USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1060 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 42 THR OG1 : rot -81:sc= 0.41 USER MOD Set 1.2: A 82 HIS :FLIP no HD1:sc= 0.302 F(o=-0.18,f=0.69) USER MOD Set 1.3: A 132 THR OG1 : rot 50:sc= -0.0174 USER MOD Set 2.1: A 64 HIS :FLIP no HD1:sc= -1.09 F(o=-10!,f=-8.3) USER MOD Set 2.2: A 65 ASN :FLIP amide:sc= -7.18! C(o=-8.3!,f=-8.3!) USER MOD Set 3.1: A 46 THR OG1 : rot 160:sc= -1.2 USER MOD Set 3.2: A 47 THR OG1 : rot 42:sc= 0.84 USER MOD Set 3.3: A 50 ASN :FLIP amide:sc= 0.533 F(o=-4.2!,f=0.17) USER MOD Set 4.1: A 27 MET CE :methyl -122:sc= -1.73 (180deg=-1.85) USER MOD Set 4.2: A 31 ASN : amide:sc= -0.777! X(o=-9.7!,f=-9.4) USER MOD Set 4.3: A 41 ASN : amide:sc= -8.26! C(o=-9.7!,f=-15!) USER MOD Set 4.4: A 98 TYR OH : rot 132:sc= 1.03 USER MOD Set 5.1: A 14 GLN :FLIP amide:sc= -6.38! C(o=-7.3!,f=-6.9!) USER MOD Set 5.2: A 15 HIS :FLIP no HD1:sc= -0.551 F(o=-12!,f=-6.9) USER MOD Single : A 4 GLN : amide:sc=-0.00708 X(o=-0.0071,f=0) USER MOD Single : A 6 THR OG1 : rot -109:sc= -1.76! USER MOD Single : A 9 GLN :FLIP amide:sc= -1.48 F(o=-5.6!,f=-1.5) USER MOD Single : A 17 SER OG : rot -160:sc= -0.253 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.904 F(o=-2.2!,f=-0.9) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 33 TYR OH : rot 50:sc= -0.468 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.2) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 57 ASN : amide:sc= -1.88! X(o=-1.9!,f=-1.5) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.512 K(o=-0.51,f=-2.1!) USER MOD Single : A 70 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.1) USER MOD Single : A 72 HIS : +bothHN:sc= -15.5! C(o=-15!,f=-15!) USER MOD Single : A 74 SER OG : rot 100:sc= -1.49 USER MOD Single : A 87 ASN : amide:sc= -10.6! C(o=-11!,f=-12!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.062) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= -2.45! USER MOD Single : A 113 ASN : amide:sc= -1.15 K(o=-1.2,f=-6.5!) USER MOD Single : A 119 SER OG : rot -126:sc= -0.342 USER MOD Single : A 122 TYR OH : rot 180:sc= 0.0651 USER MOD Single : A 128 HIS : no HE2:sc= -5.45! C(o=-5.5!,f=-5.4!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0354 USER MOD ----------------------------------------------------------------- ATOM 25 N PRO A 2 7.360 -11.394 -3.113 1.00 74.13 N ATOM 26 CA PRO A 2 7.746 -12.652 -3.758 1.00 70.54 C ATOM 27 C PRO A 2 8.868 -12.463 -4.775 1.00 74.11 C ATOM 28 O PRO A 2 9.231 -11.342 -5.131 1.00 42.13 O ATOM 29 CB PRO A 2 6.460 -13.101 -4.458 1.00 63.11 C ATOM 30 CG PRO A 2 5.696 -11.844 -4.691 1.00 3.53 C ATOM 31 CD PRO A 2 6.022 -10.941 -3.533 1.00 42.11 C ATOM 0 HA PRO A 2 8.132 -13.376 -3.040 1.00 70.54 H new ATOM 0 HB2 PRO A 2 6.678 -13.611 -5.396 1.00 63.11 H new ATOM 0 HB3 PRO A 2 5.895 -13.798 -3.839 1.00 63.11 H new ATOM 0 HG2 PRO A 2 5.981 -11.384 -5.637 1.00 3.53 H new ATOM 0 HG3 PRO A 2 4.625 -12.042 -4.742 1.00 3.53 H new ATOM 0 HD2 PRO A 2 6.028 -9.892 -3.830 1.00 42.11 H new ATOM 0 HD3 PRO A 2 5.293 -11.040 -2.729 1.00 42.11 H new ATOM 39 N PRO A 3 9.429 -13.582 -5.253 1.00 62.21 N ATOM 40 CA PRO A 3 10.517 -13.565 -6.235 1.00 41.25 C ATOM 41 C PRO A 3 10.050 -13.096 -7.609 1.00 31.10 C ATOM 42 O PRO A 3 10.863 -12.750 -8.466 1.00 54.10 O ATOM 43 CB PRO A 3 10.966 -15.028 -6.294 1.00 52.23 C ATOM 44 CG PRO A 3 9.767 -15.808 -5.876 1.00 3.22 C ATOM 45 CD PRO A 3 9.046 -14.952 -4.872 1.00 21.22 C ATOM 0 HA PRO A 3 11.310 -12.873 -5.952 1.00 41.25 H new ATOM 0 HB2 PRO A 3 11.287 -15.304 -7.298 1.00 52.23 H new ATOM 0 HB3 PRO A 3 11.809 -15.211 -5.628 1.00 52.23 H new ATOM 0 HG2 PRO A 3 9.128 -16.029 -6.731 1.00 3.22 H new ATOM 0 HG3 PRO A 3 10.056 -16.763 -5.438 1.00 3.22 H new ATOM 0 HD2 PRO A 3 7.967 -15.096 -4.923 1.00 21.22 H new ATOM 0 HD3 PRO A 3 9.351 -15.186 -3.852 1.00 21.22 H new ATOM 53 N GLN A 4 8.736 -13.087 -7.811 1.00 44.10 N ATOM 54 CA GLN A 4 8.162 -12.660 -9.082 1.00 32.32 C ATOM 55 C GLN A 4 7.803 -11.178 -9.047 1.00 24.23 C ATOM 56 O GLN A 4 7.427 -10.596 -10.064 1.00 41.42 O ATOM 57 CB GLN A 4 6.919 -13.490 -9.408 1.00 73.22 C ATOM 58 CG GLN A 4 7.174 -14.989 -9.422 1.00 52.00 C ATOM 59 CD GLN A 4 5.952 -15.792 -9.025 1.00 31.40 C ATOM 60 OE1 GLN A 4 6.029 -16.683 -8.177 1.00 11.22 O ATOM 61 NE2 GLN A 4 4.814 -15.483 -9.637 1.00 5.41 N ATOM 0 H GLN A 4 8.050 -13.370 -7.112 1.00 44.10 H new ATOM 0 HA GLN A 4 8.909 -12.816 -9.860 1.00 32.32 H new ATOM 0 HB2 GLN A 4 6.142 -13.269 -8.676 1.00 73.22 H new ATOM 0 HB3 GLN A 4 6.535 -13.186 -10.382 1.00 73.22 H new ATOM 0 HG2 GLN A 4 7.494 -15.290 -10.420 1.00 52.00 H new ATOM 0 HG3 GLN A 4 7.993 -15.221 -8.741 1.00 52.00 H new ATOM 0 HE21 GLN A 4 4.795 -14.738 -10.333 1.00 5.41 H new ATOM 0 HE22 GLN A 4 3.959 -15.991 -9.411 1.00 5.41 H new ATOM 70 N PHE A 5 7.922 -10.574 -7.869 1.00 72.43 N ATOM 71 CA PHE A 5 7.609 -9.160 -7.702 1.00 50.22 C ATOM 72 C PHE A 5 8.676 -8.462 -6.862 1.00 72.03 C ATOM 73 O PHE A 5 9.361 -9.094 -6.057 1.00 32.22 O ATOM 74 CB PHE A 5 6.237 -8.993 -7.044 1.00 62.31 C ATOM 75 CG PHE A 5 5.118 -9.614 -7.830 1.00 54.11 C ATOM 76 CD1 PHE A 5 5.097 -9.536 -9.214 1.00 3.24 C ATOM 77 CD2 PHE A 5 4.085 -10.274 -7.184 1.00 73.44 C ATOM 78 CE1 PHE A 5 4.068 -10.105 -9.938 1.00 30.11 C ATOM 79 CE2 PHE A 5 3.052 -10.846 -7.905 1.00 11.33 C ATOM 80 CZ PHE A 5 3.044 -10.761 -9.283 1.00 25.14 C ATOM 0 H PHE A 5 8.233 -11.041 -7.017 1.00 72.43 H new ATOM 0 HA PHE A 5 7.589 -8.699 -8.690 1.00 50.22 H new ATOM 0 HB2 PHE A 5 6.263 -9.438 -6.049 1.00 62.31 H new ATOM 0 HB3 PHE A 5 6.032 -7.930 -6.912 1.00 62.31 H new ATOM 0 HD1 PHE A 5 5.895 -9.024 -9.732 1.00 3.24 H new ATOM 0 HD2 PHE A 5 4.086 -10.343 -6.106 1.00 73.44 H new ATOM 0 HE1 PHE A 5 4.064 -10.037 -11.016 1.00 30.11 H new ATOM 0 HE2 PHE A 5 2.253 -11.358 -7.390 1.00 11.33 H new ATOM 0 HZ PHE A 5 2.239 -11.207 -9.848 1.00 25.14 H new ATOM 90 N THR A 6 8.812 -7.155 -7.057 1.00 42.32 N ATOM 91 CA THR A 6 9.795 -6.371 -6.320 1.00 45.52 C ATOM 92 C THR A 6 9.211 -5.842 -5.015 1.00 0.41 C ATOM 93 O THR A 6 8.078 -6.163 -4.656 1.00 1.31 O ATOM 94 CB THR A 6 10.310 -5.184 -7.158 1.00 15.13 C ATOM 95 OG1 THR A 6 9.244 -4.643 -7.946 1.00 72.43 O ATOM 96 CG2 THR A 6 11.451 -5.616 -8.065 1.00 70.45 C ATOM 0 H THR A 6 8.254 -6.616 -7.719 1.00 42.32 H new ATOM 0 HA THR A 6 10.628 -7.038 -6.097 1.00 45.52 H new ATOM 0 HB THR A 6 10.681 -4.419 -6.476 1.00 15.13 H new ATOM 0 HG1 THR A 6 9.395 -4.856 -8.891 1.00 72.43 H new ATOM 0 HG21 THR A 6 11.797 -4.761 -8.646 1.00 70.45 H new ATOM 0 HG22 THR A 6 12.272 -6.000 -7.459 1.00 70.45 H new ATOM 0 HG23 THR A 6 11.103 -6.397 -8.741 1.00 70.45 H new ATOM 104 N ARG A 7 9.991 -5.029 -4.310 1.00 4.23 N ATOM 105 CA ARG A 7 9.550 -4.456 -3.043 1.00 64.04 C ATOM 106 C ARG A 7 8.559 -3.321 -3.277 1.00 42.41 C ATOM 107 O ARG A 7 7.643 -3.111 -2.482 1.00 70.23 O ATOM 108 CB ARG A 7 10.752 -3.944 -2.246 1.00 72.31 C ATOM 109 CG ARG A 7 11.359 -4.987 -1.321 1.00 13.21 C ATOM 110 CD ARG A 7 11.984 -4.345 -0.092 1.00 32.03 C ATOM 111 NE ARG A 7 13.051 -5.167 0.470 1.00 43.51 N ATOM 112 CZ ARG A 7 13.472 -5.066 1.726 1.00 51.40 C ATOM 113 NH1 ARG A 7 12.916 -4.184 2.546 1.00 4.52 N ATOM 114 NH2 ARG A 7 14.450 -5.849 2.165 1.00 14.13 N ATOM 0 H ARG A 7 10.931 -4.752 -4.594 1.00 4.23 H new ATOM 0 HA ARG A 7 9.051 -5.238 -2.471 1.00 64.04 H new ATOM 0 HB2 ARG A 7 11.517 -3.598 -2.941 1.00 72.31 H new ATOM 0 HB3 ARG A 7 10.444 -3.081 -1.655 1.00 72.31 H new ATOM 0 HG2 ARG A 7 10.589 -5.693 -1.012 1.00 13.21 H new ATOM 0 HG3 ARG A 7 12.116 -5.557 -1.860 1.00 13.21 H new ATOM 0 HD2 ARG A 7 12.382 -3.366 -0.357 1.00 32.03 H new ATOM 0 HD3 ARG A 7 11.215 -4.183 0.663 1.00 32.03 H new ATOM 0 HE ARG A 7 13.498 -5.857 -0.134 1.00 43.51 H new ATOM 0 HH11 ARG A 7 12.163 -3.581 2.213 1.00 4.52 H new ATOM 0 HH12 ARG A 7 13.241 -4.108 3.510 1.00 4.52 H new ATOM 0 HH21 ARG A 7 14.879 -6.529 1.538 1.00 14.13 H new ATOM 0 HH22 ARG A 7 14.772 -5.770 3.130 1.00 14.13 H new ATOM 128 N ALA A 8 8.750 -2.590 -4.371 1.00 14.34 N ATOM 129 CA ALA A 8 7.873 -1.477 -4.709 1.00 14.12 C ATOM 130 C ALA A 8 6.689 -1.946 -5.550 1.00 5.02 C ATOM 131 O ALA A 8 5.541 -1.871 -5.116 1.00 54.34 O ATOM 132 CB ALA A 8 8.650 -0.396 -5.445 1.00 52.10 C ATOM 0 H ALA A 8 9.505 -2.749 -5.038 1.00 14.34 H new ATOM 0 HA ALA A 8 7.483 -1.060 -3.780 1.00 14.12 H new ATOM 0 HB1 ALA A 8 7.981 0.429 -5.691 1.00 52.10 H new ATOM 0 HB2 ALA A 8 9.457 -0.032 -4.810 1.00 52.10 H new ATOM 0 HB3 ALA A 8 9.069 -0.810 -6.362 1.00 52.10 H new ATOM 138 N GLN A 9 6.980 -2.429 -6.754 1.00 4.54 N ATOM 139 CA GLN A 9 5.939 -2.909 -7.655 1.00 3.11 C ATOM 140 C GLN A 9 4.963 -3.823 -6.921 1.00 61.03 C ATOM 141 O GLN A 9 3.795 -3.926 -7.295 1.00 24.33 O ATOM 142 CB GLN A 9 6.563 -3.652 -8.837 1.00 70.44 C ATOM 143 CG GLN A 9 6.693 -5.150 -8.614 1.00 73.21 C ATOM 144 CD GLN A 9 5.478 -5.919 -9.095 1.00 34.10 C ATOM 145 OE1 GLN A 9 4.728 -6.487 -8.158 1.00 11.24 O flip ATOM 146 NE2 GLN A 9 5.217 -6.003 -10.296 1.00 73.41 N flip ATOM 0 H GLN A 9 7.927 -2.498 -7.127 1.00 4.54 H new ATOM 0 HA GLN A 9 5.388 -2.045 -8.028 1.00 3.11 H new ATOM 0 HB2 GLN A 9 5.957 -3.477 -9.726 1.00 70.44 H new ATOM 0 HB3 GLN A 9 7.550 -3.236 -9.037 1.00 70.44 H new ATOM 0 HG2 GLN A 9 7.579 -5.515 -9.134 1.00 73.21 H new ATOM 0 HG3 GLN A 9 6.844 -5.344 -7.552 1.00 73.21 H new ATOM 0 HE21 GLN A 9 5.821 -5.551 -10.982 1.00 73.41 H new ATOM 0 HE22 GLN A 9 4.397 -6.525 -10.604 1.00 73.41 H new ATOM 155 N TRP A 10 5.451 -4.484 -5.878 1.00 31.02 N ATOM 156 CA TRP A 10 4.621 -5.391 -5.093 1.00 31.23 C ATOM 157 C TRP A 10 3.854 -4.632 -4.015 1.00 53.44 C ATOM 158 O TRP A 10 2.779 -5.055 -3.589 1.00 61.12 O ATOM 159 CB TRP A 10 5.483 -6.479 -4.452 1.00 4.53 C ATOM 160 CG TRP A 10 4.682 -7.568 -3.806 1.00 31.42 C ATOM 161 CD1 TRP A 10 4.820 -8.044 -2.533 1.00 4.50 C ATOM 162 CD2 TRP A 10 3.619 -8.320 -4.402 1.00 44.15 C ATOM 163 NE1 TRP A 10 3.908 -9.045 -2.302 1.00 21.20 N ATOM 164 CE2 TRP A 10 3.159 -9.233 -3.433 1.00 52.13 C ATOM 165 CE3 TRP A 10 3.010 -8.309 -5.661 1.00 5.33 C ATOM 166 CZ2 TRP A 10 2.120 -10.125 -3.685 1.00 72.13 C ATOM 167 CZ3 TRP A 10 1.980 -9.196 -5.909 1.00 10.23 C ATOM 168 CH2 TRP A 10 1.543 -10.093 -4.926 1.00 31.11 C ATOM 0 H TRP A 10 6.416 -4.409 -5.556 1.00 31.02 H new ATOM 0 HA TRP A 10 3.901 -5.857 -5.765 1.00 31.23 H new ATOM 0 HB2 TRP A 10 6.129 -6.916 -5.213 1.00 4.53 H new ATOM 0 HB3 TRP A 10 6.133 -6.024 -3.705 1.00 4.53 H new ATOM 0 HD1 TRP A 10 5.541 -7.686 -1.813 1.00 4.50 H new ATOM 0 HE1 TRP A 10 3.805 -9.564 -1.430 1.00 21.20 H new ATOM 0 HE3 TRP A 10 3.339 -7.620 -6.425 1.00 5.33 H new ATOM 0 HZ2 TRP A 10 1.781 -10.817 -2.928 1.00 72.13 H new ATOM 0 HZ3 TRP A 10 1.503 -9.198 -6.878 1.00 10.23 H new ATOM 0 HH2 TRP A 10 0.735 -10.773 -5.152 1.00 31.11 H new ATOM 179 N PHE A 11 4.413 -3.508 -3.577 1.00 25.21 N ATOM 180 CA PHE A 11 3.782 -2.691 -2.548 1.00 43.33 C ATOM 181 C PHE A 11 2.461 -2.112 -3.047 1.00 3.01 C ATOM 182 O PHE A 11 1.427 -2.247 -2.394 1.00 42.30 O ATOM 183 CB PHE A 11 4.720 -1.558 -2.121 1.00 34.43 C ATOM 184 CG PHE A 11 3.998 -0.337 -1.630 1.00 33.22 C ATOM 185 CD1 PHE A 11 3.467 0.577 -2.525 1.00 13.33 C ATOM 186 CD2 PHE A 11 3.849 -0.103 -0.272 1.00 33.31 C ATOM 187 CE1 PHE A 11 2.803 1.704 -2.075 1.00 60.43 C ATOM 188 CE2 PHE A 11 3.185 1.021 0.184 1.00 62.24 C ATOM 189 CZ PHE A 11 2.661 1.924 -0.719 1.00 53.24 C ATOM 0 H PHE A 11 5.302 -3.143 -3.919 1.00 25.21 H new ATOM 0 HA PHE A 11 3.577 -3.328 -1.688 1.00 43.33 H new ATOM 0 HB2 PHE A 11 5.381 -1.921 -1.334 1.00 34.43 H new ATOM 0 HB3 PHE A 11 5.352 -1.282 -2.965 1.00 34.43 H new ATOM 0 HD1 PHE A 11 3.573 0.408 -3.586 1.00 13.33 H new ATOM 0 HD2 PHE A 11 4.256 -0.807 0.439 1.00 33.31 H new ATOM 0 HE1 PHE A 11 2.396 2.411 -2.783 1.00 60.43 H new ATOM 0 HE2 PHE A 11 3.077 1.192 1.245 1.00 62.24 H new ATOM 0 HZ PHE A 11 2.140 2.802 -0.365 1.00 53.24 H new ATOM 199 N ALA A 12 2.506 -1.468 -4.209 1.00 13.14 N ATOM 200 CA ALA A 12 1.314 -0.870 -4.796 1.00 60.32 C ATOM 201 C ALA A 12 0.318 -1.941 -5.227 1.00 23.10 C ATOM 202 O ALA A 12 -0.887 -1.695 -5.285 1.00 5.14 O ATOM 203 CB ALA A 12 1.693 0.009 -5.979 1.00 75.05 C ATOM 0 H ALA A 12 3.355 -1.347 -4.762 1.00 13.14 H new ATOM 0 HA ALA A 12 0.836 -0.252 -4.037 1.00 60.32 H new ATOM 0 HB1 ALA A 12 0.793 0.449 -6.408 1.00 75.05 H new ATOM 0 HB2 ALA A 12 2.361 0.802 -5.644 1.00 75.05 H new ATOM 0 HB3 ALA A 12 2.197 -0.594 -6.734 1.00 75.05 H new ATOM 209 N ILE A 13 0.829 -3.130 -5.530 1.00 51.42 N ATOM 210 CA ILE A 13 -0.016 -4.239 -5.956 1.00 55.21 C ATOM 211 C ILE A 13 -1.192 -4.430 -5.004 1.00 43.43 C ATOM 212 O ILE A 13 -2.335 -4.574 -5.436 1.00 72.41 O ATOM 213 CB ILE A 13 0.782 -5.553 -6.041 1.00 35.44 C ATOM 214 CG1 ILE A 13 1.345 -5.744 -7.451 1.00 12.24 C ATOM 215 CG2 ILE A 13 -0.100 -6.732 -5.654 1.00 4.14 C ATOM 216 CD1 ILE A 13 0.474 -6.606 -8.338 1.00 50.45 C ATOM 0 H ILE A 13 1.824 -3.350 -5.488 1.00 51.42 H new ATOM 0 HA ILE A 13 -0.392 -3.988 -6.948 1.00 55.21 H new ATOM 0 HB ILE A 13 1.616 -5.501 -5.341 1.00 35.44 H new ATOM 0 HG12 ILE A 13 1.471 -4.767 -7.918 1.00 12.24 H new ATOM 0 HG13 ILE A 13 2.335 -6.194 -7.380 1.00 12.24 H new ATOM 0 HG21 ILE A 13 0.477 -7.655 -5.719 1.00 4.14 H new ATOM 0 HG22 ILE A 13 -0.458 -6.599 -4.633 1.00 4.14 H new ATOM 0 HG23 ILE A 13 -0.951 -6.788 -6.333 1.00 4.14 H new ATOM 0 HD11 ILE A 13 0.935 -6.698 -9.322 1.00 50.45 H new ATOM 0 HD12 ILE A 13 0.368 -7.595 -7.893 1.00 50.45 H new ATOM 0 HD13 ILE A 13 -0.509 -6.147 -8.440 1.00 50.45 H new ATOM 228 N GLN A 14 -0.902 -4.429 -3.707 1.00 33.20 N ATOM 229 CA GLN A 14 -1.937 -4.601 -2.694 1.00 64.32 C ATOM 230 C GLN A 14 -2.288 -3.269 -2.042 1.00 2.45 C ATOM 231 O GLN A 14 -3.376 -3.103 -1.490 1.00 14.24 O ATOM 232 CB GLN A 14 -1.476 -5.599 -1.630 1.00 51.41 C ATOM 233 CG GLN A 14 -0.505 -5.006 -0.620 1.00 33.22 C ATOM 234 CD GLN A 14 0.941 -5.149 -1.049 1.00 22.01 C ATOM 235 OE1 GLN A 14 1.324 -6.356 -1.450 1.00 13.34 O flip ATOM 236 NE2 GLN A 14 1.708 -4.186 -1.019 1.00 51.01 N flip ATOM 0 H GLN A 14 0.040 -4.311 -3.333 1.00 33.20 H new ATOM 0 HA GLN A 14 -2.830 -4.989 -3.184 1.00 64.32 H new ATOM 0 HB2 GLN A 14 -2.348 -5.983 -1.101 1.00 51.41 H new ATOM 0 HB3 GLN A 14 -1.002 -6.449 -2.122 1.00 51.41 H new ATOM 0 HG2 GLN A 14 -0.735 -3.950 -0.477 1.00 33.22 H new ATOM 0 HG3 GLN A 14 -0.644 -5.496 0.344 1.00 33.22 H new ATOM 0 HE21 GLN A 14 1.372 -3.276 -0.704 1.00 51.01 H new ATOM 0 HE22 GLN A 14 2.679 -4.298 -1.309 1.00 51.01 H new ATOM 245 N HIS A 15 -1.359 -2.320 -2.107 1.00 63.04 N ATOM 246 CA HIS A 15 -1.570 -1.000 -1.523 1.00 32.54 C ATOM 247 C HIS A 15 -2.187 -0.047 -2.542 1.00 24.41 C ATOM 248 O HIS A 15 -2.551 1.080 -2.209 1.00 15.23 O ATOM 249 CB HIS A 15 -0.249 -0.430 -1.008 1.00 43.31 C ATOM 250 CG HIS A 15 0.294 -1.157 0.185 1.00 75.01 C ATOM 251 ND1 HIS A 15 1.459 -1.821 0.363 1.00 74.52 N flip ATOM 252 CD2 HIS A 15 -0.389 -1.258 1.379 1.00 25.00 C flip ATOM 253 CE1 HIS A 15 1.460 -2.306 1.647 1.00 30.51 C flip ATOM 254 NE2 HIS A 15 0.334 -1.952 2.239 1.00 14.44 N flip ATOM 0 H HIS A 15 -0.452 -2.441 -2.559 1.00 63.04 H new ATOM 0 HA HIS A 15 -2.261 -1.106 -0.687 1.00 32.54 H new ATOM 0 HB2 HIS A 15 0.489 -0.463 -1.810 1.00 43.31 H new ATOM 0 HB3 HIS A 15 -0.392 0.619 -0.750 1.00 43.31 H new ATOM 0 HD2 HIS A 15 -1.363 -0.836 1.579 1.00 25.00 H new ATOM 0 HE1 HIS A 15 2.253 -2.883 2.100 1.00 30.51 H new ATOM 0 HE2 HIS A 15 0.068 -2.176 3.198 1.00 14.44 H new ATOM 263 N ILE A 16 -2.299 -0.508 -3.783 1.00 34.23 N ATOM 264 CA ILE A 16 -2.872 0.304 -4.849 1.00 42.34 C ATOM 265 C ILE A 16 -3.761 -0.534 -5.761 1.00 32.52 C ATOM 266 O ILE A 16 -3.307 -1.502 -6.371 1.00 12.24 O ATOM 267 CB ILE A 16 -1.775 0.975 -5.697 1.00 63.32 C ATOM 268 CG1 ILE A 16 -1.512 2.397 -5.198 1.00 65.22 C ATOM 269 CG2 ILE A 16 -2.174 0.988 -7.165 1.00 51.12 C ATOM 270 CD1 ILE A 16 -0.431 2.476 -4.143 1.00 15.11 C ATOM 0 H ILE A 16 -2.001 -1.439 -4.075 1.00 34.23 H new ATOM 0 HA ILE A 16 -3.473 1.076 -4.369 1.00 42.34 H new ATOM 0 HB ILE A 16 -0.855 0.399 -5.596 1.00 63.32 H new ATOM 0 HG12 ILE A 16 -1.230 3.024 -6.044 1.00 65.22 H new ATOM 0 HG13 ILE A 16 -2.436 2.808 -4.791 1.00 65.22 H new ATOM 0 HG21 ILE A 16 -1.389 1.465 -7.751 1.00 51.12 H new ATOM 0 HG22 ILE A 16 -2.315 -0.035 -7.513 1.00 51.12 H new ATOM 0 HG23 ILE A 16 -3.104 1.543 -7.284 1.00 51.12 H new ATOM 0 HD11 ILE A 16 -0.298 3.513 -3.836 1.00 15.11 H new ATOM 0 HD12 ILE A 16 -0.720 1.876 -3.280 1.00 15.11 H new ATOM 0 HD13 ILE A 16 0.505 2.096 -4.552 1.00 15.11 H new ATOM 282 N SER A 17 -5.033 -0.154 -5.850 1.00 62.01 N ATOM 283 CA SER A 17 -5.988 -0.871 -6.686 1.00 21.10 C ATOM 284 C SER A 17 -7.105 0.057 -7.155 1.00 42.34 C ATOM 285 O SER A 17 -7.898 0.548 -6.351 1.00 23.42 O ATOM 286 CB SER A 17 -6.582 -2.054 -5.919 1.00 4.31 C ATOM 287 OG SER A 17 -5.564 -2.928 -5.462 1.00 44.33 O ATOM 0 H SER A 17 -5.425 0.646 -5.353 1.00 62.01 H new ATOM 0 HA SER A 17 -5.457 -1.244 -7.562 1.00 21.10 H new ATOM 0 HB2 SER A 17 -7.160 -1.688 -5.070 1.00 4.31 H new ATOM 0 HB3 SER A 17 -7.272 -2.599 -6.563 1.00 4.31 H new ATOM 0 HG SER A 17 -5.951 -3.807 -5.266 1.00 44.33 H new ATOM 293 N LEU A 18 -7.159 0.295 -8.460 1.00 43.23 N ATOM 294 CA LEU A 18 -8.177 1.165 -9.039 1.00 32.34 C ATOM 295 C LEU A 18 -9.574 0.603 -8.797 1.00 23.43 C ATOM 296 O LEU A 18 -10.446 1.288 -8.265 1.00 52.02 O ATOM 297 CB LEU A 18 -7.938 1.337 -10.539 1.00 63.14 C ATOM 298 CG LEU A 18 -6.481 1.255 -11.000 1.00 33.33 C ATOM 299 CD1 LEU A 18 -6.357 1.681 -12.455 1.00 71.01 C ATOM 300 CD2 LEU A 18 -5.592 2.114 -10.113 1.00 3.24 C ATOM 0 H LEU A 18 -6.509 -0.102 -9.138 1.00 43.23 H new ATOM 0 HA LEU A 18 -8.106 2.138 -8.553 1.00 32.34 H new ATOM 0 HB2 LEU A 18 -8.509 0.574 -11.068 1.00 63.14 H new ATOM 0 HB3 LEU A 18 -8.340 2.303 -10.842 1.00 63.14 H new ATOM 0 HG LEU A 18 -6.151 0.220 -10.917 1.00 33.33 H new ATOM 0 HD11 LEU A 18 -5.314 1.616 -12.765 1.00 71.01 H new ATOM 0 HD12 LEU A 18 -6.963 1.024 -13.079 1.00 71.01 H new ATOM 0 HD13 LEU A 18 -6.705 2.708 -12.564 1.00 71.01 H new ATOM 0 HD21 LEU A 18 -4.560 2.044 -10.455 1.00 3.24 H new ATOM 0 HD22 LEU A 18 -5.921 3.152 -10.164 1.00 3.24 H new ATOM 0 HD23 LEU A 18 -5.657 1.763 -9.083 1.00 3.24 H new ATOM 312 N ASN A 19 -9.779 -0.651 -9.189 1.00 5.13 N ATOM 313 CA ASN A 19 -11.069 -1.307 -9.013 1.00 54.31 C ATOM 314 C ASN A 19 -10.893 -2.710 -8.442 1.00 2.01 C ATOM 315 O ASN A 19 -11.184 -3.713 -9.093 1.00 64.21 O ATOM 316 CB ASN A 19 -11.814 -1.376 -10.348 1.00 22.52 C ATOM 317 CG ASN A 19 -11.678 -0.100 -11.153 1.00 72.43 C ATOM 318 OD1 ASN A 19 -10.564 0.036 -11.863 1.00 3.11 O flip ATOM 319 ND2 ASN A 19 -12.566 0.754 -11.139 1.00 71.40 N flip ATOM 0 H ASN A 19 -9.067 -1.233 -9.631 1.00 5.13 H new ATOM 0 HA ASN A 19 -11.655 -0.719 -8.307 1.00 54.31 H new ATOM 0 HB2 ASN A 19 -11.431 -2.213 -10.932 1.00 22.52 H new ATOM 0 HB3 ASN A 19 -12.870 -1.574 -10.162 1.00 22.52 H new ATOM 0 HD21 ASN A 19 -13.406 0.608 -10.579 1.00 71.40 H new ATOM 0 HD22 ASN A 19 -12.462 1.607 -11.688 1.00 71.40 H new ATOM 326 N PRO A 20 -10.406 -2.784 -7.194 1.00 35.41 N ATOM 327 CA PRO A 20 -10.181 -4.059 -6.507 1.00 14.02 C ATOM 328 C PRO A 20 -11.487 -4.760 -6.144 1.00 25.30 C ATOM 329 O PRO A 20 -12.478 -4.128 -5.779 1.00 42.04 O ATOM 330 CB PRO A 20 -9.424 -3.651 -5.240 1.00 72.34 C ATOM 331 CG PRO A 20 -9.824 -2.236 -5.000 1.00 33.31 C ATOM 332 CD PRO A 20 -10.037 -1.629 -6.359 1.00 33.33 C ATOM 0 HA PRO A 20 -9.641 -4.769 -7.133 1.00 14.02 H new ATOM 0 HB2 PRO A 20 -9.692 -4.287 -4.396 1.00 72.34 H new ATOM 0 HB3 PRO A 20 -8.346 -3.740 -5.376 1.00 72.34 H new ATOM 0 HG2 PRO A 20 -10.734 -2.184 -4.402 1.00 33.31 H new ATOM 0 HG3 PRO A 20 -9.051 -1.700 -4.450 1.00 33.31 H new ATOM 0 HD2 PRO A 20 -10.825 -0.876 -6.344 1.00 33.33 H new ATOM 0 HD3 PRO A 20 -9.135 -1.139 -6.726 1.00 33.33 H new ATOM 340 N PRO A 21 -11.488 -6.098 -6.244 1.00 70.35 N ATOM 341 CA PRO A 21 -12.665 -6.913 -5.930 1.00 52.02 C ATOM 342 C PRO A 21 -12.980 -6.927 -4.438 1.00 3.32 C ATOM 343 O PRO A 21 -12.515 -6.067 -3.688 1.00 33.21 O ATOM 344 CB PRO A 21 -12.264 -8.313 -6.404 1.00 53.34 C ATOM 345 CG PRO A 21 -10.775 -8.319 -6.347 1.00 32.43 C ATOM 346 CD PRO A 21 -10.342 -6.917 -6.672 1.00 12.32 C ATOM 0 HA PRO A 21 -13.566 -6.528 -6.407 1.00 52.02 H new ATOM 0 HB2 PRO A 21 -12.688 -9.085 -5.762 1.00 53.34 H new ATOM 0 HB3 PRO A 21 -12.622 -8.507 -7.415 1.00 53.34 H new ATOM 0 HG2 PRO A 21 -10.424 -8.617 -5.359 1.00 32.43 H new ATOM 0 HG3 PRO A 21 -10.360 -9.031 -7.061 1.00 32.43 H new ATOM 0 HD2 PRO A 21 -9.431 -6.644 -6.139 1.00 12.32 H new ATOM 0 HD3 PRO A 21 -10.137 -6.796 -7.736 1.00 12.32 H new ATOM 354 N ARG A 22 -13.770 -7.908 -4.013 1.00 44.42 N ATOM 355 CA ARG A 22 -14.146 -8.031 -2.610 1.00 25.42 C ATOM 356 C ARG A 22 -12.923 -8.307 -1.741 1.00 61.32 C ATOM 357 O ARG A 22 -12.190 -9.271 -1.969 1.00 60.02 O ATOM 358 CB ARG A 22 -15.173 -9.151 -2.433 1.00 72.33 C ATOM 359 CG ARG A 22 -16.580 -8.760 -2.858 1.00 22.11 C ATOM 360 CD ARG A 22 -17.346 -8.111 -1.716 1.00 20.34 C ATOM 361 NE ARG A 22 -17.581 -9.042 -0.615 1.00 41.40 N ATOM 362 CZ ARG A 22 -18.602 -9.891 -0.575 1.00 2.02 C ATOM 363 NH1 ARG A 22 -19.479 -9.926 -1.569 1.00 43.54 N ATOM 364 NH2 ARG A 22 -18.748 -10.707 0.461 1.00 42.22 N ATOM 0 H ARG A 22 -14.162 -8.628 -4.620 1.00 44.42 H new ATOM 0 HA ARG A 22 -14.589 -7.086 -2.294 1.00 25.42 H new ATOM 0 HB2 ARG A 22 -14.856 -10.018 -3.012 1.00 72.33 H new ATOM 0 HB3 ARG A 22 -15.190 -9.455 -1.386 1.00 72.33 H new ATOM 0 HG2 ARG A 22 -16.528 -8.071 -3.701 1.00 22.11 H new ATOM 0 HG3 ARG A 22 -17.117 -9.644 -3.201 1.00 22.11 H new ATOM 0 HD2 ARG A 22 -16.788 -7.249 -1.349 1.00 20.34 H new ATOM 0 HD3 ARG A 22 -18.301 -7.739 -2.086 1.00 20.34 H new ATOM 0 HE ARG A 22 -16.925 -9.040 0.166 1.00 41.40 H new ATOM 0 HH11 ARG A 22 -19.371 -9.300 -2.367 1.00 43.54 H new ATOM 0 HH12 ARG A 22 -20.262 -10.579 -1.536 1.00 43.54 H new ATOM 0 HH21 ARG A 22 -18.076 -10.683 1.228 1.00 42.22 H new ATOM 0 HH22 ARG A 22 -19.532 -11.358 0.491 1.00 42.22 H new ATOM 378 N CYS A 23 -12.707 -7.456 -0.745 1.00 0.31 N ATOM 379 CA CYS A 23 -11.572 -7.606 0.158 1.00 13.24 C ATOM 380 C CYS A 23 -11.293 -9.080 0.442 1.00 73.13 C ATOM 381 O CYS A 23 -10.158 -9.467 0.717 1.00 70.23 O ATOM 382 CB CYS A 23 -11.835 -6.865 1.470 1.00 55.53 C ATOM 383 SG CYS A 23 -11.764 -5.050 1.325 1.00 1.50 S ATOM 0 H CYS A 23 -13.304 -6.654 -0.542 1.00 0.31 H new ATOM 0 HA CYS A 23 -10.696 -7.175 -0.326 1.00 13.24 H new ATOM 0 HB2 CYS A 23 -12.817 -7.151 1.846 1.00 55.53 H new ATOM 0 HB3 CYS A 23 -11.104 -7.189 2.211 1.00 55.53 H new ATOM 388 N THR A 24 -12.339 -9.897 0.372 1.00 33.30 N ATOM 389 CA THR A 24 -12.209 -11.328 0.622 1.00 70.14 C ATOM 390 C THR A 24 -11.218 -11.966 -0.344 1.00 62.22 C ATOM 391 O THR A 24 -10.279 -12.644 0.073 1.00 61.03 O ATOM 392 CB THR A 24 -13.566 -12.046 0.497 1.00 64.01 C ATOM 393 OG1 THR A 24 -14.358 -11.803 1.664 1.00 51.42 O ATOM 394 CG2 THR A 24 -13.370 -13.543 0.313 1.00 32.23 C ATOM 0 H THR A 24 -13.286 -9.593 0.144 1.00 33.30 H new ATOM 0 HA THR A 24 -11.841 -11.439 1.642 1.00 70.14 H new ATOM 0 HB THR A 24 -14.082 -11.653 -0.379 1.00 64.01 H new ATOM 0 HG1 THR A 24 -15.220 -12.261 1.576 1.00 51.42 H new ATOM 0 HG21 THR A 24 -14.342 -14.029 0.227 1.00 32.23 H new ATOM 0 HG22 THR A 24 -12.791 -13.726 -0.593 1.00 32.23 H new ATOM 0 HG23 THR A 24 -12.836 -13.948 1.173 1.00 32.23 H new ATOM 402 N ILE A 25 -11.433 -11.744 -1.637 1.00 4.22 N ATOM 403 CA ILE A 25 -10.556 -12.297 -2.663 1.00 12.23 C ATOM 404 C ILE A 25 -9.453 -11.311 -3.033 1.00 75.31 C ATOM 405 O ILE A 25 -8.316 -11.703 -3.289 1.00 24.33 O ATOM 406 CB ILE A 25 -11.342 -12.673 -3.933 1.00 11.34 C ATOM 407 CG1 ILE A 25 -12.717 -13.230 -3.560 1.00 32.11 C ATOM 408 CG2 ILE A 25 -10.561 -13.683 -4.759 1.00 31.14 C ATOM 409 CD1 ILE A 25 -13.641 -13.401 -4.747 1.00 2.14 C ATOM 0 H ILE A 25 -12.206 -11.186 -1.999 1.00 4.22 H new ATOM 0 HA ILE A 25 -10.108 -13.198 -2.244 1.00 12.23 H new ATOM 0 HB ILE A 25 -11.485 -11.775 -4.534 1.00 11.34 H new ATOM 0 HG12 ILE A 25 -12.588 -14.194 -3.068 1.00 32.11 H new ATOM 0 HG13 ILE A 25 -13.187 -12.563 -2.837 1.00 32.11 H new ATOM 0 HG21 ILE A 25 -11.129 -13.939 -5.653 1.00 31.14 H new ATOM 0 HG22 ILE A 25 -9.603 -13.252 -5.049 1.00 31.14 H new ATOM 0 HG23 ILE A 25 -10.391 -14.583 -4.168 1.00 31.14 H new ATOM 0 HD11 ILE A 25 -14.598 -13.800 -4.409 1.00 2.14 H new ATOM 0 HD12 ILE A 25 -13.799 -12.435 -5.227 1.00 2.14 H new ATOM 0 HD13 ILE A 25 -13.192 -14.092 -5.461 1.00 2.14 H new ATOM 421 N ALA A 26 -9.800 -10.027 -3.060 1.00 21.52 N ATOM 422 CA ALA A 26 -8.839 -8.985 -3.396 1.00 53.02 C ATOM 423 C ALA A 26 -7.512 -9.209 -2.680 1.00 41.51 C ATOM 424 O ALA A 26 -6.471 -8.715 -3.112 1.00 64.11 O ATOM 425 CB ALA A 26 -9.403 -7.615 -3.048 1.00 14.24 C ATOM 0 H ALA A 26 -10.739 -9.685 -2.853 1.00 21.52 H new ATOM 0 HA ALA A 26 -8.654 -9.029 -4.469 1.00 53.02 H new ATOM 0 HB1 ALA A 26 -8.674 -6.846 -3.304 1.00 14.24 H new ATOM 0 HB2 ALA A 26 -10.322 -7.446 -3.610 1.00 14.24 H new ATOM 0 HB3 ALA A 26 -9.617 -7.570 -1.980 1.00 14.24 H new ATOM 431 N MET A 27 -7.556 -9.957 -1.581 1.00 42.22 N ATOM 432 CA MET A 27 -6.355 -10.247 -0.806 1.00 74.20 C ATOM 433 C MET A 27 -5.836 -11.648 -1.111 1.00 52.13 C ATOM 434 O MET A 27 -5.225 -12.293 -0.259 1.00 41.04 O ATOM 435 CB MET A 27 -6.645 -10.112 0.690 1.00 4.21 C ATOM 436 CG MET A 27 -7.069 -8.712 1.103 1.00 11.14 C ATOM 437 SD MET A 27 -6.580 -8.308 2.791 1.00 3.15 S ATOM 438 CE MET A 27 -4.797 -8.412 2.662 1.00 21.42 C ATOM 0 H MET A 27 -8.410 -10.373 -1.208 1.00 42.22 H new ATOM 0 HA MET A 27 -5.587 -9.526 -1.087 1.00 74.20 H new ATOM 0 HB2 MET A 27 -7.430 -10.816 0.964 1.00 4.21 H new ATOM 0 HB3 MET A 27 -5.754 -10.393 1.251 1.00 4.21 H new ATOM 0 HG2 MET A 27 -6.630 -7.987 0.418 1.00 11.14 H new ATOM 0 HG3 MET A 27 -8.151 -8.622 1.011 1.00 11.14 H new ATOM 0 HE1 MET A 27 -4.423 -9.147 3.374 1.00 21.42 H new ATOM 0 HE2 MET A 27 -4.522 -8.714 1.651 1.00 21.42 H new ATOM 0 HE3 MET A 27 -4.359 -7.438 2.882 1.00 21.42 H new ATOM 448 N ARG A 28 -6.084 -12.113 -2.331 1.00 23.21 N ATOM 449 CA ARG A 28 -5.643 -13.439 -2.748 1.00 22.02 C ATOM 450 C ARG A 28 -4.253 -13.377 -3.375 1.00 5.05 C ATOM 451 O ARG A 28 -3.262 -13.757 -2.750 1.00 70.51 O ATOM 452 CB ARG A 28 -6.636 -14.042 -3.743 1.00 52.23 C ATOM 453 CG ARG A 28 -7.729 -14.869 -3.087 1.00 11.32 C ATOM 454 CD ARG A 28 -8.464 -15.727 -4.104 1.00 71.24 C ATOM 455 NE ARG A 28 -7.845 -17.040 -4.263 1.00 12.32 N ATOM 456 CZ ARG A 28 -8.106 -18.076 -3.473 1.00 21.23 C ATOM 457 NH1 ARG A 28 -8.971 -17.952 -2.476 1.00 52.13 N ATOM 458 NH2 ARG A 28 -7.502 -19.239 -3.681 1.00 4.22 N ATOM 0 H ARG A 28 -6.588 -11.591 -3.048 1.00 23.21 H new ATOM 0 HA ARG A 28 -5.596 -14.073 -1.863 1.00 22.02 H new ATOM 0 HB2 ARG A 28 -7.096 -13.238 -4.317 1.00 52.23 H new ATOM 0 HB3 ARG A 28 -6.093 -14.669 -4.451 1.00 52.23 H new ATOM 0 HG2 ARG A 28 -7.292 -15.507 -2.319 1.00 11.32 H new ATOM 0 HG3 ARG A 28 -8.437 -14.208 -2.588 1.00 11.32 H new ATOM 0 HD2 ARG A 28 -9.501 -15.851 -3.792 1.00 71.24 H new ATOM 0 HD3 ARG A 28 -8.480 -15.215 -5.066 1.00 71.24 H new ATOM 0 HE ARG A 28 -7.176 -17.169 -5.022 1.00 12.32 H new ATOM 0 HH11 ARG A 28 -9.438 -17.060 -2.314 1.00 52.13 H new ATOM 0 HH12 ARG A 28 -9.170 -18.749 -1.871 1.00 52.13 H new ATOM 0 HH21 ARG A 28 -6.837 -19.338 -4.448 1.00 4.22 H new ATOM 0 HH22 ARG A 28 -7.703 -20.034 -3.074 1.00 4.22 H new ATOM 472 N ALA A 29 -4.188 -12.896 -4.611 1.00 21.40 N ATOM 473 CA ALA A 29 -2.920 -12.783 -5.322 1.00 43.00 C ATOM 474 C ALA A 29 -1.869 -12.089 -4.462 1.00 1.22 C ATOM 475 O ALA A 29 -0.673 -12.353 -4.594 1.00 34.02 O ATOM 476 CB ALA A 29 -3.113 -12.032 -6.630 1.00 61.24 C ATOM 0 H ALA A 29 -4.999 -12.578 -5.142 1.00 21.40 H new ATOM 0 HA ALA A 29 -2.565 -13.790 -5.543 1.00 43.00 H new ATOM 0 HB1 ALA A 29 -2.158 -11.955 -7.150 1.00 61.24 H new ATOM 0 HB2 ALA A 29 -3.825 -12.569 -7.256 1.00 61.24 H new ATOM 0 HB3 ALA A 29 -3.494 -11.032 -6.423 1.00 61.24 H new ATOM 482 N ILE A 30 -2.322 -11.202 -3.582 1.00 73.13 N ATOM 483 CA ILE A 30 -1.420 -10.471 -2.701 1.00 54.11 C ATOM 484 C ILE A 30 -0.865 -11.378 -1.607 1.00 73.24 C ATOM 485 O ILE A 30 0.316 -11.720 -1.611 1.00 73.12 O ATOM 486 CB ILE A 30 -2.124 -9.268 -2.047 1.00 55.42 C ATOM 487 CG1 ILE A 30 -2.350 -8.159 -3.078 1.00 10.25 C ATOM 488 CG2 ILE A 30 -1.307 -8.750 -0.874 1.00 12.42 C ATOM 489 CD1 ILE A 30 -3.215 -8.585 -4.243 1.00 43.25 C ATOM 0 H ILE A 30 -3.308 -10.972 -3.460 1.00 73.13 H new ATOM 0 HA ILE A 30 -0.599 -10.108 -3.320 1.00 54.11 H new ATOM 0 HB ILE A 30 -3.095 -9.593 -1.673 1.00 55.42 H new ATOM 0 HG12 ILE A 30 -2.814 -7.305 -2.585 1.00 10.25 H new ATOM 0 HG13 ILE A 30 -1.384 -7.823 -3.456 1.00 10.25 H new ATOM 0 HG21 ILE A 30 -1.818 -7.900 -0.422 1.00 12.42 H new ATOM 0 HG22 ILE A 30 -1.193 -9.541 -0.132 1.00 12.42 H new ATOM 0 HG23 ILE A 30 -0.324 -8.438 -1.225 1.00 12.42 H new ATOM 0 HD11 ILE A 30 -3.333 -7.750 -4.933 1.00 43.25 H new ATOM 0 HD12 ILE A 30 -2.743 -9.420 -4.761 1.00 43.25 H new ATOM 0 HD13 ILE A 30 -4.194 -8.893 -3.876 1.00 43.25 H new ATOM 501 N ASN A 31 -1.728 -11.765 -0.674 1.00 73.44 N ATOM 502 CA ASN A 31 -1.326 -12.634 0.425 1.00 2.53 C ATOM 503 C ASN A 31 -0.467 -13.790 -0.080 1.00 73.24 C ATOM 504 O ASN A 31 0.282 -14.399 0.681 1.00 22.34 O ATOM 505 CB ASN A 31 -2.557 -13.179 1.151 1.00 13.10 C ATOM 506 CG ASN A 31 -2.985 -12.296 2.309 1.00 62.44 C ATOM 507 OD1 ASN A 31 -2.232 -12.097 3.263 1.00 74.34 O ATOM 508 ND2 ASN A 31 -4.197 -11.762 2.228 1.00 13.44 N ATOM 0 H ASN A 31 -2.710 -11.490 -0.657 1.00 73.44 H new ATOM 0 HA ASN A 31 -0.734 -12.042 1.123 1.00 2.53 H new ATOM 0 HB2 ASN A 31 -3.381 -13.271 0.444 1.00 13.10 H new ATOM 0 HB3 ASN A 31 -2.342 -14.181 1.522 1.00 13.10 H new ATOM 0 HD21 ASN A 31 -4.539 -11.159 2.976 1.00 13.44 H new ATOM 0 HD22 ASN A 31 -4.786 -11.955 1.418 1.00 13.44 H new ATOM 515 N ASN A 32 -0.583 -14.084 -1.371 1.00 72.22 N ATOM 516 CA ASN A 32 0.183 -15.166 -1.979 1.00 73.43 C ATOM 517 C ASN A 32 1.681 -14.942 -1.799 1.00 55.12 C ATOM 518 O ASN A 32 2.488 -15.833 -2.061 1.00 65.24 O ATOM 519 CB ASN A 32 -0.152 -15.281 -3.468 1.00 72.41 C ATOM 520 CG ASN A 32 0.212 -16.638 -4.039 1.00 34.34 C ATOM 521 OD1 ASN A 32 -0.218 -17.674 -3.529 1.00 41.25 O ATOM 522 ND2 ASN A 32 1.007 -16.639 -5.102 1.00 71.23 N ATOM 0 H ASN A 32 -1.199 -13.589 -2.016 1.00 72.22 H new ATOM 0 HA ASN A 32 -0.089 -16.095 -1.479 1.00 73.43 H new ATOM 0 HB2 ASN A 32 -1.218 -15.103 -3.613 1.00 72.41 H new ATOM 0 HB3 ASN A 32 0.379 -14.504 -4.018 1.00 72.41 H new ATOM 0 HD21 ASN A 32 1.285 -17.522 -5.530 1.00 71.23 H new ATOM 0 HD22 ASN A 32 1.339 -15.757 -5.491 1.00 71.23 H new ATOM 529 N TYR A 33 2.044 -13.745 -1.350 1.00 22.34 N ATOM 530 CA TYR A 33 3.444 -13.403 -1.136 1.00 40.53 C ATOM 531 C TYR A 33 4.032 -14.206 0.021 1.00 70.24 C ATOM 532 O TYR A 33 5.242 -14.418 0.091 1.00 3.04 O ATOM 533 CB TYR A 33 3.588 -11.906 -0.856 1.00 31.11 C ATOM 534 CG TYR A 33 2.770 -11.430 0.323 1.00 40.34 C ATOM 535 CD1 TYR A 33 3.009 -11.917 1.602 1.00 71.42 C ATOM 536 CD2 TYR A 33 1.760 -10.490 0.158 1.00 22.02 C ATOM 537 CE1 TYR A 33 2.264 -11.486 2.682 1.00 71.45 C ATOM 538 CE2 TYR A 33 1.011 -10.051 1.233 1.00 33.52 C ATOM 539 CZ TYR A 33 1.266 -10.552 2.492 1.00 11.34 C ATOM 540 OH TYR A 33 0.523 -10.118 3.566 1.00 14.23 O ATOM 0 H TYR A 33 1.388 -12.996 -1.128 1.00 22.34 H new ATOM 0 HA TYR A 33 3.994 -13.652 -2.044 1.00 40.53 H new ATOM 0 HB2 TYR A 33 4.638 -11.678 -0.675 1.00 31.11 H new ATOM 0 HB3 TYR A 33 3.289 -11.348 -1.744 1.00 31.11 H new ATOM 0 HD1 TYR A 33 3.791 -12.646 1.754 1.00 71.42 H new ATOM 0 HD2 TYR A 33 1.557 -10.096 -0.827 1.00 22.02 H new ATOM 0 HE1 TYR A 33 2.461 -11.877 3.669 1.00 71.45 H new ATOM 0 HE2 TYR A 33 0.230 -9.319 1.088 1.00 33.52 H new ATOM 0 HH TYR A 33 1.124 -9.851 4.293 1.00 14.23 H new ATOM 550 N ARG A 34 3.165 -14.651 0.924 1.00 70.42 N ATOM 551 CA ARG A 34 3.596 -15.431 2.078 1.00 22.12 C ATOM 552 C ARG A 34 2.544 -16.469 2.456 1.00 41.52 C ATOM 553 O ARG A 34 1.509 -16.585 1.800 1.00 22.13 O ATOM 554 CB ARG A 34 3.872 -14.510 3.268 1.00 33.24 C ATOM 555 CG ARG A 34 5.242 -13.856 3.227 1.00 44.43 C ATOM 556 CD ARG A 34 6.287 -14.706 3.932 1.00 44.15 C ATOM 557 NE ARG A 34 6.825 -15.746 3.060 1.00 63.42 N ATOM 558 CZ ARG A 34 7.869 -16.504 3.376 1.00 61.20 C ATOM 559 NH1 ARG A 34 8.484 -16.339 4.539 1.00 23.21 N ATOM 560 NH2 ARG A 34 8.300 -17.430 2.530 1.00 62.42 N ATOM 0 H ARG A 34 2.160 -14.485 0.879 1.00 70.42 H new ATOM 0 HA ARG A 34 4.515 -15.952 1.811 1.00 22.12 H new ATOM 0 HB2 ARG A 34 3.109 -13.733 3.300 1.00 33.24 H new ATOM 0 HB3 ARG A 34 3.780 -15.084 4.190 1.00 33.24 H new ATOM 0 HG2 ARG A 34 5.540 -13.697 2.190 1.00 44.43 H new ATOM 0 HG3 ARG A 34 5.192 -12.874 3.698 1.00 44.43 H new ATOM 0 HD2 ARG A 34 7.100 -14.068 4.279 1.00 44.15 H new ATOM 0 HD3 ARG A 34 5.844 -15.167 4.815 1.00 44.15 H new ATOM 0 HE ARG A 34 6.374 -15.899 2.158 1.00 63.42 H new ATOM 0 HH11 ARG A 34 8.156 -15.629 5.193 1.00 23.21 H new ATOM 0 HH12 ARG A 34 9.285 -16.922 4.779 1.00 23.21 H new ATOM 0 HH21 ARG A 34 7.830 -17.561 1.635 1.00 62.42 H new ATOM 0 HH22 ARG A 34 9.102 -18.011 2.775 1.00 62.42 H new ATOM 574 N TRP A 35 2.817 -17.220 3.517 1.00 72.31 N ATOM 575 CA TRP A 35 1.894 -18.249 3.982 1.00 31.42 C ATOM 576 C TRP A 35 1.098 -17.762 5.189 1.00 42.13 C ATOM 577 O TRP A 35 0.511 -18.559 5.920 1.00 73.54 O ATOM 578 CB TRP A 35 2.658 -19.524 4.341 1.00 20.51 C ATOM 579 CG TRP A 35 2.814 -20.468 3.186 1.00 0.13 C ATOM 580 CD1 TRP A 35 3.929 -20.644 2.417 1.00 11.53 C ATOM 581 CD2 TRP A 35 1.822 -21.362 2.670 1.00 42.20 C ATOM 582 NE1 TRP A 35 3.689 -21.595 1.454 1.00 42.43 N ATOM 583 CE2 TRP A 35 2.405 -22.051 1.588 1.00 11.44 C ATOM 584 CE3 TRP A 35 0.500 -21.650 3.018 1.00 72.23 C ATOM 585 CZ2 TRP A 35 1.709 -23.006 0.853 1.00 23.42 C ATOM 586 CZ3 TRP A 35 -0.189 -22.599 2.287 1.00 34.01 C ATOM 587 CH2 TRP A 35 0.416 -23.268 1.215 1.00 5.03 C ATOM 0 H TRP A 35 3.669 -17.136 4.071 1.00 72.31 H new ATOM 0 HA TRP A 35 1.196 -18.467 3.174 1.00 31.42 H new ATOM 0 HB2 TRP A 35 3.645 -19.254 4.716 1.00 20.51 H new ATOM 0 HB3 TRP A 35 2.138 -20.035 5.151 1.00 20.51 H new ATOM 0 HD1 TRP A 35 4.861 -20.114 2.546 1.00 11.53 H new ATOM 0 HE1 TRP A 35 4.359 -21.910 0.753 1.00 42.43 H new ATOM 0 HE3 TRP A 35 0.025 -21.140 3.843 1.00 72.23 H new ATOM 0 HZ2 TRP A 35 2.173 -23.522 0.026 1.00 23.42 H new ATOM 0 HZ3 TRP A 35 -1.212 -22.829 2.547 1.00 34.01 H new ATOM 0 HH2 TRP A 35 -0.149 -24.005 0.664 1.00 5.03 H new ATOM 598 N ARG A 36 1.085 -16.448 5.392 1.00 21.22 N ATOM 599 CA ARG A 36 0.363 -15.856 6.511 1.00 33.33 C ATOM 600 C ARG A 36 -0.674 -14.850 6.018 1.00 20.41 C ATOM 601 O ARG A 36 -0.596 -14.366 4.889 1.00 44.23 O ATOM 602 CB ARG A 36 1.338 -15.170 7.470 1.00 22.50 C ATOM 603 CG ARG A 36 0.729 -14.000 8.225 1.00 74.00 C ATOM 604 CD ARG A 36 1.776 -13.257 9.039 1.00 71.22 C ATOM 605 NE ARG A 36 2.515 -14.151 9.927 1.00 51.35 N ATOM 606 CZ ARG A 36 3.736 -13.891 10.379 1.00 3.34 C ATOM 607 NH1 ARG A 36 4.352 -12.769 10.032 1.00 25.54 N ATOM 608 NH2 ARG A 36 4.344 -14.754 11.185 1.00 71.34 N ATOM 0 H ARG A 36 1.566 -15.774 4.796 1.00 21.22 H new ATOM 0 HA ARG A 36 -0.154 -16.656 7.040 1.00 33.33 H new ATOM 0 HB2 ARG A 36 1.704 -15.904 8.188 1.00 22.50 H new ATOM 0 HB3 ARG A 36 2.201 -14.817 6.906 1.00 22.50 H new ATOM 0 HG2 ARG A 36 0.261 -13.314 7.519 1.00 74.00 H new ATOM 0 HG3 ARG A 36 -0.058 -14.362 8.886 1.00 74.00 H new ATOM 0 HD2 ARG A 36 2.473 -12.758 8.365 1.00 71.22 H new ATOM 0 HD3 ARG A 36 1.291 -12.479 9.629 1.00 71.22 H new ATOM 0 HE ARG A 36 2.069 -15.022 10.215 1.00 51.35 H new ATOM 0 HH11 ARG A 36 3.888 -12.102 9.416 1.00 25.54 H new ATOM 0 HH12 ARG A 36 5.290 -12.573 10.382 1.00 25.54 H new ATOM 0 HH21 ARG A 36 3.873 -15.617 11.457 1.00 71.34 H new ATOM 0 HH22 ARG A 36 5.282 -14.554 11.532 1.00 71.34 H new ATOM 622 N CYS A 37 -1.644 -14.542 6.872 1.00 75.54 N ATOM 623 CA CYS A 37 -2.697 -13.596 6.524 1.00 72.51 C ATOM 624 C CYS A 37 -2.386 -12.209 7.076 1.00 1.33 C ATOM 625 O CYS A 37 -1.479 -12.042 7.892 1.00 74.20 O ATOM 626 CB CYS A 37 -4.045 -14.081 7.061 1.00 11.11 C ATOM 627 SG CYS A 37 -5.482 -13.480 6.117 1.00 74.44 S ATOM 0 H CYS A 37 -1.723 -14.934 7.810 1.00 75.54 H new ATOM 0 HA CYS A 37 -2.749 -13.532 5.437 1.00 72.51 H new ATOM 0 HB2 CYS A 37 -4.053 -15.171 7.060 1.00 11.11 H new ATOM 0 HB3 CYS A 37 -4.146 -13.762 8.098 1.00 11.11 H new ATOM 632 N LYS A 38 -3.145 -11.215 6.626 1.00 41.33 N ATOM 633 CA LYS A 38 -2.952 -9.841 7.075 1.00 30.21 C ATOM 634 C LYS A 38 -4.058 -9.424 8.040 1.00 33.43 C ATOM 635 O LYS A 38 -5.176 -9.931 7.973 1.00 33.43 O ATOM 636 CB LYS A 38 -2.922 -8.891 5.876 1.00 13.43 C ATOM 637 CG LYS A 38 -2.061 -7.659 6.099 1.00 72.21 C ATOM 638 CD LYS A 38 -0.584 -7.974 5.934 1.00 53.42 C ATOM 639 CE LYS A 38 0.250 -6.705 5.844 1.00 1.52 C ATOM 640 NZ LYS A 38 1.685 -6.961 6.151 1.00 32.43 N ATOM 0 H LYS A 38 -3.900 -11.336 5.950 1.00 41.33 H new ATOM 0 HA LYS A 38 -1.997 -9.786 7.598 1.00 30.21 H new ATOM 0 HB2 LYS A 38 -2.551 -9.431 5.004 1.00 13.43 H new ATOM 0 HB3 LYS A 38 -3.940 -8.576 5.647 1.00 13.43 H new ATOM 0 HG2 LYS A 38 -2.349 -6.880 5.393 1.00 72.21 H new ATOM 0 HG3 LYS A 38 -2.240 -7.265 7.099 1.00 72.21 H new ATOM 0 HD2 LYS A 38 -0.243 -8.576 6.776 1.00 53.42 H new ATOM 0 HD3 LYS A 38 -0.437 -8.572 5.035 1.00 53.42 H new ATOM 0 HE2 LYS A 38 0.163 -6.283 4.843 1.00 1.52 H new ATOM 0 HE3 LYS A 38 -0.143 -5.962 6.538 1.00 1.52 H new ATOM 0 HZ1 LYS A 38 2.219 -6.072 6.079 1.00 32.43 H new ATOM 0 HZ2 LYS A 38 1.771 -7.340 7.116 1.00 32.43 H new ATOM 0 HZ3 LYS A 38 2.067 -7.651 5.473 1.00 32.43 H new ATOM 654 N ASN A 39 -3.737 -8.495 8.935 1.00 74.23 N ATOM 655 CA ASN A 39 -4.705 -8.010 9.913 1.00 45.35 C ATOM 656 C ASN A 39 -5.427 -6.770 9.393 1.00 73.43 C ATOM 657 O ASN A 39 -6.481 -6.394 9.908 1.00 62.15 O ATOM 658 CB ASN A 39 -4.006 -7.689 11.236 1.00 71.32 C ATOM 659 CG ASN A 39 -4.847 -6.802 12.133 1.00 71.24 C ATOM 660 OD1 ASN A 39 -4.509 -5.641 12.369 1.00 21.30 O ATOM 661 ND2 ASN A 39 -5.949 -7.344 12.638 1.00 71.30 N ATOM 0 H ASN A 39 -2.815 -8.063 9.003 1.00 74.23 H new ATOM 0 HA ASN A 39 -5.442 -8.796 10.080 1.00 45.35 H new ATOM 0 HB2 ASN A 39 -3.778 -8.618 11.758 1.00 71.32 H new ATOM 0 HB3 ASN A 39 -3.055 -7.197 11.031 1.00 71.32 H new ATOM 0 HD21 ASN A 39 -6.554 -6.795 13.248 1.00 71.30 H new ATOM 0 HD22 ASN A 39 -6.190 -8.310 12.416 1.00 71.30 H new ATOM 668 N GLN A 40 -4.855 -6.142 8.371 1.00 23.33 N ATOM 669 CA GLN A 40 -5.445 -4.946 7.782 1.00 2.34 C ATOM 670 C GLN A 40 -4.655 -4.496 6.559 1.00 42.55 C ATOM 671 O GLN A 40 -3.426 -4.543 6.549 1.00 52.54 O ATOM 672 CB GLN A 40 -5.497 -3.817 8.815 1.00 64.30 C ATOM 673 CG GLN A 40 -6.758 -2.972 8.727 1.00 44.42 C ATOM 674 CD GLN A 40 -6.544 -1.554 9.218 1.00 10.24 C ATOM 675 OE1 GLN A 40 -6.455 -1.308 10.422 1.00 72.02 O ATOM 676 NE2 GLN A 40 -6.459 -0.611 8.288 1.00 22.12 N ATOM 0 H GLN A 40 -3.984 -6.442 7.934 1.00 23.33 H new ATOM 0 HA GLN A 40 -6.460 -5.188 7.467 1.00 2.34 H new ATOM 0 HB2 GLN A 40 -5.426 -4.246 9.814 1.00 64.30 H new ATOM 0 HB3 GLN A 40 -4.628 -3.173 8.682 1.00 64.30 H new ATOM 0 HG2 GLN A 40 -7.103 -2.947 7.693 1.00 44.42 H new ATOM 0 HG3 GLN A 40 -7.547 -3.441 9.315 1.00 44.42 H new ATOM 0 HE21 GLN A 40 -6.538 -0.859 7.302 1.00 22.12 H new ATOM 0 HE22 GLN A 40 -6.314 0.362 8.560 1.00 22.12 H new ATOM 685 N ASN A 41 -5.370 -4.058 5.527 1.00 41.11 N ATOM 686 CA ASN A 41 -4.735 -3.599 4.296 1.00 31.43 C ATOM 687 C ASN A 41 -5.448 -2.370 3.743 1.00 74.41 C ATOM 688 O ASN A 41 -6.634 -2.157 3.998 1.00 63.22 O ATOM 689 CB ASN A 41 -4.735 -4.717 3.252 1.00 73.23 C ATOM 690 CG ASN A 41 -3.899 -4.371 2.035 1.00 62.02 C ATOM 691 OD1 ASN A 41 -3.305 -3.295 1.962 1.00 1.41 O ATOM 692 ND2 ASN A 41 -3.848 -5.284 1.072 1.00 12.12 N ATOM 0 H ASN A 41 -6.389 -4.011 5.519 1.00 41.11 H new ATOM 0 HA ASN A 41 -3.705 -3.326 4.526 1.00 31.43 H new ATOM 0 HB2 ASN A 41 -4.353 -5.632 3.704 1.00 73.23 H new ATOM 0 HB3 ASN A 41 -5.760 -4.919 2.940 1.00 73.23 H new ATOM 0 HD21 ASN A 41 -3.301 -5.107 0.230 1.00 12.12 H new ATOM 0 HD22 ASN A 41 -4.356 -6.162 1.175 1.00 12.12 H new ATOM 699 N THR A 42 -4.718 -1.561 2.981 1.00 45.11 N ATOM 700 CA THR A 42 -5.278 -0.353 2.391 1.00 13.40 C ATOM 701 C THR A 42 -4.949 -0.263 0.905 1.00 12.32 C ATOM 702 O THR A 42 -3.781 -0.192 0.521 1.00 1.24 O ATOM 703 CB THR A 42 -4.757 0.912 3.099 1.00 53.22 C ATOM 704 OG1 THR A 42 -5.151 0.901 4.476 1.00 42.21 O ATOM 705 CG2 THR A 42 -5.289 2.168 2.424 1.00 32.34 C ATOM 0 H THR A 42 -3.736 -1.722 2.758 1.00 45.11 H new ATOM 0 HA THR A 42 -6.359 -0.411 2.518 1.00 13.40 H new ATOM 0 HB THR A 42 -3.669 0.916 3.033 1.00 53.22 H new ATOM 0 HG1 THR A 42 -6.078 1.210 4.554 1.00 42.21 H new ATOM 0 HG21 THR A 42 -4.908 3.048 2.941 1.00 32.34 H new ATOM 0 HG22 THR A 42 -4.963 2.188 1.384 1.00 32.34 H new ATOM 0 HG23 THR A 42 -6.378 2.168 2.462 1.00 32.34 H new ATOM 713 N PHE A 43 -5.984 -0.263 0.074 1.00 72.44 N ATOM 714 CA PHE A 43 -5.805 -0.182 -1.371 1.00 72.25 C ATOM 715 C PHE A 43 -6.229 1.188 -1.896 1.00 22.43 C ATOM 716 O PHE A 43 -7.420 1.490 -1.982 1.00 63.34 O ATOM 717 CB PHE A 43 -6.610 -1.279 -2.070 1.00 63.50 C ATOM 718 CG PHE A 43 -6.388 -2.647 -1.489 1.00 72.31 C ATOM 719 CD1 PHE A 43 -6.772 -2.932 -0.188 1.00 72.11 C ATOM 720 CD2 PHE A 43 -5.797 -3.647 -2.244 1.00 25.34 C ATOM 721 CE1 PHE A 43 -6.569 -4.189 0.349 1.00 22.22 C ATOM 722 CE2 PHE A 43 -5.591 -4.907 -1.712 1.00 15.41 C ATOM 723 CZ PHE A 43 -5.979 -5.178 -0.414 1.00 1.12 C ATOM 0 H PHE A 43 -6.957 -0.318 0.376 1.00 72.44 H new ATOM 0 HA PHE A 43 -4.746 -0.324 -1.588 1.00 72.25 H new ATOM 0 HB2 PHE A 43 -7.671 -1.035 -2.010 1.00 63.50 H new ATOM 0 HB3 PHE A 43 -6.346 -1.295 -3.127 1.00 63.50 H new ATOM 0 HD1 PHE A 43 -7.235 -2.163 0.413 1.00 72.11 H new ATOM 0 HD2 PHE A 43 -5.494 -3.440 -3.260 1.00 25.34 H new ATOM 0 HE1 PHE A 43 -6.871 -4.398 1.365 1.00 22.22 H new ATOM 0 HE2 PHE A 43 -5.128 -5.678 -2.310 1.00 15.41 H new ATOM 0 HZ PHE A 43 -5.821 -6.161 0.003 1.00 1.12 H new ATOM 733 N LEU A 44 -5.247 2.011 -2.244 1.00 5.11 N ATOM 734 CA LEU A 44 -5.516 3.348 -2.760 1.00 52.10 C ATOM 735 C LEU A 44 -5.862 3.300 -4.244 1.00 50.34 C ATOM 736 O LEU A 44 -5.062 2.848 -5.064 1.00 70.44 O ATOM 737 CB LEU A 44 -4.306 4.257 -2.535 1.00 72.54 C ATOM 738 CG LEU A 44 -3.402 3.892 -1.358 1.00 34.34 C ATOM 739 CD1 LEU A 44 -2.594 5.099 -0.911 1.00 11.24 C ATOM 740 CD2 LEU A 44 -4.227 3.342 -0.203 1.00 21.24 C ATOM 0 H LEU A 44 -4.257 1.776 -2.178 1.00 5.11 H new ATOM 0 HA LEU A 44 -6.372 3.753 -2.220 1.00 52.10 H new ATOM 0 HB2 LEU A 44 -3.703 4.258 -3.443 1.00 72.54 H new ATOM 0 HB3 LEU A 44 -4.664 5.276 -2.389 1.00 72.54 H new ATOM 0 HG LEU A 44 -2.708 3.117 -1.684 1.00 34.34 H new ATOM 0 HD11 LEU A 44 -1.956 4.820 -0.072 1.00 11.24 H new ATOM 0 HD12 LEU A 44 -1.975 5.448 -1.737 1.00 11.24 H new ATOM 0 HD13 LEU A 44 -3.271 5.896 -0.603 1.00 11.24 H new ATOM 0 HD21 LEU A 44 -3.567 3.087 0.626 1.00 21.24 H new ATOM 0 HD22 LEU A 44 -4.945 4.095 0.122 1.00 21.24 H new ATOM 0 HD23 LEU A 44 -4.760 2.449 -0.530 1.00 21.24 H new ATOM 752 N ARG A 45 -7.058 3.770 -4.585 1.00 11.55 N ATOM 753 CA ARG A 45 -7.509 3.782 -5.970 1.00 70.43 C ATOM 754 C ARG A 45 -6.691 4.768 -6.800 1.00 21.42 C ATOM 755 O ARG A 45 -7.140 5.879 -7.082 1.00 44.14 O ATOM 756 CB ARG A 45 -8.994 4.145 -6.043 1.00 45.42 C ATOM 757 CG ARG A 45 -9.887 3.214 -5.242 1.00 55.11 C ATOM 758 CD ARG A 45 -11.360 3.515 -5.478 1.00 63.31 C ATOM 759 NE ARG A 45 -11.710 3.451 -6.895 1.00 23.14 N ATOM 760 CZ ARG A 45 -12.935 3.668 -7.359 1.00 13.00 C ATOM 761 NH1 ARG A 45 -13.923 3.962 -6.523 1.00 64.22 N ATOM 762 NH2 ARG A 45 -13.176 3.591 -8.662 1.00 14.31 N ATOM 0 H ARG A 45 -7.732 4.148 -3.919 1.00 11.55 H new ATOM 0 HA ARG A 45 -7.366 2.782 -6.381 1.00 70.43 H new ATOM 0 HB2 ARG A 45 -9.129 5.164 -5.681 1.00 45.42 H new ATOM 0 HB3 ARG A 45 -9.312 4.132 -7.086 1.00 45.42 H new ATOM 0 HG2 ARG A 45 -9.677 2.180 -5.517 1.00 55.11 H new ATOM 0 HG3 ARG A 45 -9.660 3.314 -4.181 1.00 55.11 H new ATOM 0 HD2 ARG A 45 -11.969 2.803 -4.921 1.00 63.31 H new ATOM 0 HD3 ARG A 45 -11.594 4.507 -5.091 1.00 63.31 H new ATOM 0 HE ARG A 45 -10.973 3.227 -7.564 1.00 23.14 H new ATOM 0 HH11 ARG A 45 -13.742 4.022 -5.521 1.00 64.22 H new ATOM 0 HH12 ARG A 45 -14.863 4.128 -6.883 1.00 64.22 H new ATOM 0 HH21 ARG A 45 -12.420 3.365 -9.308 1.00 14.31 H new ATOM 0 HH22 ARG A 45 -14.117 3.758 -9.017 1.00 14.31 H new ATOM 776 N THR A 46 -5.489 4.352 -7.188 1.00 54.32 N ATOM 777 CA THR A 46 -4.609 5.199 -7.983 1.00 52.04 C ATOM 778 C THR A 46 -3.502 4.380 -8.637 1.00 75.04 C ATOM 779 O THR A 46 -3.208 3.262 -8.213 1.00 11.21 O ATOM 780 CB THR A 46 -3.972 6.309 -7.126 1.00 43.01 C ATOM 781 OG1 THR A 46 -3.615 7.422 -7.953 1.00 41.52 O ATOM 782 CG2 THR A 46 -2.739 5.793 -6.402 1.00 45.51 C ATOM 0 H THR A 46 -5.103 3.434 -6.965 1.00 54.32 H new ATOM 0 HA THR A 46 -5.225 5.656 -8.757 1.00 52.04 H new ATOM 0 HB THR A 46 -4.703 6.628 -6.383 1.00 43.01 H new ATOM 0 HG1 THR A 46 -3.517 8.224 -7.398 1.00 41.52 H new ATOM 0 HG21 THR A 46 -2.306 6.595 -5.803 1.00 45.51 H new ATOM 0 HG22 THR A 46 -3.019 4.965 -5.751 1.00 45.51 H new ATOM 0 HG23 THR A 46 -2.006 5.449 -7.132 1.00 45.51 H new ATOM 790 N THR A 47 -2.889 4.943 -9.674 1.00 45.05 N ATOM 791 CA THR A 47 -1.814 4.264 -10.387 1.00 34.44 C ATOM 792 C THR A 47 -0.463 4.545 -9.741 1.00 22.44 C ATOM 793 O THR A 47 -0.251 5.607 -9.156 1.00 52.24 O ATOM 794 CB THR A 47 -1.762 4.694 -11.866 1.00 21.34 C ATOM 795 OG1 THR A 47 -2.252 6.032 -12.004 1.00 43.20 O ATOM 796 CG2 THR A 47 -2.589 3.754 -12.731 1.00 43.33 C ATOM 0 H THR A 47 -3.119 5.867 -10.039 1.00 45.05 H new ATOM 0 HA THR A 47 -2.024 3.196 -10.333 1.00 34.44 H new ATOM 0 HB THR A 47 -0.725 4.651 -12.199 1.00 21.34 H new ATOM 0 HG1 THR A 47 -1.898 6.587 -11.278 1.00 43.20 H new ATOM 0 HG21 THR A 47 -2.538 4.077 -13.771 1.00 43.33 H new ATOM 0 HG22 THR A 47 -2.196 2.741 -12.646 1.00 43.33 H new ATOM 0 HG23 THR A 47 -3.626 3.770 -12.397 1.00 43.33 H new ATOM 804 N PHE A 48 0.451 3.585 -9.849 1.00 55.25 N ATOM 805 CA PHE A 48 1.783 3.729 -9.275 1.00 3.31 C ATOM 806 C PHE A 48 2.362 5.107 -9.581 1.00 14.43 C ATOM 807 O PHE A 48 3.111 5.669 -8.783 1.00 0.44 O ATOM 808 CB PHE A 48 2.714 2.642 -9.815 1.00 2.24 C ATOM 809 CG PHE A 48 3.769 2.214 -8.834 1.00 12.23 C ATOM 810 CD1 PHE A 48 3.436 1.934 -7.518 1.00 2.23 C ATOM 811 CD2 PHE A 48 5.091 2.093 -9.227 1.00 2.32 C ATOM 812 CE1 PHE A 48 4.404 1.542 -6.613 1.00 24.41 C ATOM 813 CE2 PHE A 48 6.063 1.700 -8.327 1.00 5.53 C ATOM 814 CZ PHE A 48 5.720 1.424 -7.018 1.00 23.22 C ATOM 0 H PHE A 48 0.292 2.699 -10.329 1.00 55.25 H new ATOM 0 HA PHE A 48 1.698 3.622 -8.194 1.00 3.31 H new ATOM 0 HB2 PHE A 48 2.119 1.774 -10.099 1.00 2.24 H new ATOM 0 HB3 PHE A 48 3.198 3.007 -10.721 1.00 2.24 H new ATOM 0 HD1 PHE A 48 2.409 2.023 -7.196 1.00 2.23 H new ATOM 0 HD2 PHE A 48 5.366 2.308 -10.249 1.00 2.32 H new ATOM 0 HE1 PHE A 48 4.132 1.328 -5.590 1.00 24.41 H new ATOM 0 HE2 PHE A 48 7.090 1.609 -8.647 1.00 5.53 H new ATOM 0 HZ PHE A 48 6.478 1.117 -6.313 1.00 23.22 H new ATOM 824 N ALA A 49 2.007 5.646 -10.743 1.00 51.41 N ATOM 825 CA ALA A 49 2.489 6.959 -11.155 1.00 1.54 C ATOM 826 C ALA A 49 2.047 8.039 -10.173 1.00 32.10 C ATOM 827 O ALA A 49 2.871 8.771 -9.628 1.00 41.34 O ATOM 828 CB ALA A 49 1.999 7.285 -12.557 1.00 65.23 C ATOM 0 H ALA A 49 1.388 5.194 -11.415 1.00 51.41 H new ATOM 0 HA ALA A 49 3.579 6.934 -11.160 1.00 1.54 H new ATOM 0 HB1 ALA A 49 2.366 8.268 -12.851 1.00 65.23 H new ATOM 0 HB2 ALA A 49 2.370 6.535 -13.256 1.00 65.23 H new ATOM 0 HB3 ALA A 49 0.909 7.286 -12.570 1.00 65.23 H new ATOM 834 N ASN A 50 0.739 8.132 -9.954 1.00 15.42 N ATOM 835 CA ASN A 50 0.187 9.124 -9.038 1.00 34.03 C ATOM 836 C ASN A 50 0.860 9.038 -7.671 1.00 74.24 C ATOM 837 O ASN A 50 0.861 10.002 -6.905 1.00 73.21 O ATOM 838 CB ASN A 50 -1.323 8.926 -8.888 1.00 63.53 C ATOM 839 CG ASN A 50 -2.078 9.252 -10.163 1.00 25.22 C ATOM 840 OD1 ASN A 50 -2.518 8.217 -10.871 1.00 4.50 O flip ATOM 841 ND2 ASN A 50 -2.264 10.419 -10.506 1.00 45.45 N flip ATOM 0 H ASN A 50 0.043 7.533 -10.398 1.00 15.42 H new ATOM 0 HA ASN A 50 0.378 10.113 -9.456 1.00 34.03 H new ATOM 0 HB2 ASN A 50 -1.525 7.893 -8.603 1.00 63.53 H new ATOM 0 HB3 ASN A 50 -1.691 9.557 -8.079 1.00 63.53 H new ATOM 0 HD21 ASN A 50 -1.908 11.183 -9.931 1.00 45.45 H new ATOM 0 HD22 ASN A 50 -2.774 10.623 -11.365 1.00 45.45 H new ATOM 848 N VAL A 51 1.434 7.876 -7.373 1.00 74.30 N ATOM 849 CA VAL A 51 2.113 7.664 -6.099 1.00 75.23 C ATOM 850 C VAL A 51 3.545 8.181 -6.148 1.00 65.43 C ATOM 851 O VAL A 51 4.008 8.848 -5.223 1.00 64.15 O ATOM 852 CB VAL A 51 2.129 6.172 -5.715 1.00 53.30 C ATOM 853 CG1 VAL A 51 3.230 5.895 -4.702 1.00 35.53 C ATOM 854 CG2 VAL A 51 0.773 5.749 -5.170 1.00 61.23 C ATOM 0 H VAL A 51 1.442 7.068 -7.995 1.00 74.30 H new ATOM 0 HA VAL A 51 1.556 8.220 -5.345 1.00 75.23 H new ATOM 0 HB VAL A 51 2.335 5.585 -6.610 1.00 53.30 H new ATOM 0 HG11 VAL A 51 3.227 4.837 -4.442 1.00 35.53 H new ATOM 0 HG12 VAL A 51 4.196 6.160 -5.132 1.00 35.53 H new ATOM 0 HG13 VAL A 51 3.057 6.490 -3.805 1.00 35.53 H new ATOM 0 HG21 VAL A 51 0.801 4.692 -4.904 1.00 61.23 H new ATOM 0 HG22 VAL A 51 0.536 6.340 -4.285 1.00 61.23 H new ATOM 0 HG23 VAL A 51 0.009 5.911 -5.930 1.00 61.23 H new ATOM 864 N VAL A 52 4.245 7.868 -7.235 1.00 32.10 N ATOM 865 CA VAL A 52 5.626 8.302 -7.406 1.00 0.21 C ATOM 866 C VAL A 52 5.730 9.823 -7.390 1.00 42.03 C ATOM 867 O VAL A 52 6.732 10.382 -6.945 1.00 13.55 O ATOM 868 CB VAL A 52 6.223 7.771 -8.723 1.00 15.14 C ATOM 869 CG1 VAL A 52 7.691 8.153 -8.837 1.00 11.13 C ATOM 870 CG2 VAL A 52 6.047 6.264 -8.817 1.00 64.30 C ATOM 0 H VAL A 52 3.878 7.316 -8.010 1.00 32.10 H new ATOM 0 HA VAL A 52 6.192 7.893 -6.569 1.00 0.21 H new ATOM 0 HB VAL A 52 5.688 8.229 -9.555 1.00 15.14 H new ATOM 0 HG11 VAL A 52 8.095 7.769 -9.774 1.00 11.13 H new ATOM 0 HG12 VAL A 52 7.787 9.239 -8.818 1.00 11.13 H new ATOM 0 HG13 VAL A 52 8.244 7.725 -8.001 1.00 11.13 H new ATOM 0 HG21 VAL A 52 6.474 5.905 -9.753 1.00 64.30 H new ATOM 0 HG22 VAL A 52 6.555 5.785 -7.980 1.00 64.30 H new ATOM 0 HG23 VAL A 52 4.985 6.019 -8.785 1.00 64.30 H new ATOM 880 N ASN A 53 4.688 10.488 -7.879 1.00 65.43 N ATOM 881 CA ASN A 53 4.663 11.945 -7.922 1.00 71.33 C ATOM 882 C ASN A 53 4.437 12.526 -6.530 1.00 34.23 C ATOM 883 O ASN A 53 4.758 13.685 -6.269 1.00 65.44 O ATOM 884 CB ASN A 53 3.566 12.428 -8.873 1.00 13.01 C ATOM 885 CG ASN A 53 3.102 13.836 -8.552 1.00 31.15 C ATOM 886 OD1 ASN A 53 3.794 14.811 -8.844 1.00 53.55 O ATOM 887 ND2 ASN A 53 1.925 13.948 -7.947 1.00 32.24 N ATOM 0 H ASN A 53 3.850 10.041 -8.251 1.00 65.43 H new ATOM 0 HA ASN A 53 5.630 12.290 -8.288 1.00 71.33 H new ATOM 0 HB2 ASN A 53 3.937 12.395 -9.898 1.00 13.01 H new ATOM 0 HB3 ASN A 53 2.716 11.747 -8.819 1.00 13.01 H new ATOM 0 HD21 ASN A 53 1.561 14.870 -7.706 1.00 32.24 H new ATOM 0 HD22 ASN A 53 1.385 13.112 -7.724 1.00 32.24 H new ATOM 894 N VAL A 54 3.882 11.711 -5.638 1.00 12.03 N ATOM 895 CA VAL A 54 3.615 12.143 -4.271 1.00 41.41 C ATOM 896 C VAL A 54 4.907 12.270 -3.472 1.00 51.42 C ATOM 897 O VAL A 54 4.990 13.053 -2.525 1.00 12.14 O ATOM 898 CB VAL A 54 2.672 11.164 -3.547 1.00 74.21 C ATOM 899 CG1 VAL A 54 2.762 11.349 -2.040 1.00 2.32 C ATOM 900 CG2 VAL A 54 1.240 11.347 -4.029 1.00 44.55 C ATOM 0 H VAL A 54 3.609 10.749 -5.837 1.00 12.03 H new ATOM 0 HA VAL A 54 3.134 13.119 -4.336 1.00 41.41 H new ATOM 0 HB VAL A 54 2.984 10.147 -3.783 1.00 74.21 H new ATOM 0 HG11 VAL A 54 2.088 10.648 -1.547 1.00 2.32 H new ATOM 0 HG12 VAL A 54 3.784 11.163 -1.711 1.00 2.32 H new ATOM 0 HG13 VAL A 54 2.478 12.369 -1.781 1.00 2.32 H new ATOM 0 HG21 VAL A 54 0.588 10.647 -3.507 1.00 44.55 H new ATOM 0 HG22 VAL A 54 0.915 12.367 -3.825 1.00 44.55 H new ATOM 0 HG23 VAL A 54 1.190 11.158 -5.101 1.00 44.55 H new ATOM 910 N CYS A 55 5.916 11.496 -3.861 1.00 14.32 N ATOM 911 CA CYS A 55 7.205 11.522 -3.182 1.00 71.10 C ATOM 912 C CYS A 55 8.049 12.701 -3.661 1.00 24.41 C ATOM 913 O CYS A 55 9.129 12.959 -3.132 1.00 31.42 O ATOM 914 CB CYS A 55 7.957 10.211 -3.422 1.00 50.52 C ATOM 915 SG CYS A 55 9.535 10.084 -2.521 1.00 33.03 S ATOM 0 H CYS A 55 5.865 10.843 -4.643 1.00 14.32 H new ATOM 0 HA CYS A 55 7.023 11.639 -2.114 1.00 71.10 H new ATOM 0 HB2 CYS A 55 7.316 9.379 -3.131 1.00 50.52 H new ATOM 0 HB3 CYS A 55 8.151 10.106 -4.489 1.00 50.52 H new ATOM 920 N GLY A 56 7.546 13.411 -4.665 1.00 60.42 N ATOM 921 CA GLY A 56 8.265 14.553 -5.199 1.00 43.44 C ATOM 922 C GLY A 56 7.893 15.848 -4.506 1.00 45.42 C ATOM 923 O GLY A 56 8.367 16.920 -4.883 1.00 11.24 O ATOM 0 H GLY A 56 6.653 13.216 -5.119 1.00 60.42 H new ATOM 0 HA2 GLY A 56 9.337 14.384 -5.096 1.00 43.44 H new ATOM 0 HA3 GLY A 56 8.058 14.643 -6.265 1.00 43.44 H new ATOM 927 N ASN A 57 7.041 15.751 -3.491 1.00 3.34 N ATOM 928 CA ASN A 57 6.604 16.925 -2.744 1.00 75.14 C ATOM 929 C ASN A 57 7.373 17.054 -1.433 1.00 34.40 C ATOM 930 O ASN A 57 8.026 16.109 -0.990 1.00 71.44 O ATOM 931 CB ASN A 57 5.102 16.846 -2.463 1.00 32.44 C ATOM 932 CG ASN A 57 4.286 16.644 -3.725 1.00 50.22 C ATOM 933 OD1 ASN A 57 4.742 16.953 -4.827 1.00 31.52 O ATOM 934 ND2 ASN A 57 3.075 16.124 -3.570 1.00 73.23 N ATOM 0 H ASN A 57 6.639 14.871 -3.167 1.00 3.34 H new ATOM 0 HA ASN A 57 6.807 17.807 -3.351 1.00 75.14 H new ATOM 0 HB2 ASN A 57 4.907 16.025 -1.773 1.00 32.44 H new ATOM 0 HB3 ASN A 57 4.779 17.762 -1.968 1.00 32.44 H new ATOM 0 HD21 ASN A 57 2.480 15.965 -4.383 1.00 73.23 H new ATOM 0 HD22 ASN A 57 2.739 15.883 -2.638 1.00 73.23 H new ATOM 941 N GLN A 58 7.287 18.228 -0.816 1.00 0.13 N ATOM 942 CA GLN A 58 7.976 18.480 0.444 1.00 32.44 C ATOM 943 C GLN A 58 7.763 17.327 1.420 1.00 34.41 C ATOM 944 O GLN A 58 6.671 17.152 1.962 1.00 5.21 O ATOM 945 CB GLN A 58 7.482 19.787 1.067 1.00 53.40 C ATOM 946 CG GLN A 58 7.990 20.018 2.481 1.00 41.23 C ATOM 947 CD GLN A 58 9.380 20.622 2.509 1.00 4.14 C ATOM 948 OE1 GLN A 58 9.579 21.772 2.117 1.00 21.40 O ATOM 949 NE2 GLN A 58 10.353 19.847 2.977 1.00 3.02 N ATOM 0 H GLN A 58 6.748 19.019 -1.168 1.00 0.13 H new ATOM 0 HA GLN A 58 9.043 18.565 0.235 1.00 32.44 H new ATOM 0 HB2 GLN A 58 7.794 20.620 0.437 1.00 53.40 H new ATOM 0 HB3 GLN A 58 6.392 19.786 1.077 1.00 53.40 H new ATOM 0 HG2 GLN A 58 7.300 20.678 3.008 1.00 41.23 H new ATOM 0 HG3 GLN A 58 7.999 19.070 3.019 1.00 41.23 H new ATOM 0 HE21 GLN A 58 10.144 18.900 3.292 1.00 3.02 H new ATOM 0 HE22 GLN A 58 11.309 20.200 3.022 1.00 3.02 H new ATOM 958 N SER A 59 8.813 16.542 1.639 1.00 3.12 N ATOM 959 CA SER A 59 8.740 15.402 2.546 1.00 10.35 C ATOM 960 C SER A 59 8.551 15.867 3.987 1.00 20.05 C ATOM 961 O SER A 59 8.703 17.049 4.294 1.00 35.01 O ATOM 962 CB SER A 59 10.008 14.553 2.434 1.00 3.13 C ATOM 963 OG SER A 59 11.125 15.229 2.985 1.00 1.00 O ATOM 0 H SER A 59 9.725 16.674 1.201 1.00 3.12 H new ATOM 0 HA SER A 59 7.880 14.796 2.262 1.00 10.35 H new ATOM 0 HB2 SER A 59 9.861 13.605 2.951 1.00 3.13 H new ATOM 0 HB3 SER A 59 10.201 14.318 1.387 1.00 3.13 H new ATOM 0 HG SER A 59 11.922 14.665 2.903 1.00 1.00 H new ATOM 969 N ILE A 60 8.219 14.927 4.866 1.00 14.31 N ATOM 970 CA ILE A 60 8.010 15.238 6.274 1.00 52.43 C ATOM 971 C ILE A 60 8.374 14.052 7.160 1.00 12.43 C ATOM 972 O ILE A 60 8.768 12.995 6.667 1.00 21.23 O ATOM 973 CB ILE A 60 6.549 15.642 6.551 1.00 32.14 C ATOM 974 CG1 ILE A 60 5.608 14.932 5.575 1.00 31.32 C ATOM 975 CG2 ILE A 60 6.388 17.151 6.447 1.00 34.15 C ATOM 976 CD1 ILE A 60 4.193 14.797 6.092 1.00 53.34 C ATOM 0 H ILE A 60 8.089 13.944 4.627 1.00 14.31 H new ATOM 0 HA ILE A 60 8.662 16.079 6.511 1.00 52.43 H new ATOM 0 HB ILE A 60 6.289 15.338 7.565 1.00 32.14 H new ATOM 0 HG12 ILE A 60 5.592 15.481 4.634 1.00 31.32 H new ATOM 0 HG13 ILE A 60 6.003 13.940 5.358 1.00 31.32 H new ATOM 0 HG21 ILE A 60 5.351 17.421 6.645 1.00 34.15 H new ATOM 0 HG22 ILE A 60 7.035 17.637 7.177 1.00 34.15 H new ATOM 0 HG23 ILE A 60 6.663 17.478 5.444 1.00 34.15 H new ATOM 0 HD11 ILE A 60 3.582 14.285 5.349 1.00 53.34 H new ATOM 0 HD12 ILE A 60 4.197 14.222 7.018 1.00 53.34 H new ATOM 0 HD13 ILE A 60 3.779 15.787 6.282 1.00 53.34 H new ATOM 988 N ARG A 61 8.238 14.235 8.469 1.00 3.13 N ATOM 989 CA ARG A 61 8.553 13.179 9.425 1.00 72.40 C ATOM 990 C ARG A 61 7.481 12.093 9.407 1.00 63.30 C ATOM 991 O ARG A 61 6.298 12.370 9.609 1.00 4.12 O ATOM 992 CB ARG A 61 8.684 13.759 10.834 1.00 53.35 C ATOM 993 CG ARG A 61 9.896 14.657 11.013 1.00 51.54 C ATOM 994 CD ARG A 61 10.379 14.662 12.454 1.00 0.22 C ATOM 995 NE ARG A 61 9.441 15.340 13.344 1.00 13.14 N ATOM 996 CZ ARG A 61 9.252 16.655 13.349 1.00 75.34 C ATOM 997 NH1 ARG A 61 9.933 17.430 12.515 1.00 24.54 N ATOM 998 NH2 ARG A 61 8.379 17.198 14.187 1.00 14.24 N ATOM 0 H ARG A 61 7.912 15.104 8.892 1.00 3.13 H new ATOM 0 HA ARG A 61 9.504 12.732 9.135 1.00 72.40 H new ATOM 0 HB2 ARG A 61 7.784 14.327 11.069 1.00 53.35 H new ATOM 0 HB3 ARG A 61 8.740 12.940 11.551 1.00 53.35 H new ATOM 0 HG2 ARG A 61 10.700 14.318 10.360 1.00 51.54 H new ATOM 0 HG3 ARG A 61 9.645 15.673 10.709 1.00 51.54 H new ATOM 0 HD2 ARG A 61 10.522 13.636 12.792 1.00 0.22 H new ATOM 0 HD3 ARG A 61 11.350 15.154 12.509 1.00 0.22 H new ATOM 0 HE ARG A 61 8.901 14.773 13.998 1.00 13.14 H new ATOM 0 HH11 ARG A 61 10.604 17.017 11.867 1.00 24.54 H new ATOM 0 HH12 ARG A 61 9.786 18.439 12.521 1.00 24.54 H new ATOM 0 HH21 ARG A 61 7.852 16.606 14.829 1.00 14.24 H new ATOM 0 HH22 ARG A 61 8.235 18.208 14.190 1.00 14.24 H new ATOM 1012 N CYS A 62 7.902 10.857 9.163 1.00 31.12 N ATOM 1013 CA CYS A 62 6.980 9.728 9.118 1.00 55.51 C ATOM 1014 C CYS A 62 6.561 9.312 10.526 1.00 54.33 C ATOM 1015 O CYS A 62 7.320 9.430 11.487 1.00 42.21 O ATOM 1016 CB CYS A 62 7.624 8.544 8.395 1.00 51.31 C ATOM 1017 SG CYS A 62 8.838 9.022 7.123 1.00 62.51 S ATOM 0 H CYS A 62 8.877 10.611 8.993 1.00 31.12 H new ATOM 0 HA CYS A 62 6.091 10.039 8.570 1.00 55.51 H new ATOM 0 HB2 CYS A 62 8.115 7.907 9.130 1.00 51.31 H new ATOM 0 HB3 CYS A 62 6.841 7.947 7.928 1.00 51.31 H new ATOM 1022 N PRO A 63 5.322 8.813 10.650 1.00 11.33 N ATOM 1023 CA PRO A 63 4.773 8.368 11.935 1.00 24.00 C ATOM 1024 C PRO A 63 5.443 7.095 12.441 1.00 24.13 C ATOM 1025 O PRO A 63 5.587 6.895 13.648 1.00 21.03 O ATOM 1026 CB PRO A 63 3.299 8.106 11.619 1.00 34.21 C ATOM 1027 CG PRO A 63 3.270 7.811 10.160 1.00 25.22 C ATOM 1028 CD PRO A 63 4.362 8.644 9.547 1.00 21.20 C ATOM 0 HA PRO A 63 4.930 9.105 12.723 1.00 24.00 H new ATOM 0 HB2 PRO A 63 2.913 7.268 12.200 1.00 34.21 H new ATOM 0 HB3 PRO A 63 2.683 8.972 11.860 1.00 34.21 H new ATOM 0 HG2 PRO A 63 3.437 6.750 9.973 1.00 25.22 H new ATOM 0 HG3 PRO A 63 2.300 8.062 9.730 1.00 25.22 H new ATOM 0 HD2 PRO A 63 4.817 8.144 8.692 1.00 21.20 H new ATOM 0 HD3 PRO A 63 3.985 9.603 9.192 1.00 21.20 H new ATOM 1036 N HIS A 64 5.853 6.237 11.513 1.00 52.03 N ATOM 1037 CA HIS A 64 6.510 4.983 11.866 1.00 34.21 C ATOM 1038 C HIS A 64 7.867 5.244 12.510 1.00 2.43 C ATOM 1039 O HIS A 64 8.393 4.400 13.235 1.00 60.22 O ATOM 1040 CB HIS A 64 6.680 4.106 10.626 1.00 44.32 C ATOM 1041 CG HIS A 64 7.867 3.195 10.696 1.00 24.43 C ATOM 1042 ND1 HIS A 64 9.194 3.467 10.708 1.00 60.42 N flip ATOM 1043 CD2 HIS A 64 7.759 1.822 10.763 1.00 31.11 C flip ATOM 1044 CE1 HIS A 64 9.855 2.266 10.783 1.00 13.01 C flip ATOM 1045 NE2 HIS A 64 8.967 1.289 10.815 1.00 64.34 N flip ATOM 0 H HIS A 64 5.742 6.387 10.510 1.00 52.03 H new ATOM 0 HA HIS A 64 5.881 4.461 12.587 1.00 34.21 H new ATOM 0 HB2 HIS A 64 5.780 3.507 10.488 1.00 44.32 H new ATOM 0 HB3 HIS A 64 6.774 4.746 9.749 1.00 44.32 H new ATOM 0 HD2 HIS A 64 6.832 1.269 10.772 1.00 31.11 H new ATOM 0 HE1 HIS A 64 10.927 2.141 10.811 1.00 13.01 H new ATOM 0 HE2 HIS A 64 9.178 0.293 10.870 1.00 64.34 H new ATOM 1054 N ASN A 65 8.430 6.418 12.241 1.00 30.35 N ATOM 1055 CA ASN A 65 9.727 6.789 12.795 1.00 75.02 C ATOM 1056 C ASN A 65 9.772 8.278 13.124 1.00 51.30 C ATOM 1057 O ASN A 65 9.605 9.124 12.245 1.00 43.11 O ATOM 1058 CB ASN A 65 10.844 6.439 11.809 1.00 61.02 C ATOM 1059 CG ASN A 65 10.524 6.876 10.393 1.00 34.43 C ATOM 1060 OD1 ASN A 65 10.762 5.990 9.433 1.00 31.33 O flip ATOM 1061 ND2 ASN A 65 10.065 7.996 10.165 1.00 41.42 N flip ATOM 0 H ASN A 65 8.008 7.128 11.643 1.00 30.35 H new ATOM 0 HA ASN A 65 9.875 6.227 13.717 1.00 75.02 H new ATOM 0 HB2 ASN A 65 11.771 6.913 12.132 1.00 61.02 H new ATOM 0 HB3 ASN A 65 11.014 5.362 11.824 1.00 61.02 H new ATOM 0 HD21 ASN A 65 9.898 8.645 10.934 1.00 41.42 H new ATOM 0 HD22 ASN A 65 9.852 8.275 9.207 1.00 41.42 H new ATOM 1068 N ARG A 66 10.000 8.590 14.396 1.00 74.25 N ATOM 1069 CA ARG A 66 10.066 9.977 14.841 1.00 40.13 C ATOM 1070 C ARG A 66 11.442 10.573 14.559 1.00 1.44 C ATOM 1071 O ARG A 66 11.801 11.618 15.103 1.00 45.21 O ATOM 1072 CB ARG A 66 9.754 10.070 16.336 1.00 4.30 C ATOM 1073 CG ARG A 66 10.966 9.844 17.226 1.00 42.53 C ATOM 1074 CD ARG A 66 10.576 9.791 18.694 1.00 2.14 C ATOM 1075 NE ARG A 66 11.697 9.401 19.544 1.00 24.32 N ATOM 1076 CZ ARG A 66 11.716 9.573 20.862 1.00 21.21 C ATOM 1077 NH1 ARG A 66 10.680 10.126 21.476 1.00 71.32 N ATOM 1078 NH2 ARG A 66 12.774 9.192 21.567 1.00 71.33 N ATOM 0 H ARG A 66 10.142 7.902 15.136 1.00 74.25 H new ATOM 0 HA ARG A 66 9.322 10.547 14.285 1.00 40.13 H new ATOM 0 HB2 ARG A 66 9.334 11.053 16.551 1.00 4.30 H new ATOM 0 HB3 ARG A 66 8.989 9.335 16.585 1.00 4.30 H new ATOM 0 HG2 ARG A 66 11.457 8.912 16.945 1.00 42.53 H new ATOM 0 HG3 ARG A 66 11.689 10.645 17.069 1.00 42.53 H new ATOM 0 HD2 ARG A 66 10.207 10.768 19.006 1.00 2.14 H new ATOM 0 HD3 ARG A 66 9.757 9.084 18.826 1.00 2.14 H new ATOM 0 HE ARG A 66 12.511 8.973 19.102 1.00 24.32 H new ATOM 0 HH11 ARG A 66 9.866 10.421 20.937 1.00 71.32 H new ATOM 0 HH12 ARG A 66 10.697 10.257 22.487 1.00 71.32 H new ATOM 0 HH21 ARG A 66 13.573 8.767 21.098 1.00 71.33 H new ATOM 0 HH22 ARG A 66 12.788 9.324 22.578 1.00 71.33 H new ATOM 1092 N THR A 67 12.209 9.901 13.706 1.00 71.31 N ATOM 1093 CA THR A 67 13.546 10.363 13.353 1.00 13.02 C ATOM 1094 C THR A 67 13.757 10.336 11.844 1.00 34.04 C ATOM 1095 O THR A 67 14.116 11.347 11.239 1.00 45.02 O ATOM 1096 CB THR A 67 14.633 9.504 14.027 1.00 63.42 C ATOM 1097 OG1 THR A 67 15.913 9.799 13.458 1.00 14.51 O ATOM 1098 CG2 THR A 67 14.329 8.022 13.864 1.00 25.11 C ATOM 0 H THR A 67 11.927 9.035 13.247 1.00 71.31 H new ATOM 0 HA THR A 67 13.630 11.389 13.710 1.00 13.02 H new ATOM 0 HB THR A 67 14.646 9.742 15.091 1.00 63.42 H new ATOM 0 HG1 THR A 67 16.599 9.250 13.893 1.00 14.51 H new ATOM 0 HG21 THR A 67 15.110 7.435 14.348 1.00 25.11 H new ATOM 0 HG22 THR A 67 13.367 7.795 14.324 1.00 25.11 H new ATOM 0 HG23 THR A 67 14.292 7.773 12.804 1.00 25.11 H new ATOM 1106 N LEU A 68 13.529 9.175 11.240 1.00 34.22 N ATOM 1107 CA LEU A 68 13.693 9.017 9.800 1.00 60.33 C ATOM 1108 C LEU A 68 12.627 9.801 9.040 1.00 1.01 C ATOM 1109 O LEU A 68 11.458 9.808 9.422 1.00 73.52 O ATOM 1110 CB LEU A 68 13.621 7.537 9.417 1.00 2.11 C ATOM 1111 CG LEU A 68 14.437 7.119 8.193 1.00 55.31 C ATOM 1112 CD1 LEU A 68 14.568 5.606 8.129 1.00 15.44 C ATOM 1113 CD2 LEU A 68 13.798 7.655 6.920 1.00 40.12 C ATOM 0 H LEU A 68 13.230 8.329 11.726 1.00 34.22 H new ATOM 0 HA LEU A 68 14.672 9.411 9.527 1.00 60.33 H new ATOM 0 HB2 LEU A 68 13.954 6.945 10.270 1.00 2.11 H new ATOM 0 HB3 LEU A 68 12.577 7.279 9.238 1.00 2.11 H new ATOM 0 HG LEU A 68 15.436 7.545 8.283 1.00 55.31 H new ATOM 0 HD11 LEU A 68 15.152 5.328 7.251 1.00 15.44 H new ATOM 0 HD12 LEU A 68 15.069 5.246 9.027 1.00 15.44 H new ATOM 0 HD13 LEU A 68 13.577 5.157 8.062 1.00 15.44 H new ATOM 0 HD21 LEU A 68 14.391 7.349 6.058 1.00 40.12 H new ATOM 0 HD22 LEU A 68 12.788 7.258 6.825 1.00 40.12 H new ATOM 0 HD23 LEU A 68 13.757 8.743 6.964 1.00 40.12 H new ATOM 1125 N ASN A 69 13.040 10.461 7.963 1.00 23.44 N ATOM 1126 CA ASN A 69 12.121 11.247 7.149 1.00 55.24 C ATOM 1127 C ASN A 69 12.289 10.921 5.669 1.00 64.23 C ATOM 1128 O ASN A 69 12.756 11.750 4.889 1.00 13.22 O ATOM 1129 CB ASN A 69 12.352 12.742 7.382 1.00 14.15 C ATOM 1130 CG ASN A 69 13.824 13.104 7.400 1.00 54.33 C ATOM 1131 OD1 ASN A 69 14.581 12.634 8.248 1.00 33.31 O ATOM 1132 ND2 ASN A 69 14.236 13.946 6.459 1.00 14.23 N ATOM 0 H ASN A 69 14.005 10.467 7.634 1.00 23.44 H new ATOM 0 HA ASN A 69 11.104 10.992 7.446 1.00 55.24 H new ATOM 0 HB2 ASN A 69 11.850 13.311 6.599 1.00 14.15 H new ATOM 0 HB3 ASN A 69 11.897 13.034 8.329 1.00 14.15 H new ATOM 0 HD21 ASN A 69 15.216 14.227 6.420 1.00 14.23 H new ATOM 0 HD22 ASN A 69 13.573 14.311 5.776 1.00 14.23 H new ATOM 1139 N ASN A 70 11.906 9.707 5.288 1.00 60.01 N ATOM 1140 CA ASN A 70 12.014 9.270 3.901 1.00 0.50 C ATOM 1141 C ASN A 70 10.635 9.012 3.302 1.00 21.33 C ATOM 1142 O ASN A 70 10.499 8.282 2.320 1.00 22.14 O ATOM 1143 CB ASN A 70 12.868 8.004 3.809 1.00 74.25 C ATOM 1144 CG ASN A 70 14.352 8.310 3.761 1.00 44.54 C ATOM 1145 OD1 ASN A 70 14.826 9.248 4.403 1.00 33.14 O ATOM 1146 ND2 ASN A 70 15.095 7.518 2.996 1.00 24.31 N ATOM 0 H ASN A 70 11.518 9.008 5.921 1.00 60.01 H new ATOM 0 HA ASN A 70 12.494 10.066 3.332 1.00 0.50 H new ATOM 0 HB2 ASN A 70 12.659 7.365 4.667 1.00 74.25 H new ATOM 0 HB3 ASN A 70 12.586 7.443 2.918 1.00 74.25 H new ATOM 0 HD21 ASN A 70 16.100 7.676 2.923 1.00 24.31 H new ATOM 0 HD22 ASN A 70 14.660 6.752 2.481 1.00 24.31 H new ATOM 1153 N CYS A 71 9.614 9.617 3.901 1.00 22.31 N ATOM 1154 CA CYS A 71 8.244 9.453 3.427 1.00 23.03 C ATOM 1155 C CYS A 71 7.641 10.798 3.034 1.00 11.53 C ATOM 1156 O CYS A 71 8.213 11.852 3.310 1.00 43.42 O ATOM 1157 CB CYS A 71 7.385 8.792 4.508 1.00 50.03 C ATOM 1158 SG CYS A 71 8.307 7.670 5.608 1.00 2.11 S ATOM 0 H CYS A 71 9.709 10.225 4.715 1.00 22.31 H new ATOM 0 HA CYS A 71 8.264 8.812 2.546 1.00 23.03 H new ATOM 0 HB2 CYS A 71 6.916 9.570 5.111 1.00 50.03 H new ATOM 0 HB3 CYS A 71 6.582 8.233 4.028 1.00 50.03 H new ATOM 1163 N HIS A 72 6.480 10.753 2.389 1.00 13.31 N ATOM 1164 CA HIS A 72 5.796 11.968 1.958 1.00 1.41 C ATOM 1165 C HIS A 72 4.283 11.789 2.016 1.00 55.14 C ATOM 1166 O HIS A 72 3.771 10.684 1.833 1.00 53.42 O ATOM 1167 CB HIS A 72 6.224 12.344 0.540 1.00 65.42 C ATOM 1168 CG HIS A 72 7.695 12.191 0.297 1.00 34.34 C ATOM 1169 ND1 HIS A 72 8.487 13.208 -0.191 1.00 60.21 N ATOM 1170 CD2 HIS A 72 8.516 11.130 0.480 1.00 3.44 C ATOM 1171 CE1 HIS A 72 9.732 12.780 -0.300 1.00 11.23 C ATOM 1172 NE2 HIS A 72 9.777 11.522 0.102 1.00 40.22 N ATOM 0 H HIS A 72 5.993 9.889 2.153 1.00 13.31 H new ATOM 0 HA HIS A 72 6.075 12.773 2.638 1.00 1.41 H new ATOM 0 HB2 HIS A 72 5.680 11.723 -0.172 1.00 65.42 H new ATOM 0 HB3 HIS A 72 5.938 13.377 0.345 1.00 65.42 H new ATOM 0 HD1 HIS A 72 8.162 14.145 -0.431 1.00 60.21 H new ATOM 0 HD2 HIS A 72 8.232 10.157 0.853 1.00 3.44 H new ATOM 0 HE1 HIS A 72 10.570 13.360 -0.657 1.00 11.23 H new ATOM 0 HE2 HIS A 72 10.612 10.937 0.127 1.00 40.22 H new ATOM 1181 N ARG A 73 3.571 12.883 2.271 1.00 64.34 N ATOM 1182 CA ARG A 73 2.117 12.847 2.353 1.00 21.22 C ATOM 1183 C ARG A 73 1.486 13.383 1.071 1.00 34.12 C ATOM 1184 O ARG A 73 1.763 14.508 0.655 1.00 32.10 O ATOM 1185 CB ARG A 73 1.632 13.663 3.553 1.00 25.30 C ATOM 1186 CG ARG A 73 0.294 13.198 4.104 1.00 13.20 C ATOM 1187 CD ARG A 73 -0.289 14.212 5.077 1.00 71.33 C ATOM 1188 NE ARG A 73 -0.538 15.502 4.440 1.00 73.43 N ATOM 1189 CZ ARG A 73 -1.431 16.380 4.882 1.00 33.44 C ATOM 1190 NH1 ARG A 73 -2.155 16.108 5.960 1.00 53.11 N ATOM 1191 NH2 ARG A 73 -1.600 17.533 4.248 1.00 34.53 N ATOM 0 H ARG A 73 3.979 13.805 2.424 1.00 64.34 H new ATOM 0 HA ARG A 73 1.811 11.809 2.481 1.00 21.22 H new ATOM 0 HB2 ARG A 73 2.380 13.609 4.344 1.00 25.30 H new ATOM 0 HB3 ARG A 73 1.551 14.710 3.261 1.00 25.30 H new ATOM 0 HG2 ARG A 73 -0.404 13.038 3.282 1.00 13.20 H new ATOM 0 HG3 ARG A 73 0.420 12.239 4.607 1.00 13.20 H new ATOM 0 HD2 ARG A 73 -1.221 13.825 5.488 1.00 71.33 H new ATOM 0 HD3 ARG A 73 0.397 14.347 5.914 1.00 71.33 H new ATOM 0 HE ARG A 73 0.004 15.742 3.610 1.00 73.43 H new ATOM 0 HH11 ARG A 73 -2.026 15.223 6.451 1.00 53.11 H new ATOM 0 HH12 ARG A 73 -2.840 16.784 6.298 1.00 53.11 H new ATOM 0 HH21 ARG A 73 -1.044 17.746 3.420 1.00 34.53 H new ATOM 0 HH22 ARG A 73 -2.286 18.206 4.589 1.00 34.53 H new ATOM 1205 N SER A 74 0.637 12.571 0.451 1.00 34.32 N ATOM 1206 CA SER A 74 -0.031 12.962 -0.786 1.00 43.50 C ATOM 1207 C SER A 74 -0.766 14.288 -0.610 1.00 71.55 C ATOM 1208 O SER A 74 -1.628 14.422 0.259 1.00 65.23 O ATOM 1209 CB SER A 74 -1.014 11.875 -1.225 1.00 70.33 C ATOM 1210 OG SER A 74 -2.297 12.090 -0.665 1.00 12.54 O ATOM 0 H SER A 74 0.395 11.638 0.784 1.00 34.32 H new ATOM 0 HA SER A 74 0.729 13.087 -1.557 1.00 43.50 H new ATOM 0 HB2 SER A 74 -1.086 11.863 -2.313 1.00 70.33 H new ATOM 0 HB3 SER A 74 -0.640 10.898 -0.920 1.00 70.33 H new ATOM 0 HG SER A 74 -2.880 12.508 -1.333 1.00 12.54 H new ATOM 1216 N ARG A 75 -0.419 15.264 -1.443 1.00 3.24 N ATOM 1217 CA ARG A 75 -1.043 16.579 -1.380 1.00 73.01 C ATOM 1218 C ARG A 75 -2.518 16.500 -1.766 1.00 42.23 C ATOM 1219 O ARG A 75 -3.379 17.060 -1.088 1.00 32.12 O ATOM 1220 CB ARG A 75 -0.315 17.558 -2.303 1.00 23.32 C ATOM 1221 CG ARG A 75 -0.489 17.246 -3.780 1.00 24.34 C ATOM 1222 CD ARG A 75 0.566 17.945 -4.625 1.00 15.42 C ATOM 1223 NE ARG A 75 0.449 19.399 -4.553 1.00 32.42 N ATOM 1224 CZ ARG A 75 1.199 20.233 -5.264 1.00 14.22 C ATOM 1225 NH1 ARG A 75 2.115 19.759 -6.097 1.00 12.44 N ATOM 1226 NH2 ARG A 75 1.032 21.544 -5.143 1.00 42.20 N ATOM 0 H ARG A 75 0.291 15.168 -2.169 1.00 3.24 H new ATOM 0 HA ARG A 75 -0.972 16.938 -0.353 1.00 73.01 H new ATOM 0 HB2 ARG A 75 -0.679 18.567 -2.108 1.00 23.32 H new ATOM 0 HB3 ARG A 75 0.748 17.550 -2.061 1.00 23.32 H new ATOM 0 HG2 ARG A 75 -0.426 16.169 -3.935 1.00 24.34 H new ATOM 0 HG3 ARG A 75 -1.482 17.558 -4.104 1.00 24.34 H new ATOM 0 HD2 ARG A 75 1.558 17.644 -4.288 1.00 15.42 H new ATOM 0 HD3 ARG A 75 0.470 17.624 -5.662 1.00 15.42 H new ATOM 0 HE ARG A 75 -0.247 19.796 -3.922 1.00 32.42 H new ATOM 0 HH11 ARG A 75 2.245 18.752 -6.193 1.00 12.44 H new ATOM 0 HH12 ARG A 75 2.690 20.401 -6.642 1.00 12.44 H new ATOM 0 HH21 ARG A 75 0.327 21.911 -4.504 1.00 42.20 H new ATOM 0 HH22 ARG A 75 1.608 22.184 -5.689 1.00 42.20 H new ATOM 1240 N PHE A 76 -2.800 15.802 -2.862 1.00 1.35 N ATOM 1241 CA PHE A 76 -4.169 15.651 -3.339 1.00 53.15 C ATOM 1242 C PHE A 76 -4.825 14.416 -2.729 1.00 51.03 C ATOM 1243 O PHE A 76 -4.197 13.366 -2.602 1.00 23.21 O ATOM 1244 CB PHE A 76 -4.191 15.552 -4.866 1.00 21.13 C ATOM 1245 CG PHE A 76 -3.575 16.737 -5.553 1.00 0.32 C ATOM 1246 CD1 PHE A 76 -4.101 18.007 -5.377 1.00 64.13 C ATOM 1247 CD2 PHE A 76 -2.469 16.582 -6.374 1.00 31.22 C ATOM 1248 CE1 PHE A 76 -3.535 19.100 -6.007 1.00 35.11 C ATOM 1249 CE2 PHE A 76 -1.900 17.671 -7.006 1.00 15.22 C ATOM 1250 CZ PHE A 76 -2.434 18.931 -6.823 1.00 74.33 C ATOM 0 H PHE A 76 -2.099 15.333 -3.435 1.00 1.35 H new ATOM 0 HA PHE A 76 -4.734 16.531 -3.030 1.00 53.15 H new ATOM 0 HB2 PHE A 76 -3.661 14.650 -5.171 1.00 21.13 H new ATOM 0 HB3 PHE A 76 -5.223 15.444 -5.200 1.00 21.13 H new ATOM 0 HD1 PHE A 76 -4.963 18.145 -4.741 1.00 64.13 H new ATOM 0 HD2 PHE A 76 -2.047 15.599 -6.521 1.00 31.22 H new ATOM 0 HE1 PHE A 76 -3.954 20.085 -5.861 1.00 35.11 H new ATOM 0 HE2 PHE A 76 -1.038 17.537 -7.643 1.00 15.22 H new ATOM 0 HZ PHE A 76 -1.991 19.783 -7.317 1.00 74.33 H new ATOM 1260 N ARG A 77 -6.093 14.551 -2.353 1.00 54.52 N ATOM 1261 CA ARG A 77 -6.834 13.448 -1.754 1.00 64.43 C ATOM 1262 C ARG A 77 -7.333 12.484 -2.826 1.00 22.23 C ATOM 1263 O ARG A 77 -7.658 12.891 -3.941 1.00 15.22 O ATOM 1264 CB ARG A 77 -8.016 13.981 -0.942 1.00 74.44 C ATOM 1265 CG ARG A 77 -7.604 14.739 0.309 1.00 64.43 C ATOM 1266 CD ARG A 77 -7.420 16.222 0.027 1.00 32.31 C ATOM 1267 NE ARG A 77 -8.686 16.880 -0.283 1.00 54.30 N ATOM 1268 CZ ARG A 77 -8.778 18.002 -0.990 1.00 63.13 C ATOM 1269 NH1 ARG A 77 -7.683 18.584 -1.459 1.00 41.11 N ATOM 1270 NH2 ARG A 77 -9.966 18.541 -1.229 1.00 44.34 N ATOM 0 H ARG A 77 -6.628 15.414 -2.453 1.00 54.52 H new ATOM 0 HA ARG A 77 -6.160 12.908 -1.089 1.00 64.43 H new ATOM 0 HB2 ARG A 77 -8.613 14.638 -1.574 1.00 74.44 H new ATOM 0 HB3 ARG A 77 -8.655 13.146 -0.656 1.00 74.44 H new ATOM 0 HG2 ARG A 77 -8.361 14.606 1.082 1.00 64.43 H new ATOM 0 HG3 ARG A 77 -6.674 14.323 0.698 1.00 64.43 H new ATOM 0 HD2 ARG A 77 -6.964 16.702 0.893 1.00 32.31 H new ATOM 0 HD3 ARG A 77 -6.731 16.350 -0.808 1.00 32.31 H new ATOM 0 HE ARG A 77 -9.547 16.456 0.062 1.00 54.30 H new ATOM 0 HH11 ARG A 77 -6.768 18.171 -1.278 1.00 41.11 H new ATOM 0 HH12 ARG A 77 -7.755 19.445 -2.001 1.00 41.11 H new ATOM 0 HH21 ARG A 77 -10.810 18.095 -0.870 1.00 44.34 H new ATOM 0 HH22 ARG A 77 -10.036 19.402 -1.772 1.00 44.34 H new ATOM 1284 N VAL A 78 -7.389 11.201 -2.481 1.00 32.10 N ATOM 1285 CA VAL A 78 -7.849 10.178 -3.412 1.00 41.20 C ATOM 1286 C VAL A 78 -8.674 9.114 -2.697 1.00 61.13 C ATOM 1287 O VAL A 78 -8.486 8.839 -1.512 1.00 55.51 O ATOM 1288 CB VAL A 78 -6.666 9.498 -4.128 1.00 52.51 C ATOM 1289 CG1 VAL A 78 -5.598 10.522 -4.484 1.00 30.31 C ATOM 1290 CG2 VAL A 78 -6.085 8.390 -3.263 1.00 33.53 C ATOM 0 H VAL A 78 -7.121 10.846 -1.563 1.00 32.10 H new ATOM 0 HA VAL A 78 -8.472 10.681 -4.151 1.00 41.20 H new ATOM 0 HB VAL A 78 -7.032 9.052 -5.053 1.00 52.51 H new ATOM 0 HG11 VAL A 78 -4.770 10.024 -4.989 1.00 30.31 H new ATOM 0 HG12 VAL A 78 -6.024 11.277 -5.144 1.00 30.31 H new ATOM 0 HG13 VAL A 78 -5.234 10.999 -3.574 1.00 30.31 H new ATOM 0 HG21 VAL A 78 -5.251 7.921 -3.784 1.00 33.53 H new ATOM 0 HG22 VAL A 78 -5.734 8.810 -2.321 1.00 33.53 H new ATOM 0 HG23 VAL A 78 -6.854 7.644 -3.063 1.00 33.53 H new ATOM 1300 N PRO A 79 -9.611 8.499 -3.433 1.00 2.12 N ATOM 1301 CA PRO A 79 -10.485 7.454 -2.890 1.00 63.14 C ATOM 1302 C PRO A 79 -9.729 6.162 -2.594 1.00 74.04 C ATOM 1303 O PRO A 79 -9.405 5.398 -3.505 1.00 35.53 O ATOM 1304 CB PRO A 79 -11.508 7.231 -4.006 1.00 70.04 C ATOM 1305 CG PRO A 79 -10.807 7.652 -5.252 1.00 2.02 C ATOM 1306 CD PRO A 79 -9.890 8.775 -4.852 1.00 61.44 C ATOM 0 HA PRO A 79 -10.929 7.748 -1.939 1.00 63.14 H new ATOM 0 HB2 PRO A 79 -11.815 6.187 -4.058 1.00 70.04 H new ATOM 0 HB3 PRO A 79 -12.410 7.821 -3.840 1.00 70.04 H new ATOM 0 HG2 PRO A 79 -10.245 6.823 -5.682 1.00 2.02 H new ATOM 0 HG3 PRO A 79 -11.519 7.981 -6.009 1.00 2.02 H new ATOM 0 HD2 PRO A 79 -8.977 8.780 -5.447 1.00 61.44 H new ATOM 0 HD3 PRO A 79 -10.363 9.748 -4.987 1.00 61.44 H new ATOM 1314 N LEU A 80 -9.451 5.925 -1.318 1.00 25.41 N ATOM 1315 CA LEU A 80 -8.733 4.725 -0.902 1.00 33.34 C ATOM 1316 C LEU A 80 -9.702 3.651 -0.418 1.00 71.23 C ATOM 1317 O LEU A 80 -10.903 3.895 -0.289 1.00 30.22 O ATOM 1318 CB LEU A 80 -7.734 5.063 0.206 1.00 62.52 C ATOM 1319 CG LEU A 80 -8.309 5.760 1.439 1.00 22.13 C ATOM 1320 CD1 LEU A 80 -9.511 4.997 1.973 1.00 73.45 C ATOM 1321 CD2 LEU A 80 -7.244 5.902 2.517 1.00 31.32 C ATOM 0 H LEU A 80 -9.711 6.547 -0.553 1.00 25.41 H new ATOM 0 HA LEU A 80 -8.192 4.338 -1.765 1.00 33.34 H new ATOM 0 HB2 LEU A 80 -7.252 4.140 0.527 1.00 62.52 H new ATOM 0 HB3 LEU A 80 -6.956 5.699 -0.216 1.00 62.52 H new ATOM 0 HG LEU A 80 -8.638 6.757 1.147 1.00 22.13 H new ATOM 0 HD11 LEU A 80 -9.906 5.509 2.851 1.00 73.45 H new ATOM 0 HD12 LEU A 80 -10.282 4.948 1.204 1.00 73.45 H new ATOM 0 HD13 LEU A 80 -9.208 3.987 2.248 1.00 73.45 H new ATOM 0 HD21 LEU A 80 -7.671 6.400 3.387 1.00 31.32 H new ATOM 0 HD22 LEU A 80 -6.884 4.914 2.805 1.00 31.32 H new ATOM 0 HD23 LEU A 80 -6.413 6.493 2.132 1.00 31.32 H new ATOM 1333 N LEU A 81 -9.174 2.461 -0.150 1.00 40.33 N ATOM 1334 CA LEU A 81 -9.991 1.350 0.322 1.00 13.12 C ATOM 1335 C LEU A 81 -9.373 0.706 1.559 1.00 12.51 C ATOM 1336 O LEU A 81 -8.154 0.563 1.654 1.00 70.33 O ATOM 1337 CB LEU A 81 -10.155 0.306 -0.783 1.00 65.12 C ATOM 1338 CG LEU A 81 -11.379 0.467 -1.684 1.00 42.24 C ATOM 1339 CD1 LEU A 81 -12.640 0.028 -0.957 1.00 24.02 C ATOM 1340 CD2 LEU A 81 -11.508 1.909 -2.154 1.00 30.01 C ATOM 0 H LEU A 81 -8.183 2.242 -0.252 1.00 40.33 H new ATOM 0 HA LEU A 81 -10.972 1.742 0.591 1.00 13.12 H new ATOM 0 HB2 LEU A 81 -9.263 0.326 -1.409 1.00 65.12 H new ATOM 0 HB3 LEU A 81 -10.197 -0.680 -0.320 1.00 65.12 H new ATOM 0 HG LEU A 81 -11.248 -0.170 -2.558 1.00 42.24 H new ATOM 0 HD11 LEU A 81 -13.500 0.150 -1.615 1.00 24.02 H new ATOM 0 HD12 LEU A 81 -12.548 -1.020 -0.670 1.00 24.02 H new ATOM 0 HD13 LEU A 81 -12.776 0.638 -0.064 1.00 24.02 H new ATOM 0 HD21 LEU A 81 -12.385 2.006 -2.794 1.00 30.01 H new ATOM 0 HD22 LEU A 81 -11.615 2.565 -1.290 1.00 30.01 H new ATOM 0 HD23 LEU A 81 -10.616 2.190 -2.714 1.00 30.01 H new ATOM 1352 N HIS A 82 -10.222 0.318 2.506 1.00 73.21 N ATOM 1353 CA HIS A 82 -9.760 -0.314 3.735 1.00 11.15 C ATOM 1354 C HIS A 82 -10.220 -1.767 3.807 1.00 11.11 C ATOM 1355 O HIS A 82 -11.381 -2.076 3.536 1.00 44.13 O ATOM 1356 CB HIS A 82 -10.273 0.456 4.953 1.00 22.03 C ATOM 1357 CG HIS A 82 -9.342 1.534 5.416 1.00 43.11 C ATOM 1358 ND1 HIS A 82 -8.133 1.922 4.947 1.00 32.50 N flip ATOM 1359 CD2 HIS A 82 -9.617 2.357 6.488 1.00 63.41 C flip ATOM 1360 CE1 HIS A 82 -7.704 2.961 5.734 1.00 2.25 C flip ATOM 1361 NE2 HIS A 82 -8.619 3.205 6.656 1.00 55.01 N flip ATOM 0 H HIS A 82 -11.234 0.431 2.445 1.00 73.21 H new ATOM 0 HA HIS A 82 -8.670 -0.297 3.735 1.00 11.15 H new ATOM 0 HB2 HIS A 82 -11.239 0.900 4.711 1.00 22.03 H new ATOM 0 HB3 HIS A 82 -10.440 -0.244 5.771 1.00 22.03 H new ATOM 0 HD2 HIS A 82 -10.509 2.314 7.095 1.00 63.41 H new ATOM 0 HE1 HIS A 82 -6.771 3.493 5.619 1.00 2.25 H new ATOM 0 HE2 HIS A 82 -8.564 3.926 7.375 1.00 55.01 H new ATOM 1370 N CYS A 83 -9.302 -2.656 4.172 1.00 33.32 N ATOM 1371 CA CYS A 83 -9.612 -4.076 4.277 1.00 61.20 C ATOM 1372 C CYS A 83 -9.097 -4.650 5.594 1.00 25.11 C ATOM 1373 O CYS A 83 -8.058 -5.310 5.631 1.00 44.52 O ATOM 1374 CB CYS A 83 -9.002 -4.842 3.101 1.00 2.43 C ATOM 1375 SG CYS A 83 -9.763 -4.462 1.491 1.00 54.33 S ATOM 0 H CYS A 83 -8.337 -2.417 4.400 1.00 33.32 H new ATOM 0 HA CYS A 83 -10.696 -4.188 4.251 1.00 61.20 H new ATOM 0 HB2 CYS A 83 -7.937 -4.618 3.049 1.00 2.43 H new ATOM 0 HB3 CYS A 83 -9.094 -5.911 3.291 1.00 2.43 H new ATOM 1380 N ASP A 84 -9.829 -4.393 6.672 1.00 72.33 N ATOM 1381 CA ASP A 84 -9.448 -4.884 7.991 1.00 22.24 C ATOM 1382 C ASP A 84 -9.888 -6.333 8.180 1.00 10.44 C ATOM 1383 O ASP A 84 -11.048 -6.675 7.949 1.00 61.13 O ATOM 1384 CB ASP A 84 -10.060 -4.005 9.082 1.00 23.55 C ATOM 1385 CG ASP A 84 -11.515 -3.676 8.813 1.00 72.11 C ATOM 1386 OD1 ASP A 84 -11.805 -3.111 7.739 1.00 53.34 O ATOM 1387 OD2 ASP A 84 -12.363 -3.984 9.677 1.00 72.24 O ATOM 0 H ASP A 84 -10.690 -3.847 6.658 1.00 72.33 H new ATOM 0 HA ASP A 84 -8.362 -4.841 8.068 1.00 22.24 H new ATOM 0 HB2 ASP A 84 -9.977 -4.513 10.043 1.00 23.55 H new ATOM 0 HB3 ASP A 84 -9.490 -3.079 9.161 1.00 23.55 H new ATOM 1392 N LEU A 85 -8.954 -7.178 8.601 1.00 62.51 N ATOM 1393 CA LEU A 85 -9.245 -8.592 8.820 1.00 15.32 C ATOM 1394 C LEU A 85 -10.375 -8.764 9.830 1.00 34.40 C ATOM 1395 O LEU A 85 -10.184 -8.564 11.030 1.00 62.23 O ATOM 1396 CB LEU A 85 -7.993 -9.320 9.309 1.00 20.40 C ATOM 1397 CG LEU A 85 -8.033 -10.847 9.235 1.00 70.01 C ATOM 1398 CD1 LEU A 85 -7.973 -11.313 7.788 1.00 0.43 C ATOM 1399 CD2 LEU A 85 -6.890 -11.450 10.039 1.00 24.05 C ATOM 0 H LEU A 85 -7.990 -6.910 8.798 1.00 62.51 H new ATOM 0 HA LEU A 85 -9.562 -9.025 7.871 1.00 15.32 H new ATOM 0 HB2 LEU A 85 -7.142 -8.970 8.725 1.00 20.40 H new ATOM 0 HB3 LEU A 85 -7.810 -9.031 10.344 1.00 20.40 H new ATOM 0 HG LEU A 85 -8.974 -11.188 9.667 1.00 70.01 H new ATOM 0 HD11 LEU A 85 -8.003 -12.402 7.755 1.00 0.43 H new ATOM 0 HD12 LEU A 85 -8.825 -10.910 7.240 1.00 0.43 H new ATOM 0 HD13 LEU A 85 -7.048 -10.961 7.330 1.00 0.43 H new ATOM 0 HD21 LEU A 85 -6.934 -12.537 9.975 1.00 24.05 H new ATOM 0 HD22 LEU A 85 -5.939 -11.101 9.637 1.00 24.05 H new ATOM 0 HD23 LEU A 85 -6.977 -11.144 11.082 1.00 24.05 H new ATOM 1411 N ILE A 86 -11.550 -9.138 9.337 1.00 73.44 N ATOM 1412 CA ILE A 86 -12.710 -9.341 10.197 1.00 43.33 C ATOM 1413 C ILE A 86 -12.538 -10.581 11.068 1.00 43.21 C ATOM 1414 O ILE A 86 -13.407 -10.912 11.873 1.00 71.10 O ATOM 1415 CB ILE A 86 -14.004 -9.482 9.374 1.00 55.33 C ATOM 1416 CG1 ILE A 86 -14.099 -8.361 8.336 1.00 3.52 C ATOM 1417 CG2 ILE A 86 -15.219 -9.466 10.290 1.00 62.24 C ATOM 1418 CD1 ILE A 86 -14.940 -8.722 7.133 1.00 53.15 C ATOM 0 H ILE A 86 -11.725 -9.307 8.346 1.00 73.44 H new ATOM 0 HA ILE A 86 -12.788 -8.460 10.834 1.00 43.33 H new ATOM 0 HB ILE A 86 -13.981 -10.437 8.849 1.00 55.33 H new ATOM 0 HG12 ILE A 86 -14.518 -7.473 8.809 1.00 3.52 H new ATOM 0 HG13 ILE A 86 -13.095 -8.100 8.002 1.00 3.52 H new ATOM 0 HG21 ILE A 86 -16.126 -9.567 9.693 1.00 62.24 H new ATOM 0 HG22 ILE A 86 -15.154 -10.295 10.995 1.00 62.24 H new ATOM 0 HG23 ILE A 86 -15.248 -8.525 10.839 1.00 62.24 H new ATOM 0 HD11 ILE A 86 -14.963 -7.881 6.440 1.00 53.15 H new ATOM 0 HD12 ILE A 86 -14.509 -9.591 6.636 1.00 53.15 H new ATOM 0 HD13 ILE A 86 -15.955 -8.954 7.455 1.00 53.15 H new ATOM 1430 N ASN A 87 -11.409 -11.262 10.902 1.00 43.30 N ATOM 1431 CA ASN A 87 -11.121 -12.464 11.675 1.00 32.42 C ATOM 1432 C ASN A 87 -9.837 -12.299 12.482 1.00 62.32 C ATOM 1433 O ASN A 87 -8.759 -12.736 12.076 1.00 20.25 O ATOM 1434 CB ASN A 87 -11.001 -13.675 10.747 1.00 63.51 C ATOM 1435 CG ASN A 87 -10.055 -13.424 9.588 1.00 33.22 C ATOM 1436 OD1 ASN A 87 -8.846 -13.622 9.705 1.00 22.50 O ATOM 1437 ND2 ASN A 87 -10.605 -12.985 8.461 1.00 3.21 N ATOM 0 H ASN A 87 -10.679 -11.002 10.239 1.00 43.30 H new ATOM 0 HA ASN A 87 -11.946 -12.625 12.369 1.00 32.42 H new ATOM 0 HB2 ASN A 87 -10.651 -14.534 11.319 1.00 63.51 H new ATOM 0 HB3 ASN A 87 -11.987 -13.931 10.359 1.00 63.51 H new ATOM 0 HD21 ASN A 87 -10.020 -12.798 7.647 1.00 3.21 H new ATOM 0 HD22 ASN A 87 -11.613 -12.835 8.410 1.00 3.21 H new ATOM 1444 N PRO A 88 -9.952 -11.653 13.651 1.00 2.42 N ATOM 1445 CA PRO A 88 -8.810 -11.416 14.540 1.00 72.13 C ATOM 1446 C PRO A 88 -8.303 -12.700 15.187 1.00 4.20 C ATOM 1447 O PRO A 88 -9.005 -13.328 15.979 1.00 0.23 O ATOM 1448 CB PRO A 88 -9.378 -10.470 15.601 1.00 3.44 C ATOM 1449 CG PRO A 88 -10.842 -10.747 15.611 1.00 42.42 C ATOM 1450 CD PRO A 88 -11.205 -11.105 14.197 1.00 62.12 C ATOM 0 HA PRO A 88 -7.952 -11.011 14.003 1.00 72.13 H new ATOM 0 HB2 PRO A 88 -8.933 -10.658 16.578 1.00 3.44 H new ATOM 0 HB3 PRO A 88 -9.174 -9.428 15.353 1.00 3.44 H new ATOM 0 HG2 PRO A 88 -11.080 -11.563 16.294 1.00 42.42 H new ATOM 0 HG3 PRO A 88 -11.402 -9.875 15.949 1.00 42.42 H new ATOM 0 HD2 PRO A 88 -12.012 -11.837 14.162 1.00 62.12 H new ATOM 0 HD3 PRO A 88 -11.541 -10.233 13.635 1.00 62.12 H new ATOM 1458 N GLY A 89 -7.077 -13.086 14.845 1.00 63.11 N ATOM 1459 CA GLY A 89 -6.497 -14.293 15.402 1.00 3.03 C ATOM 1460 C GLY A 89 -6.464 -15.434 14.406 1.00 62.33 C ATOM 1461 O GLY A 89 -5.925 -16.503 14.693 1.00 64.25 O ATOM 0 H GLY A 89 -6.476 -12.584 14.192 1.00 63.11 H new ATOM 0 HA2 GLY A 89 -5.483 -14.082 15.741 1.00 3.03 H new ATOM 0 HA3 GLY A 89 -7.070 -14.596 16.278 1.00 3.03 H new ATOM 1465 N ALA A 90 -7.042 -15.210 13.231 1.00 14.52 N ATOM 1466 CA ALA A 90 -7.076 -16.227 12.188 1.00 75.21 C ATOM 1467 C ALA A 90 -6.025 -15.952 11.119 1.00 70.32 C ATOM 1468 O ALA A 90 -5.855 -14.815 10.681 1.00 64.44 O ATOM 1469 CB ALA A 90 -8.462 -16.295 11.563 1.00 62.24 C ATOM 0 H ALA A 90 -7.494 -14.331 12.977 1.00 14.52 H new ATOM 0 HA ALA A 90 -6.848 -17.190 12.646 1.00 75.21 H new ATOM 0 HB1 ALA A 90 -8.473 -17.059 10.785 1.00 62.24 H new ATOM 0 HB2 ALA A 90 -9.195 -16.547 12.330 1.00 62.24 H new ATOM 0 HB3 ALA A 90 -8.712 -15.328 11.126 1.00 62.24 H new ATOM 1475 N GLN A 91 -5.321 -17.002 10.705 1.00 42.44 N ATOM 1476 CA GLN A 91 -4.284 -16.872 9.687 1.00 14.54 C ATOM 1477 C GLN A 91 -4.481 -17.897 8.576 1.00 70.11 C ATOM 1478 O GLN A 91 -3.639 -18.768 8.365 1.00 4.52 O ATOM 1479 CB GLN A 91 -2.900 -17.042 10.316 1.00 72.12 C ATOM 1480 CG GLN A 91 -2.288 -15.738 10.800 1.00 12.32 C ATOM 1481 CD GLN A 91 -1.366 -15.932 11.988 1.00 21.41 C ATOM 1482 OE1 GLN A 91 -0.265 -16.468 11.853 1.00 54.53 O ATOM 1483 NE2 GLN A 91 -1.811 -15.496 13.161 1.00 22.21 N ATOM 0 H GLN A 91 -5.450 -17.950 11.058 1.00 42.44 H new ATOM 0 HA GLN A 91 -4.358 -15.875 9.253 1.00 14.54 H new ATOM 0 HB2 GLN A 91 -2.974 -17.733 11.156 1.00 72.12 H new ATOM 0 HB3 GLN A 91 -2.232 -17.498 9.586 1.00 72.12 H new ATOM 0 HG2 GLN A 91 -1.731 -15.277 9.984 1.00 12.32 H new ATOM 0 HG3 GLN A 91 -3.085 -15.046 11.072 1.00 12.32 H new ATOM 0 HE21 GLN A 91 -2.730 -15.058 13.227 1.00 22.21 H new ATOM 0 HE22 GLN A 91 -1.234 -15.599 13.996 1.00 22.21 H new ATOM 1492 N ASN A 92 -5.600 -17.788 7.868 1.00 53.44 N ATOM 1493 CA ASN A 92 -5.908 -18.706 6.777 1.00 24.10 C ATOM 1494 C ASN A 92 -6.352 -17.944 5.533 1.00 32.11 C ATOM 1495 O ASN A 92 -7.526 -17.604 5.388 1.00 74.24 O ATOM 1496 CB ASN A 92 -7.001 -19.690 7.205 1.00 42.55 C ATOM 1497 CG ASN A 92 -6.799 -20.199 8.618 1.00 21.11 C ATOM 1498 OD1 ASN A 92 -7.287 -19.605 9.580 1.00 32.41 O ATOM 1499 ND2 ASN A 92 -6.075 -21.305 8.751 1.00 12.55 N ATOM 0 H ASN A 92 -6.309 -17.073 8.030 1.00 53.44 H new ATOM 0 HA ASN A 92 -5.002 -19.262 6.535 1.00 24.10 H new ATOM 0 HB2 ASN A 92 -7.973 -19.203 7.133 1.00 42.55 H new ATOM 0 HB3 ASN A 92 -7.016 -20.535 6.516 1.00 42.55 H new ATOM 0 HD21 ASN A 92 -5.905 -21.695 9.678 1.00 12.55 H new ATOM 0 HD22 ASN A 92 -5.690 -21.765 7.926 1.00 12.55 H new ATOM 1506 N ILE A 93 -5.406 -17.682 4.637 1.00 13.31 N ATOM 1507 CA ILE A 93 -5.701 -16.961 3.405 1.00 62.21 C ATOM 1508 C ILE A 93 -6.888 -17.582 2.676 1.00 21.12 C ATOM 1509 O ILE A 93 -7.504 -16.948 1.819 1.00 13.33 O ATOM 1510 CB ILE A 93 -4.485 -16.943 2.459 1.00 20.43 C ATOM 1511 CG1 ILE A 93 -3.846 -18.332 2.389 1.00 2.41 C ATOM 1512 CG2 ILE A 93 -3.470 -15.910 2.922 1.00 5.54 C ATOM 1513 CD1 ILE A 93 -2.738 -18.435 1.363 1.00 11.05 C ATOM 0 H ILE A 93 -4.430 -17.958 4.741 1.00 13.31 H new ATOM 0 HA ILE A 93 -5.946 -15.938 3.689 1.00 62.21 H new ATOM 0 HB ILE A 93 -4.824 -16.669 1.460 1.00 20.43 H new ATOM 0 HG12 ILE A 93 -3.447 -18.590 3.370 1.00 2.41 H new ATOM 0 HG13 ILE A 93 -4.617 -19.067 2.155 1.00 2.41 H new ATOM 0 HG21 ILE A 93 -2.617 -15.909 2.244 1.00 5.54 H new ATOM 0 HG22 ILE A 93 -3.932 -14.923 2.926 1.00 5.54 H new ATOM 0 HG23 ILE A 93 -3.133 -16.157 3.929 1.00 5.54 H new ATOM 0 HD11 ILE A 93 -2.331 -19.446 1.368 1.00 11.05 H new ATOM 0 HD12 ILE A 93 -3.136 -18.209 0.374 1.00 11.05 H new ATOM 0 HD13 ILE A 93 -1.948 -17.725 1.608 1.00 11.05 H new ATOM 1525 N SER A 94 -7.204 -18.825 3.024 1.00 75.43 N ATOM 1526 CA SER A 94 -8.318 -19.533 2.401 1.00 51.22 C ATOM 1527 C SER A 94 -9.648 -18.875 2.757 1.00 4.34 C ATOM 1528 O SER A 94 -10.417 -18.492 1.878 1.00 55.14 O ATOM 1529 CB SER A 94 -8.327 -20.998 2.840 1.00 22.11 C ATOM 1530 OG SER A 94 -9.160 -21.777 1.999 1.00 32.35 O ATOM 0 H SER A 94 -6.706 -19.363 3.733 1.00 75.43 H new ATOM 0 HA SER A 94 -8.188 -19.485 1.320 1.00 51.22 H new ATOM 0 HB2 SER A 94 -7.312 -21.394 2.819 1.00 22.11 H new ATOM 0 HB3 SER A 94 -8.676 -21.070 3.870 1.00 22.11 H new ATOM 0 HG SER A 94 -9.147 -22.710 2.299 1.00 32.35 H new ATOM 1536 N ASN A 95 -9.908 -18.748 4.054 1.00 74.21 N ATOM 1537 CA ASN A 95 -11.145 -18.137 4.529 1.00 61.24 C ATOM 1538 C ASN A 95 -10.854 -16.875 5.336 1.00 20.41 C ATOM 1539 O ASN A 95 -11.390 -16.688 6.428 1.00 1.41 O ATOM 1540 CB ASN A 95 -11.936 -19.132 5.381 1.00 43.43 C ATOM 1541 CG ASN A 95 -12.520 -20.263 4.557 1.00 12.42 C ATOM 1542 OD1 ASN A 95 -13.362 -20.041 3.686 1.00 3.43 O ATOM 1543 ND2 ASN A 95 -12.076 -21.484 4.831 1.00 41.01 N ATOM 0 H ASN A 95 -9.280 -19.060 4.795 1.00 74.21 H new ATOM 0 HA ASN A 95 -11.741 -17.860 3.660 1.00 61.24 H new ATOM 0 HB2 ASN A 95 -11.284 -19.546 6.150 1.00 43.43 H new ATOM 0 HB3 ASN A 95 -12.741 -18.607 5.894 1.00 43.43 H new ATOM 0 HD21 ASN A 95 -12.433 -22.285 4.311 1.00 41.01 H new ATOM 0 HD22 ASN A 95 -11.377 -21.621 5.562 1.00 41.01 H new ATOM 1550 N CYS A 96 -10.002 -16.014 4.791 1.00 42.40 N ATOM 1551 CA CYS A 96 -9.639 -14.770 5.459 1.00 2.23 C ATOM 1552 C CYS A 96 -10.638 -13.665 5.131 1.00 74.25 C ATOM 1553 O CYS A 96 -10.621 -13.104 4.035 1.00 24.42 O ATOM 1554 CB CYS A 96 -8.230 -14.339 5.048 1.00 74.13 C ATOM 1555 SG CYS A 96 -6.925 -14.858 6.208 1.00 51.34 S ATOM 0 H CYS A 96 -9.550 -16.155 3.888 1.00 42.40 H new ATOM 0 HA CYS A 96 -9.659 -14.945 6.535 1.00 2.23 H new ATOM 0 HB2 CYS A 96 -8.009 -14.749 4.063 1.00 74.13 H new ATOM 0 HB3 CYS A 96 -8.207 -13.253 4.954 1.00 74.13 H new ATOM 1560 N ARG A 97 -11.506 -13.356 6.089 1.00 72.45 N ATOM 1561 CA ARG A 97 -12.513 -12.318 5.901 1.00 34.12 C ATOM 1562 C ARG A 97 -11.892 -10.930 6.025 1.00 54.12 C ATOM 1563 O ARG A 97 -10.871 -10.752 6.690 1.00 55.21 O ATOM 1564 CB ARG A 97 -13.638 -12.478 6.925 1.00 33.43 C ATOM 1565 CG ARG A 97 -14.151 -13.904 7.049 1.00 72.43 C ATOM 1566 CD ARG A 97 -15.499 -13.953 7.750 1.00 51.53 C ATOM 1567 NE ARG A 97 -16.102 -15.281 7.688 1.00 64.50 N ATOM 1568 CZ ARG A 97 -17.039 -15.703 8.529 1.00 64.51 C ATOM 1569 NH1 ARG A 97 -17.479 -14.905 9.491 1.00 21.13 N ATOM 1570 NH2 ARG A 97 -17.538 -16.928 8.408 1.00 54.33 N ATOM 0 H ARG A 97 -11.532 -13.809 7.002 1.00 72.45 H new ATOM 0 HA ARG A 97 -12.926 -12.425 4.898 1.00 34.12 H new ATOM 0 HB2 ARG A 97 -13.281 -12.143 7.899 1.00 33.43 H new ATOM 0 HB3 ARG A 97 -14.466 -11.826 6.647 1.00 33.43 H new ATOM 0 HG2 ARG A 97 -14.239 -14.347 6.057 1.00 72.43 H new ATOM 0 HG3 ARG A 97 -13.430 -14.504 7.603 1.00 72.43 H new ATOM 0 HD2 ARG A 97 -15.376 -13.660 8.793 1.00 51.53 H new ATOM 0 HD3 ARG A 97 -16.172 -13.228 7.292 1.00 51.53 H new ATOM 0 HE ARG A 97 -15.786 -15.920 6.958 1.00 64.50 H new ATOM 0 HH11 ARG A 97 -17.098 -13.964 9.587 1.00 21.13 H new ATOM 0 HH12 ARG A 97 -18.199 -15.232 10.135 1.00 21.13 H new ATOM 0 HH21 ARG A 97 -17.201 -17.545 7.669 1.00 54.33 H new ATOM 0 HH22 ARG A 97 -18.258 -17.252 9.054 1.00 54.33 H new ATOM 1584 N TYR A 98 -12.515 -9.949 5.380 1.00 71.30 N ATOM 1585 CA TYR A 98 -12.023 -8.578 5.415 1.00 43.03 C ATOM 1586 C TYR A 98 -13.171 -7.583 5.280 1.00 51.13 C ATOM 1587 O TYR A 98 -14.095 -7.788 4.494 1.00 70.34 O ATOM 1588 CB TYR A 98 -11.003 -8.351 4.298 1.00 4.21 C ATOM 1589 CG TYR A 98 -9.664 -9.002 4.560 1.00 62.44 C ATOM 1590 CD1 TYR A 98 -8.869 -8.599 5.626 1.00 75.05 C ATOM 1591 CD2 TYR A 98 -9.192 -10.021 3.741 1.00 54.24 C ATOM 1592 CE1 TYR A 98 -7.644 -9.191 5.868 1.00 74.23 C ATOM 1593 CE2 TYR A 98 -7.970 -10.619 3.976 1.00 1.02 C ATOM 1594 CZ TYR A 98 -7.200 -10.201 5.040 1.00 4.54 C ATOM 1595 OH TYR A 98 -5.980 -10.793 5.279 1.00 74.20 O ATOM 0 H TYR A 98 -13.362 -10.079 4.827 1.00 71.30 H new ATOM 0 HA TYR A 98 -11.539 -8.418 6.378 1.00 43.03 H new ATOM 0 HB2 TYR A 98 -11.409 -8.737 3.363 1.00 4.21 H new ATOM 0 HB3 TYR A 98 -10.856 -7.279 4.163 1.00 4.21 H new ATOM 0 HD1 TYR A 98 -9.214 -7.809 6.277 1.00 75.05 H new ATOM 0 HD2 TYR A 98 -9.792 -10.351 2.906 1.00 54.24 H new ATOM 0 HE1 TYR A 98 -7.038 -8.865 6.700 1.00 74.23 H new ATOM 0 HE2 TYR A 98 -7.619 -11.410 3.330 1.00 1.02 H new ATOM 0 HH TYR A 98 -6.079 -11.768 5.256 1.00 74.20 H new ATOM 1605 N ALA A 99 -13.104 -6.504 6.053 1.00 75.23 N ATOM 1606 CA ALA A 99 -14.136 -5.475 6.018 1.00 73.40 C ATOM 1607 C ALA A 99 -13.761 -4.353 5.057 1.00 51.03 C ATOM 1608 O ALA A 99 -12.664 -3.800 5.130 1.00 25.11 O ATOM 1609 CB ALA A 99 -14.374 -4.918 7.415 1.00 32.31 C ATOM 0 H ALA A 99 -12.346 -6.320 6.711 1.00 75.23 H new ATOM 0 HA ALA A 99 -15.058 -5.933 5.659 1.00 73.40 H new ATOM 0 HB1 ALA A 99 -15.147 -4.151 7.374 1.00 32.31 H new ATOM 0 HB2 ALA A 99 -14.695 -5.722 8.077 1.00 32.31 H new ATOM 0 HB3 ALA A 99 -13.450 -4.482 7.795 1.00 32.31 H new ATOM 1615 N ASP A 100 -14.679 -4.021 4.155 1.00 24.22 N ATOM 1616 CA ASP A 100 -14.444 -2.964 3.178 1.00 42.43 C ATOM 1617 C ASP A 100 -14.967 -1.625 3.689 1.00 3.35 C ATOM 1618 O ASP A 100 -16.075 -1.541 4.219 1.00 4.14 O ATOM 1619 CB ASP A 100 -15.113 -3.312 1.848 1.00 53.42 C ATOM 1620 CG ASP A 100 -14.829 -4.735 1.412 1.00 62.35 C ATOM 1621 OD1 ASP A 100 -14.952 -5.650 2.253 1.00 43.14 O ATOM 1622 OD2 ASP A 100 -14.484 -4.935 0.228 1.00 43.20 O ATOM 0 H ASP A 100 -15.592 -4.469 4.080 1.00 24.22 H new ATOM 0 HA ASP A 100 -13.368 -2.879 3.024 1.00 42.43 H new ATOM 0 HB2 ASP A 100 -16.190 -3.171 1.939 1.00 53.42 H new ATOM 0 HB3 ASP A 100 -14.765 -2.623 1.078 1.00 53.42 H new ATOM 1627 N ARG A 101 -14.160 -0.581 3.529 1.00 35.42 N ATOM 1628 CA ARG A 101 -14.540 0.754 3.977 1.00 32.33 C ATOM 1629 C ARG A 101 -13.903 1.825 3.097 1.00 73.31 C ATOM 1630 O ARG A 101 -12.708 2.106 3.186 1.00 41.40 O ATOM 1631 CB ARG A 101 -14.125 0.963 5.434 1.00 12.23 C ATOM 1632 CG ARG A 101 -14.677 2.240 6.047 1.00 10.31 C ATOM 1633 CD ARG A 101 -13.724 3.409 5.850 1.00 31.24 C ATOM 1634 NE ARG A 101 -14.200 4.621 6.514 1.00 24.31 N ATOM 1635 CZ ARG A 101 -15.262 5.309 6.112 1.00 42.23 C ATOM 1636 NH1 ARG A 101 -15.956 4.907 5.056 1.00 61.10 N ATOM 1637 NH2 ARG A 101 -15.632 6.402 6.768 1.00 63.33 N ATOM 0 H ARG A 101 -13.239 -0.634 3.093 1.00 35.42 H new ATOM 0 HA ARG A 101 -15.624 0.841 3.899 1.00 32.33 H new ATOM 0 HB2 ARG A 101 -14.462 0.111 6.025 1.00 12.23 H new ATOM 0 HB3 ARG A 101 -13.037 0.982 5.494 1.00 12.23 H new ATOM 0 HG2 ARG A 101 -15.641 2.475 5.595 1.00 10.31 H new ATOM 0 HG3 ARG A 101 -14.853 2.088 7.112 1.00 10.31 H new ATOM 0 HD2 ARG A 101 -12.741 3.145 6.239 1.00 31.24 H new ATOM 0 HD3 ARG A 101 -13.603 3.603 4.784 1.00 31.24 H new ATOM 0 HE ARG A 101 -13.689 4.956 7.330 1.00 24.31 H new ATOM 0 HH11 ARG A 101 -15.674 4.067 4.550 1.00 61.10 H new ATOM 0 HH12 ARG A 101 -16.771 5.438 4.750 1.00 61.10 H new ATOM 0 HH21 ARG A 101 -15.100 6.713 7.581 1.00 63.33 H new ATOM 0 HH22 ARG A 101 -16.448 6.931 6.459 1.00 63.33 H new ATOM 1651 N PRO A 102 -14.718 2.436 2.224 1.00 35.14 N ATOM 1652 CA PRO A 102 -14.256 3.485 1.311 1.00 15.03 C ATOM 1653 C PRO A 102 -13.908 4.778 2.042 1.00 21.21 C ATOM 1654 O PRO A 102 -14.290 4.972 3.195 1.00 41.45 O ATOM 1655 CB PRO A 102 -15.455 3.701 0.384 1.00 13.23 C ATOM 1656 CG PRO A 102 -16.636 3.271 1.185 1.00 44.45 C ATOM 1657 CD PRO A 102 -16.153 2.150 2.063 1.00 13.32 C ATOM 0 HA PRO A 102 -13.343 3.199 0.790 1.00 15.03 H new ATOM 0 HB2 PRO A 102 -15.540 4.745 0.083 1.00 13.23 H new ATOM 0 HB3 PRO A 102 -15.361 3.113 -0.529 1.00 13.23 H new ATOM 0 HG2 PRO A 102 -17.024 4.096 1.783 1.00 44.45 H new ATOM 0 HG3 PRO A 102 -17.447 2.938 0.537 1.00 44.45 H new ATOM 0 HD2 PRO A 102 -16.671 2.139 3.022 1.00 13.32 H new ATOM 0 HD3 PRO A 102 -16.319 1.177 1.600 1.00 13.32 H new ATOM 1665 N GLY A 103 -13.181 5.659 1.362 1.00 43.15 N ATOM 1666 CA GLY A 103 -12.793 6.922 1.963 1.00 34.21 C ATOM 1667 C GLY A 103 -11.929 7.761 1.043 1.00 43.43 C ATOM 1668 O GLY A 103 -11.312 7.240 0.113 1.00 55.12 O ATOM 0 H GLY A 103 -12.854 5.521 0.406 1.00 43.15 H new ATOM 0 HA2 GLY A 103 -13.688 7.484 2.229 1.00 34.21 H new ATOM 0 HA3 GLY A 103 -12.251 6.729 2.889 1.00 34.21 H new ATOM 1672 N ARG A 104 -11.885 9.064 1.300 1.00 44.22 N ATOM 1673 CA ARG A 104 -11.092 9.978 0.486 1.00 61.41 C ATOM 1674 C ARG A 104 -10.127 10.781 1.353 1.00 73.10 C ATOM 1675 O ARG A 104 -10.541 11.664 2.105 1.00 23.00 O ATOM 1676 CB ARG A 104 -12.007 10.925 -0.292 1.00 45.43 C ATOM 1677 CG ARG A 104 -11.370 11.488 -1.552 1.00 64.25 C ATOM 1678 CD ARG A 104 -12.337 12.377 -2.317 1.00 13.13 C ATOM 1679 NE ARG A 104 -13.423 11.611 -2.922 1.00 34.33 N ATOM 1680 CZ ARG A 104 -14.198 12.077 -3.895 1.00 53.12 C ATOM 1681 NH1 ARG A 104 -14.008 13.300 -4.370 1.00 52.32 N ATOM 1682 NH2 ARG A 104 -15.167 11.320 -4.394 1.00 61.41 N ATOM 0 H ARG A 104 -12.389 9.511 2.066 1.00 44.22 H new ATOM 0 HA ARG A 104 -10.510 9.385 -0.220 1.00 61.41 H new ATOM 0 HB2 ARG A 104 -12.920 10.394 -0.562 1.00 45.43 H new ATOM 0 HB3 ARG A 104 -12.299 11.750 0.358 1.00 45.43 H new ATOM 0 HG2 ARG A 104 -10.481 12.060 -1.287 1.00 64.25 H new ATOM 0 HG3 ARG A 104 -11.043 10.669 -2.193 1.00 64.25 H new ATOM 0 HD2 ARG A 104 -12.753 13.125 -1.642 1.00 13.13 H new ATOM 0 HD3 ARG A 104 -11.796 12.916 -3.095 1.00 13.13 H new ATOM 0 HE ARG A 104 -13.596 10.666 -2.579 1.00 34.33 H new ATOM 0 HH11 ARG A 104 -13.265 13.886 -3.988 1.00 52.32 H new ATOM 0 HH12 ARG A 104 -14.605 13.655 -5.117 1.00 52.32 H new ATOM 0 HH21 ARG A 104 -15.318 10.379 -4.030 1.00 61.41 H new ATOM 0 HH22 ARG A 104 -15.761 11.679 -5.141 1.00 61.41 H new ATOM 1696 N ARG A 105 -8.840 10.469 1.243 1.00 25.04 N ATOM 1697 CA ARG A 105 -7.817 11.160 2.018 1.00 41.44 C ATOM 1698 C ARG A 105 -6.429 10.903 1.439 1.00 51.20 C ATOM 1699 O ARG A 105 -6.285 10.218 0.426 1.00 61.41 O ATOM 1700 CB ARG A 105 -7.864 10.711 3.479 1.00 43.51 C ATOM 1701 CG ARG A 105 -9.042 11.277 4.254 1.00 72.25 C ATOM 1702 CD ARG A 105 -8.822 11.176 5.755 1.00 15.51 C ATOM 1703 NE ARG A 105 -9.481 12.261 6.479 1.00 23.11 N ATOM 1704 CZ ARG A 105 -9.661 12.264 7.795 1.00 72.30 C ATOM 1705 NH1 ARG A 105 -9.233 11.245 8.528 1.00 32.11 N ATOM 1706 NH2 ARG A 105 -10.270 13.287 8.380 1.00 34.35 N ATOM 0 H ARG A 105 -8.481 9.742 0.624 1.00 25.04 H new ATOM 0 HA ARG A 105 -8.019 12.230 1.967 1.00 41.44 H new ATOM 0 HB2 ARG A 105 -7.907 9.622 3.514 1.00 43.51 H new ATOM 0 HB3 ARG A 105 -6.939 11.010 3.972 1.00 43.51 H new ATOM 0 HG2 ARG A 105 -9.194 12.320 3.977 1.00 72.25 H new ATOM 0 HG3 ARG A 105 -9.950 10.739 3.981 1.00 72.25 H new ATOM 0 HD2 ARG A 105 -9.201 10.219 6.113 1.00 15.51 H new ATOM 0 HD3 ARG A 105 -7.753 11.196 5.967 1.00 15.51 H new ATOM 0 HE ARG A 105 -9.822 13.060 5.944 1.00 23.11 H new ATOM 0 HH11 ARG A 105 -8.764 10.457 8.081 1.00 32.11 H new ATOM 0 HH12 ARG A 105 -9.372 11.250 9.538 1.00 32.11 H new ATOM 0 HH21 ARG A 105 -10.601 14.072 7.819 1.00 34.35 H new ATOM 0 HH22 ARG A 105 -10.408 13.288 9.391 1.00 34.35 H new ATOM 1720 N PHE A 106 -5.411 11.458 2.087 1.00 23.24 N ATOM 1721 CA PHE A 106 -4.035 11.289 1.636 1.00 44.40 C ATOM 1722 C PHE A 106 -3.478 9.938 2.079 1.00 52.44 C ATOM 1723 O PHE A 106 -4.196 9.114 2.645 1.00 53.42 O ATOM 1724 CB PHE A 106 -3.156 12.418 2.180 1.00 44.02 C ATOM 1725 CG PHE A 106 -3.849 13.749 2.224 1.00 34.22 C ATOM 1726 CD1 PHE A 106 -4.142 14.432 1.055 1.00 31.51 C ATOM 1727 CD2 PHE A 106 -4.209 14.317 3.435 1.00 2.52 C ATOM 1728 CE1 PHE A 106 -4.780 15.657 1.092 1.00 74.21 C ATOM 1729 CE2 PHE A 106 -4.848 15.542 3.479 1.00 13.31 C ATOM 1730 CZ PHE A 106 -5.133 16.213 2.306 1.00 41.04 C ATOM 0 H PHE A 106 -5.513 12.029 2.926 1.00 23.24 H new ATOM 0 HA PHE A 106 -4.029 11.325 0.547 1.00 44.40 H new ATOM 0 HB2 PHE A 106 -2.824 12.157 3.185 1.00 44.02 H new ATOM 0 HB3 PHE A 106 -2.263 12.503 1.561 1.00 44.02 H new ATOM 0 HD1 PHE A 106 -3.868 14.002 0.103 1.00 31.51 H new ATOM 0 HD2 PHE A 106 -3.988 13.797 4.355 1.00 2.52 H new ATOM 0 HE1 PHE A 106 -5.002 16.179 0.173 1.00 74.21 H new ATOM 0 HE2 PHE A 106 -5.124 15.974 4.430 1.00 13.31 H new ATOM 0 HZ PHE A 106 -5.631 17.171 2.338 1.00 41.04 H new ATOM 1740 N TYR A 107 -2.195 9.719 1.816 1.00 42.11 N ATOM 1741 CA TYR A 107 -1.541 8.469 2.184 1.00 32.52 C ATOM 1742 C TYR A 107 -0.044 8.675 2.390 1.00 14.20 C ATOM 1743 O TYR A 107 0.625 9.311 1.575 1.00 71.41 O ATOM 1744 CB TYR A 107 -1.778 7.410 1.106 1.00 64.03 C ATOM 1745 CG TYR A 107 -1.475 7.894 -0.295 1.00 25.33 C ATOM 1746 CD1 TYR A 107 -0.164 8.048 -0.729 1.00 32.11 C ATOM 1747 CD2 TYR A 107 -2.499 8.196 -1.183 1.00 15.32 C ATOM 1748 CE1 TYR A 107 0.118 8.490 -2.007 1.00 33.22 C ATOM 1749 CE2 TYR A 107 -2.227 8.638 -2.463 1.00 61.50 C ATOM 1750 CZ TYR A 107 -0.917 8.783 -2.871 1.00 0.32 C ATOM 1751 OH TYR A 107 -0.642 9.223 -4.145 1.00 13.34 O ATOM 0 H TYR A 107 -1.587 10.391 1.349 1.00 42.11 H new ATOM 0 HA TYR A 107 -1.973 8.126 3.124 1.00 32.52 H new ATOM 0 HB2 TYR A 107 -1.160 6.539 1.322 1.00 64.03 H new ATOM 0 HB3 TYR A 107 -2.817 7.083 1.152 1.00 64.03 H new ATOM 0 HD1 TYR A 107 0.648 7.818 -0.056 1.00 32.11 H new ATOM 0 HD2 TYR A 107 -3.526 8.083 -0.867 1.00 15.32 H new ATOM 0 HE1 TYR A 107 1.143 8.606 -2.328 1.00 33.22 H new ATOM 0 HE2 TYR A 107 -3.035 8.869 -3.141 1.00 61.50 H new ATOM 0 HH TYR A 107 -1.482 9.383 -4.624 1.00 13.34 H new ATOM 1761 N VAL A 108 0.476 8.135 3.487 1.00 21.55 N ATOM 1762 CA VAL A 108 1.894 8.257 3.802 1.00 1.30 C ATOM 1763 C VAL A 108 2.656 6.996 3.406 1.00 12.22 C ATOM 1764 O VAL A 108 2.574 5.971 4.084 1.00 51.35 O ATOM 1765 CB VAL A 108 2.114 8.528 5.302 1.00 44.31 C ATOM 1766 CG1 VAL A 108 3.597 8.485 5.640 1.00 45.10 C ATOM 1767 CG2 VAL A 108 1.508 9.866 5.696 1.00 1.10 C ATOM 0 H VAL A 108 -0.064 7.608 4.173 1.00 21.55 H new ATOM 0 HA VAL A 108 2.274 9.102 3.228 1.00 1.30 H new ATOM 0 HB VAL A 108 1.613 7.746 5.872 1.00 44.31 H new ATOM 0 HG11 VAL A 108 3.733 8.679 6.704 1.00 45.10 H new ATOM 0 HG12 VAL A 108 3.997 7.501 5.396 1.00 45.10 H new ATOM 0 HG13 VAL A 108 4.124 9.245 5.062 1.00 45.10 H new ATOM 0 HG21 VAL A 108 1.673 10.041 6.759 1.00 1.10 H new ATOM 0 HG22 VAL A 108 1.979 10.662 5.120 1.00 1.10 H new ATOM 0 HG23 VAL A 108 0.437 9.855 5.492 1.00 1.10 H new ATOM 1777 N VAL A 109 3.397 7.080 2.307 1.00 74.43 N ATOM 1778 CA VAL A 109 4.176 5.947 1.821 1.00 30.44 C ATOM 1779 C VAL A 109 5.670 6.235 1.894 1.00 42.55 C ATOM 1780 O VAL A 109 6.121 7.322 1.532 1.00 44.10 O ATOM 1781 CB VAL A 109 3.802 5.589 0.370 1.00 11.53 C ATOM 1782 CG1 VAL A 109 2.344 5.926 0.095 1.00 41.10 C ATOM 1783 CG2 VAL A 109 4.718 6.311 -0.607 1.00 24.42 C ATOM 0 H VAL A 109 3.475 7.921 1.735 1.00 74.43 H new ATOM 0 HA VAL A 109 3.941 5.101 2.467 1.00 30.44 H new ATOM 0 HB VAL A 109 3.933 4.516 0.232 1.00 11.53 H new ATOM 0 HG11 VAL A 109 2.098 5.666 -0.935 1.00 41.10 H new ATOM 0 HG12 VAL A 109 1.706 5.361 0.774 1.00 41.10 H new ATOM 0 HG13 VAL A 109 2.182 6.993 0.248 1.00 41.10 H new ATOM 0 HG21 VAL A 109 4.441 6.048 -1.628 1.00 24.42 H new ATOM 0 HG22 VAL A 109 4.619 7.388 -0.470 1.00 24.42 H new ATOM 0 HG23 VAL A 109 5.751 6.015 -0.424 1.00 24.42 H new ATOM 1793 N ALA A 110 6.435 5.255 2.363 1.00 13.01 N ATOM 1794 CA ALA A 110 7.881 5.402 2.482 1.00 75.35 C ATOM 1795 C ALA A 110 8.572 5.102 1.156 1.00 63.41 C ATOM 1796 O ALA A 110 8.717 3.942 0.768 1.00 33.22 O ATOM 1797 CB ALA A 110 8.416 4.492 3.577 1.00 55.32 C ATOM 0 H ALA A 110 6.077 4.350 2.667 1.00 13.01 H new ATOM 0 HA ALA A 110 8.097 6.437 2.749 1.00 75.35 H new ATOM 0 HB1 ALA A 110 9.497 4.612 3.654 1.00 55.32 H new ATOM 0 HB2 ALA A 110 7.952 4.755 4.528 1.00 55.32 H new ATOM 0 HB3 ALA A 110 8.183 3.455 3.335 1.00 55.32 H new ATOM 1803 N CYS A 111 8.998 6.154 0.465 1.00 64.03 N ATOM 1804 CA CYS A 111 9.675 6.004 -0.817 1.00 61.32 C ATOM 1805 C CYS A 111 11.184 5.881 -0.625 1.00 24.51 C ATOM 1806 O CYS A 111 11.788 6.638 0.134 1.00 21.54 O ATOM 1807 CB CYS A 111 9.362 7.194 -1.726 1.00 35.04 C ATOM 1808 SG CYS A 111 9.665 8.817 -0.957 1.00 25.53 S ATOM 0 H CYS A 111 8.886 7.120 0.772 1.00 64.03 H new ATOM 0 HA CYS A 111 9.310 5.090 -1.286 1.00 61.32 H new ATOM 0 HB2 CYS A 111 9.964 7.115 -2.631 1.00 35.04 H new ATOM 0 HB3 CYS A 111 8.317 7.138 -2.033 1.00 35.04 H new ATOM 1813 N ASP A 112 11.787 4.920 -1.320 1.00 54.44 N ATOM 1814 CA ASP A 112 13.225 4.699 -1.228 1.00 23.33 C ATOM 1815 C ASP A 112 13.795 4.266 -2.575 1.00 31.30 C ATOM 1816 O ASP A 112 13.087 3.701 -3.407 1.00 51.34 O ATOM 1817 CB ASP A 112 13.532 3.641 -0.167 1.00 13.13 C ATOM 1818 CG ASP A 112 15.021 3.425 0.022 1.00 74.01 C ATOM 1819 OD1 ASP A 112 15.650 2.816 -0.869 1.00 75.15 O ATOM 1820 OD2 ASP A 112 15.556 3.865 1.060 1.00 23.02 O ATOM 0 H ASP A 112 11.302 4.283 -1.952 1.00 54.44 H new ATOM 0 HA ASP A 112 13.695 5.639 -0.940 1.00 23.33 H new ATOM 0 HB2 ASP A 112 13.088 3.943 0.782 1.00 13.13 H new ATOM 0 HB3 ASP A 112 13.064 2.699 -0.452 1.00 13.13 H new ATOM 1825 N ASN A 113 15.080 4.537 -2.782 1.00 53.41 N ATOM 1826 CA ASN A 113 15.745 4.178 -4.029 1.00 23.20 C ATOM 1827 C ASN A 113 15.566 2.693 -4.333 1.00 34.02 C ATOM 1828 O ASN A 113 16.075 1.836 -3.612 1.00 31.53 O ATOM 1829 CB ASN A 113 17.235 4.517 -3.953 1.00 54.31 C ATOM 1830 CG ASN A 113 17.895 3.947 -2.712 1.00 43.01 C ATOM 1831 OD1 ASN A 113 17.501 4.255 -1.588 1.00 14.22 O ATOM 1832 ND2 ASN A 113 18.908 3.111 -2.913 1.00 12.01 N ATOM 0 H ASN A 113 15.681 5.004 -2.103 1.00 53.41 H new ATOM 0 HA ASN A 113 15.288 4.754 -4.834 1.00 23.20 H new ATOM 0 HB2 ASN A 113 17.738 4.130 -4.839 1.00 54.31 H new ATOM 0 HB3 ASN A 113 17.359 5.600 -3.963 1.00 54.31 H new ATOM 0 HD21 ASN A 113 19.393 2.696 -2.117 1.00 12.01 H new ATOM 0 HD22 ASN A 113 19.201 2.884 -3.863 1.00 12.01 H new ATOM 1839 N ARG A 114 14.839 2.398 -5.406 1.00 52.42 N ATOM 1840 CA ARG A 114 14.592 1.018 -5.805 1.00 74.12 C ATOM 1841 C ARG A 114 15.417 0.652 -7.036 1.00 20.43 C ATOM 1842 O ARG A 114 16.110 1.495 -7.603 1.00 45.54 O ATOM 1843 CB ARG A 114 13.105 0.807 -6.095 1.00 33.21 C ATOM 1844 CG ARG A 114 12.304 0.369 -4.879 1.00 4.11 C ATOM 1845 CD ARG A 114 12.940 -0.832 -4.197 1.00 61.40 C ATOM 1846 NE ARG A 114 13.881 -0.434 -3.154 1.00 1.23 N ATOM 1847 CZ ARG A 114 14.498 -1.295 -2.352 1.00 4.21 C ATOM 1848 NH1 ARG A 114 14.275 -2.596 -2.474 1.00 33.22 N ATOM 1849 NH2 ARG A 114 15.341 -0.855 -1.426 1.00 12.24 N ATOM 0 H ARG A 114 14.411 3.096 -6.014 1.00 52.42 H new ATOM 0 HA ARG A 114 14.891 0.369 -4.982 1.00 74.12 H new ATOM 0 HB2 ARG A 114 12.684 1.735 -6.482 1.00 33.21 H new ATOM 0 HB3 ARG A 114 12.999 0.057 -6.879 1.00 33.21 H new ATOM 0 HG2 ARG A 114 12.233 1.195 -4.172 1.00 4.11 H new ATOM 0 HG3 ARG A 114 11.287 0.121 -5.182 1.00 4.11 H new ATOM 0 HD2 ARG A 114 12.160 -1.457 -3.762 1.00 61.40 H new ATOM 0 HD3 ARG A 114 13.458 -1.439 -4.940 1.00 61.40 H new ATOM 0 HE ARG A 114 14.075 0.560 -3.034 1.00 1.23 H new ATOM 0 HH11 ARG A 114 13.628 -2.938 -3.185 1.00 33.22 H new ATOM 0 HH12 ARG A 114 14.750 -3.255 -1.857 1.00 33.22 H new ATOM 0 HH21 ARG A 114 15.516 0.145 -1.329 1.00 12.24 H new ATOM 0 HH22 ARG A 114 15.814 -1.517 -0.811 1.00 12.24 H new ATOM 1863 N ASP A 115 15.336 -0.610 -7.441 1.00 33.40 N ATOM 1864 CA ASP A 115 16.075 -1.088 -8.604 1.00 71.23 C ATOM 1865 C ASP A 115 15.523 -0.475 -9.888 1.00 42.20 C ATOM 1866 O ASP A 115 14.319 -0.268 -10.039 1.00 50.11 O ATOM 1867 CB ASP A 115 16.009 -2.614 -8.685 1.00 73.31 C ATOM 1868 CG ASP A 115 17.165 -3.283 -7.967 1.00 52.31 C ATOM 1869 OD1 ASP A 115 18.214 -2.628 -7.794 1.00 42.03 O ATOM 1870 OD2 ASP A 115 17.020 -4.460 -7.577 1.00 14.41 O ATOM 0 H ASP A 115 14.766 -1.321 -6.982 1.00 33.40 H new ATOM 0 HA ASP A 115 17.115 -0.782 -8.493 1.00 71.23 H new ATOM 0 HB2 ASP A 115 15.069 -2.957 -8.253 1.00 73.31 H new ATOM 0 HB3 ASP A 115 16.009 -2.920 -9.731 1.00 73.31 H new ATOM 1875 N PRO A 116 16.424 -0.175 -10.835 1.00 44.34 N ATOM 1876 CA PRO A 116 16.052 0.420 -12.122 1.00 43.10 C ATOM 1877 C PRO A 116 15.294 -0.557 -13.015 1.00 35.14 C ATOM 1878 O PRO A 116 14.584 -0.149 -13.934 1.00 73.34 O ATOM 1879 CB PRO A 116 17.401 0.780 -12.751 1.00 3.45 C ATOM 1880 CG PRO A 116 18.374 -0.158 -12.122 1.00 72.42 C ATOM 1881 CD PRO A 116 17.877 -0.395 -10.723 1.00 73.33 C ATOM 0 HA PRO A 116 15.383 1.271 -11.998 1.00 43.10 H new ATOM 0 HB2 PRO A 116 17.378 0.659 -13.834 1.00 3.45 H new ATOM 0 HB3 PRO A 116 17.666 1.818 -12.552 1.00 3.45 H new ATOM 0 HG2 PRO A 116 18.431 -1.093 -12.679 1.00 72.42 H new ATOM 0 HG3 PRO A 116 19.377 0.269 -12.113 1.00 72.42 H new ATOM 0 HD2 PRO A 116 18.105 -1.404 -10.381 1.00 73.33 H new ATOM 0 HD3 PRO A 116 18.334 0.293 -10.012 1.00 73.33 H new ATOM 1889 N ARG A 117 15.447 -1.847 -12.736 1.00 74.03 N ATOM 1890 CA ARG A 117 14.776 -2.881 -13.514 1.00 44.03 C ATOM 1891 C ARG A 117 13.271 -2.861 -13.264 1.00 20.20 C ATOM 1892 O ARG A 117 12.496 -3.426 -14.035 1.00 31.23 O ATOM 1893 CB ARG A 117 15.343 -4.259 -13.167 1.00 21.12 C ATOM 1894 CG ARG A 117 15.047 -4.697 -11.742 1.00 1.02 C ATOM 1895 CD ARG A 117 14.940 -6.210 -11.635 1.00 2.01 C ATOM 1896 NE ARG A 117 14.713 -6.648 -10.260 1.00 2.11 N ATOM 1897 CZ ARG A 117 14.539 -7.917 -9.912 1.00 20.43 C ATOM 1898 NH1 ARG A 117 14.566 -8.870 -10.833 1.00 33.51 N ATOM 1899 NH2 ARG A 117 14.338 -8.237 -8.640 1.00 50.51 N ATOM 0 H ARG A 117 16.030 -2.201 -11.977 1.00 74.03 H new ATOM 0 HA ARG A 117 14.954 -2.677 -14.570 1.00 44.03 H new ATOM 0 HB2 ARG A 117 14.933 -4.996 -13.857 1.00 21.12 H new ATOM 0 HB3 ARG A 117 16.422 -4.247 -13.318 1.00 21.12 H new ATOM 0 HG2 ARG A 117 15.835 -4.339 -11.079 1.00 1.02 H new ATOM 0 HG3 ARG A 117 14.116 -4.241 -11.406 1.00 1.02 H new ATOM 0 HD2 ARG A 117 14.124 -6.561 -12.266 1.00 2.01 H new ATOM 0 HD3 ARG A 117 15.855 -6.666 -12.014 1.00 2.01 H new ATOM 0 HE ARG A 117 14.687 -5.939 -9.527 1.00 2.11 H new ATOM 0 HH11 ARG A 117 14.721 -8.629 -11.812 1.00 33.51 H new ATOM 0 HH12 ARG A 117 14.432 -9.844 -10.563 1.00 33.51 H new ATOM 0 HH21 ARG A 117 14.317 -7.507 -7.928 1.00 50.51 H new ATOM 0 HH22 ARG A 117 14.204 -9.213 -8.375 1.00 50.51 H new ATOM 1913 N ASP A 118 12.866 -2.207 -12.181 1.00 10.21 N ATOM 1914 CA ASP A 118 11.454 -2.111 -11.829 1.00 64.30 C ATOM 1915 C ASP A 118 10.970 -0.667 -11.912 1.00 75.25 C ATOM 1916 O ASP A 118 9.835 -0.406 -12.311 1.00 12.42 O ATOM 1917 CB ASP A 118 11.220 -2.660 -10.421 1.00 25.21 C ATOM 1918 CG ASP A 118 11.085 -4.170 -10.403 1.00 4.33 C ATOM 1919 OD1 ASP A 118 12.123 -4.859 -10.501 1.00 71.33 O ATOM 1920 OD2 ASP A 118 9.944 -4.664 -10.291 1.00 54.14 O ATOM 0 H ASP A 118 13.495 -1.735 -11.532 1.00 10.21 H new ATOM 0 HA ASP A 118 10.885 -2.707 -12.543 1.00 64.30 H new ATOM 0 HB2 ASP A 118 12.048 -2.365 -9.777 1.00 25.21 H new ATOM 0 HB3 ASP A 118 10.317 -2.213 -10.005 1.00 25.21 H new ATOM 1925 N SER A 119 11.837 0.266 -11.534 1.00 24.23 N ATOM 1926 CA SER A 119 11.496 1.683 -11.561 1.00 21.02 C ATOM 1927 C SER A 119 12.410 2.444 -12.516 1.00 32.03 C ATOM 1928 O SER A 119 13.235 3.261 -12.108 1.00 1.31 O ATOM 1929 CB SER A 119 11.597 2.281 -10.156 1.00 72.31 C ATOM 1930 OG SER A 119 10.665 3.335 -9.982 1.00 23.12 O ATOM 0 H SER A 119 12.782 0.066 -11.205 1.00 24.23 H new ATOM 0 HA SER A 119 10.470 1.777 -11.915 1.00 21.02 H new ATOM 0 HB2 SER A 119 11.415 1.504 -9.413 1.00 72.31 H new ATOM 0 HB3 SER A 119 12.607 2.653 -9.988 1.00 72.31 H new ATOM 0 HG SER A 119 11.134 4.139 -9.677 1.00 23.12 H new ATOM 1936 N PRO A 120 12.261 2.170 -13.820 1.00 55.23 N ATOM 1937 CA PRO A 120 13.063 2.817 -14.863 1.00 13.33 C ATOM 1938 C PRO A 120 12.713 4.292 -15.032 1.00 34.04 C ATOM 1939 O PRO A 120 13.590 5.154 -15.013 1.00 43.24 O ATOM 1940 CB PRO A 120 12.701 2.034 -16.126 1.00 62.35 C ATOM 1941 CG PRO A 120 11.344 1.484 -15.856 1.00 24.43 C ATOM 1942 CD PRO A 120 11.296 1.207 -14.379 1.00 0.15 C ATOM 0 HA PRO A 120 14.127 2.803 -14.627 1.00 13.33 H new ATOM 0 HB2 PRO A 120 12.699 2.679 -17.005 1.00 62.35 H new ATOM 0 HB3 PRO A 120 13.420 1.237 -16.317 1.00 62.35 H new ATOM 0 HG2 PRO A 120 10.570 2.195 -16.145 1.00 24.43 H new ATOM 0 HG3 PRO A 120 11.171 0.574 -16.430 1.00 24.43 H new ATOM 0 HD2 PRO A 120 10.296 1.359 -13.974 1.00 0.15 H new ATOM 0 HD3 PRO A 120 11.578 0.179 -14.154 1.00 0.15 H new ATOM 1950 N ARG A 121 11.424 4.574 -15.196 1.00 42.12 N ATOM 1951 CA ARG A 121 10.958 5.945 -15.369 1.00 5.23 C ATOM 1952 C ARG A 121 11.001 6.705 -14.046 1.00 63.12 C ATOM 1953 O ARG A 121 11.263 7.908 -14.018 1.00 21.34 O ATOM 1954 CB ARG A 121 9.535 5.955 -15.929 1.00 60.32 C ATOM 1955 CG ARG A 121 8.555 5.122 -15.119 1.00 40.11 C ATOM 1956 CD ARG A 121 7.163 5.146 -15.732 1.00 22.21 C ATOM 1957 NE ARG A 121 6.748 6.498 -16.095 1.00 63.32 N ATOM 1958 CZ ARG A 121 7.012 7.056 -17.272 1.00 45.42 C ATOM 1959 NH1 ARG A 121 7.687 6.383 -18.193 1.00 73.40 N ATOM 1960 NH2 ARG A 121 6.600 8.292 -17.528 1.00 5.13 N ATOM 0 H ARG A 121 10.684 3.872 -15.213 1.00 42.12 H new ATOM 0 HA ARG A 121 11.623 6.442 -16.075 1.00 5.23 H new ATOM 0 HB2 ARG A 121 9.177 6.984 -15.970 1.00 60.32 H new ATOM 0 HB3 ARG A 121 9.554 5.583 -16.954 1.00 60.32 H new ATOM 0 HG2 ARG A 121 8.911 4.093 -15.062 1.00 40.11 H new ATOM 0 HG3 ARG A 121 8.511 5.501 -14.098 1.00 40.11 H new ATOM 0 HD2 ARG A 121 7.146 4.512 -16.618 1.00 22.21 H new ATOM 0 HD3 ARG A 121 6.448 4.725 -15.025 1.00 22.21 H new ATOM 0 HE ARG A 121 6.227 7.044 -15.408 1.00 63.32 H new ATOM 0 HH11 ARG A 121 8.006 5.434 -18.000 1.00 73.40 H new ATOM 0 HH12 ARG A 121 7.888 6.815 -19.095 1.00 73.40 H new ATOM 0 HH21 ARG A 121 6.081 8.813 -16.821 1.00 5.13 H new ATOM 0 HH22 ARG A 121 6.803 8.720 -18.431 1.00 5.13 H new ATOM 1974 N TYR A 122 10.742 5.995 -12.954 1.00 2.00 N ATOM 1975 CA TYR A 122 10.748 6.603 -11.628 1.00 23.33 C ATOM 1976 C TYR A 122 11.979 6.171 -10.837 1.00 34.04 C ATOM 1977 O TYR A 122 12.298 4.987 -10.733 1.00 23.45 O ATOM 1978 CB TYR A 122 9.478 6.224 -10.864 1.00 62.24 C ATOM 1979 CG TYR A 122 8.216 6.358 -11.686 1.00 13.34 C ATOM 1980 CD1 TYR A 122 7.782 7.600 -12.133 1.00 44.14 C ATOM 1981 CD2 TYR A 122 7.456 5.241 -12.016 1.00 42.41 C ATOM 1982 CE1 TYR A 122 6.629 7.727 -12.883 1.00 14.33 C ATOM 1983 CE2 TYR A 122 6.302 5.359 -12.766 1.00 24.10 C ATOM 1984 CZ TYR A 122 5.893 6.604 -13.197 1.00 20.01 C ATOM 1985 OH TYR A 122 4.743 6.726 -13.945 1.00 4.34 O ATOM 0 H TYR A 122 10.525 4.998 -12.960 1.00 2.00 H new ATOM 0 HA TYR A 122 10.779 7.685 -11.752 1.00 23.33 H new ATOM 0 HB2 TYR A 122 9.567 5.195 -10.515 1.00 62.24 H new ATOM 0 HB3 TYR A 122 9.394 6.855 -9.979 1.00 62.24 H new ATOM 0 HD1 TYR A 122 8.356 8.482 -11.890 1.00 44.14 H new ATOM 0 HD2 TYR A 122 7.773 4.265 -11.680 1.00 42.41 H new ATOM 0 HE1 TYR A 122 6.306 8.700 -13.222 1.00 14.33 H new ATOM 0 HE2 TYR A 122 5.723 4.481 -13.014 1.00 24.10 H new ATOM 0 HH TYR A 122 4.344 5.841 -14.078 1.00 4.34 H new ATOM 1995 N PRO A 123 12.688 7.155 -10.263 1.00 73.53 N ATOM 1996 CA PRO A 123 13.894 6.903 -9.469 1.00 34.53 C ATOM 1997 C PRO A 123 13.581 6.221 -8.142 1.00 1.22 C ATOM 1998 O PRO A 123 14.213 5.229 -7.777 1.00 43.14 O ATOM 1999 CB PRO A 123 14.460 8.304 -9.230 1.00 53.54 C ATOM 2000 CG PRO A 123 13.282 9.211 -9.328 1.00 62.11 C ATOM 2001 CD PRO A 123 12.365 8.590 -10.345 1.00 25.20 C ATOM 0 HA PRO A 123 14.585 6.231 -9.978 1.00 34.53 H new ATOM 0 HB2 PRO A 123 14.936 8.377 -8.252 1.00 53.54 H new ATOM 0 HB3 PRO A 123 15.217 8.557 -9.972 1.00 53.54 H new ATOM 0 HG2 PRO A 123 12.785 9.310 -8.363 1.00 62.11 H new ATOM 0 HG3 PRO A 123 13.585 10.212 -9.635 1.00 62.11 H new ATOM 0 HD2 PRO A 123 11.318 8.780 -10.111 1.00 25.20 H new ATOM 0 HD3 PRO A 123 12.546 8.986 -11.344 1.00 25.20 H new ATOM 2009 N VAL A 124 12.602 6.758 -7.421 1.00 33.42 N ATOM 2010 CA VAL A 124 12.205 6.199 -6.134 1.00 53.24 C ATOM 2011 C VAL A 124 10.770 5.685 -6.177 1.00 41.02 C ATOM 2012 O VAL A 124 9.965 6.125 -6.999 1.00 1.51 O ATOM 2013 CB VAL A 124 12.331 7.242 -5.007 1.00 32.20 C ATOM 2014 CG1 VAL A 124 11.035 8.024 -4.855 1.00 34.43 C ATOM 2015 CG2 VAL A 124 12.713 6.568 -3.698 1.00 72.24 C ATOM 0 H VAL A 124 12.069 7.580 -7.706 1.00 33.42 H new ATOM 0 HA VAL A 124 12.880 5.368 -5.928 1.00 53.24 H new ATOM 0 HB VAL A 124 13.122 7.944 -5.272 1.00 32.20 H new ATOM 0 HG11 VAL A 124 11.143 8.756 -4.054 1.00 34.43 H new ATOM 0 HG12 VAL A 124 10.809 8.539 -5.789 1.00 34.43 H new ATOM 0 HG13 VAL A 124 10.223 7.339 -4.613 1.00 34.43 H new ATOM 0 HG21 VAL A 124 12.798 7.319 -2.913 1.00 72.24 H new ATOM 0 HG22 VAL A 124 11.946 5.843 -3.425 1.00 72.24 H new ATOM 0 HG23 VAL A 124 13.669 6.058 -3.817 1.00 72.24 H new ATOM 2025 N VAL A 125 10.455 4.750 -5.286 1.00 71.13 N ATOM 2026 CA VAL A 125 9.116 4.176 -5.221 1.00 4.20 C ATOM 2027 C VAL A 125 8.744 3.813 -3.788 1.00 24.12 C ATOM 2028 O VAL A 125 9.599 3.674 -2.914 1.00 43.34 O ATOM 2029 CB VAL A 125 9.001 2.920 -6.104 1.00 72.43 C ATOM 2030 CG1 VAL A 125 8.529 3.292 -7.502 1.00 22.40 C ATOM 2031 CG2 VAL A 125 10.331 2.185 -6.161 1.00 33.43 C ATOM 0 H VAL A 125 11.109 4.374 -4.599 1.00 71.13 H new ATOM 0 HA VAL A 125 8.427 4.935 -5.591 1.00 4.20 H new ATOM 0 HB VAL A 125 8.262 2.253 -5.661 1.00 72.43 H new ATOM 0 HG11 VAL A 125 8.454 2.392 -8.112 1.00 22.40 H new ATOM 0 HG12 VAL A 125 7.552 3.772 -7.441 1.00 22.40 H new ATOM 0 HG13 VAL A 125 9.243 3.979 -7.956 1.00 22.40 H new ATOM 0 HG21 VAL A 125 10.231 1.300 -6.789 1.00 33.43 H new ATOM 0 HG22 VAL A 125 11.093 2.843 -6.579 1.00 33.43 H new ATOM 0 HG23 VAL A 125 10.624 1.884 -5.155 1.00 33.43 H new ATOM 2041 N PRO A 126 7.436 3.652 -3.540 1.00 11.04 N ATOM 2042 CA PRO A 126 6.920 3.301 -2.214 1.00 34.22 C ATOM 2043 C PRO A 126 7.270 1.871 -1.815 1.00 15.11 C ATOM 2044 O PRO A 126 7.217 0.957 -2.636 1.00 65.41 O ATOM 2045 CB PRO A 126 5.404 3.456 -2.370 1.00 44.24 C ATOM 2046 CG PRO A 126 5.152 3.255 -3.825 1.00 53.12 C ATOM 2047 CD PRO A 126 6.360 3.801 -4.534 1.00 54.42 C ATOM 0 HA PRO A 126 7.348 3.928 -1.432 1.00 34.22 H new ATOM 0 HB2 PRO A 126 4.867 2.722 -1.770 1.00 44.24 H new ATOM 0 HB3 PRO A 126 5.071 4.441 -2.042 1.00 44.24 H new ATOM 0 HG2 PRO A 126 5.009 2.199 -4.054 1.00 53.12 H new ATOM 0 HG3 PRO A 126 4.247 3.775 -4.140 1.00 53.12 H new ATOM 0 HD2 PRO A 126 6.576 3.245 -5.446 1.00 54.42 H new ATOM 0 HD3 PRO A 126 6.220 4.843 -4.822 1.00 54.42 H new ATOM 2055 N VAL A 127 7.627 1.686 -0.548 1.00 42.42 N ATOM 2056 CA VAL A 127 7.985 0.367 -0.039 1.00 52.14 C ATOM 2057 C VAL A 127 7.229 0.050 1.246 1.00 62.22 C ATOM 2058 O VAL A 127 7.345 -1.048 1.792 1.00 71.41 O ATOM 2059 CB VAL A 127 9.498 0.261 0.228 1.00 4.21 C ATOM 2060 CG1 VAL A 127 10.278 0.334 -1.076 1.00 31.24 C ATOM 2061 CG2 VAL A 127 9.947 1.352 1.189 1.00 21.53 C ATOM 0 H VAL A 127 7.676 2.433 0.145 1.00 42.42 H new ATOM 0 HA VAL A 127 7.708 -0.355 -0.807 1.00 52.14 H new ATOM 0 HB VAL A 127 9.700 -0.705 0.690 1.00 4.21 H new ATOM 0 HG11 VAL A 127 11.345 0.257 -0.867 1.00 31.24 H new ATOM 0 HG12 VAL A 127 9.976 -0.487 -1.727 1.00 31.24 H new ATOM 0 HG13 VAL A 127 10.073 1.284 -1.570 1.00 31.24 H new ATOM 0 HG21 VAL A 127 11.019 1.262 1.366 1.00 21.53 H new ATOM 0 HG22 VAL A 127 9.732 2.329 0.757 1.00 21.53 H new ATOM 0 HG23 VAL A 127 9.413 1.247 2.133 1.00 21.53 H new ATOM 2071 N HIS A 128 6.454 1.018 1.724 1.00 61.41 N ATOM 2072 CA HIS A 128 5.677 0.840 2.945 1.00 12.21 C ATOM 2073 C HIS A 128 4.610 1.924 3.073 1.00 42.24 C ATOM 2074 O HIS A 128 4.773 3.033 2.561 1.00 20.04 O ATOM 2075 CB HIS A 128 6.595 0.867 4.168 1.00 61.44 C ATOM 2076 CG HIS A 128 5.889 1.224 5.439 1.00 3.34 C ATOM 2077 ND1 HIS A 128 5.823 0.377 6.527 1.00 54.33 N ATOM 2078 CD2 HIS A 128 5.218 2.344 5.795 1.00 22.13 C ATOM 2079 CE1 HIS A 128 5.140 0.961 7.495 1.00 11.42 C ATOM 2080 NE2 HIS A 128 4.762 2.156 7.077 1.00 30.13 N ATOM 0 H HIS A 128 6.347 1.933 1.285 1.00 61.41 H new ATOM 0 HA HIS A 128 5.182 -0.130 2.892 1.00 12.21 H new ATOM 0 HB2 HIS A 128 7.061 -0.111 4.284 1.00 61.44 H new ATOM 0 HB3 HIS A 128 7.397 1.584 3.994 1.00 61.44 H new ATOM 0 HD1 HIS A 128 6.237 -0.554 6.576 1.00 54.33 H new ATOM 0 HD2 HIS A 128 5.069 3.222 5.185 1.00 22.13 H new ATOM 0 HE1 HIS A 128 4.927 0.534 8.464 1.00 11.42 H new ATOM 2089 N LEU A 129 3.519 1.597 3.756 1.00 11.23 N ATOM 2090 CA LEU A 129 2.426 2.542 3.950 1.00 34.11 C ATOM 2091 C LEU A 129 2.130 2.737 5.434 1.00 22.45 C ATOM 2092 O LEU A 129 1.653 1.822 6.107 1.00 10.12 O ATOM 2093 CB LEU A 129 1.168 2.053 3.228 1.00 42.22 C ATOM 2094 CG LEU A 129 0.015 3.053 3.137 1.00 70.05 C ATOM 2095 CD1 LEU A 129 -0.686 3.183 4.479 1.00 11.40 C ATOM 2096 CD2 LEU A 129 0.521 4.408 2.663 1.00 75.02 C ATOM 0 H LEU A 129 3.368 0.684 4.185 1.00 11.23 H new ATOM 0 HA LEU A 129 2.730 3.501 3.530 1.00 34.11 H new ATOM 0 HB2 LEU A 129 1.446 1.756 2.217 1.00 42.22 H new ATOM 0 HB3 LEU A 129 0.807 1.158 3.735 1.00 42.22 H new ATOM 0 HG LEU A 129 -0.706 2.682 2.409 1.00 70.05 H new ATOM 0 HD11 LEU A 129 -1.504 3.899 4.395 1.00 11.40 H new ATOM 0 HD12 LEU A 129 -1.083 2.213 4.778 1.00 11.40 H new ATOM 0 HD13 LEU A 129 0.025 3.531 5.229 1.00 11.40 H new ATOM 0 HD21 LEU A 129 -0.313 5.107 2.604 1.00 75.02 H new ATOM 0 HD22 LEU A 129 1.263 4.786 3.367 1.00 75.02 H new ATOM 0 HD23 LEU A 129 0.976 4.302 1.678 1.00 75.02 H new ATOM 2108 N ASP A 130 2.414 3.932 5.937 1.00 52.10 N ATOM 2109 CA ASP A 130 2.176 4.248 7.341 1.00 35.32 C ATOM 2110 C ASP A 130 0.681 4.318 7.635 1.00 35.14 C ATOM 2111 O ASP A 130 0.172 3.599 8.497 1.00 34.30 O ATOM 2112 CB ASP A 130 2.843 5.573 7.707 1.00 14.55 C ATOM 2113 CG ASP A 130 4.245 5.384 8.255 1.00 15.23 C ATOM 2114 OD1 ASP A 130 4.434 4.484 9.099 1.00 71.12 O ATOM 2115 OD2 ASP A 130 5.150 6.137 7.841 1.00 54.42 O ATOM 0 H ASP A 130 2.810 4.699 5.394 1.00 52.10 H new ATOM 0 HA ASP A 130 2.611 3.453 7.947 1.00 35.32 H new ATOM 0 HB2 ASP A 130 2.884 6.212 6.825 1.00 14.55 H new ATOM 0 HB3 ASP A 130 2.233 6.091 8.447 1.00 14.55 H new ATOM 2120 N THR A 131 -0.019 5.190 6.916 1.00 32.24 N ATOM 2121 CA THR A 131 -1.455 5.356 7.102 1.00 71.41 C ATOM 2122 C THR A 131 -2.051 6.248 6.019 1.00 45.22 C ATOM 2123 O THR A 131 -1.346 6.702 5.116 1.00 24.43 O ATOM 2124 CB THR A 131 -1.777 5.958 8.483 1.00 1.00 C ATOM 2125 OG1 THR A 131 -3.175 5.822 8.762 1.00 12.12 O ATOM 2126 CG2 THR A 131 -1.384 7.427 8.537 1.00 22.12 C ATOM 0 H THR A 131 0.386 5.792 6.199 1.00 32.24 H new ATOM 0 HA THR A 131 -1.899 4.363 7.035 1.00 71.41 H new ATOM 0 HB THR A 131 -1.203 5.417 9.235 1.00 1.00 H new ATOM 0 HG1 THR A 131 -3.372 6.205 9.642 1.00 12.12 H new ATOM 0 HG21 THR A 131 -1.621 7.831 9.521 1.00 22.12 H new ATOM 0 HG22 THR A 131 -0.314 7.524 8.352 1.00 22.12 H new ATOM 0 HG23 THR A 131 -1.935 7.979 7.776 1.00 22.12 H new ATOM 2134 N THR A 132 -3.353 6.499 6.114 1.00 44.31 N ATOM 2135 CA THR A 132 -4.042 7.338 5.143 1.00 31.13 C ATOM 2136 C THR A 132 -4.800 8.467 5.832 1.00 60.13 C ATOM 2137 O THR A 132 -5.793 8.231 6.522 1.00 62.14 O ATOM 2138 CB THR A 132 -5.030 6.517 4.292 1.00 71.22 C ATOM 2139 OG1 THR A 132 -5.621 5.485 5.088 1.00 31.34 O ATOM 2140 CG2 THR A 132 -4.327 5.899 3.093 1.00 60.33 C ATOM 0 H THR A 132 -3.951 6.133 6.854 1.00 44.31 H new ATOM 0 HA THR A 132 -3.277 7.761 4.492 1.00 31.13 H new ATOM 0 HB THR A 132 -5.809 7.188 3.931 1.00 71.22 H new ATOM 0 HG1 THR A 132 -5.956 5.869 5.925 1.00 31.34 H new ATOM 0 HG21 THR A 132 -5.044 5.324 2.507 1.00 60.33 H new ATOM 0 HG22 THR A 132 -3.902 6.689 2.473 1.00 60.33 H new ATOM 0 HG23 THR A 132 -3.530 5.240 3.438 1.00 60.33 H new ATOM 2148 N ILE A 133 -4.327 9.694 5.639 1.00 22.05 N ATOM 2149 CA ILE A 133 -4.962 10.860 6.241 1.00 51.42 C ATOM 2150 C ILE A 133 -5.188 11.958 5.207 1.00 73.45 C ATOM 2151 O ILE A 133 -6.188 12.674 5.254 1.00 14.12 O ATOM 2152 CB ILE A 133 -4.117 11.427 7.397 1.00 13.02 C ATOM 2153 CG1 ILE A 133 -5.009 12.176 8.390 1.00 34.43 C ATOM 2154 CG2 ILE A 133 -3.029 12.344 6.859 1.00 32.13 C ATOM 2155 CD1 ILE A 133 -5.179 13.642 8.062 1.00 14.45 C ATOM 0 H ILE A 133 -3.507 9.906 5.071 1.00 22.05 H new ATOM 0 HA ILE A 133 -5.924 10.528 6.632 1.00 51.42 H new ATOM 0 HB ILE A 133 -3.640 10.597 7.919 1.00 13.02 H new ATOM 0 HG12 ILE A 133 -5.990 11.701 8.415 1.00 34.43 H new ATOM 0 HG13 ILE A 133 -4.585 12.082 9.390 1.00 34.43 H new ATOM 0 HG21 ILE A 133 -2.441 12.736 7.689 1.00 32.13 H new ATOM 0 HG22 ILE A 133 -2.380 11.783 6.187 1.00 32.13 H new ATOM 0 HG23 ILE A 133 -3.486 13.171 6.315 1.00 32.13 H new ATOM 0 HD11 ILE A 133 -5.823 14.109 8.807 1.00 14.45 H new ATOM 0 HD12 ILE A 133 -4.205 14.131 8.066 1.00 14.45 H new ATOM 0 HD13 ILE A 133 -5.632 13.744 7.076 1.00 14.45 H new