -2.881 3.916 2.842 1.00 31.15 H new ATOM 0 HB2 LEU A 41 -5.547 5.334 2.481 1.00 31.15 H new ATOM 0 HB3 LEU A 41 -3.968 6.094 2.455 1.00 31.15 H new ATOM 0 HG LEU A 41 -5.010 4.056 0.442 1.00 53.33 H new ATOM 0 HD11 LEU A 41 -4.945 5.925 -1.193 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -6.072 6.238 0.148 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -4.482 7.037 0.117 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -2.953 4.495 -0.874 1.00 33.02 H new ATOM 0 HD22 LEU A 41 -2.329 5.495 0.459 1.00 33.02 H new ATOM 0 HD23 LEU A 41 -2.603 3.754 0.706 1.00 33.02 H new ATOM 692 N GLN A 42 -5.062 3.857 5.292 1.00 14.12 N ATOM 693 CA GLN A 42 -5.181 3.927 6.765 1.00 72.24 C ATOM 694 C GLN A 42 -4.102 3.051 7.442 1.00 54.02 C ATOM 695 O GLN A 42 -3.454 3.478 8.405 1.00 2.21 O ATOM 696 CB GLN A 42 -6.582 3.464 7.234 1.00 11.12 C ATOM 697 CG GLN A 42 -6.804 3.544 8.767 1.00 13.14 C ATOM 698 CD GLN A 42 -8.056 2.820 9.270 1.00 22.44 C ATOM 699 OE1 GLN A 42 -8.069 2.297 10.387 1.00 20.34 O ATOM 700 NE2 GLN A 42 -9.127 2.808 8.488 1.00 5.12 N ATOM 0 H GLN A 42 -5.852 3.399 4.837 1.00 14.12 H new ATOM 0 HA GLN A 42 -5.037 4.968 7.055 1.00 72.24 H new ATOM 0 HB2 GLN A 42 -7.337 4.073 6.738 1.00 11.12 H new ATOM 0 HB3 GLN A 42 -6.739 2.435 6.910 1.00 11.12 H new ATOM 0 HG2 GLN A 42 -5.932 3.125 9.269 1.00 13.14 H new ATOM 0 HG3 GLN A 42 -6.866 4.593 9.057 1.00 13.14 H new ATOM 0 HE21 GLN A 42 -9.092 3.247 7.568 1.00 5.12 H new ATOM 0 HE22 GLN A 42 -9.986 2.359 8.806 1.00 5.12 H new ATOM 709 N SER A 43 -3.929 1.823 6.926 1.00 41.24 N ATOM 710 CA SER A 43 -2.942 0.867 7.454 1.00 3.23 C ATOM 711 C SER A 43 -1.505 1.416 7.284 1.00 72.41 C ATOM 712 O SER A 43 -0.659 1.284 8.182 1.00 62.21 O ATOM 713 CB SER A 43 -3.117 -0.494 6.750 1.00 22.14 C ATOM 714 OG SER A 43 -4.434 -0.978 6.924 1.00 72.24 O ATOM 0 H SER A 43 -4.466 1.467 6.136 1.00 41.24 H new ATOM 0 HA SER A 43 -3.109 0.726 8.522 1.00 3.23 H new ATOM 0 HB2 SER A 43 -2.899 -0.390 5.687 1.00 22.14 H new ATOM 0 HB3 SER A 43 -2.403 -1.213 7.153 1.00 22.14 H new ATOM 0 HG SER A 43 -5.058 -0.417 6.418 1.00 72.24 H new ATOM 720 N ILE A 44 -1.280 2.071 6.130 1.00 61.10 N ATOM 721 CA ILE A 44 -0.017 2.743 5.786 1.00 35.53 C ATOM 722 C ILE A 44 0.311 3.869 6.796 1.00 72.31 C ATOM 723 O ILE A 44 1.393 3.858 7.426 1.00 22.12 O ATOM 724 CB ILE A 44 -0.091 3.304 4.301 1.00 10.23 C ATOM 725 CG1 ILE A 44 0.015 2.132 3.262 1.00 40.42 C ATOM 726 CG2 ILE A 44 0.957 4.410 4.028 1.00 64.42 C ATOM 727 CD1 ILE A 44 -0.083 2.551 1.800 1.00 50.22 C ATOM 0 H ILE A 44 -1.986 2.148 5.398 1.00 61.10 H new ATOM 0 HA ILE A 44 0.792 2.015 5.842 1.00 35.53 H new ATOM 0 HB ILE A 44 -1.065 3.778 4.182 1.00 10.23 H new ATOM 0 HG12 ILE A 44 0.964 1.618 3.413 1.00 40.42 H new ATOM 0 HG13 ILE A 44 -0.775 1.410 3.470 1.00 40.42 H new ATOM 0 HG21 ILE A 44 0.861 4.756 2.999 1.00 64.42 H new ATOM 0 HG22 ILE A 44 0.791 5.245 4.709 1.00 64.42 H new ATOM 0 HG23 ILE A 44 1.958 4.009 4.184 1.00 64.42 H new ATOM 0 HD11 ILE A 44 0.001 1.671 1.163 1.00 50.22 H new ATOM 0 HD12 ILE A 44 -1.043 3.036 1.624 1.00 50.22 H new ATOM 0 HD13 ILE A 44 0.723 3.247 1.566 1.00 50.22 H new ATOM 739 N GLU A 45 -0.643 4.815 6.972 1.00 50.41 N ATOM 740 CA GLU A 45 -0.425 5.989 7.836 1.00 51.44 C ATOM 741 C GLU A 45 -0.211 5.557 9.299 1.00 32.24 C ATOM 742 O GLU A 45 0.623 6.137 9.988 1.00 20.53 O ATOM 743 CB GLU A 45 -1.596 7.009 7.722 1.00 40.22 C ATOM 744 CG GLU A 45 -2.937 6.531 8.307 1.00 75.15 C ATOM 745 CD GLU A 45 -4.107 7.489 8.063 1.00 72.11 C ATOM 746 OE1 GLU A 45 -4.395 8.343 8.933 1.00 41.42 O ATOM 747 OE2 GLU A 45 -4.727 7.413 6.982 1.00 1.23 O ATOM 0 H GLU A 45 -1.561 4.784 6.529 1.00 50.41 H new ATOM 0 HA GLU A 45 0.479 6.490 7.491 1.00 51.44 H new ATOM 0 HB2 GLU A 45 -1.305 7.930 8.226 1.00 40.22 H new ATOM 0 HB3 GLU A 45 -1.743 7.254 6.670 1.00 40.22 H new ATOM 0 HG2 GLU A 45 -3.182 5.560 7.877 1.00 75.15 H new ATOM 0 HG3 GLU A 45 -2.820 6.384 9.381 1.00 75.15 H new ATOM 754 N THR A 46 -0.928 4.495 9.747 1.00 23.33 N ATOM 755 CA THR A 46 -0.849 4.035 11.141 1.00 61.02 C ATOM 756 C THR A 46 0.442 3.216 11.394 1.00 43.31 C ATOM 757 O THR A 46 0.942 3.206 12.524 1.00 15.31 O ATOM 758 CB THR A 46 -2.136 3.245 11.597 1.00 53.33 C ATOM 759 OG1 THR A 46 -2.193 3.178 13.033 1.00 53.14 O ATOM 760 CG2 THR A 46 -2.199 1.817 11.029 1.00 2.35 C ATOM 0 H THR A 46 -1.561 3.950 9.161 1.00 23.33 H new ATOM 0 HA THR A 46 -0.803 4.930 11.761 1.00 61.02 H new ATOM 0 HB THR A 46 -2.990 3.796 11.202 1.00 53.33 H new ATOM 0 HG1 THR A 46 -1.711 3.941 13.415 1.00 53.14 H new ATOM 0 HG21 THR A 46 -3.107 1.326 11.379 1.00 2.35 H new ATOM 0 HG22 THR A 46 -2.206 1.859 9.940 1.00 2.35 H new ATOM 0 HG23 THR A 46 -1.329 1.253 11.365 1.00 2.35 H new ATOM 768 N VAL A 47 1.010 2.548 10.358 1.00 11.44 N ATOM 769 CA VAL A 47 2.297 1.826 10.542 1.00 75.13 C ATOM 770 C VAL A 47 3.478 2.822 10.588 1.00 33.02 C ATOM 771 O VAL A 47 4.462 2.600 11.303 1.00 73.24 O ATOM 772 CB VAL A 47 2.568 0.715 9.453 1.00 55.31 C ATOM 773 CG1 VAL A 47 3.209 1.281 8.155 1.00 51.11 C ATOM 774 CG2 VAL A 47 3.426 -0.428 10.039 1.00 52.05 C ATOM 0 H VAL A 47 0.616 2.493 9.419 1.00 11.44 H new ATOM 0 HA VAL A 47 2.211 1.307 11.496 1.00 75.13 H new ATOM 0 HB VAL A 47 1.595 0.315 9.167 1.00 55.31 H new ATOM 0 HG11 VAL A 47 3.371 0.470 7.445 1.00 51.11 H new ATOM 0 HG12 VAL A 47 2.543 2.022 7.713 1.00 51.11 H new ATOM 0 HG13 VAL A 47 4.164 1.749 8.395 1.00 51.11 H new ATOM 0 HG21 VAL A 47 3.600 -1.182 9.272 1.00 52.05 H new ATOM 0 HG22 VAL A 47 4.381 -0.028 10.379 1.00 52.05 H new ATOM 0 HG23 VAL A 47 2.902 -0.881 10.881 1.00 52.05 H new ATOM 784 N MET A 48 3.369 3.921 9.806 1.00 31.41 N ATOM 785 CA MET A 48 4.405 4.976 9.770 1.00 43.35 C ATOM 786 C MET A 48 4.255 5.899 11.003 1.00 3.20 C ATOM 787 O MET A 48 5.202 6.581 11.411 1.00 35.31 O ATOM 788 CB MET A 48 4.320 5.744 8.425 1.00 75.24 C ATOM 789 CG MET A 48 5.514 6.670 8.135 1.00 52.11 C ATOM 790 SD MET A 48 5.608 7.175 6.402 1.00 2.50 S ATOM 791 CE MET A 48 5.908 5.604 5.578 1.00 44.14 C ATOM 0 H MET A 48 2.574 4.099 9.192 1.00 31.41 H new ATOM 0 HA MET A 48 5.400 4.534 9.824 1.00 43.35 H new ATOM 0 HB2 MET A 48 4.234 5.020 7.614 1.00 75.24 H new ATOM 0 HB3 MET A 48 3.407 6.339 8.419 1.00 75.24 H new ATOM 0 HG2 MET A 48 5.440 7.558 8.763 1.00 52.11 H new ATOM 0 HG3 MET A 48 6.438 6.161 8.410 1.00 52.11 H new ATOM 0 HE1 MET A 48 6.333 5.786 4.591 1.00 44.14 H new ATOM 0 HE2 MET A 48 6.605 5.010 6.169 1.00 44.14 H new ATOM 0 HE3 MET A 48 4.968 5.062 5.474 1.00 44.14 H new ATOM 801 N GLU A 49 3.039 5.889 11.579 1.00 61.12 N ATOM 802 CA GLU A 49 2.722 6.478 12.901 1.00 53.00 C ATOM 803 C GLU A 49 3.456 5.717 14.027 1.00 31.41 C ATOM 804 O GLU A 49 3.830 6.309 15.046 1.00 42.02 O ATOM 805 CB GLU A 49 1.192 6.385 13.124 1.00 51.31 C ATOM 806 CG GLU A 49 0.666 6.810 14.509 1.00 64.04 C ATOM 807 CD GLU A 49 -0.762 6.296 14.772 1.00 25.52 C ATOM 808 OE1 GLU A 49 -1.739 7.007 14.447 1.00 71.24 O ATOM 809 OE2 GLU A 49 -0.910 5.153 15.269 1.00 73.52 O ATOM 0 H GLU A 49 2.228 5.462 11.131 1.00 61.12 H new ATOM 0 HA GLU A 49 3.049 7.518 12.922 1.00 53.00 H new ATOM 0 HB2 GLU A 49 0.701 7.000 12.370 1.00 51.31 H new ATOM 0 HB3 GLU A 49 0.884 5.355 12.945 1.00 51.31 H new ATOM 0 HG2 GLU A 49 1.335 6.431 15.282 1.00 64.04 H new ATOM 0 HG3 GLU A 49 0.678 7.897 14.582 1.00 64.04 H new ATOM 923 N THR A 57 15.050 -7.148 17.078 1.00 34.20 N ATOM 924 CA THR A 57 15.647 -8.497 16.961 1.00 72.13 C ATOM 925 C THR A 57 15.313 -9.125 15.594 1.00 22.34 C ATOM 926 O THR A 57 14.407 -8.653 14.892 1.00 64.13 O ATOM 927 CB THR A 57 15.194 -9.430 18.135 1.00 2.45 C ATOM 928 OG1 THR A 57 15.960 -10.643 18.127 1.00 65.52 O ATOM 929 CG2 THR A 57 13.699 -9.775 18.071 1.00 73.34 C ATOM 0 HA THR A 57 16.729 -8.388 17.031 1.00 72.13 H new ATOM 0 HB THR A 57 15.369 -8.879 19.059 1.00 2.45 H new ATOM 0 HG1 THR A 57 15.670 -11.218 18.866 1.00 65.52 H new ATOM 0 HG21 THR A 57 13.439 -10.424 18.908 1.00 73.34 H new ATOM 0 HG22 THR A 57 13.111 -8.859 18.126 1.00 73.34 H new ATOM 0 HG23 THR A 57 13.484 -10.288 17.134 1.00 73.34 H new ATOM 937 N ARG A 58 16.033 -10.214 15.256 1.00 5.24 N ATOM 938 CA ARG A 58 16.058 -10.797 13.899 1.00 41.43 C ATOM 939 C ARG A 58 14.710 -11.443 13.517 1.00 53.34 C ATOM 940 O ARG A 58 14.415 -11.595 12.331 1.00 14.02 O ATOM 941 CB ARG A 58 17.201 -11.842 13.786 1.00 42.31 C ATOM 942 CG ARG A 58 18.590 -11.356 14.267 1.00 64.44 C ATOM 943 CD ARG A 58 19.110 -10.126 13.498 1.00 75.50 C ATOM 944 NE ARG A 58 20.406 -9.649 14.031 1.00 25.35 N ATOM 945 CZ ARG A 58 20.582 -8.577 14.831 1.00 33.45 C ATOM 946 NH1 ARG A 58 19.548 -7.831 15.227 1.00 23.32 N ATOM 947 NH2 ARG A 58 21.800 -8.244 15.223 1.00 14.34 N ATOM 0 H ARG A 58 16.618 -10.718 15.923 1.00 5.24 H new ATOM 0 HA ARG A 58 16.239 -9.981 13.199 1.00 41.43 H new ATOM 0 HB2 ARG A 58 16.923 -12.724 14.363 1.00 42.31 H new ATOM 0 HB3 ARG A 58 17.284 -12.155 12.745 1.00 42.31 H new ATOM 0 HG2 ARG A 58 18.534 -11.114 15.328 1.00 64.44 H new ATOM 0 HG3 ARG A 58 19.307 -12.170 14.163 1.00 64.44 H new ATOM 0 HD2 ARG A 58 19.222 -10.378 12.443 1.00 75.50 H new ATOM 0 HD3 ARG A 58 18.375 -9.323 13.558 1.00 75.50 H new ATOM 0 HE ARG A 58 21.239 -10.177 13.771 1.00 25.35 H new ATOM 0 HH11 ARG A 58 18.603 -8.068 14.925 1.00 23.32 H new ATOM 0 HH12 ARG A 58 19.703 -7.025 15.832 1.00 23.32 H new ATOM 0 HH21 ARG A 58 22.602 -8.797 14.921 1.00 14.34 H new ATOM 0 HH22 ARG A 58 21.938 -7.434 15.828 1.00 14.34 H new ATOM 961 N SER A 59 13.913 -11.835 14.538 1.00 64.24 N ATOM 962 CA SER A 59 12.565 -12.403 14.341 1.00 11.55 C ATOM 963 C SER A 59 11.621 -11.330 13.775 1.00 11.41 C ATOM 964 O SER A 59 10.999 -11.525 12.711 1.00 54.24 O ATOM 965 CB SER A 59 12.026 -12.947 15.683 1.00 70.55 C ATOM 966 OG SER A 59 12.933 -13.871 16.252 1.00 41.54 O ATOM 0 H SER A 59 14.188 -11.765 15.518 1.00 64.24 H new ATOM 0 HA SER A 59 12.621 -13.225 13.628 1.00 11.55 H new ATOM 0 HB2 SER A 59 11.860 -12.121 16.375 1.00 70.55 H new ATOM 0 HB3 SER A 59 11.061 -13.429 15.524 1.00 70.55 H new ATOM 0 HG SER A 59 12.573 -14.202 17.101 1.00 41.54 H new ATOM 972 N ILE A 60 11.563 -10.182 14.495 1.00 74.24 N ATOM 973 CA ILE A 60 10.732 -9.024 14.118 1.00 41.10 C ATOM 974 C ILE A 60 11.181 -8.507 12.744 1.00 14.51 C ATOM 975 O ILE A 60 10.359 -8.256 11.883 1.00 3.40 O ATOM 976 CB ILE A 60 10.841 -7.834 15.145 1.00 2.51 C ATOM 977 CG1 ILE A 60 10.695 -8.311 16.618 1.00 70.23 C ATOM 978 CG2 ILE A 60 9.798 -6.723 14.827 1.00 55.35 C ATOM 979 CD1 ILE A 60 11.082 -7.250 17.648 1.00 24.51 C ATOM 0 H ILE A 60 12.094 -10.039 15.354 1.00 74.24 H new ATOM 0 HA ILE A 60 9.697 -9.367 14.104 1.00 41.10 H new ATOM 0 HB ILE A 60 11.842 -7.416 15.036 1.00 2.51 H new ATOM 0 HG12 ILE A 60 9.663 -8.614 16.792 1.00 70.23 H new ATOM 0 HG13 ILE A 60 11.316 -9.194 16.768 1.00 70.23 H new ATOM 0 HG21 ILE A 60 9.896 -5.914 15.551 1.00 55.35 H new ATOM 0 HG22 ILE A 60 9.974 -6.335 13.824 1.00 55.35 H new ATOM 0 HG23 ILE A 60 8.793 -7.141 14.883 1.00 55.35 H new ATOM 0 HD11 ILE A 60 10.955 -7.654 18.652 1.00 24.51 H new ATOM 0 HD12 ILE A 60 12.123 -6.963 17.501 1.00 24.51 H new ATOM 0 HD13 ILE A 60 10.444 -6.375 17.526 1.00 24.51 H new ATOM 991 N GLN A 61 12.513 -8.402 12.575 1.00 10.42 N ATOM 992 CA GLN A 61 13.148 -7.874 11.361 1.00 21.52 C ATOM 993 C GLN A 61 12.822 -8.745 10.137 1.00 21.21 C ATOM 994 O GLN A 61 12.536 -8.214 9.070 1.00 71.40 O ATOM 995 CB GLN A 61 14.682 -7.767 11.568 1.00 31.42 C ATOM 996 CG GLN A 61 15.468 -7.132 10.399 1.00 51.25 C ATOM 997 CD GLN A 61 14.972 -5.729 10.031 1.00 23.12 C ATOM 998 OE1 GLN A 61 14.111 -5.562 9.167 1.00 61.45 O ATOM 999 NE2 GLN A 61 15.479 -4.720 10.709 1.00 44.45 N ATOM 0 H GLN A 61 13.183 -8.686 13.289 1.00 10.42 H new ATOM 0 HA GLN A 61 12.748 -6.878 11.170 1.00 21.52 H new ATOM 0 HB2 GLN A 61 14.870 -7.183 12.469 1.00 31.42 H new ATOM 0 HB3 GLN A 61 15.077 -8.767 11.748 1.00 31.42 H new ATOM 0 HG2 GLN A 61 16.524 -7.079 10.665 1.00 51.25 H new ATOM 0 HG3 GLN A 61 15.392 -7.778 9.525 1.00 51.25 H new ATOM 0 HE21 GLN A 61 16.191 -4.889 11.419 1.00 44.45 H new ATOM 0 HE22 GLN A 61 15.159 -3.769 10.524 1.00 44.45 H new ATOM 1008 N ASP A 62 12.841 -10.080 10.320 1.00 2.42 N ATOM 1009 CA ASP A 62 12.525 -11.039 9.244 1.00 42.02 C ATOM 1010 C ASP A 62 11.060 -10.881 8.806 1.00 11.44 C ATOM 1011 O ASP A 62 10.783 -10.705 7.613 1.00 12.03 O ATOM 1012 CB ASP A 62 12.788 -12.500 9.699 1.00 1.04 C ATOM 1013 CG ASP A 62 12.524 -13.536 8.585 1.00 32.34 C ATOM 1014 OD1 ASP A 62 11.398 -14.070 8.493 1.00 51.40 O ATOM 1015 OD2 ASP A 62 13.438 -13.801 7.776 1.00 4.44 O ATOM 0 H ASP A 62 13.074 -10.521 11.210 1.00 2.42 H new ATOM 0 HA ASP A 62 13.178 -10.823 8.398 1.00 42.02 H new ATOM 0 HB2 ASP A 62 13.821 -12.590 10.034 1.00 1.04 H new ATOM 0 HB3 ASP A 62 12.154 -12.727 10.556 1.00 1.04 H new ATOM 1020 N MET A 63 10.140 -10.936 9.797 1.00 14.33 N ATOM 1021 CA MET A 63 8.685 -10.848 9.545 1.00 0.14 C ATOM 1022 C MET A 63 8.315 -9.514 8.875 1.00 51.14 C ATOM 1023 O MET A 63 7.677 -9.510 7.824 1.00 22.54 O ATOM 1024 CB MET A 63 7.883 -11.048 10.860 1.00 44.04 C ATOM 1025 CG MET A 63 7.981 -12.460 11.449 1.00 51.12 C ATOM 1026 SD MET A 63 7.045 -12.648 12.979 1.00 52.30 S ATOM 1027 CE MET A 63 7.889 -11.509 14.075 1.00 54.44 C ATOM 0 H MET A 63 10.383 -11.041 10.782 1.00 14.33 H new ATOM 0 HA MET A 63 8.417 -11.651 8.858 1.00 0.14 H new ATOM 0 HB2 MET A 63 8.238 -10.332 11.601 1.00 44.04 H new ATOM 0 HB3 MET A 63 6.835 -10.817 10.671 1.00 44.04 H new ATOM 0 HG2 MET A 63 7.618 -13.180 10.716 1.00 51.12 H new ATOM 0 HG3 MET A 63 9.028 -12.698 11.638 1.00 51.12 H new ATOM 0 HE1 MET A 63 7.458 -11.578 15.074 1.00 54.44 H new ATOM 0 HE2 MET A 63 8.948 -11.763 14.118 1.00 54.44 H new ATOM 0 HE3 MET A 63 7.775 -10.492 13.700 1.00 54.44 H new ATOM 1037 N VAL A 64 8.778 -8.410 9.481 1.00 45.04 N ATOM 1038 CA VAL A 64 8.490 -7.041 9.034 1.00 10.55 C ATOM 1039 C VAL A 64 9.053 -6.781 7.632 1.00 12.31 C ATOM 1040 O VAL A 64 8.319 -6.309 6.776 1.00 21.25 O ATOM 1041 CB VAL A 64 9.022 -5.982 10.079 1.00 60.25 C ATOM 1042 CG1 VAL A 64 9.064 -4.549 9.502 1.00 55.35 C ATOM 1043 CG2 VAL A 64 8.162 -6.031 11.371 1.00 62.01 C ATOM 0 H VAL A 64 9.373 -8.445 10.309 1.00 45.04 H new ATOM 0 HA VAL A 64 7.407 -6.930 8.972 1.00 10.55 H new ATOM 0 HB VAL A 64 10.050 -6.251 10.320 1.00 60.25 H new ATOM 0 HG11 VAL A 64 9.437 -3.862 10.261 1.00 55.35 H new ATOM 0 HG12 VAL A 64 9.724 -4.525 8.635 1.00 55.35 H new ATOM 0 HG13 VAL A 64 8.060 -4.248 9.202 1.00 55.35 H new ATOM 0 HG21 VAL A 64 8.536 -5.298 12.085 1.00 62.01 H new ATOM 0 HG22 VAL A 64 7.125 -5.803 11.126 1.00 62.01 H new ATOM 0 HG23 VAL A 64 8.221 -7.027 11.809 1.00 62.01 H new ATOM 1053 N ALA A 65 10.344 -7.130 7.403 1.00 42.25 N ATOM 1054 CA ALA A 65 10.995 -6.973 6.081 1.00 61.24 C ATOM 1055 C ALA A 65 10.306 -7.849 5.019 1.00 62.45 C ATOM 1056 O ALA A 65 10.297 -7.501 3.834 1.00 44.13 O ATOM 1057 CB ALA A 65 12.493 -7.294 6.148 1.00 14.02 C ATOM 0 H ALA A 65 10.954 -7.523 8.120 1.00 42.25 H new ATOM 0 HA ALA A 65 10.889 -5.928 5.790 1.00 61.24 H new ATOM 0 HB1 ALA A 65 12.937 -7.168 5.160 1.00 14.02 H new ATOM 0 HB2 ALA A 65 12.979 -6.619 6.853 1.00 14.02 H new ATOM 0 HB3 ALA A 65 12.630 -8.324 6.479 1.00 14.02 H new ATOM 1063 N GLY A 66 9.734 -8.981 5.476 1.00 55.55 N ATOM 1064 CA GLY A 66 8.924 -9.844 4.629 1.00 23.02 C ATOM 1065 C GLY A 66 7.657 -9.139 4.151 1.00 2.33 C ATOM 1066 O GLY A 66 7.345 -9.157 2.958 1.00 73.31 O ATOM 0 H GLY A 66 9.826 -9.311 6.437 1.00 55.55 H new ATOM 0 HA2 GLY A 66 9.511 -10.162 3.767 1.00 23.02 H new ATOM 0 HA3 GLY A 66 8.653 -10.745 5.180 1.00 23.02 H new ATOM 1070 N TYR A 67 6.959 -8.477 5.103 1.00 24.22 N ATOM 1071 CA TYR A 67 5.726 -7.709 4.828 1.00 43.25 C ATOM 1072 C TYR A 67 6.044 -6.437 4.018 1.00 71.02 C ATOM 1073 O TYR A 67 5.220 -5.978 3.233 1.00 15.44 O ATOM 1074 CB TYR A 67 5.015 -7.311 6.147 1.00 10.23 C ATOM 1075 CG TYR A 67 4.716 -8.465 7.120 1.00 4.24 C ATOM 1076 CD1 TYR A 67 4.864 -8.293 8.501 1.00 32.41 C ATOM 1077 CD2 TYR A 67 4.285 -9.722 6.667 1.00 54.41 C ATOM 1078 CE1 TYR A 67 4.599 -9.316 9.386 1.00 53.44 C ATOM 1079 CE2 TYR A 67 4.021 -10.749 7.554 1.00 23.20 C ATOM 1080 CZ TYR A 67 4.180 -10.540 8.911 1.00 43.14 C ATOM 1081 OH TYR A 67 3.921 -11.562 9.801 1.00 30.10 O ATOM 0 H TYR A 67 7.237 -8.462 6.084 1.00 24.22 H new ATOM 0 HA TYR A 67 5.064 -8.350 4.246 1.00 43.25 H new ATOM 0 HB2 TYR A 67 5.633 -6.576 6.663 1.00 10.23 H new ATOM 0 HB3 TYR A 67 4.075 -6.819 5.897 1.00 10.23 H new ATOM 0 HD1 TYR A 67 5.193 -7.337 8.882 1.00 32.41 H new ATOM 0 HD2 TYR A 67 4.158 -9.889 5.608 1.00 54.41 H new ATOM 0 HE1 TYR A 67 4.719 -9.159 10.448 1.00 53.44 H new ATOM 0 HE2 TYR A 67 3.692 -11.710 7.188 1.00 23.20 H new ATOM 0 HH TYR A 67 3.634 -12.359 9.309 1.00 30.10 H new ATOM 1091 N ILE A 68 7.263 -5.902 4.237 1.00 61.42 N ATOM 1092 CA ILE A 68 7.789 -4.701 3.569 1.00 44.12 C ATOM 1093 C ILE A 68 7.948 -4.968 2.069 1.00 23.13 C ATOM 1094 O ILE A 68 7.375 -4.259 1.252 1.00 3.42 O ATOM 1095 CB ILE A 68 9.169 -4.253 4.226 1.00 0.32 C ATOM 1096 CG1 ILE A 68 8.911 -3.474 5.560 1.00 31.52 C ATOM 1097 CG2 ILE A 68 10.081 -3.452 3.256 1.00 44.14 C ATOM 1098 CD1 ILE A 68 10.157 -2.997 6.286 1.00 63.30 C ATOM 0 H ILE A 68 7.923 -6.306 4.901 1.00 61.42 H new ATOM 0 HA ILE A 68 7.081 -3.882 3.699 1.00 44.12 H new ATOM 0 HB ILE A 68 9.722 -5.164 4.456 1.00 0.32 H new ATOM 0 HG12 ILE A 68 8.285 -2.609 5.341 1.00 31.52 H new ATOM 0 HG13 ILE A 68 8.343 -4.117 6.232 1.00 31.52 H new ATOM 0 HG21 ILE A 68 11.004 -3.178 3.767 1.00 44.14 H new ATOM 0 HG22 ILE A 68 10.316 -4.066 2.387 1.00 44.14 H new ATOM 0 HG23 ILE A 68 9.564 -2.549 2.933 1.00 44.14 H new ATOM 0 HD11 ILE A 68 9.869 -2.470 7.196 1.00 63.30 H new ATOM 0 HD12 ILE A 68 10.778 -3.855 6.545 1.00 63.30 H new ATOM 0 HD13 ILE A 68 10.719 -2.324 5.639 1.00 63.30 H new ATOM 1110 N LYS A 69 8.712 -6.020 1.729 1.00 74.22 N ATOM 1111 CA LYS A 69 8.981 -6.378 0.328 1.00 43.15 C ATOM 1112 C LYS A 69 7.718 -6.917 -0.348 1.00 71.12 C ATOM 1113 O LYS A 69 7.536 -6.714 -1.550 1.00 1.32 O ATOM 1114 CB LYS A 69 10.149 -7.395 0.241 1.00 24.44 C ATOM 1115 CG LYS A 69 11.499 -6.836 0.735 1.00 22.51 C ATOM 1116 CD LYS A 69 11.969 -5.601 -0.079 1.00 2.10 C ATOM 1117 CE LYS A 69 13.306 -5.033 0.425 1.00 0.52 C ATOM 1118 NZ LYS A 69 13.735 -3.844 -0.359 1.00 32.31 N ATOM 0 H LYS A 69 9.155 -6.638 2.409 1.00 74.22 H new ATOM 0 HA LYS A 69 9.281 -5.478 -0.208 1.00 43.15 H new ATOM 0 HB2 LYS A 69 9.895 -8.277 0.829 1.00 24.44 H new ATOM 0 HB3 LYS A 69 10.258 -7.721 -0.793 1.00 24.44 H new ATOM 0 HG2 LYS A 69 11.411 -6.561 1.786 1.00 22.51 H new ATOM 0 HG3 LYS A 69 12.256 -7.617 0.672 1.00 22.51 H new ATOM 0 HD2 LYS A 69 12.069 -5.879 -1.128 1.00 2.10 H new ATOM 0 HD3 LYS A 69 11.206 -4.824 -0.027 1.00 2.10 H new ATOM 0 HE2 LYS A 69 13.211 -4.760 1.476 1.00 0.52 H new ATOM 0 HE3 LYS A 69 14.074 -5.804 0.364 1.00 0.52 H new ATOM 0 HZ1 LYS A 69 14.640 -3.491 0.012 1.00 32.31 H new ATOM 0 HZ2 LYS A 69 13.850 -4.110 -1.358 1.00 32.31 H new ATOM 0 HZ3 LYS A 69 13.015 -3.098 -0.280 1.00 32.31 H new ATOM 1132 N GLN A 70 6.847 -7.583 0.447 1.00 14.54 N ATOM 1133 CA GLN A 70 5.541 -8.063 -0.026 1.00 74.53 C ATOM 1134 C GLN A 70 4.710 -6.874 -0.523 1.00 31.12 C ATOM 1135 O GLN A 70 4.374 -6.802 -1.711 1.00 2.25 O ATOM 1136 CB GLN A 70 4.786 -8.810 1.111 1.00 51.15 C ATOM 1137 CG GLN A 70 3.422 -9.432 0.719 1.00 51.53 C ATOM 1138 CD GLN A 70 3.536 -10.617 -0.241 1.00 11.35 C ATOM 1139 OE1 GLN A 70 3.488 -10.460 -1.460 1.00 34.54 O ATOM 1140 NE2 GLN A 70 3.709 -11.808 0.306 1.00 2.15 N ATOM 0 H GLN A 70 7.035 -7.798 1.426 1.00 14.54 H new ATOM 0 HA GLN A 70 5.697 -8.763 -0.846 1.00 74.53 H new ATOM 0 HB2 GLN A 70 5.431 -9.603 1.489 1.00 51.15 H new ATOM 0 HB3 GLN A 70 4.623 -8.113 1.933 1.00 51.15 H new ATOM 0 HG2 GLN A 70 2.909 -9.758 1.624 1.00 51.53 H new ATOM 0 HG3 GLN A 70 2.801 -8.663 0.260 1.00 51.53 H new ATOM 0 HE21 GLN A 70 3.744 -11.903 1.321 1.00 2.15 H new ATOM 0 HE22 GLN A 70 3.807 -12.632 -0.287 1.00 2.15 H new ATOM 1149 N THR A 71 4.459 -5.901 0.384 1.00 44.14 N ATOM 1150 CA THR A 71 3.570 -4.777 0.098 1.00 53.33 C ATOM 1151 C THR A 71 4.152 -3.868 -0.993 1.00 64.53 C ATOM 1152 O THR A 71 3.425 -3.496 -1.890 1.00 43.23 O ATOM 1153 CB THR A 71 3.193 -3.944 1.370 1.00 32.12 C ATOM 1154 OG1 THR A 71 2.153 -3.029 1.020 1.00 20.51 O ATOM 1155 CG2 THR A 71 4.362 -3.146 1.987 1.00 4.10 C ATOM 0 H THR A 71 4.866 -5.882 1.319 1.00 44.14 H new ATOM 0 HA THR A 71 2.643 -5.217 -0.270 1.00 53.33 H new ATOM 0 HB THR A 71 2.882 -4.664 2.127 1.00 32.12 H new ATOM 0 HG1 THR A 71 2.407 -2.124 1.296 1.00 20.51 H new ATOM 0 HG21 THR A 71 4.008 -2.600 2.862 1.00 4.10 H new ATOM 0 HG22 THR A 71 5.155 -3.833 2.284 1.00 4.10 H new ATOM 0 HG23 THR A 71 4.749 -2.441 1.252 1.00 4.10 H new ATOM 1163 N LEU A 72 5.467 -3.554 -0.918 1.00 14.23 N ATOM 1164 CA LEU A 72 6.150 -2.690 -1.907 1.00 24.41 C ATOM 1165 C LEU A 72 6.150 -3.325 -3.310 1.00 11.33 C ATOM 1166 O LEU A 72 6.073 -2.604 -4.300 1.00 60.45 O ATOM 1167 CB LEU A 72 7.605 -2.355 -1.454 1.00 54.11 C ATOM 1168 CG LEU A 72 7.730 -1.419 -0.207 1.00 73.04 C ATOM 1169 CD1 LEU A 72 9.198 -1.261 0.234 1.00 72.33 C ATOM 1170 CD2 LEU A 72 7.086 -0.042 -0.474 1.00 0.44 C ATOM 0 H LEU A 72 6.080 -3.890 -0.175 1.00 14.23 H new ATOM 0 HA LEU A 72 5.588 -1.758 -1.964 1.00 24.41 H new ATOM 0 HB2 LEU A 72 8.122 -3.290 -1.237 1.00 54.11 H new ATOM 0 HB3 LEU A 72 8.127 -1.888 -2.289 1.00 54.11 H new ATOM 0 HG LEU A 72 7.186 -1.892 0.610 1.00 73.04 H new ATOM 0 HD11 LEU A 72 9.248 -0.604 1.103 1.00 72.33 H new ATOM 0 HD12 LEU A 72 9.607 -2.238 0.493 1.00 72.33 H new ATOM 0 HD13 LEU A 72 9.778 -0.829 -0.581 1.00 72.33 H new ATOM 0 HD21 LEU A 72 7.189 0.586 0.411 1.00 0.44 H new ATOM 0 HD22 LEU A 72 7.585 0.435 -1.317 1.00 0.44 H new ATOM 0 HD23 LEU A 72 6.029 -0.173 -0.705 1.00 0.44 H new ATOM 1182 N ASP A 73 6.242 -4.675 -3.384 1.00 33.54 N ATOM 1183 CA ASP A 73 6.144 -5.403 -4.668 1.00 70.11 C ATOM 1184 C ASP A 73 4.728 -5.271 -5.261 1.00 1.33 C ATOM 1185 O ASP A 73 4.567 -4.798 -6.398 1.00 44.31 O ATOM 1186 CB ASP A 73 6.513 -6.901 -4.495 1.00 71.52 C ATOM 1187 CG ASP A 73 6.428 -7.693 -5.812 1.00 42.45 C ATOM 1188 OD1 ASP A 73 7.349 -7.560 -6.647 1.00 25.30 O ATOM 1189 OD2 ASP A 73 5.430 -8.421 -6.031 1.00 23.24 O ATOM 0 H ASP A 73 6.383 -5.277 -2.573 1.00 33.54 H new ATOM 0 HA ASP A 73 6.858 -4.954 -5.358 1.00 70.11 H new ATOM 0 HB2 ASP A 73 7.524 -6.977 -4.095 1.00 71.52 H new ATOM 0 HB3 ASP A 73 5.845 -7.352 -3.761 1.00 71.52 H new ATOM 1194 N ASN A 74 3.707 -5.667 -4.467 1.00 2.35 N ATOM 1195 CA ASN A 74 2.296 -5.644 -4.907 1.00 31.11 C ATOM 1196 C ASN A 74 1.842 -4.211 -5.239 1.00 1.12 C ATOM 1197 O ASN A 74 1.052 -4.007 -6.151 1.00 12.14 O ATOM 1198 CB ASN A 74 1.350 -6.240 -3.836 1.00 64.21 C ATOM 1199 CG ASN A 74 1.513 -7.741 -3.599 1.00 0.21 C ATOM 1200 OD1 ASN A 74 1.005 -8.562 -4.356 1.00 43.01 O ATOM 1201 ND2 ASN A 74 2.144 -8.121 -2.510 1.00 13.20 N ATOM 0 H ASN A 74 3.837 -6.008 -3.514 1.00 2.35 H new ATOM 0 HA ASN A 74 2.240 -6.259 -5.805 1.00 31.11 H new ATOM 0 HB2 ASN A 74 1.516 -5.718 -2.894 1.00 64.21 H new ATOM 0 HB3 ASN A 74 0.320 -6.043 -4.132 1.00 64.21 H new ATOM 0 HD21 ASN A 74 2.217 -9.113 -2.283 1.00 13.20 H new ATOM 0 HD22 ASN A 74 2.560 -7.424 -1.892 1.00 13.20 H new ATOM 1208 N GLU A 75 2.384 -3.237 -4.488 1.00 71.31 N ATOM 1209 CA GLU A 75 2.045 -1.810 -4.605 1.00 64.24 C ATOM 1210 C GLU A 75 2.748 -1.162 -5.810 1.00 32.12 C ATOM 1211 O GLU A 75 2.203 -0.237 -6.417 1.00 30.41 O ATOM 1212 CB GLU A 75 2.426 -1.075 -3.304 1.00 61.42 C ATOM 1213 CG GLU A 75 2.160 0.431 -3.312 1.00 53.31 C ATOM 1214 CD GLU A 75 2.677 1.129 -2.054 1.00 44.53 C ATOM 1215 OE1 GLU A 75 1.868 1.370 -1.123 1.00 15.22 O ATOM 1216 OE2 GLU A 75 3.895 1.435 -1.996 1.00 60.51 O ATOM 0 H GLU A 75 3.083 -3.424 -3.769 1.00 71.31 H new ATOM 0 HA GLU A 75 0.970 -1.727 -4.766 1.00 64.24 H new ATOM 0 HB2 GLU A 75 1.874 -1.522 -2.477 1.00 61.42 H new ATOM 0 HB3 GLU A 75 3.485 -1.241 -3.107 1.00 61.42 H new ATOM 0 HG2 GLU A 75 2.632 0.874 -4.189 1.00 53.31 H new ATOM 0 HG3 GLU A 75 1.088 0.606 -3.405 1.00 53.31 H new ATOM 1223 N GLN A 76 3.963 -1.636 -6.133 1.00 42.10 N ATOM 1224 CA GLN A 76 4.706 -1.191 -7.328 1.00 34.44 C ATOM 1225 C GLN A 76 3.964 -1.661 -8.594 1.00 21.34 C ATOM 1226 O GLN A 76 3.778 -0.883 -9.538 1.00 63.24 O ATOM 1227 CB GLN A 76 6.158 -1.735 -7.281 1.00 43.34 C ATOM 1228 CG GLN A 76 7.068 -1.312 -8.447 1.00 4.22 C ATOM 1229 CD GLN A 76 8.505 -1.820 -8.281 1.00 70.54 C ATOM 1230 OE1 GLN A 76 9.356 -1.151 -7.697 1.00 4.21 O ATOM 1231 NE2 GLN A 76 8.780 -3.018 -8.762 1.00 23.53 N ATOM 0 H GLN A 76 4.457 -2.335 -5.578 1.00 42.10 H new ATOM 0 HA GLN A 76 4.762 -0.103 -7.349 1.00 34.44 H new ATOM 0 HB2 GLN A 76 6.618 -1.409 -6.348 1.00 43.34 H new ATOM 0 HB3 GLN A 76 6.118 -2.824 -7.253 1.00 43.34 H new ATOM 0 HG2 GLN A 76 6.657 -1.693 -9.382 1.00 4.22 H new ATOM 0 HG3 GLN A 76 7.076 -0.225 -8.522 1.00 4.22 H new ATOM 0 HE21 GLN A 76 8.057 -3.553 -9.242 1.00 23.53 H new ATOM 0 HE22 GLN A 76 9.716 -3.409 -8.653 1.00 23.53 H new ATOM 1240 N LEU A 77 3.499 -2.923 -8.569 1.00 63.35 N ATOM 1241 CA LEU A 77 2.665 -3.494 -9.643 1.00 73.53 C ATOM 1242 C LEU A 77 1.290 -2.781 -9.712 1.00 11.44 C ATOM 1243 O LEU A 77 0.778 -2.529 -10.813 1.00 31.00 O ATOM 1244 CB LEU A 77 2.509 -5.024 -9.432 1.00 21.21 C ATOM 1245 CG LEU A 77 3.715 -5.907 -9.879 1.00 62.25 C ATOM 1246 CD1 LEU A 77 3.595 -7.347 -9.344 1.00 73.23 C ATOM 1247 CD2 LEU A 77 3.854 -5.900 -11.418 1.00 13.31 C ATOM 0 H LEU A 77 3.690 -3.574 -7.807 1.00 63.35 H new ATOM 0 HA LEU A 77 3.158 -3.332 -10.601 1.00 73.53 H new ATOM 0 HB2 LEU A 77 2.324 -5.207 -8.373 1.00 21.21 H new ATOM 0 HB3 LEU A 77 1.622 -5.356 -9.972 1.00 21.21 H new ATOM 0 HG LEU A 77 4.619 -5.475 -9.449 1.00 62.25 H new ATOM 0 HD11 LEU A 77 4.453 -7.931 -9.676 1.00 73.23 H new ATOM 0 HD12 LEU A 77 3.568 -7.329 -8.254 1.00 73.23 H new ATOM 0 HD13 LEU A 77 2.679 -7.801 -9.722 1.00 73.23 H new ATOM 0 HD21 LEU A 77 4.701 -6.521 -11.710 1.00 13.31 H new ATOM 0 HD22 LEU A 77 2.943 -6.294 -11.867 1.00 13.31 H new ATOM 0 HD23 LEU A 77 4.017 -4.879 -11.764 1.00 13.31 H new ATOM 1259 N LEU A 78 0.719 -2.445 -8.523 1.00 33.04 N ATOM 1260 CA LEU A 78 -0.510 -1.620 -8.405 1.00 12.03 C ATOM 1261 C LEU A 78 -0.294 -0.251 -9.051 1.00 10.32 C ATOM 1262 O LEU A 78 -1.142 0.219 -9.792 1.00 2.12 O ATOM 1263 CB LEU A 78 -0.941 -1.427 -6.908 1.00 12.44 C ATOM 1264 CG LEU A 78 -1.831 -2.544 -6.285 1.00 42.24 C ATOM 1265 CD1 LEU A 78 -1.955 -2.382 -4.751 1.00 22.40 C ATOM 1266 CD2 LEU A 78 -3.222 -2.551 -6.952 1.00 12.22 C ATOM 0 H LEU A 78 1.099 -2.739 -7.623 1.00 33.04 H new ATOM 0 HA LEU A 78 -1.308 -2.152 -8.924 1.00 12.03 H new ATOM 0 HB2 LEU A 78 -0.039 -1.335 -6.304 1.00 12.44 H new ATOM 0 HB3 LEU A 78 -1.477 -0.481 -6.828 1.00 12.44 H new ATOM 0 HG LEU A 78 -1.349 -3.503 -6.472 1.00 42.24 H new ATOM 0 HD11 LEU A 78 -2.583 -3.178 -4.351 1.00 22.40 H new ATOM 0 HD12 LEU A 78 -0.965 -2.438 -4.298 1.00 22.40 H new ATOM 0 HD13 LEU A 78 -2.405 -1.416 -4.522 1.00 22.40 H new ATOM 0 HD21 LEU A 78 -3.834 -3.336 -6.508 1.00 12.22 H new ATOM 0 HD22 LEU A 78 -3.703 -1.585 -6.800 1.00 12.22 H new ATOM 0 HD23 LEU A 78 -3.112 -2.737 -8.020 1.00 12.22 H new ATOM 1278 N LYS A 79 0.869 0.358 -8.766 1.00 44.11 N ATOM 1279 CA LYS A 79 1.181 1.724 -9.182 1.00 2.03 C ATOM 1280 C LYS A 79 1.286 1.801 -10.705 1.00 33.53 C ATOM 1281 O LYS A 79 0.719 2.696 -11.305 1.00 24.45 O ATOM 1282 CB LYS A 79 2.484 2.232 -8.519 1.00 33.33 C ATOM 1283 CG LYS A 79 2.756 3.745 -8.732 1.00 2.41 C ATOM 1284 CD LYS A 79 4.101 4.215 -8.128 1.00 72.12 C ATOM 1285 CE LYS A 79 4.208 3.972 -6.614 1.00 71.54 C ATOM 1286 NZ LYS A 79 5.545 4.359 -6.096 1.00 74.12 N ATOM 0 H LYS A 79 1.618 -0.090 -8.238 1.00 44.11 H new ATOM 0 HA LYS A 79 0.369 2.372 -8.852 1.00 2.03 H new ATOM 0 HB2 LYS A 79 2.437 2.029 -7.449 1.00 33.33 H new ATOM 0 HB3 LYS A 79 3.326 1.663 -8.915 1.00 33.33 H new ATOM 0 HG2 LYS A 79 2.750 3.962 -9.800 1.00 2.41 H new ATOM 0 HG3 LYS A 79 1.944 4.320 -8.286 1.00 2.41 H new ATOM 0 HD2 LYS A 79 4.917 3.696 -8.630 1.00 72.12 H new ATOM 0 HD3 LYS A 79 4.229 5.279 -8.328 1.00 72.12 H new ATOM 0 HE2 LYS A 79 3.437 4.543 -6.097 1.00 71.54 H new ATOM 0 HE3 LYS A 79 4.024 2.919 -6.399 1.00 71.54 H new ATOM 0 HZ1 LYS A 79 5.646 4.029 -5.115 1.00 74.12 H new ATOM 0 HZ2 LYS A 79 6.284 3.925 -6.685 1.00 74.12 H new ATOM 0 HZ3 LYS A 79 5.642 5.394 -6.125 1.00 74.12 H new ATOM 1300 N GLY A 80 1.989 0.816 -11.307 1.00 41.44 N ATOM 1301 CA GLY A 80 2.180 0.759 -12.757 1.00 11.03 C ATOM 1302 C GLY A 80 0.886 0.477 -13.517 1.00 2.54 C ATOM 1303 O GLY A 80 0.576 1.150 -14.514 1.00 52.13 O ATOM 0 H GLY A 80 2.432 0.050 -10.800 1.00 41.44 H new ATOM 0 HA2 GLY A 80 2.598 1.705 -13.101 1.00 11.03 H new ATOM 0 HA3 GLY A 80 2.910 -0.016 -12.992 1.00 11.03 H new ATOM 1307 N LEU A 81 0.119 -0.514 -13.017 1.00 51.11 N ATOM 1308 CA LEU A 81 -1.147 -0.951 -13.630 1.00 55.22 C ATOM 1309 C LEU A 81 -2.192 0.179 -13.575 1.00 13.23 C ATOM 1310 O LEU A 81 -2.837 0.488 -14.576 1.00 72.52 O ATOM 1311 CB LEU A 81 -1.637 -2.253 -12.918 1.00 32.35 C ATOM 1312 CG LEU A 81 -2.922 -2.972 -13.492 1.00 63.14 C ATOM 1313 CD1 LEU A 81 -2.922 -4.479 -13.157 1.00 34.31 C ATOM 1314 CD2 LEU A 81 -4.227 -2.323 -12.966 1.00 62.44 C ATOM 0 H LEU A 81 0.363 -1.034 -12.174 1.00 51.11 H new ATOM 0 HA LEU A 81 -0.993 -1.180 -14.684 1.00 55.22 H new ATOM 0 HB2 LEU A 81 -0.817 -2.971 -12.934 1.00 32.35 H new ATOM 0 HB3 LEU A 81 -1.829 -2.010 -11.873 1.00 32.35 H new ATOM 0 HG LEU A 81 -2.888 -2.851 -14.575 1.00 63.14 H new ATOM 0 HD11 LEU A 81 -3.819 -4.943 -13.566 1.00 34.31 H new ATOM 0 HD12 LEU A 81 -2.040 -4.949 -13.593 1.00 34.31 H new ATOM 0 HD13 LEU A 81 -2.907 -4.611 -12.075 1.00 34.31 H new ATOM 0 HD21 LEU A 81 -5.087 -2.846 -13.384 1.00 62.44 H new ATOM 0 HD22 LEU A 81 -4.254 -2.391 -11.878 1.00 62.44 H new ATOM 0 HD23 LEU A 81 -4.259 -1.275 -13.265 1.00 62.44 H new ATOM 1326 N LEU A 82 -2.336 0.783 -12.386 1.00 43.21 N ATOM 1327 CA LEU A 82 -3.306 1.861 -12.124 1.00 44.45 C ATOM 1328 C LEU A 82 -2.853 3.188 -12.745 1.00 64.14 C ATOM 1329 O LEU A 82 -3.693 4.044 -13.006 1.00 11.33 O ATOM 1330 CB LEU A 82 -3.550 1.996 -10.598 1.00 53.35 C ATOM 1331 CG LEU A 82 -4.445 0.874 -9.972 1.00 50.13 C ATOM 1332 CD1 LEU A 82 -4.238 0.756 -8.457 1.00 25.43 C ATOM 1333 CD2 LEU A 82 -5.926 1.136 -10.297 1.00 75.22 C ATOM 0 H LEU A 82 -1.777 0.535 -11.570 1.00 43.21 H new ATOM 0 HA LEU A 82 -4.251 1.599 -12.600 1.00 44.45 H new ATOM 0 HB2 LEU A 82 -2.586 1.998 -10.089 1.00 53.35 H new ATOM 0 HB3 LEU A 82 -4.015 2.962 -10.403 1.00 53.35 H new ATOM 0 HG LEU A 82 -4.145 -0.076 -10.414 1.00 50.13 H new ATOM 0 HD11 LEU A 82 -4.878 -0.034 -8.063 1.00 25.43 H new ATOM 0 HD12 LEU A 82 -3.195 0.516 -8.250 1.00 25.43 H new ATOM 0 HD13 LEU A 82 -4.494 1.702 -7.980 1.00 25.43 H new ATOM 0 HD21 LEU A 82 -6.540 0.350 -9.857 1.00 75.22 H new ATOM 0 HD22 LEU A 82 -6.223 2.101 -9.887 1.00 75.22 H new ATOM 0 HD23 LEU A 82 -6.066 1.143 -11.378 1.00 75.22 H new ATOM 1345 N GLN A 83 -1.531 3.348 -12.987 1.00 20.51 N ATOM 1346 CA GLN A 83 -1.008 4.513 -13.721 1.00 21.15 C ATOM 1347 C GLN A 83 -1.488 4.415 -15.172 1.00 21.31 C ATOM 1348 O GLN A 83 -2.049 5.372 -15.696 1.00 54.33 O ATOM 1349 CB GLN A 83 0.555 4.600 -13.648 1.00 64.44 C ATOM 1350 CG GLN A 83 1.177 5.964 -14.064 1.00 12.24 C ATOM 1351 CD GLN A 83 1.122 6.287 -15.568 1.00 50.32 C ATOM 1352 OE1 GLN A 83 1.308 5.283 -16.418 1.00 2.45 O flip ATOM 1353 NE2 GLN A 83 0.946 7.439 -15.962 1.00 32.54 N flip ATOM 0 H GLN A 83 -0.815 2.687 -12.685 1.00 20.51 H new ATOM 0 HA GLN A 83 -1.384 5.427 -13.261 1.00 21.15 H new ATOM 0 HB2 GLN A 83 0.865 4.377 -12.627 1.00 64.44 H new ATOM 0 HB3 GLN A 83 0.974 3.822 -14.286 1.00 64.44 H new ATOM 0 HG2 GLN A 83 0.664 6.758 -13.521 1.00 12.24 H new ATOM 0 HG3 GLN A 83 2.219 5.981 -13.745 1.00 12.24 H new ATOM 0 HE21 GLN A 83 0.805 8.192 -15.289 1.00 32.54 H new ATOM 0 HE22 GLN A 83 0.941 7.641 -16.962 1.00 32.54 H new ATOM 1362 N GLN A 84 -1.266 3.235 -15.790 1.00 5.41 N ATOM 1363 CA GLN A 84 -1.669 2.968 -17.181 1.00 1.12 C ATOM 1364 C GLN A 84 -3.211 2.973 -17.320 1.00 52.11 C ATOM 1365 O GLN A 84 -3.742 3.370 -18.367 1.00 33.42 O ATOM 1366 CB GLN A 84 -1.063 1.623 -17.673 1.00 40.23 C ATOM 1367 CG GLN A 84 -1.386 1.254 -19.145 1.00 1.22 C ATOM 1368 CD GLN A 84 -0.880 2.284 -20.171 1.00 2.22 C ATOM 1369 OE1 GLN A 84 0.242 2.193 -20.673 1.00 61.12 O ATOM 1370 NE2 GLN A 84 -1.712 3.258 -20.500 1.00 22.12 N ATOM 0 H GLN A 84 -0.804 2.446 -15.338 1.00 5.41 H new ATOM 0 HA GLN A 84 -1.279 3.766 -17.813 1.00 1.12 H new ATOM 0 HB2 GLN A 84 0.020 1.666 -17.555 1.00 40.23 H new ATOM 0 HB3 GLN A 84 -1.423 0.822 -17.027 1.00 40.23 H new ATOM 0 HG2 GLN A 84 -0.945 0.283 -19.371 1.00 1.22 H new ATOM 0 HG3 GLN A 84 -2.465 1.147 -19.254 1.00 1.22 H new ATOM 0 HE21 GLN A 84 -2.635 3.308 -20.068 1.00 22.12 H new ATOM 0 HE22 GLN A 84 -1.431 3.959 -21.186 1.00 22.12 H new ATOM 1379 N ARG A 85 -3.913 2.558 -16.242 1.00 13.04 N ATOM 1380 CA ARG A 85 -5.379 2.573 -16.193 1.00 44.04 C ATOM 1381 C ARG A 85 -5.875 4.024 -16.272 1.00 51.21 C ATOM 1382 O ARG A 85 -6.646 4.361 -17.168 1.00 34.53 O ATOM 1383 CB ARG A 85 -5.916 1.869 -14.910 1.00 60.02 C ATOM 1384 CG ARG A 85 -7.460 1.872 -14.774 1.00 74.52 C ATOM 1385 CD ARG A 85 -8.171 1.215 -15.979 1.00 2.32 C ATOM 1386 NE ARG A 85 -9.641 1.261 -15.856 1.00 33.43 N ATOM 1387 CZ ARG A 85 -10.513 0.681 -16.706 1.00 32.41 C ATOM 1388 NH1 ARG A 85 -10.089 -0.006 -17.761 1.00 43.13 N ATOM 1389 NH2 ARG A 85 -11.816 0.795 -16.493 1.00 52.25 N ATOM 0 H ARG A 85 -3.476 2.207 -15.390 1.00 13.04 H new ATOM 0 HA ARG A 85 -5.763 2.014 -17.047 1.00 44.04 H new ATOM 0 HB2 ARG A 85 -5.565 0.837 -14.903 1.00 60.02 H new ATOM 0 HB3 ARG A 85 -5.486 2.358 -14.036 1.00 60.02 H new ATOM 0 HG2 ARG A 85 -7.740 1.345 -13.862 1.00 74.52 H new ATOM 0 HG3 ARG A 85 -7.808 2.899 -14.669 1.00 74.52 H new ATOM 0 HD2 ARG A 85 -7.869 1.721 -16.896 1.00 2.32 H new ATOM 0 HD3 ARG A 85 -7.848 0.178 -16.067 1.00 2.32 H new ATOM 0 HE ARG A 85 -10.029 1.773 -15.064 1.00 33.43 H new ATOM 0 HH11 ARG A 85 -9.089 -0.102 -17.939 1.00 43.13 H new ATOM 0 HH12 ARG A 85 -10.763 -0.438 -18.393 1.00 43.13 H new ATOM 0 HH21 ARG A 85 -12.157 1.320 -15.688 1.00 52.25 H new ATOM 0 HH22 ARG A 85 -12.478 0.357 -17.134 1.00 52.25 H new ATOM 1403 N LEU A 86 -5.376 4.876 -15.357 1.00 42.02 N ATOM 1404 CA LEU A 86 -5.736 6.304 -15.306 1.00 2.54 C ATOM 1405 C LEU A 86 -5.265 7.046 -16.560 1.00 54.51 C ATOM 1406 O LEU A 86 -5.935 7.959 -16.995 1.00 53.53 O ATOM 1407 CB LEU A 86 -5.141 6.969 -14.041 1.00 41.13 C ATOM 1408 CG LEU A 86 -5.726 6.468 -12.692 1.00 5.21 C ATOM 1409 CD1 LEU A 86 -4.910 7.005 -11.505 1.00 45.35 C ATOM 1410 CD2 LEU A 86 -7.226 6.830 -12.566 1.00 23.24 C ATOM 0 H LEU A 86 -4.714 4.594 -14.634 1.00 42.02 H new ATOM 0 HA LEU A 86 -6.823 6.368 -15.264 1.00 2.54 H new ATOM 0 HB2 LEU A 86 -4.064 6.803 -14.035 1.00 41.13 H new ATOM 0 HB3 LEU A 86 -5.297 8.046 -14.109 1.00 41.13 H new ATOM 0 HG LEU A 86 -5.652 5.381 -12.674 1.00 5.21 H new ATOM 0 HD11 LEU A 86 -5.340 6.640 -10.573 1.00 45.35 H new ATOM 0 HD12 LEU A 86 -3.879 6.662 -11.588 1.00 45.35 H new ATOM 0 HD13 LEU A 86 -4.932 8.095 -11.512 1.00 45.35 H new ATOM 0 HD21 LEU A 86 -7.609 6.467 -11.612 1.00 23.24 H new ATOM 0 HD22 LEU A 86 -7.345 7.912 -12.616 1.00 23.24 H new ATOM 0 HD23 LEU A 86 -7.782 6.366 -13.381 1.00 23.24 H new ATOM 1422 N ASP A 87 -4.122 6.621 -17.131 1.00 15.31 N ATOM 1423 CA ASP A 87 -3.537 7.226 -18.346 1.00 3.43 C ATOM 1424 C ASP A 87 -4.488 7.039 -19.541 1.00 43.30 C ATOM 1425 O ASP A 87 -4.788 7.999 -20.272 1.00 31.12 O ATOM 1426 CB ASP A 87 -2.141 6.593 -18.642 1.00 62.33 C ATOM 1427 CG ASP A 87 -1.496 7.089 -19.946 1.00 14.43 C ATOM 1428 OD1 ASP A 87 -1.271 6.272 -20.876 1.00 5.41 O ATOM 1429 OD2 ASP A 87 -1.227 8.300 -20.055 1.00 65.13 O ATOM 0 H ASP A 87 -3.574 5.844 -16.761 1.00 15.31 H new ATOM 0 HA ASP A 87 -3.400 8.295 -18.181 1.00 3.43 H new ATOM 0 HB2 ASP A 87 -1.471 6.811 -17.811 1.00 62.33 H new ATOM 0 HB3 ASP A 87 -2.247 5.509 -18.690 1.00 62.33 H new ATOM 1434 N GLU A 88 -4.981 5.792 -19.692 1.00 54.41 N ATOM 1435 CA GLU A 88 -5.936 5.427 -20.741 1.00 32.41 C ATOM 1436 C GLU A 88 -7.257 6.187 -20.532 1.00 24.32 C ATOM 1437 O GLU A 88 -7.668 6.927 -21.409 1.00 71.44 O ATOM 1438 CB GLU A 88 -6.192 3.903 -20.753 1.00 15.11 C ATOM 1439 CG GLU A 88 -7.100 3.436 -21.917 1.00 63.11 C ATOM 1440 CD GLU A 88 -7.471 1.954 -21.836 1.00 64.23 C ATOM 1441 OE1 GLU A 88 -8.454 1.622 -21.141 1.00 62.12 O ATOM 1442 OE2 GLU A 88 -6.750 1.111 -22.420 1.00 42.14 O ATOM 0 H GLU A 88 -4.723 5.014 -19.085 1.00 54.41 H new ATOM 0 HA GLU A 88 -5.511 5.704 -21.705 1.00 32.41 H new ATOM 0 HB2 GLU A 88 -5.236 3.383 -20.818 1.00 15.11 H new ATOM 0 HB3 GLU A 88 -6.650 3.612 -19.807 1.00 15.11 H new ATOM 0 HG2 GLU A 88 -8.012 4.032 -21.919 1.00 63.11 H new ATOM 0 HG3 GLU A 88 -6.593 3.626 -22.863 1.00 63.11 H new ATOM 1449 N LEU A 89 -7.866 6.016 -19.330 1.00 25.11 N ATOM 1450 CA LEU A 89 -9.140 6.674 -18.932 1.00 10.52 C ATOM 1451 C LEU A 89 -9.097 8.195 -19.167 1.00 34.23 C ATOM 1452 O LEU A 89 -10.069 8.774 -19.640 1.00 61.34 O ATOM 1453 CB LEU A 89 -9.462 6.384 -17.440 1.00 64.12 C ATOM 1454 CG LEU A 89 -9.761 4.899 -17.076 1.00 12.43 C ATOM 1455 CD1 LEU A 89 -9.917 4.731 -15.553 1.00 33.42 C ATOM 1456 CD2 LEU A 89 -11.002 4.374 -17.834 1.00 62.33 C ATOM 0 H LEU A 89 -7.483 5.412 -18.603 1.00 25.11 H new ATOM 0 HA LEU A 89 -9.927 6.257 -19.560 1.00 10.52 H new ATOM 0 HB2 LEU A 89 -8.620 6.722 -16.836 1.00 64.12 H new ATOM 0 HB3 LEU A 89 -10.323 6.987 -17.152 1.00 64.12 H new ATOM 0 HG LEU A 89 -8.910 4.296 -17.393 1.00 12.43 H new ATOM 0 HD11 LEU A 89 -10.125 3.686 -15.322 1.00 33.42 H new ATOM 0 HD12 LEU A 89 -8.995 5.036 -15.057 1.00 33.42 H new ATOM 0 HD13 LEU A 89 -10.741 5.352 -15.201 1.00 33.42 H new ATOM 0 HD21 LEU A 89 -11.184 3.335 -17.558 1.00 62.33 H new ATOM 0 HD22 LEU A 89 -11.871 4.977 -17.571 1.00 62.33 H new ATOM 0 HD23 LEU A 89 -10.827 4.439 -18.908 1.00 62.33 H new ATOM 1468 N SER A 90 -7.943 8.803 -18.845 1.00 11.44 N ATOM 1469 CA SER A 90 -7.684 10.231 -19.081 1.00 61.54 C ATOM 1470 C SER A 90 -7.761 10.536 -20.578 1.00 41.11 C ATOM 1471 O SER A 90 -8.475 11.444 -20.985 1.00 25.33 O ATOM 1472 CB SER A 90 -6.302 10.632 -18.517 1.00 72.34 C ATOM 1473 OG SER A 90 -6.320 10.690 -17.101 1.00 1.41 O ATOM 0 H SER A 90 -7.160 8.314 -18.411 1.00 11.44 H new ATOM 0 HA SER A 90 -8.445 10.815 -18.564 1.00 61.54 H new ATOM 0 HB2 SER A 90 -5.551 9.913 -18.844 1.00 72.34 H new ATOM 0 HB3 SER A 90 -6.011 11.602 -18.919 1.00 72.34 H new ATOM 0 HG SER A 90 -6.197 9.789 -16.735 1.00 1.41 H new ATOM 1819 N MET A1001 -13.449 8.685 -9.278 1.00 74.53 N ATOM 1820 CA MET A1001 -12.557 7.564 -9.616 1.00 61.42 C ATOM 1821 C MET A1001 -11.104 8.057 -9.786 1.00 25.24 C ATOM 1822 O MET A1001 -10.178 7.531 -9.147 1.00 2.31 O ATOM 1823 CB MET A1001 -13.073 6.888 -10.919 1.00 43.31 C ATOM 1824 CG MET A1001 -12.192 5.763 -11.486 1.00 74.10 C ATOM 1825 SD MET A1001 -12.853 5.092 -13.032 1.00 72.11 S ATOM 1826 CE MET A1001 -12.939 6.555 -14.077 1.00 13.43 C ATOM 0 HA MET A1001 -12.561 6.835 -8.806 1.00 61.42 H new ATOM 0 HB2 MET A1001 -14.066 6.483 -10.726 1.00 43.31 H new ATOM 0 HB3 MET A1001 -13.185 7.656 -11.684 1.00 43.31 H new ATOM 0 HG2 MET A1001 -11.185 6.144 -11.658 1.00 74.10 H new ATOM 0 HG3 MET A1001 -12.109 4.963 -10.750 1.00 74.10 H new ATOM 0 HE1 MET A1001 -12.944 6.254 -15.125 1.00 13.43 H new ATOM 0 HE2 MET A1001 -13.851 7.108 -13.854 1.00 13.43 H new ATOM 0 HE3 MET A1001 -12.074 7.190 -13.886 1.00 13.43 H new ATOM 1836 N THR A1002 -10.936 9.106 -10.619 1.00 25.23 N ATOM 1837 CA THR A1002 -9.620 9.678 -10.927 1.00 32.54 C ATOM 1838 C THR A1002 -8.995 10.347 -9.688 1.00 13.43 C ATOM 1839 O THR A1002 -7.839 10.090 -9.403 1.00 54.43 O ATOM 1840 CB THR A1002 -9.697 10.696 -12.114 1.00 51.01 C ATOM 1841 OG1 THR A1002 -10.694 11.684 -11.833 1.00 52.32 O ATOM 1842 CG2 THR A1002 -10.026 9.998 -13.451 1.00 64.12 C ATOM 0 H THR A1002 -11.709 9.574 -11.092 1.00 25.23 H new ATOM 0 HA THR A1002 -8.978 8.852 -11.231 1.00 32.54 H new ATOM 0 HB THR A1002 -8.718 11.165 -12.215 1.00 51.01 H new ATOM 0 HG1 THR A1002 -10.741 12.322 -12.575 1.00 52.32 H new ATOM 0 HG21 THR A1002 -10.070 10.740 -14.248 1.00 64.12 H new ATOM 0 HG22 THR A1002 -9.251 9.266 -13.679 1.00 64.12 H new ATOM 0 HG23 THR A1002 -10.989 9.494 -13.371 1.00 64.12 H new ATOM 1850 N THR A1003 -9.786 11.165 -8.941 1.00 42.21 N ATOM 1851 CA THR A1003 -9.304 11.855 -7.714 1.00 31.54 C ATOM 1852 C THR A1003 -8.757 10.851 -6.685 1.00 61.52 C ATOM 1853 O THR A1003 -7.634 11.028 -6.185 1.00 14.42 O ATOM 1854 CB THR A1003 -10.426 12.728 -7.052 1.00 40.23 C ATOM 1855 OG1 THR A1003 -10.771 13.817 -7.924 1.00 33.32 O ATOM 1856 CG2 THR A1003 -10.027 13.289 -5.669 1.00 32.20 C ATOM 0 H THR A1003 -10.761 11.362 -9.168 1.00 42.21 H new ATOM 0 HA THR A1003 -8.496 12.516 -8.029 1.00 31.54 H new ATOM 0 HB THR A1003 -11.281 12.070 -6.896 1.00 40.23 H new ATOM 0 HG1 THR A1003 -11.473 14.359 -7.508 1.00 33.32 H new ATOM 0 HG21 THR A1003 -10.848 13.883 -5.267 1.00 32.20 H new ATOM 0 HG22 THR A1003 -9.810 12.464 -4.991 1.00 32.20 H new ATOM 0 HG23 THR A1003 -9.142 13.916 -5.772 1.00 32.20 H new ATOM 1864 N ARG A1004 -9.557 9.796 -6.404 1.00 53.20 N ATOM 1865 CA ARG A1004 -9.182 8.742 -5.453 1.00 52.11 C ATOM 1866 C ARG A1004 -7.884 8.070 -5.879 1.00 11.24 C ATOM 1867 O ARG A1004 -6.940 8.055 -5.105 1.00 0.10 O ATOM 1868 CB ARG A1004 -10.286 7.667 -5.302 1.00 41.25 C ATOM 1869 CG ARG A1004 -11.514 8.105 -4.486 1.00 2.32 C ATOM 1870 CD ARG A1004 -12.489 6.941 -4.272 1.00 22.40 C ATOM 1871 NE ARG A1004 -13.637 7.321 -3.444 1.00 61.20 N ATOM 1872 CZ ARG A1004 -13.917 6.827 -2.226 1.00 15.23 C ATOM 1873 NH1 ARG A1004 -13.121 5.929 -1.642 1.00 75.32 N ATOM 1874 NH2 ARG A1004 -14.996 7.241 -1.600 1.00 32.43 N ATOM 0 H ARG A1004 -10.473 9.659 -6.831 1.00 53.20 H new ATOM 0 HA ARG A1004 -9.047 9.228 -4.487 1.00 52.11 H new ATOM 0 HB2 ARG A1004 -10.618 7.367 -6.296 1.00 41.25 H new ATOM 0 HB3 ARG A1004 -9.851 6.785 -4.831 1.00 41.25 H new ATOM 0 HG2 ARG A1004 -11.191 8.493 -3.520 1.00 2.32 H new ATOM 0 HG3 ARG A1004 -12.024 8.918 -5.002 1.00 2.32 H new ATOM 0 HD2 ARG A1004 -12.844 6.585 -5.239 1.00 22.40 H new ATOM 0 HD3 ARG A1004 -11.963 6.111 -3.800 1.00 22.40 H new ATOM 0 HE ARG A1004 -14.277 8.019 -3.824 1.00 61.20 H new ATOM 0 HH11 ARG A1004 -12.281 5.604 -2.121 1.00 75.32 H new ATOM 0 HH12 ARG A1004 -13.353 5.567 -0.717 1.00 75.32 H new ATOM 0 HH21 ARG A1004 -15.608 7.929 -2.039 1.00 32.43 H new ATOM 0 HH22 ARG A1004 -15.221 6.875 -0.675 1.00 32.43 H new ATOM 1888 N LEU A1005 -7.845 7.560 -7.130 1.00 41.04 N ATOM 1889 CA LEU A1005 -6.708 6.755 -7.615 1.00 3.20 C ATOM 1890 C LEU A1005 -5.423 7.590 -7.823 1.00 5.24 C ATOM 1891 O LEU A1005 -4.337 7.049 -7.670 1.00 63.43 O ATOM 1892 CB LEU A1005 -7.082 5.967 -8.895 1.00 34.21 C ATOM 1893 CG LEU A1005 -8.062 4.769 -8.713 1.00 74.44 C ATOM 1894 CD1 LEU A1005 -8.365 4.092 -10.067 1.00 52.32 C ATOM 1895 CD2 LEU A1005 -7.522 3.747 -7.679 1.00 71.54 C ATOM 0 H LEU A1005 -8.586 7.692 -7.818 1.00 41.04 H new ATOM 0 HA LEU A1005 -6.482 6.036 -6.827 1.00 3.20 H new ATOM 0 HB2 LEU A1005 -7.524 6.664 -9.608 1.00 34.21 H new ATOM 0 HB3 LEU A1005 -6.163 5.591 -9.345 1.00 34.21 H new ATOM 0 HG LEU A1005 -8.999 5.164 -8.320 1.00 74.44 H new ATOM 0 HD11 LEU A1005 -9.051 3.259 -9.912 1.00 52.32 H new ATOM 0 HD12 LEU A1005 -8.820 4.816 -10.742 1.00 52.32 H new ATOM 0 HD13 LEU A1005 -7.438 3.722 -10.504 1.00 52.32 H new ATOM 0 HD21 LEU A1005 -8.230 2.925 -7.576 1.00 71.54 H new ATOM 0 HD22 LEU A1005 -6.562 3.359 -8.018 1.00 71.54 H new ATOM 0 HD23 LEU A1005 -7.394 4.238 -6.714 1.00 71.54 H new ATOM 1907 N THR A1006 -5.544 8.893 -8.148 1.00 34.51 N ATOM 1908 CA THR A1006 -4.366 9.780 -8.299 1.00 23.33 C ATOM 1909 C THR A1006 -3.764 10.086 -6.920 1.00 24.44 C ATOM 1910 O THR A1006 -2.549 9.955 -6.731 1.00 2.32 O ATOM 1911 CB THR A1006 -4.700 11.120 -9.049 1.00 43.14 C ATOM 1912 OG1 THR A1006 -5.793 11.787 -8.397 1.00 24.02 O ATOM 1913 CG2 THR A1006 -5.042 10.880 -10.533 1.00 54.13 C ATOM 0 H THR A1006 -6.439 9.355 -8.311 1.00 34.51 H new ATOM 0 HA THR A1006 -3.642 9.246 -8.914 1.00 23.33 H new ATOM 0 HB THR A1006 -3.810 11.749 -9.013 1.00 43.14 H new ATOM 0 HG1 THR A1006 -6.633 11.337 -8.625 1.00 24.02 H new ATOM 0 HG21 THR A1006 -5.266 11.832 -11.013 1.00 54.13 H new ATOM 0 HG22 THR A1006 -4.192 10.413 -11.031 1.00 54.13 H new ATOM 0 HG23 THR A1006 -5.910 10.224 -10.605 1.00 54.13 H new ATOM 1921 N ARG A1007 -4.643 10.453 -5.954 1.00 40.01 N ATOM 1922 CA ARG A1007 -4.266 10.661 -4.537 1.00 42.13 C ATOM 1923 C ARG A1007 -3.681 9.362 -3.936 1.00 63.10 C ATOM 1924 O ARG A1007 -2.756 9.398 -3.112 1.00 33.34 O ATOM 1925 CB ARG A1007 -5.502 11.106 -3.707 1.00 55.03 C ATOM 1926 CG ARG A1007 -5.218 11.326 -2.198 1.00 20.14 C ATOM 1927 CD ARG A1007 -6.469 11.740 -1.403 1.00 22.45 C ATOM 1928 NE ARG A1007 -6.149 11.961 0.021 1.00 22.11 N ATOM 1929 CZ ARG A1007 -5.982 13.164 0.600 1.00 74.40 C ATOM 1930 NH1 ARG A1007 -6.102 14.289 -0.102 1.00 71.14 N ATOM 1931 NH2 ARG A1007 -5.691 13.232 1.885 1.00 34.43 N ATOM 0 H ARG A1007 -5.633 10.613 -6.138 1.00 40.01 H new ATOM 0 HA ARG A1007 -3.509 11.444 -4.499 1.00 42.13 H new ATOM 0 HB2 ARG A1007 -5.893 12.032 -4.129 1.00 55.03 H new ATOM 0 HB3 ARG A1007 -6.284 10.353 -3.811 1.00 55.03 H new ATOM 0 HG2 ARG A1007 -4.812 10.408 -1.773 1.00 20.14 H new ATOM 0 HG3 ARG A1007 -4.453 12.094 -2.086 1.00 20.14 H new ATOM 0 HD2 ARG A1007 -6.889 12.651 -1.829 1.00 22.45 H new ATOM 0 HD3 ARG A1007 -7.231 10.966 -1.491 1.00 22.45 H new ATOM 0 HE ARG A1007 -6.046 11.137 0.613 1.00 22.11 H new ATOM 0 HH11 ARG A1007 -6.324 14.248 -1.097 1.00 71.14 H new ATOM 0 HH12 ARG A1007 -5.972 15.192 0.355 1.00 71.14 H new ATOM 0 HH21 ARG A1007 -5.594 12.377 2.432 1.00 34.43 H new ATOM 0 HH22 ARG A1007 -5.563 14.140 2.332 1.00 34.43 H new ATOM 1945 N TRP A1008 -4.239 8.234 -4.394 1.00 12.34 N ATOM 1946 CA TRP A1008 -3.840 6.884 -3.997 1.00 51.10 C ATOM 1947 C TRP A1008 -2.414 6.596 -4.489 1.00 60.12 C ATOM 1948 O TRP A1008 -1.587 6.218 -3.678 1.00 1.32 O ATOM 1949 CB TRP A1008 -4.911 5.866 -4.522 1.00 2.23 C ATOM 1950 CG TRP A1008 -4.461 4.467 -4.858 1.00 63.23 C ATOM 1951 CD1 TRP A1008 -3.933 4.049 -6.045 1.00 64.14 C ATOM 1952 CD2 TRP A1008 -4.579 3.292 -4.050 1.00 51.32 C ATOM 1953 NE1 TRP A1008 -3.663 2.718 -5.997 1.00 61.22 N ATOM 1954 CE2 TRP A1008 -4.065 2.223 -4.800 1.00 53.51 C ATOM 1955 CE3 TRP A1008 -5.041 3.053 -2.765 1.00 63.30 C ATOM 1956 CZ2 TRP A1008 -4.011 0.930 -4.311 1.00 25.22 C ATOM 1957 CZ3 TRP A1008 -5.006 1.769 -2.280 1.00 21.23 C ATOM 1958 CH2 TRP A1008 -4.492 0.719 -3.053 1.00 52.50 C ATOM 0 H TRP A1008 -5.002 8.239 -5.070 1.00 12.34 H new ATOM 0 HA TRP A1008 -3.808 6.783 -2.912 1.00 51.10 H new ATOM 0 HB2 TRP A1008 -5.696 5.791 -3.769 1.00 2.23 H new ATOM 0 HB3 TRP A1008 -5.366 6.293 -5.416 1.00 2.23 H new ATOM 0 HD1 TRP A1008 -3.755 4.685 -6.900 1.00 64.14 H new ATOM 0 HE1 TRP A1008 -3.227 2.177 -6.743 1.00 61.22 H new ATOM 0 HE3 TRP A1008 -5.421 3.861 -2.157 1.00 63.30 H new ATOM 0 HZ2 TRP A1008 -3.605 0.122 -4.901 1.00 25.22 H new ATOM 0 HZ3 TRP A1008 -5.380 1.565 -1.288 1.00 21.23 H new ATOM 0 HH2 TRP A1008 -4.477 -0.280 -2.643 1.00 52.50 H new ATOM 1969 N LEU A1009 -2.112 6.877 -5.791 1.00 53.14 N ATOM 1970 CA LEU A1009 -0.784 6.561 -6.401 1.00 31.41 C ATOM 1971 C LEU A1009 0.295 7.457 -5.773 1.00 31.53 C ATOM 1972 O LEU A1009 1.449 7.045 -5.600 1.00 43.21 O ATOM 1973 CB LEU A1009 -0.783 6.739 -7.953 1.00 24.32 C ATOM 1974 CG LEU A1009 -1.711 5.785 -8.776 1.00 0.15 C ATOM 1975 CD1 LEU A1009 -1.621 6.083 -10.283 1.00 2.25 C ATOM 1976 CD2 LEU A1009 -1.417 4.301 -8.499 1.00 4.24 C ATOM 0 H LEU A1009 -2.767 7.320 -6.435 1.00 53.14 H new ATOM 0 HA LEU A1009 -0.570 5.512 -6.197 1.00 31.41 H new ATOM 0 HB2 LEU A1009 -1.069 7.767 -8.177 1.00 24.32 H new ATOM 0 HB3 LEU A1009 0.239 6.608 -8.309 1.00 24.32 H new ATOM 0 HG LEU A1009 -2.731 5.981 -8.445 1.00 0.15 H new ATOM 0 HD11 LEU A1009 -2.277 5.404 -10.828 1.00 2.25 H new ATOM 0 HD12 LEU A1009 -1.928 7.112 -10.469 1.00 2.25 H new ATOM 0 HD13 LEU A1009 -0.594 5.944 -10.621 1.00 2.25 H new ATOM 0 HD21 LEU A1009 -2.087 3.680 -9.094 1.00 4.24 H new ATOM 0 HD22 LEU A1009 -0.384 4.079 -8.766 1.00 4.24 H new ATOM 0 HD23 LEU A1009 -1.572 4.091 -7.441 1.00 4.24 H new ATOM 1988 N THR A1010 -0.138 8.683 -5.432 1.00 3.25 N ATOM 1989 CA THR A1010 0.652 9.661 -4.694 1.00 40.20 C ATOM 1990 C THR A1010 1.031 9.099 -3.310 1.00 0.21 C ATOM 1991 O THR A1010 2.206 9.053 -2.963 1.00 63.24 O ATOM 1992 CB THR A1010 -0.157 10.995 -4.542 1.00 3.31 C ATOM 1993 OG1 THR A1010 -0.463 11.526 -5.835 1.00 25.32 O ATOM 1994 CG2 THR A1010 0.589 12.050 -3.724 1.00 13.23 C ATOM 0 H THR A1010 -1.070 9.021 -5.671 1.00 3.25 H new ATOM 0 HA THR A1010 1.569 9.869 -5.246 1.00 40.20 H new ATOM 0 HB THR A1010 -1.072 10.752 -4.002 1.00 3.31 H new ATOM 0 HG1 THR A1010 -1.191 11.008 -6.237 1.00 25.32 H new ATOM 0 HG21 THR A1010 -0.019 12.952 -3.652 1.00 13.23 H new ATOM 0 HG22 THR A1010 0.785 11.664 -2.724 1.00 13.23 H new ATOM 0 HG23 THR A1010 1.534 12.288 -4.212 1.00 13.23 H new ATOM 2002 N ALA A1011 0.015 8.603 -2.571 1.00 4.32 N ATOM 2003 CA ALA A1011 0.185 8.056 -1.216 1.00 55.52 C ATOM 2004 C ALA A1011 0.993 6.743 -1.250 1.00 60.32 C ATOM 2005 O ALA A1011 1.709 6.440 -0.298 1.00 23.24 O ATOM 2006 CB ALA A1011 -1.189 7.851 -0.550 1.00 74.11 C ATOM 0 H ALA A1011 -0.949 8.573 -2.903 1.00 4.32 H new ATOM 0 HA ALA A1011 0.750 8.772 -0.619 1.00 55.52 H new ATOM 0 HB1 ALA A1011 -1.051 7.446 0.452 1.00 74.11 H new ATOM 0 HB2 ALA A1011 -1.709 8.807 -0.486 1.00 74.11 H new ATOM 0 HB3 ALA A1011 -1.781 7.155 -1.144 1.00 74.11 H new ATOM 2012 N LEU A1012 0.890 5.993 -2.375 1.00 1.43 N ATOM 2013 CA LEU A1012 1.678 4.763 -2.593 1.00 11.22 C ATOM 2014 C LEU A1012 3.164 5.128 -2.720 1.00 71.32 C ATOM 2015 O LEU A1012 4.030 4.476 -2.144 1.00 45.44 O ATOM 2016 CB LEU A1012 1.243 3.992 -3.881 1.00 2.15 C ATOM 2017 CG LEU A1012 -0.238 3.501 -3.988 1.00 3.31 C ATOM 2018 CD1 LEU A1012 -0.409 2.482 -5.137 1.00 22.01 C ATOM 2019 CD2 LEU A1012 -0.784 2.954 -2.651 1.00 45.12 C ATOM 0 H LEU A1012 0.264 6.224 -3.147 1.00 1.43 H new ATOM 0 HA LEU A1012 1.502 4.112 -1.737 1.00 11.22 H new ATOM 0 HB2 LEU A1012 1.442 4.637 -4.737 1.00 2.15 H new ATOM 0 HB3 LEU A1012 1.890 3.121 -3.981 1.00 2.15 H new ATOM 0 HG LEU A1012 -0.842 4.376 -4.226 1.00 3.31 H new ATOM 0 HD11 LEU A1012 -1.449 2.160 -5.186 1.00 22.01 H new ATOM 0 HD12 LEU A1012 -0.129 2.948 -6.082 1.00 22.01 H new ATOM 0 HD13 LEU A1012 0.230 1.618 -4.955 1.00 22.01 H new ATOM 0 HD21 LEU A1012 -1.815 2.628 -2.785 1.00 45.12 H new ATOM 0 HD22 LEU A1012 -0.176 2.109 -2.328 1.00 45.12 H new ATOM 0 HD23 LEU A1012 -0.747 3.738 -1.895 1.00 45.12 H new ATOM 2031 N ASP A1013 3.422 6.201 -3.492 1.00 3.32 N ATOM 2032 CA ASP A1013 4.780 6.651 -3.824 1.00 23.23 C ATOM 2033 C ASP A1013 5.471 7.298 -2.611 1.00 71.42 C ATOM 2034 O ASP A1013 6.661 7.066 -2.381 1.00 30.25 O ATOM 2035 CB ASP A1013 4.736 7.638 -5.022 1.00 21.50 C ATOM 2036 CG ASP A1013 6.135 7.967 -5.566 1.00 33.34 C ATOM 2037 OD1 ASP A1013 6.647 7.186 -6.398 1.00 30.53 O ATOM 2038 OD2 ASP A1013 6.742 8.973 -5.133 1.00 35.45 O ATOM 0 H ASP A1013 2.689 6.780 -3.903 1.00 3.32 H new ATOM 0 HA ASP A1013 5.367 5.777 -4.107 1.00 23.23 H new ATOM 0 HB2 ASP A1013 4.131 7.208 -5.820 1.00 21.50 H new ATOM 0 HB3 ASP A1013 4.245 8.560 -4.711 1.00 21.50 H new ATOM 2043 N ASN A1014 4.710 8.107 -1.845 1.00 34.25 N ATOM 2044 CA ASN A1014 5.227 8.803 -0.651 1.00 22.42 C ATOM 2045 C ASN A1014 5.455 7.811 0.493 1.00 21.12 C ATOM 2046 O ASN A1014 6.400 7.979 1.276 1.00 4.33 O ATOM 2047 CB ASN A1014 4.289 9.960 -0.211 1.00 4.25 C ATOM 2048 CG ASN A1014 4.345 11.159 -1.169 1.00 40.23 C ATOM 2049 OD1 ASN A1014 5.294 12.061 -0.958 1.00 33.42 O flip ATOM 2050 ND2 ASN A1014 3.562 11.261 -2.110 1.00 23.33 N flip ATOM 0 H ASN A1014 3.726 8.295 -2.036 1.00 34.25 H new ATOM 0 HA ASN A1014 6.186 9.249 -0.914 1.00 22.42 H new ATOM 0 HB2 ASN A1014 3.265 9.592 -0.155 1.00 4.25 H new ATOM 0 HB3 ASN A1014 4.566 10.287 0.791 1.00 4.25 H new ATOM 0 HD21 ASN A1014 2.840 10.554 -2.252 1.00 23.33 H new ATOM 0 HD22 ASN A1014 3.634 12.052 -2.750 1.00 23.33 H new ATOM 2057 N PHE A1015 4.593 6.765 0.568 1.00 62.00 N ATOM 2058 CA PHE A1015 4.800 5.628 1.472 1.00 41.11 C ATOM 2059 C PHE A1015 6.120 4.947 1.120 1.00 1.33 C ATOM 2060 O PHE A1015 7.012 4.930 1.951 1.00 3.35 O ATOM 2061 CB PHE A1015 3.616 4.628 1.390 1.00 54.23 C ATOM 2062 CG PHE A1015 3.871 3.237 1.990 1.00 73.30 C ATOM 2063 CD1 PHE A1015 3.879 2.118 1.176 1.00 32.32 C ATOM 2064 CD2 PHE A1015 4.088 3.057 3.352 1.00 22.21 C ATOM 2065 CE1 PHE A1015 4.084 0.862 1.687 1.00 1.04 C ATOM 2066 CE2 PHE A1015 4.300 1.792 3.872 1.00 25.41 C ATOM 2067 CZ PHE A1015 4.295 0.696 3.033 1.00 15.45 C ATOM 0 H PHE A1015 3.745 6.695 0.005 1.00 62.00 H new ATOM 0 HA PHE A1015 4.845 5.989 2.500 1.00 41.11 H new ATOM 0 HB2 PHE A1015 2.757 5.069 1.896 1.00 54.23 H new ATOM 0 HB3 PHE A1015 3.340 4.506 0.342 1.00 54.23 H new ATOM 0 HD1 PHE A1015 3.720 2.236 0.114 1.00 32.32 H new ATOM 0 HD2 PHE A1015 4.091 3.913 4.010 1.00 22.21 H new ATOM 0 HE1 PHE A1015 4.079 0.004 1.031 1.00 1.04 H new ATOM 0 HE2 PHE A1015 4.469 1.663 4.931 1.00 25.41 H new ATOM 0 HZ PHE A1015 4.457 -0.293 3.436 1.00 15.45 H new ATOM 2077 N GLU A1016 6.222 4.446 -0.134 1.00 75.44 N ATOM 2078 CA GLU A1016 7.406 3.728 -0.646 1.00 24.33 C ATOM 2079 C GLU A1016 8.710 4.503 -0.386 1.00 33.50 C ATOM 2080 O GLU A1016 9.696 3.913 0.068 1.00 40.45 O ATOM 2081 CB GLU A1016 7.244 3.416 -2.158 1.00 43.11 C ATOM 2082 CG GLU A1016 8.449 2.657 -2.780 1.00 23.24 C ATOM 2083 CD GLU A1016 8.264 2.247 -4.248 1.00 1.22 C ATOM 2084 OE1 GLU A1016 7.681 3.029 -5.019 1.00 14.03 O ATOM 2085 OE2 GLU A1016 8.758 1.167 -4.651 1.00 35.10 O ATOM 0 H GLU A1016 5.475 4.532 -0.823 1.00 75.44 H new ATOM 0 HA GLU A1016 7.476 2.787 -0.100 1.00 24.33 H new ATOM 0 HB2 GLU A1016 6.341 2.822 -2.301 1.00 43.11 H new ATOM 0 HB3 GLU A1016 7.099 4.352 -2.698 1.00 43.11 H new ATOM 0 HG2 GLU A1016 9.336 3.286 -2.702 1.00 23.24 H new ATOM 0 HG3 GLU A1016 8.641 1.762 -2.189 1.00 23.24 H new ATOM 2092 N ALA A1017 8.677 5.828 -0.631 1.00 63.13 N ATOM 2093 CA ALA A1017 9.833 6.711 -0.420 1.00 13.23 C ATOM 2094 C ALA A1017 10.231 6.739 1.061 1.00 3.31 C ATOM 2095 O ALA A1017 11.314 6.282 1.416 1.00 40.45 O ATOM 2096 CB ALA A1017 9.520 8.130 -0.926 1.00 45.22 C ATOM 0 H ALA A1017 7.849 6.311 -0.980 1.00 63.13 H new ATOM 0 HA ALA A1017 10.676 6.319 -0.989 1.00 13.23 H new ATOM 0 HB1 ALA A1017 10.385 8.773 -0.763 1.00 45.22 H new ATOM 0 HB2 ALA A1017 9.290 8.094 -1.991 1.00 45.22 H new ATOM 0 HB3 ALA A1017 8.664 8.529 -0.383 1.00 45.22 H new ATOM 2102 N LYS A1018 9.299 7.208 1.915 1.00 23.14 N ATOM 2103 CA LYS A1018 9.532 7.406 3.366 1.00 22.44 C ATOM 2104 C LYS A1018 9.858 6.089 4.097 1.00 10.31 C ATOM 2105 O LYS A1018 10.701 6.060 5.008 1.00 33.20 O ATOM 2106 CB LYS A1018 8.290 8.110 3.995 1.00 21.34 C ATOM 2107 CG LYS A1018 8.265 9.652 3.806 1.00 21.52 C ATOM 2108 CD LYS A1018 9.163 10.409 4.833 1.00 3.41 C ATOM 2109 CE LYS A1018 8.435 10.743 6.157 1.00 61.44 C ATOM 2110 NZ LYS A1018 7.735 9.576 6.773 1.00 74.31 N ATOM 0 H LYS A1018 8.357 7.463 1.619 1.00 23.14 H new ATOM 0 HA LYS A1018 10.410 8.041 3.486 1.00 22.44 H new ATOM 0 HB2 LYS A1018 7.386 7.687 3.556 1.00 21.34 H new ATOM 0 HB3 LYS A1018 8.261 7.886 5.061 1.00 21.34 H new ATOM 0 HG2 LYS A1018 8.596 9.894 2.796 1.00 21.52 H new ATOM 0 HG3 LYS A1018 7.239 10.007 3.899 1.00 21.52 H new ATOM 0 HD2 LYS A1018 10.041 9.802 5.053 1.00 3.41 H new ATOM 0 HD3 LYS A1018 9.520 11.334 4.380 1.00 3.41 H new ATOM 0 HE2 LYS A1018 9.160 11.137 6.869 1.00 61.44 H new ATOM 0 HE3 LYS A1018 7.708 11.534 5.971 1.00 61.44 H new ATOM 0 HZ1 LYS A1018 7.314 9.863 7.680 1.00 74.31 H new ATOM 0 HZ2 LYS A1018 6.986 9.243 6.133 1.00 74.31 H new ATOM 0 HZ3 LYS A1018 8.417 8.808 6.935 1.00 74.31 H new ATOM 2124 N MET A1019 9.218 4.997 3.675 1.00 63.42 N ATOM 2125 CA MET A1019 9.372 3.701 4.336 1.00 22.11 C ATOM 2126 C MET A1019 10.684 3.026 3.885 1.00 2.35 C ATOM 2127 O MET A1019 11.257 2.221 4.622 1.00 75.22 O ATOM 2128 CB MET A1019 8.143 2.785 4.112 1.00 63.31 C ATOM 2129 CG MET A1019 8.044 2.097 2.728 1.00 53.30 C ATOM 2130 SD MET A1019 7.563 0.374 2.876 1.00 4.13 S ATOM 2131 CE MET A1019 8.852 -0.204 3.969 1.00 71.20 C ATOM 0 H MET A1019 8.586 4.985 2.875 1.00 63.42 H new ATOM 0 HA MET A1019 9.430 3.874 5.411 1.00 22.11 H new ATOM 0 HB2 MET A1019 8.149 2.011 4.879 1.00 63.31 H new ATOM 0 HB3 MET A1019 7.242 3.378 4.265 1.00 63.31 H new ATOM 0 HG2 MET A1019 7.318 2.626 2.110 1.00 53.30 H new ATOM 0 HG3 MET A1019 9.005 2.164 2.219 1.00 53.30 H new ATOM 0 HE1 MET A1019 8.806 -1.290 4.044 1.00 71.20 H new ATOM 0 HE2 MET A1019 9.824 0.091 3.574 1.00 71.20 H new ATOM 0 HE3 MET A1019 8.714 0.234 4.958 1.00 71.20 H new ATOM 2141 N ALA A1020 11.147 3.353 2.661 1.00 3.13 N ATOM 2142 CA ALA A1020 12.506 3.001 2.212 1.00 0.12 C ATOM 2143 C ALA A1020 13.557 3.879 2.922 1.00 70.43 C ATOM 2144 O ALA A1020 14.714 3.467 3.073 1.00 43.35 O ATOM 2145 CB ALA A1020 12.630 3.132 0.681 1.00 30.51 C ATOM 0 H ALA A1020 10.598 3.860 1.967 1.00 3.13 H new ATOM 0 HA ALA A1020 12.693 1.961 2.478 1.00 0.12 H new ATOM 0 HB1 ALA A1020 13.642 2.867 0.374 1.00 30.51 H new ATOM 0 HB2 ALA A1020 11.917 2.462 0.200 1.00 30.51 H new ATOM 0 HB3 ALA A1020 12.419 4.160 0.385 1.00 30.51 H new ATOM 2151 N LEU A1021 13.142 5.101 3.337 1.00 43.14 N ATOM 2152 CA LEU A1021 13.995 6.030 4.114 1.00 65.53 C ATOM 2153 C LEU A1021 14.111 5.598 5.593 1.00 12.11 C ATOM 2154 O LEU A1021 15.015 6.077 6.287 1.00 62.31 O ATOM 2155 CB LEU A1021 13.459 7.493 4.029 1.00 51.12 C ATOM 2156 CG LEU A1021 13.511 8.185 2.629 1.00 55.12 C ATOM 2157 CD1 LEU A1021 12.848 9.580 2.662 1.00 70.24 C ATOM 2158 CD2 LEU A1021 14.957 8.266 2.098 1.00 42.11 C ATOM 0 H LEU A1021 12.210 5.468 3.143 1.00 43.14 H new ATOM 0 HA LEU A1021 14.989 5.994 3.669 1.00 65.53 H new ATOM 0 HB2 LEU A1021 12.424 7.495 4.370 1.00 51.12 H new ATOM 0 HB3 LEU A1021 14.027 8.104 4.731 1.00 51.12 H new ATOM 0 HG LEU A1021 12.938 7.567 1.938 1.00 55.12 H new ATOM 0 HD11 LEU A1021 12.902 10.032 1.672 1.00 70.24 H new ATOM 0 HD12 LEU A1021 11.804 9.480 2.958 1.00 70.24 H new ATOM 0 HD13 LEU A1021 13.369 10.214 3.379 1.00 70.24 H new ATOM 0 HD21 LEU A1021 14.960 8.752 1.123 1.00 42.11 H new ATOM 0 HD22 LEU A1021 15.568 8.843 2.793 1.00 42.11 H new ATOM 0 HD23 LEU A1021 15.367 7.260 2.003 1.00 42.11 H new ATOM 2170 N LEU A1022 13.159 4.755 6.083 1.00 20.40 N ATOM 2171 CA LEU A1022 13.285 4.085 7.412 1.00 70.32 C ATOM 2172 C LEU A1022 14.662 3.366 7.533 1.00 4.13 C ATOM 2173 O LEU A1022 14.877 2.355 6.859 1.00 45.01 O ATOM 2174 CB LEU A1022 12.140 3.044 7.645 1.00 70.14 C ATOM 2175 CG LEU A1022 10.690 3.607 7.814 1.00 53.30 C ATOM 2176 CD1 LEU A1022 9.643 2.467 7.899 1.00 73.44 C ATOM 2177 CD2 LEU A1022 10.586 4.530 9.041 1.00 5.12 C ATOM 0 H LEU A1022 12.301 4.524 5.582 1.00 20.40 H new ATOM 0 HA LEU A1022 13.207 4.862 8.172 1.00 70.32 H new ATOM 0 HB2 LEU A1022 12.138 2.350 6.805 1.00 70.14 H new ATOM 0 HB3 LEU A1022 12.385 2.466 8.536 1.00 70.14 H new ATOM 0 HG LEU A1022 10.471 4.199 6.925 1.00 53.30 H new ATOM 0 HD11 LEU A1022 8.648 2.895 8.016 1.00 73.44 H new ATOM 0 HD12 LEU A1022 9.677 1.873 6.986 1.00 73.44 H new ATOM 0 HD13 LEU A1022 9.867 1.830 8.755 1.00 73.44 H new ATOM 0 HD21 LEU A1022 9.566 4.904 9.130 1.00 5.12 H new ATOM 0 HD22 LEU A1022 10.847 3.971 9.940 1.00 5.12 H new ATOM 0 HD23 LEU A1022 11.271 5.369 8.924 1.00 5.12 H new