USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 884 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 116 THR OG1 : rot -179:sc= -11.1! USER MOD Set 1.2: A 125 LYS NZ :NH3+ 168:sc= -3.09! (180deg=-2.42) USER MOD Set 2.1: A 98 ASN : amide:sc= -2.83 K(o=-4.6,f=-20!) USER MOD Set 2.2: A 100 LYS NZ :NH3+ -123:sc= -1.79! (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot 15:sc= 1.97 USER MOD Set 3.2: A 37 LYS NZ :NH3+ -166:sc= -0.0364 (180deg=-0.231) USER MOD Set 3.3: A 39 THR OG1 : rot -18:sc= 0.756 USER MOD Set 4.1: A 11 ASN :FLIP amide:sc= -11.2! C(o=-27!,f=-25!) USER MOD Set 4.2: A 13 ASN : amide:sc= -8.96! C(o=-25!,f=-26!) USER MOD Set 4.3: A 16 LYS NZ :NH3+ 175:sc= -1.41! (180deg=-1.42!) USER MOD Set 4.4: A 119 TYR OH : rot -156:sc= -3.82! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -0.0119 (180deg=-0.129) USER MOD Single : A 21 MET CE :methyl -163:sc=-0.000389 (180deg=-0.81) USER MOD Single : A 24 ASN : amide:sc= -0.115 K(o=-0.11,f=-5.6!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.0234 (180deg=-0.223) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -4.6! (180deg=-6.55!) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -0.928 F(o=-3.7!,f=-0.93) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-3.6!,f=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.51 F(o=-6.2!,f=-1.5) USER MOD Single : A 46 LYS NZ :NH3+ -129:sc= -7.34! (180deg=-10.1!) USER MOD Single : A 48 THR OG1 : rot 81:sc= -0.694! USER MOD Single : A 50 LYS NZ :NH3+ -118:sc= -2.12 (180deg=-6.97!) USER MOD Single : A 52 SER OG : rot 170:sc= -4.04! USER MOD Single : A 53 SER OG : rot 10:sc= 0.443 USER MOD Single : A 54 ASN : amide:sc= -0.173 K(o=-0.17,f=-3.5!) USER MOD Single : A 57 ASN :FLIP amide:sc= -7.1! C(o=-9.2!,f=-7.1!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 26:sc= -3.04! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -174:sc= -1.13 USER MOD Single : A 81 THR OG1 : rot -44:sc= -5.27! USER MOD Single : A 83 THR OG1 : rot 52:sc= 1.13 USER MOD Single : A 84 MET CE :methyl -151:sc= -7.71! (180deg=-8.77!) USER MOD Single : A 87 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.1!) USER MOD Single : A 88 LYS NZ :NH3+ -138:sc= 0.0362 (180deg=-0.0611) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -130:sc= 1.69 (180deg=0.755) USER MOD Single : A 109 SER OG : rot 180:sc= -0.0959 USER MOD Single : A 111 ASN :FLIP amide:sc= 0.589 F(o=-1,f=0.59) USER MOD Single : A 115 GLN : amide:sc= -12.2! C(o=-12!,f=-12!) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.963 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 129 LYS NZ :NH3+ 143:sc= -8.02! (180deg=-11.3!) USER MOD Single : A 130 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0984) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 11.370 -12.684 5.297 1.00 0.00 N ATOM 14 CA PHE A 2 10.586 -13.173 4.168 1.00 0.00 C ATOM 15 C PHE A 2 11.124 -12.624 2.851 1.00 0.00 C ATOM 16 O PHE A 2 11.101 -13.309 1.829 1.00 0.00 O ATOM 17 CB PHE A 2 9.111 -12.792 4.327 1.00 0.00 C ATOM 18 CG PHE A 2 8.241 -13.267 3.195 1.00 0.00 C ATOM 19 CD1 PHE A 2 8.301 -14.583 2.756 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.366 -12.397 2.566 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.506 -15.017 1.714 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.569 -12.827 1.522 1.00 0.00 C ATOM 23 CZ PHE A 2 6.637 -14.137 1.096 1.00 0.00 C ATOM 0 HA PHE A 2 10.670 -14.260 4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.736 -13.208 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.031 -11.708 4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.977 -15.275 3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.306 -11.370 2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.563 -16.043 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 2 5.893 -12.137 1.040 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.013 -14.475 0.282 1.00 0.00 H new ATOM 32 N ASP A 3 11.613 -11.387 2.878 1.00 0.00 N ATOM 33 CA ASP A 3 12.155 -10.760 1.682 1.00 0.00 C ATOM 34 C ASP A 3 13.316 -9.851 2.028 1.00 0.00 C ATOM 35 O ASP A 3 14.397 -9.960 1.448 1.00 0.00 O ATOM 36 CB ASP A 3 11.084 -9.940 0.970 1.00 0.00 C ATOM 37 CG ASP A 3 10.015 -10.801 0.329 1.00 0.00 C ATOM 38 OD1 ASP A 3 10.365 -11.652 -0.515 1.00 0.00 O ATOM 39 OD2 ASP A 3 8.827 -10.618 0.664 1.00 0.00 O ATOM 0 H ASP A 3 11.644 -10.803 3.714 1.00 0.00 H new ATOM 0 HA ASP A 3 12.502 -11.557 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.618 -9.262 1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.554 -9.323 0.205 1.00 0.00 H new ATOM 43 N GLY A 4 13.091 -8.947 2.973 1.00 0.00 N ATOM 44 CA GLY A 4 14.143 -8.039 3.355 1.00 0.00 C ATOM 45 C GLY A 4 13.636 -6.793 4.052 1.00 0.00 C ATOM 46 O GLY A 4 12.544 -6.780 4.618 1.00 0.00 O ATOM 0 H GLY A 4 12.210 -8.830 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.839 -8.558 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.702 -7.747 2.466 1.00 0.00 H new ATOM 50 N THR A 5 14.420 -5.728 3.944 1.00 0.00 N ATOM 51 CA THR A 5 14.089 -4.446 4.473 1.00 0.00 C ATOM 52 C THR A 5 14.930 -3.512 3.689 1.00 0.00 C ATOM 53 O THR A 5 16.072 -3.812 3.373 1.00 0.00 O ATOM 54 CB THR A 5 14.326 -4.264 5.970 1.00 0.00 C ATOM 55 OG1 THR A 5 13.919 -2.938 6.308 1.00 0.00 O ATOM 56 CG2 THR A 5 15.788 -4.477 6.337 1.00 0.00 C ATOM 0 H THR A 5 15.323 -5.751 3.471 1.00 0.00 H new ATOM 0 HA THR A 5 13.016 -4.278 4.383 1.00 0.00 H new ATOM 0 HB THR A 5 13.751 -5.004 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.385 -2.563 5.576 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.917 -4.339 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.089 -5.488 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.406 -3.757 5.801 1.00 0.00 H new ATOM 64 N TRP A 6 14.342 -2.434 3.296 1.00 0.00 N ATOM 65 CA TRP A 6 14.959 -1.511 2.456 1.00 0.00 C ATOM 66 C TRP A 6 14.217 -0.275 2.831 1.00 0.00 C ATOM 67 O TRP A 6 13.120 -0.430 3.360 1.00 0.00 O ATOM 68 CB TRP A 6 14.754 -1.982 1.031 1.00 0.00 C ATOM 69 CG TRP A 6 14.218 -3.387 0.877 1.00 0.00 C ATOM 70 CD1 TRP A 6 14.825 -4.438 0.253 1.00 0.00 C ATOM 71 CD2 TRP A 6 12.951 -3.879 1.326 1.00 0.00 C ATOM 72 NE1 TRP A 6 14.025 -5.554 0.310 1.00 0.00 N ATOM 73 CE2 TRP A 6 12.863 -5.228 0.946 1.00 0.00 C ATOM 74 CE3 TRP A 6 11.887 -3.305 2.015 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.748 -6.006 1.227 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.782 -4.076 2.292 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.718 -5.409 1.894 1.00 0.00 C ATOM 0 H TRP A 6 13.392 -2.179 3.567 1.00 0.00 H new ATOM 0 HA TRP A 6 16.036 -1.367 2.542 1.00 0.00 H new ATOM 0 HB2 TRP A 6 14.068 -1.295 0.535 1.00 0.00 H new ATOM 0 HB3 TRP A 6 15.707 -1.916 0.505 1.00 0.00 H new ATOM 0 HD1 TRP A 6 15.796 -4.398 -0.218 1.00 0.00 H new ATOM 0 HE1 TRP A 6 14.261 -6.474 -0.062 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.928 -2.272 2.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.698 -7.043 0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.951 -3.641 2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 6 9.832 -5.984 2.119 1.00 0.00 H new ATOM 87 N LYS A 7 14.731 0.932 2.728 1.00 0.00 N ATOM 88 CA LYS A 7 13.913 1.965 3.286 1.00 0.00 C ATOM 89 C LYS A 7 14.345 3.349 2.996 1.00 0.00 C ATOM 90 O LYS A 7 15.484 3.704 3.269 1.00 0.00 O ATOM 91 CB LYS A 7 13.923 1.779 4.775 1.00 0.00 C ATOM 92 CG LYS A 7 15.060 0.921 5.300 1.00 0.00 C ATOM 93 CD LYS A 7 16.418 1.533 4.975 1.00 0.00 C ATOM 94 CE LYS A 7 16.827 2.543 6.032 1.00 0.00 C ATOM 95 NZ LYS A 7 18.202 3.053 5.801 1.00 0.00 N ATOM 0 H LYS A 7 15.621 1.200 2.307 1.00 0.00 H new ATOM 0 HA LYS A 7 12.930 1.863 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.977 2.759 5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.977 1.330 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.961 0.805 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.996 -0.076 4.865 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.169 0.746 4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.378 2.018 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.125 3.376 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.771 2.081 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.446 3.740 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.875 2.261 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.249 3.516 4.871 1.00 0.00 H new ATOM 105 N VAL A 8 13.419 4.147 2.498 1.00 0.00 N ATOM 106 CA VAL A 8 13.725 5.518 2.218 1.00 0.00 C ATOM 107 C VAL A 8 12.562 6.326 1.758 1.00 0.00 C ATOM 108 O VAL A 8 12.239 7.373 2.317 1.00 0.00 O ATOM 109 CB VAL A 8 14.742 5.588 1.086 1.00 0.00 C ATOM 110 CG1 VAL A 8 16.167 5.529 1.610 1.00 0.00 C ATOM 111 CG2 VAL A 8 14.501 4.433 0.131 1.00 0.00 C ATOM 0 H VAL A 8 12.462 3.865 2.285 1.00 0.00 H new ATOM 0 HA VAL A 8 14.086 5.925 3.163 1.00 0.00 H new ATOM 0 HB VAL A 8 14.617 6.540 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.865 5.581 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.343 6.369 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.318 4.594 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.225 4.476 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.612 3.490 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.493 4.503 -0.277 1.00 0.00 H new ATOM 121 N ASP A 9 12.014 5.886 0.675 1.00 0.00 N ATOM 122 CA ASP A 9 10.970 6.603 0.034 1.00 0.00 C ATOM 123 C ASP A 9 10.008 5.632 -0.630 1.00 0.00 C ATOM 124 O ASP A 9 10.301 4.456 -0.714 1.00 0.00 O ATOM 125 CB ASP A 9 11.666 7.513 -0.979 1.00 0.00 C ATOM 126 CG ASP A 9 12.356 8.706 -0.343 1.00 0.00 C ATOM 127 OD1 ASP A 9 13.377 8.507 0.346 1.00 0.00 O ATOM 128 OD2 ASP A 9 11.878 9.841 -0.537 1.00 0.00 O ATOM 0 H ASP A 9 12.280 5.017 0.211 1.00 0.00 H new ATOM 0 HA ASP A 9 10.372 7.192 0.729 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.401 6.931 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.931 7.870 -1.701 1.00 0.00 H new ATOM 132 N ARG A 10 8.899 6.125 -1.165 1.00 0.00 N ATOM 133 CA ARG A 10 7.994 5.271 -1.927 1.00 0.00 C ATOM 134 C ARG A 10 6.809 6.039 -2.473 1.00 0.00 C ATOM 135 O ARG A 10 5.670 5.754 -2.116 1.00 0.00 O ATOM 136 CB ARG A 10 7.501 4.193 -0.980 1.00 0.00 C ATOM 137 CG ARG A 10 7.103 4.785 0.355 1.00 0.00 C ATOM 138 CD ARG A 10 5.606 4.715 0.599 1.00 0.00 C ATOM 139 NE ARG A 10 5.158 3.362 0.918 1.00 0.00 N ATOM 140 CZ ARG A 10 5.514 2.704 2.020 1.00 0.00 C ATOM 141 NH1 ARG A 10 6.330 3.268 2.901 1.00 0.00 N ATOM 142 NH2 ARG A 10 5.054 1.481 2.240 1.00 0.00 N ATOM 0 H ARG A 10 8.606 7.099 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 10 8.525 4.855 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.648 3.678 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.283 3.448 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.623 4.255 1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.427 5.825 0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.342 5.385 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.079 5.070 -0.286 1.00 0.00 H new ATOM 0 HE ARG A 10 4.536 2.894 0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.687 4.209 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.600 2.761 3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.427 1.043 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.327 0.978 3.084 1.00 0.00 H new ATOM 153 N ASN A 11 7.078 6.903 -3.433 1.00 0.00 N ATOM 154 CA ASN A 11 6.046 7.612 -4.165 1.00 0.00 C ATOM 155 C ASN A 11 6.534 8.882 -4.843 1.00 0.00 C ATOM 156 O ASN A 11 7.175 9.697 -4.190 1.00 0.00 O ATOM 157 CB ASN A 11 4.802 7.938 -3.354 1.00 0.00 C ATOM 158 CG ASN A 11 3.705 8.484 -4.248 1.00 0.00 C ATOM 159 OD1 ASN A 11 3.716 9.798 -4.466 1.00 0.00 O flip ATOM 160 ND2 ASN A 11 2.890 7.728 -4.773 1.00 0.00 N flip ATOM 0 H ASN A 11 8.026 7.134 -3.729 1.00 0.00 H new ATOM 0 HA ASN A 11 5.769 6.887 -4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.449 7.042 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.046 8.668 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.921 6.728 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.183 8.101 -5.406 1.00 0.00 H new ATOM 166 N GLU A 12 6.076 9.186 -6.036 1.00 0.00 N ATOM 167 CA GLU A 12 6.380 10.499 -6.562 1.00 0.00 C ATOM 168 C GLU A 12 5.122 11.225 -6.794 1.00 0.00 C ATOM 169 O GLU A 12 4.473 11.075 -7.799 1.00 0.00 O ATOM 170 CB GLU A 12 7.165 10.586 -7.829 1.00 0.00 C ATOM 171 CG GLU A 12 8.643 10.342 -7.715 1.00 0.00 C ATOM 172 CD GLU A 12 9.268 9.832 -9.000 1.00 0.00 C ATOM 173 OE1 GLU A 12 8.530 9.644 -9.989 1.00 0.00 O ATOM 174 OE2 GLU A 12 10.499 9.619 -9.016 1.00 0.00 O ATOM 0 H GLU A 12 5.519 8.578 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 12 7.025 10.924 -5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.753 9.866 -8.537 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.014 11.577 -8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.136 11.269 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.825 9.620 -6.919 1.00 0.00 H new ATOM 179 N ASN A 13 4.895 12.107 -5.900 1.00 0.00 N ATOM 180 CA ASN A 13 3.823 13.025 -5.968 1.00 0.00 C ATOM 181 C ASN A 13 4.375 14.034 -6.852 1.00 0.00 C ATOM 182 O ASN A 13 3.750 14.591 -7.752 1.00 0.00 O ATOM 183 CB ASN A 13 3.553 13.595 -4.609 1.00 0.00 C ATOM 184 CG ASN A 13 2.798 12.648 -3.715 1.00 0.00 C ATOM 185 OD1 ASN A 13 3.365 11.895 -2.924 1.00 0.00 O ATOM 186 ND2 ASN A 13 1.500 12.680 -3.894 1.00 0.00 N ATOM 0 H ASN A 13 5.473 12.216 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 13 2.877 12.604 -6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.499 13.856 -4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.984 14.518 -4.715 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.896 12.055 -3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.094 13.330 -4.567 1.00 0.00 H new ATOM 192 N TYR A 14 5.646 14.144 -6.603 1.00 0.00 N ATOM 193 CA TYR A 14 6.494 14.933 -7.340 1.00 0.00 C ATOM 194 C TYR A 14 6.388 14.459 -8.741 1.00 0.00 C ATOM 195 O TYR A 14 6.841 15.134 -9.630 1.00 0.00 O ATOM 196 CB TYR A 14 7.908 14.778 -6.794 1.00 0.00 C ATOM 197 CG TYR A 14 9.007 15.059 -7.802 1.00 0.00 C ATOM 198 CD1 TYR A 14 9.018 16.243 -8.529 1.00 0.00 C ATOM 199 CD2 TYR A 14 10.020 14.140 -8.037 1.00 0.00 C ATOM 200 CE1 TYR A 14 9.997 16.502 -9.461 1.00 0.00 C ATOM 201 CE2 TYR A 14 11.009 14.392 -8.968 1.00 0.00 C ATOM 202 CZ TYR A 14 10.993 15.573 -9.680 1.00 0.00 C ATOM 203 OH TYR A 14 11.977 15.828 -10.606 1.00 0.00 O ATOM 0 H TYR A 14 6.108 13.651 -5.839 1.00 0.00 H new ATOM 0 HA TYR A 14 6.240 15.992 -7.287 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.031 15.450 -5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.029 13.762 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.242 16.975 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.035 13.213 -7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.986 17.427 -10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.791 13.667 -9.138 1.00 0.00 H new ATOM 0 HH TYR A 14 12.601 15.073 -10.637 1.00 0.00 H new ATOM 212 N GLU A 15 5.771 13.284 -8.932 1.00 0.00 N ATOM 213 CA GLU A 15 5.544 12.789 -10.261 1.00 0.00 C ATOM 214 C GLU A 15 4.075 12.797 -10.573 1.00 0.00 C ATOM 215 O GLU A 15 3.670 12.962 -11.696 1.00 0.00 O ATOM 216 CB GLU A 15 6.115 11.413 -10.483 1.00 0.00 C ATOM 217 CG GLU A 15 5.152 10.284 -10.132 1.00 0.00 C ATOM 218 CD GLU A 15 5.402 9.047 -10.971 1.00 0.00 C ATOM 219 OE1 GLU A 15 5.049 9.064 -12.170 1.00 0.00 O ATOM 220 OE2 GLU A 15 5.980 8.074 -10.444 1.00 0.00 O ATOM 0 H GLU A 15 5.432 12.680 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 15 6.069 13.460 -10.940 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.409 11.316 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.020 11.305 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.255 10.034 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.126 10.622 -10.280 1.00 0.00 H new ATOM 225 N LYS A 16 3.288 12.570 -9.557 1.00 0.00 N ATOM 226 CA LYS A 16 1.848 12.499 -9.726 1.00 0.00 C ATOM 227 C LYS A 16 1.324 13.812 -10.079 1.00 0.00 C ATOM 228 O LYS A 16 0.835 14.050 -11.166 1.00 0.00 O ATOM 229 CB LYS A 16 1.152 12.119 -8.417 1.00 0.00 C ATOM 230 CG LYS A 16 1.906 11.161 -7.547 1.00 0.00 C ATOM 231 CD LYS A 16 1.319 11.165 -6.182 1.00 0.00 C ATOM 232 CE LYS A 16 1.029 9.781 -5.664 1.00 0.00 C ATOM 233 NZ LYS A 16 0.371 9.833 -4.333 1.00 0.00 N ATOM 0 H LYS A 16 3.612 12.430 -8.600 1.00 0.00 H new ATOM 0 HA LYS A 16 1.660 11.755 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.962 13.029 -7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.182 11.683 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.863 10.157 -7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.958 11.443 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.004 11.667 -5.499 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.396 11.745 -6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.388 9.253 -6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.958 9.215 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.107 8.871 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.028 10.240 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.483 10.424 -4.391 1.00 0.00 H new ATOM 243 N PHE A 17 1.470 14.661 -9.136 1.00 0.00 N ATOM 244 CA PHE A 17 1.031 15.998 -9.274 1.00 0.00 C ATOM 245 C PHE A 17 1.863 16.587 -10.299 1.00 0.00 C ATOM 246 O PHE A 17 1.498 17.536 -10.981 1.00 0.00 O ATOM 247 CB PHE A 17 1.177 16.724 -7.961 1.00 0.00 C ATOM 248 CG PHE A 17 0.461 15.974 -6.845 1.00 0.00 C ATOM 249 CD1 PHE A 17 0.692 14.623 -6.654 1.00 0.00 C ATOM 250 CD2 PHE A 17 -0.502 16.581 -6.049 1.00 0.00 C ATOM 251 CE1 PHE A 17 0.009 13.916 -5.734 1.00 0.00 C ATOM 252 CE2 PHE A 17 -1.201 15.846 -5.099 1.00 0.00 C ATOM 253 CZ PHE A 17 -0.935 14.499 -4.952 1.00 0.00 C ATOM 0 H PHE A 17 1.902 14.448 -8.237 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.021 16.058 -9.552 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.233 16.830 -7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.768 17.730 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.437 14.125 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.709 17.634 -6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.217 12.863 -5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.946 16.324 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.474 13.914 -4.221 1.00 0.00 H new ATOM 262 N MET A 18 2.987 15.958 -10.417 1.00 0.00 N ATOM 263 CA MET A 18 3.910 16.346 -11.392 1.00 0.00 C ATOM 264 C MET A 18 3.431 15.908 -12.743 1.00 0.00 C ATOM 265 O MET A 18 3.796 16.475 -13.775 1.00 0.00 O ATOM 266 CB MET A 18 5.229 15.717 -11.124 1.00 0.00 C ATOM 267 CG MET A 18 6.123 15.681 -12.359 1.00 0.00 C ATOM 268 SD MET A 18 7.596 14.656 -12.167 1.00 0.00 S ATOM 269 CE MET A 18 8.357 14.850 -13.777 1.00 0.00 C ATOM 0 H MET A 18 3.275 15.169 -9.838 1.00 0.00 H new ATOM 0 HA MET A 18 4.011 17.431 -11.367 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.735 16.266 -10.330 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.076 14.701 -10.761 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.543 15.311 -13.205 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.430 16.698 -12.603 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.281 14.274 -13.814 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.674 14.492 -14.548 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.579 15.903 -13.950 1.00 0.00 H new ATOM 277 N GLU A 19 2.635 14.868 -12.748 1.00 0.00 N ATOM 278 CA GLU A 19 2.148 14.370 -13.992 1.00 0.00 C ATOM 279 C GLU A 19 0.660 14.564 -14.097 1.00 0.00 C ATOM 280 O GLU A 19 0.037 14.087 -15.047 1.00 0.00 O ATOM 281 CB GLU A 19 2.472 12.899 -14.142 1.00 0.00 C ATOM 282 CG GLU A 19 3.967 12.615 -14.278 1.00 0.00 C ATOM 283 CD GLU A 19 4.253 11.291 -14.960 1.00 0.00 C ATOM 284 OE1 GLU A 19 3.803 10.247 -14.443 1.00 0.00 O ATOM 285 OE2 GLU A 19 4.929 11.297 -16.011 1.00 0.00 O ATOM 0 H GLU A 19 2.320 14.364 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 19 2.639 14.929 -14.789 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.085 12.360 -13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.955 12.509 -15.019 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.435 13.419 -14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.424 12.615 -13.288 1.00 0.00 H new ATOM 290 N LYS A 20 0.066 15.234 -13.115 1.00 0.00 N ATOM 291 CA LYS A 20 -1.377 15.403 -13.175 1.00 0.00 C ATOM 292 C LYS A 20 -1.903 16.590 -12.380 1.00 0.00 C ATOM 293 O LYS A 20 -2.628 17.428 -12.916 1.00 0.00 O ATOM 294 CB LYS A 20 -2.062 14.129 -12.681 1.00 0.00 C ATOM 295 CG LYS A 20 -1.783 13.817 -11.217 1.00 0.00 C ATOM 296 CD LYS A 20 -2.561 12.600 -10.747 1.00 0.00 C ATOM 297 CE LYS A 20 -4.062 12.786 -10.921 1.00 0.00 C ATOM 298 NZ LYS A 20 -4.569 13.968 -10.169 1.00 0.00 N ATOM 0 H LYS A 20 0.533 15.649 -12.309 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.611 15.603 -14.220 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.138 14.226 -12.825 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.733 13.289 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.716 13.643 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.048 14.678 -10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.236 11.723 -11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.338 12.409 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.292 12.904 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.580 11.890 -10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.609 13.972 -10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.241 13.919 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.212 14.839 -10.610 1.00 0.00 H new ATOM 308 N MET A 21 -1.574 16.631 -11.100 1.00 0.00 N ATOM 309 CA MET A 21 -2.049 17.684 -10.222 1.00 0.00 C ATOM 310 C MET A 21 -1.920 19.044 -10.847 1.00 0.00 C ATOM 311 O MET A 21 -2.910 19.728 -11.112 1.00 0.00 O ATOM 312 CB MET A 21 -1.240 17.698 -8.960 1.00 0.00 C ATOM 313 CG MET A 21 -1.565 18.800 -7.994 1.00 0.00 C ATOM 314 SD MET A 21 -3.312 18.866 -7.551 1.00 0.00 S ATOM 315 CE MET A 21 -3.315 20.195 -6.350 1.00 0.00 C ATOM 0 H MET A 21 -0.976 15.942 -10.644 1.00 0.00 H new ATOM 0 HA MET A 21 -3.100 17.476 -10.024 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.375 16.743 -8.453 1.00 0.00 H new ATOM 0 HB3 MET A 21 -0.186 17.772 -9.226 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.972 18.667 -7.089 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.271 19.755 -8.430 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.237 20.159 -5.770 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.461 20.083 -5.682 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.249 21.152 -6.867 1.00 0.00 H new ATOM 323 N GLY A 22 -0.680 19.437 -11.050 1.00 0.00 N ATOM 324 CA GLY A 22 -0.434 20.753 -11.622 1.00 0.00 C ATOM 325 C GLY A 22 0.996 20.967 -12.038 1.00 0.00 C ATOM 326 O GLY A 22 1.257 21.584 -13.070 1.00 0.00 O ATOM 0 H GLY A 22 0.153 18.888 -10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.081 20.891 -12.488 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.710 21.515 -10.893 1.00 0.00 H new ATOM 330 N ILE A 23 1.923 20.451 -11.239 1.00 0.00 N ATOM 331 CA ILE A 23 3.349 20.568 -11.525 1.00 0.00 C ATOM 332 C ILE A 23 3.785 22.034 -11.595 1.00 0.00 C ATOM 333 O ILE A 23 4.916 22.342 -11.973 1.00 0.00 O ATOM 334 CB ILE A 23 3.703 19.832 -12.848 1.00 0.00 C ATOM 335 CG1 ILE A 23 3.804 20.802 -14.036 1.00 0.00 C ATOM 336 CG2 ILE A 23 2.648 18.771 -13.140 1.00 0.00 C ATOM 337 CD1 ILE A 23 4.217 20.135 -15.331 1.00 0.00 C ATOM 0 H ILE A 23 1.710 19.943 -10.380 1.00 0.00 H new ATOM 0 HA ILE A 23 3.892 20.096 -10.706 1.00 0.00 H new ATOM 0 HB ILE A 23 4.679 19.365 -12.718 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.839 21.289 -14.180 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.523 21.585 -13.795 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.897 18.256 -14.068 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.619 18.052 -12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.672 19.246 -13.240 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.267 20.881 -16.124 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.196 19.672 -15.206 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.486 19.372 -15.596 1.00 0.00 H new ATOM 348 N ASN A 24 2.879 22.933 -11.218 1.00 0.00 N ATOM 349 CA ASN A 24 3.162 24.363 -11.236 1.00 0.00 C ATOM 350 C ASN A 24 4.404 24.693 -10.415 1.00 0.00 C ATOM 351 O ASN A 24 5.308 25.376 -10.896 1.00 0.00 O ATOM 352 CB ASN A 24 1.963 25.149 -10.703 1.00 0.00 C ATOM 353 CG ASN A 24 0.710 24.923 -11.527 1.00 0.00 C ATOM 354 OD1 ASN A 24 0.226 23.797 -11.644 1.00 0.00 O ATOM 355 ND2 ASN A 24 0.178 25.995 -12.103 1.00 0.00 N ATOM 0 H ASN A 24 1.941 22.694 -10.896 1.00 0.00 H new ATOM 0 HA ASN A 24 3.350 24.651 -12.270 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.772 24.859 -9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.203 26.212 -10.696 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.665 25.904 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.613 26.909 -11.979 1.00 0.00 H new ATOM 361 N VAL A 25 4.445 24.205 -9.177 1.00 0.00 N ATOM 362 CA VAL A 25 5.581 24.457 -8.295 1.00 0.00 C ATOM 363 C VAL A 25 5.779 23.327 -7.288 1.00 0.00 C ATOM 364 O VAL A 25 6.078 23.574 -6.118 1.00 0.00 O ATOM 365 CB VAL A 25 5.418 25.786 -7.524 1.00 0.00 C ATOM 366 CG1 VAL A 25 5.511 26.977 -8.465 1.00 0.00 C ATOM 367 CG2 VAL A 25 4.099 25.805 -6.764 1.00 0.00 C ATOM 0 H VAL A 25 3.707 23.635 -8.764 1.00 0.00 H new ATOM 0 HA VAL A 25 6.458 24.518 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 25 6.233 25.861 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.393 27.900 -7.897 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.483 26.976 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.724 26.910 -9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.002 26.749 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.273 25.701 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.077 24.979 -6.053 1.00 0.00 H new ATOM 377 N VAL A 26 5.635 22.084 -7.748 1.00 0.00 N ATOM 378 CA VAL A 26 5.823 20.926 -6.878 1.00 0.00 C ATOM 379 C VAL A 26 4.896 21.002 -5.661 1.00 0.00 C ATOM 380 O VAL A 26 5.361 21.082 -4.524 1.00 0.00 O ATOM 381 CB VAL A 26 7.294 20.829 -6.409 1.00 0.00 C ATOM 382 CG1 VAL A 26 7.606 19.451 -5.845 1.00 0.00 C ATOM 383 CG2 VAL A 26 8.242 21.165 -7.551 1.00 0.00 C ATOM 0 H VAL A 26 5.390 21.855 -8.711 1.00 0.00 H new ATOM 0 HA VAL A 26 5.575 20.034 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 26 7.438 21.557 -5.610 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.647 19.416 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.957 19.251 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.437 18.697 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.272 21.092 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.086 20.465 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.048 22.180 -7.898 1.00 0.00 H new ATOM 393 N LYS A 27 3.582 20.988 -5.918 1.00 0.00 N ATOM 394 CA LYS A 27 2.571 21.060 -4.854 1.00 0.00 C ATOM 395 C LYS A 27 2.762 19.922 -3.850 1.00 0.00 C ATOM 396 O LYS A 27 3.785 19.871 -3.169 1.00 0.00 O ATOM 397 CB LYS A 27 1.168 21.020 -5.460 1.00 0.00 C ATOM 398 CG LYS A 27 0.915 22.136 -6.462 1.00 0.00 C ATOM 399 CD LYS A 27 -0.488 22.061 -7.040 1.00 0.00 C ATOM 400 CE LYS A 27 -0.733 23.167 -8.054 1.00 0.00 C ATOM 401 NZ LYS A 27 -0.595 24.521 -7.446 1.00 0.00 N ATOM 0 H LYS A 27 3.192 20.927 -6.859 1.00 0.00 H new ATOM 0 HA LYS A 27 2.692 22.003 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.019 20.059 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.432 21.086 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.058 23.101 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.645 22.074 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.635 21.091 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.219 22.136 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.027 23.066 -8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.733 23.058 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.979 25.235 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.119 24.554 -6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.410 24.721 -7.267 1.00 0.00 H new ATOM 411 N ARG A 28 1.798 18.994 -3.759 1.00 0.00 N ATOM 412 CA ARG A 28 1.946 17.869 -2.837 1.00 0.00 C ATOM 413 C ARG A 28 3.309 17.280 -3.074 1.00 0.00 C ATOM 414 O ARG A 28 4.115 17.152 -2.154 1.00 0.00 O ATOM 415 CB ARG A 28 0.898 16.771 -3.095 1.00 0.00 C ATOM 416 CG ARG A 28 0.723 15.749 -1.971 1.00 0.00 C ATOM 417 CD ARG A 28 2.040 15.125 -1.529 1.00 0.00 C ATOM 418 NE ARG A 28 1.866 14.208 -0.406 1.00 0.00 N ATOM 419 CZ ARG A 28 1.461 14.587 0.803 1.00 0.00 C ATOM 420 NH1 ARG A 28 1.201 15.864 1.051 1.00 0.00 N ATOM 421 NH2 ARG A 28 1.323 13.687 1.767 1.00 0.00 N ATOM 0 H ARG A 28 0.932 19.001 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 28 1.813 18.227 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.064 17.248 -3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.172 16.239 -4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.251 16.233 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.047 14.962 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.486 14.590 -2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.737 15.914 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 28 2.067 13.219 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.311 16.560 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.891 16.150 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.527 12.705 1.581 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.013 13.977 2.694 1.00 0.00 H new ATOM 432 N LYS A 29 3.527 16.941 -4.345 1.00 0.00 N ATOM 433 CA LYS A 29 4.757 16.356 -4.822 1.00 0.00 C ATOM 434 C LYS A 29 5.699 15.995 -3.711 1.00 0.00 C ATOM 435 O LYS A 29 5.342 15.233 -2.807 1.00 0.00 O ATOM 436 CB LYS A 29 5.437 17.248 -5.826 1.00 0.00 C ATOM 437 CG LYS A 29 4.500 17.736 -6.917 1.00 0.00 C ATOM 438 CD LYS A 29 4.921 17.322 -8.312 1.00 0.00 C ATOM 439 CE LYS A 29 6.186 18.017 -8.770 1.00 0.00 C ATOM 440 NZ LYS A 29 5.895 19.312 -9.442 1.00 0.00 N ATOM 0 H LYS A 29 2.831 17.073 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 29 4.478 15.426 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.863 18.108 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.266 16.707 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.498 17.354 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.440 18.823 -6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.075 16.243 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.115 17.544 -9.012 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.836 18.191 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.730 17.367 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.672 19.979 -9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.801 19.158 -10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.008 19.705 -9.068 1.00 0.00 H new ATOM 450 N LEU A 30 6.931 16.461 -3.821 1.00 0.00 N ATOM 451 CA LEU A 30 7.932 16.096 -2.847 1.00 0.00 C ATOM 452 C LEU A 30 8.106 14.610 -3.014 1.00 0.00 C ATOM 453 O LEU A 30 8.710 13.915 -2.197 1.00 0.00 O ATOM 454 CB LEU A 30 7.457 16.425 -1.427 1.00 0.00 C ATOM 455 CG LEU A 30 7.004 17.872 -1.205 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.499 18.058 0.217 1.00 0.00 C ATOM 457 CD2 LEU A 30 8.135 18.847 -1.500 1.00 0.00 C ATOM 0 H LEU A 30 7.254 17.082 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 30 8.864 16.642 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.630 15.761 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.266 16.205 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 30 6.187 18.082 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.181 19.091 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.655 17.391 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.298 17.825 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.788 19.867 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.977 18.639 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.451 18.735 -2.537 1.00 0.00 H new ATOM 468 N GLY A 31 7.501 14.151 -4.109 1.00 0.00 N ATOM 469 CA GLY A 31 7.482 12.777 -4.478 1.00 0.00 C ATOM 470 C GLY A 31 8.849 12.128 -4.629 1.00 0.00 C ATOM 471 O GLY A 31 8.943 11.026 -5.139 1.00 0.00 O ATOM 0 H GLY A 31 7.006 14.755 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.916 12.224 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.944 12.678 -5.421 1.00 0.00 H new ATOM 475 N ALA A 32 9.919 12.796 -4.217 1.00 0.00 N ATOM 476 CA ALA A 32 11.250 12.211 -4.372 1.00 0.00 C ATOM 477 C ALA A 32 12.221 12.548 -3.237 1.00 0.00 C ATOM 478 O ALA A 32 13.405 12.778 -3.491 1.00 0.00 O ATOM 479 CB ALA A 32 11.851 12.632 -5.704 1.00 0.00 C ATOM 0 H ALA A 32 9.898 13.719 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 32 11.107 11.131 -4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.842 12.192 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.211 12.288 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 32 11.931 13.718 -5.740 1.00 0.00 H new ATOM 485 N HIS A 33 11.749 12.529 -1.990 1.00 0.00 N ATOM 486 CA HIS A 33 12.631 12.786 -0.849 1.00 0.00 C ATOM 487 C HIS A 33 11.893 12.695 0.486 1.00 0.00 C ATOM 488 O HIS A 33 10.986 13.474 0.779 1.00 0.00 O ATOM 489 CB HIS A 33 13.347 14.139 -0.978 1.00 0.00 C ATOM 490 CG HIS A 33 12.462 15.333 -0.829 1.00 0.00 C ATOM 491 ND1 HIS A 33 12.573 16.418 -0.027 1.00 0.00 N flip ATOM 492 CD2 HIS A 33 11.323 15.523 -1.575 1.00 0.00 C flip ATOM 493 CE1 HIS A 33 11.508 17.238 -0.305 1.00 0.00 C flip ATOM 494 NE2 HIS A 33 10.771 16.675 -1.242 1.00 0.00 N flip ATOM 0 H HIS A 33 10.777 12.342 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 33 13.385 11.999 -0.862 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.134 14.191 -0.225 1.00 0.00 H new ATOM 0 HB3 HIS A 33 13.834 14.185 -1.952 1.00 0.00 H new ATOM 0 HD1 HIS A 33 13.310 16.593 0.656 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.940 14.838 -2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.307 18.189 0.167 1.00 0.00 H new ATOM 502 N ALA A 34 12.315 11.720 1.285 1.00 0.00 N ATOM 503 CA ALA A 34 11.740 11.471 2.613 1.00 0.00 C ATOM 504 C ALA A 34 12.473 10.329 3.338 1.00 0.00 C ATOM 505 O ALA A 34 13.254 9.603 2.727 1.00 0.00 O ATOM 506 CB ALA A 34 10.257 11.152 2.495 1.00 0.00 C ATOM 0 H ALA A 34 13.066 11.077 1.035 1.00 0.00 H new ATOM 0 HA ALA A 34 11.864 12.378 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.844 10.970 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.739 11.994 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.124 10.264 1.878 1.00 0.00 H new ATOM 512 N ASN A 35 12.208 10.173 4.643 1.00 0.00 N ATOM 513 CA ASN A 35 12.830 9.107 5.449 1.00 0.00 C ATOM 514 C ASN A 35 11.759 8.128 5.937 1.00 0.00 C ATOM 515 O ASN A 35 10.706 8.555 6.402 1.00 0.00 O ATOM 516 CB ASN A 35 13.578 9.706 6.642 1.00 0.00 C ATOM 517 CG ASN A 35 14.700 10.632 6.216 1.00 0.00 C ATOM 518 OD1 ASN A 35 15.640 10.216 5.538 1.00 0.00 O ATOM 519 ND2 ASN A 35 14.606 11.896 6.610 1.00 0.00 N ATOM 0 H ASN A 35 11.567 10.771 5.165 1.00 0.00 H new ATOM 0 HA ASN A 35 13.545 8.570 4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.876 10.255 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.987 8.901 7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.331 12.566 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.809 12.197 7.171 1.00 0.00 H new ATOM 525 N LEU A 36 12.007 6.818 5.799 1.00 0.00 N ATOM 526 CA LEU A 36 11.044 5.814 6.196 1.00 0.00 C ATOM 527 C LEU A 36 11.672 4.448 6.105 1.00 0.00 C ATOM 528 O LEU A 36 12.600 4.266 5.319 1.00 0.00 O ATOM 529 CB LEU A 36 9.845 5.891 5.261 1.00 0.00 C ATOM 530 CG LEU A 36 10.225 5.862 3.782 1.00 0.00 C ATOM 531 CD1 LEU A 36 10.606 4.460 3.347 1.00 0.00 C ATOM 532 CD2 LEU A 36 9.101 6.415 2.922 1.00 0.00 C ATOM 0 H LEU A 36 12.873 6.441 5.413 1.00 0.00 H new ATOM 0 HA LEU A 36 10.725 5.990 7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.175 5.058 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.291 6.806 5.468 1.00 0.00 H new ATOM 0 HG LEU A 36 11.097 6.502 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.872 4.467 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.458 4.116 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.762 3.788 3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.396 6.384 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.204 5.813 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.896 7.446 3.210 1.00 0.00 H new ATOM 543 N LYS A 37 11.192 3.467 6.859 1.00 0.00 N ATOM 544 CA LYS A 37 11.791 2.169 6.713 1.00 0.00 C ATOM 545 C LYS A 37 10.802 1.187 6.098 1.00 0.00 C ATOM 546 O LYS A 37 9.600 1.316 6.323 1.00 0.00 O ATOM 547 CB LYS A 37 12.339 1.648 8.027 1.00 0.00 C ATOM 548 CG LYS A 37 11.269 1.326 9.044 1.00 0.00 C ATOM 549 CD LYS A 37 11.872 1.235 10.428 1.00 0.00 C ATOM 550 CE LYS A 37 12.839 0.065 10.554 1.00 0.00 C ATOM 551 NZ LYS A 37 12.158 -1.243 10.344 1.00 0.00 N ATOM 0 H LYS A 37 10.434 3.544 7.537 1.00 0.00 H new ATOM 0 HA LYS A 37 12.638 2.271 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.928 0.751 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.017 2.390 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.497 2.095 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.786 0.383 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.395 2.164 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.075 1.128 11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.642 0.177 9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.300 0.080 11.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.778 -2.013 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.271 -1.263 10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.949 -1.367 9.333 1.00 0.00 H new ATOM 561 N LEU A 38 11.278 0.210 5.304 1.00 0.00 N ATOM 562 CA LEU A 38 10.368 -0.722 4.697 1.00 0.00 C ATOM 563 C LEU A 38 10.826 -2.139 4.992 1.00 0.00 C ATOM 564 O LEU A 38 11.924 -2.526 4.628 1.00 0.00 O ATOM 565 CB LEU A 38 10.344 -0.493 3.188 1.00 0.00 C ATOM 566 CG LEU A 38 8.988 -0.633 2.494 1.00 0.00 C ATOM 567 CD1 LEU A 38 8.343 -1.972 2.814 1.00 0.00 C ATOM 568 CD2 LEU A 38 8.076 0.521 2.878 1.00 0.00 C ATOM 0 H LEU A 38 12.263 0.064 5.084 1.00 0.00 H new ATOM 0 HA LEU A 38 9.367 -0.575 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.726 0.508 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.037 -1.196 2.726 1.00 0.00 H new ATOM 0 HG LEU A 38 9.150 -0.598 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.381 -2.043 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.992 -2.779 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.193 -2.056 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.115 0.408 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.924 0.521 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.534 1.463 2.576 1.00 0.00 H new ATOM 579 N THR A 39 9.989 -2.895 5.661 1.00 0.00 N ATOM 580 CA THR A 39 10.303 -4.271 6.016 1.00 0.00 C ATOM 581 C THR A 39 9.026 -5.096 5.770 1.00 0.00 C ATOM 582 O THR A 39 7.988 -4.485 5.529 1.00 0.00 O ATOM 583 CB THR A 39 10.751 -4.337 7.484 1.00 0.00 C ATOM 584 OG1 THR A 39 11.854 -3.445 7.692 1.00 0.00 O ATOM 585 CG2 THR A 39 11.165 -5.751 7.870 1.00 0.00 C ATOM 0 H THR A 39 9.071 -2.581 5.977 1.00 0.00 H new ATOM 0 HA THR A 39 11.121 -4.670 5.416 1.00 0.00 H new ATOM 0 HB THR A 39 9.909 -4.041 8.110 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.258 -3.218 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.477 -5.766 8.914 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.321 -6.427 7.733 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.994 -6.073 7.239 1.00 0.00 H new ATOM 593 N ILE A 40 9.044 -6.444 5.792 1.00 0.00 N ATOM 594 CA ILE A 40 7.826 -7.196 5.524 1.00 0.00 C ATOM 595 C ILE A 40 8.011 -8.637 5.996 1.00 0.00 C ATOM 596 O ILE A 40 8.904 -9.336 5.518 1.00 0.00 O ATOM 597 CB ILE A 40 7.522 -7.241 4.004 1.00 0.00 C ATOM 598 CG1 ILE A 40 8.445 -8.210 3.291 1.00 0.00 C ATOM 599 CG2 ILE A 40 7.579 -5.875 3.334 1.00 0.00 C ATOM 600 CD1 ILE A 40 9.921 -7.896 3.427 1.00 0.00 C ATOM 0 H ILE A 40 9.869 -7.011 5.988 1.00 0.00 H new ATOM 0 HA ILE A 40 7.006 -6.705 6.048 1.00 0.00 H new ATOM 0 HB ILE A 40 6.493 -7.592 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.264 -9.213 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.187 -8.224 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.356 -5.981 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.845 -5.213 3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.576 -5.452 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.503 -8.642 2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.122 -6.908 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.201 -7.912 4.480 1.00 0.00 H new ATOM 611 N THR A 41 7.225 -9.104 6.946 1.00 0.00 N ATOM 612 CA THR A 41 7.446 -10.472 7.381 1.00 0.00 C ATOM 613 C THR A 41 6.418 -11.010 8.391 1.00 0.00 C ATOM 614 O THR A 41 6.328 -10.501 9.508 1.00 0.00 O ATOM 615 CB THR A 41 8.882 -10.574 7.930 1.00 0.00 C ATOM 616 OG1 THR A 41 9.195 -11.918 8.307 1.00 0.00 O ATOM 617 CG2 THR A 41 9.112 -9.637 9.096 1.00 0.00 C ATOM 0 H THR A 41 6.472 -8.595 7.409 1.00 0.00 H new ATOM 0 HA THR A 41 7.310 -11.114 6.511 1.00 0.00 H new ATOM 0 HB THR A 41 9.550 -10.271 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.112 -11.956 8.650 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.137 -9.743 9.451 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.943 -8.609 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.422 -9.884 9.903 1.00 0.00 H new ATOM 625 N GLN A 42 5.680 -12.080 8.026 1.00 0.00 N ATOM 626 CA GLN A 42 4.727 -12.692 8.949 1.00 0.00 C ATOM 627 C GLN A 42 4.020 -13.898 8.356 1.00 0.00 C ATOM 628 O GLN A 42 4.146 -15.010 8.870 1.00 0.00 O ATOM 629 CB GLN A 42 3.668 -11.714 9.442 1.00 0.00 C ATOM 630 CG GLN A 42 2.449 -12.430 9.995 1.00 0.00 C ATOM 631 CD GLN A 42 1.393 -11.468 10.513 1.00 0.00 C ATOM 632 OE1 GLN A 42 0.180 -11.565 9.983 1.00 0.00 O flip ATOM 633 NE2 GLN A 42 1.666 -10.647 11.390 1.00 0.00 N flip ATOM 0 H GLN A 42 5.731 -12.526 7.110 1.00 0.00 H new ATOM 0 HA GLN A 42 5.340 -13.013 9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.096 -11.075 10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.365 -11.063 8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.015 -13.056 9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.757 -13.095 10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.611 -10.604 11.772 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.947 -10.010 11.734 1.00 0.00 H new ATOM 640 N GLU A 43 3.254 -13.681 7.297 1.00 0.00 N ATOM 641 CA GLU A 43 2.522 -14.764 6.690 1.00 0.00 C ATOM 642 C GLU A 43 3.156 -15.096 5.369 1.00 0.00 C ATOM 643 O GLU A 43 3.898 -14.259 4.851 1.00 0.00 O ATOM 644 CB GLU A 43 1.062 -14.369 6.475 1.00 0.00 C ATOM 645 CG GLU A 43 0.452 -13.656 7.663 1.00 0.00 C ATOM 646 CD GLU A 43 -0.998 -13.276 7.437 1.00 0.00 C ATOM 647 OE1 GLU A 43 -1.270 -12.509 6.490 1.00 0.00 O ATOM 648 OE2 GLU A 43 -1.861 -13.746 8.207 1.00 0.00 O ATOM 0 H GLU A 43 3.129 -12.773 6.850 1.00 0.00 H new ATOM 0 HA GLU A 43 2.550 -15.632 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.993 -13.724 5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.479 -15.264 6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.522 -14.297 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.030 -12.757 7.878 1.00 0.00 H new ATOM 653 N GLY A 44 2.890 -16.256 4.756 1.00 0.00 N ATOM 654 CA GLY A 44 3.542 -16.387 3.494 1.00 0.00 C ATOM 655 C GLY A 44 2.604 -16.174 2.329 1.00 0.00 C ATOM 656 O GLY A 44 2.312 -17.051 1.516 1.00 0.00 O ATOM 0 H GLY A 44 2.298 -17.021 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.358 -15.667 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.987 -17.379 3.421 1.00 0.00 H new ATOM 660 N ASN A 45 2.317 -14.905 2.227 1.00 0.00 N ATOM 661 CA ASN A 45 1.598 -14.219 1.175 1.00 0.00 C ATOM 662 C ASN A 45 1.462 -12.854 1.770 1.00 0.00 C ATOM 663 O ASN A 45 0.438 -12.559 2.391 1.00 0.00 O ATOM 664 CB ASN A 45 0.219 -14.815 0.870 1.00 0.00 C ATOM 665 CG ASN A 45 -0.579 -15.216 2.109 1.00 0.00 C ATOM 666 OD1 ASN A 45 0.000 -15.061 3.300 1.00 0.00 O flip ATOM 667 ND2 ASN A 45 -1.718 -15.670 1.993 1.00 0.00 N flip ATOM 0 H ASN A 45 2.610 -14.252 2.954 1.00 0.00 H new ATOM 0 HA ASN A 45 2.110 -14.271 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.360 -14.089 0.299 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.347 -15.692 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.133 -15.776 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.246 -15.940 2.823 1.00 0.00 H new ATOM 673 N LYS A 46 2.484 -12.053 1.680 1.00 0.00 N ATOM 674 CA LYS A 46 2.416 -10.779 2.341 1.00 0.00 C ATOM 675 C LYS A 46 3.688 -9.987 2.152 1.00 0.00 C ATOM 676 O LYS A 46 4.733 -10.543 1.821 1.00 0.00 O ATOM 677 CB LYS A 46 2.206 -11.045 3.837 1.00 0.00 C ATOM 678 CG LYS A 46 1.775 -9.849 4.652 1.00 0.00 C ATOM 679 CD LYS A 46 1.899 -10.153 6.130 1.00 0.00 C ATOM 680 CE LYS A 46 3.339 -10.459 6.499 1.00 0.00 C ATOM 681 NZ LYS A 46 4.291 -9.460 5.939 1.00 0.00 N ATOM 0 H LYS A 46 3.348 -12.247 1.174 1.00 0.00 H new ATOM 0 HA LYS A 46 1.598 -10.197 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.456 -11.828 3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.136 -11.432 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.390 -8.986 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.744 -9.588 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.543 -9.303 6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.265 -11.002 6.386 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.437 -10.482 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.602 -11.452 6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.056 -9.953 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.788 -8.834 5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.695 -8.894 6.712 1.00 0.00 H new ATOM 691 N PHE A 47 3.624 -8.722 2.491 1.00 0.00 N ATOM 692 CA PHE A 47 4.790 -7.876 2.497 1.00 0.00 C ATOM 693 C PHE A 47 4.473 -6.796 3.490 1.00 0.00 C ATOM 694 O PHE A 47 3.766 -5.850 3.154 1.00 0.00 O ATOM 695 CB PHE A 47 5.083 -7.251 1.122 1.00 0.00 C ATOM 696 CG PHE A 47 5.322 -8.240 0.015 1.00 0.00 C ATOM 697 CD1 PHE A 47 4.264 -8.909 -0.575 1.00 0.00 C ATOM 698 CD2 PHE A 47 6.607 -8.500 -0.433 1.00 0.00 C ATOM 699 CE1 PHE A 47 4.479 -9.818 -1.588 1.00 0.00 C ATOM 700 CE2 PHE A 47 6.830 -9.410 -1.449 1.00 0.00 C ATOM 701 CZ PHE A 47 5.764 -10.071 -2.028 1.00 0.00 C ATOM 0 H PHE A 47 2.763 -8.252 2.770 1.00 0.00 H new ATOM 0 HA PHE A 47 5.679 -8.453 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.245 -6.612 0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.959 -6.608 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.257 -8.716 -0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.444 -7.986 0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.643 -10.333 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.836 -9.604 -1.790 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.935 -10.783 -2.822 1.00 0.00 H new ATOM 710 N THR A 48 4.951 -6.927 4.729 1.00 0.00 N ATOM 711 CA THR A 48 4.596 -5.908 5.689 1.00 0.00 C ATOM 712 C THR A 48 5.326 -5.912 7.013 1.00 0.00 C ATOM 713 O THR A 48 5.073 -6.718 7.899 1.00 0.00 O ATOM 714 CB THR A 48 3.120 -5.988 5.969 1.00 0.00 C ATOM 715 OG1 THR A 48 2.698 -4.742 6.512 1.00 0.00 O ATOM 716 CG2 THR A 48 2.810 -7.089 6.936 1.00 0.00 C ATOM 0 H THR A 48 5.547 -7.682 5.067 1.00 0.00 H new ATOM 0 HA THR A 48 4.903 -4.981 5.205 1.00 0.00 H new ATOM 0 HB THR A 48 2.592 -6.202 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.560 -4.099 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.736 -7.121 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.136 -8.042 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.332 -6.906 7.875 1.00 0.00 H new ATOM 724 N VAL A 49 6.164 -4.927 7.161 1.00 0.00 N ATOM 725 CA VAL A 49 6.886 -4.691 8.377 1.00 0.00 C ATOM 726 C VAL A 49 7.560 -3.349 8.225 1.00 0.00 C ATOM 727 O VAL A 49 8.497 -3.265 7.500 1.00 0.00 O ATOM 728 CB VAL A 49 7.991 -5.726 8.645 1.00 0.00 C ATOM 729 CG1 VAL A 49 8.832 -5.266 9.818 1.00 0.00 C ATOM 730 CG2 VAL A 49 7.466 -7.120 8.905 1.00 0.00 C ATOM 0 H VAL A 49 6.368 -4.252 6.424 1.00 0.00 H new ATOM 0 HA VAL A 49 6.179 -4.746 9.205 1.00 0.00 H new ATOM 0 HB VAL A 49 8.591 -5.791 7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.617 -5.997 10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.284 -4.301 9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.201 -5.168 10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.302 -7.796 9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.815 -7.106 9.779 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.902 -7.464 8.038 1.00 0.00 H new ATOM 740 N LYS A 50 7.133 -2.272 8.813 1.00 0.00 N ATOM 741 CA LYS A 50 7.877 -1.063 8.528 1.00 0.00 C ATOM 742 C LYS A 50 7.477 0.088 9.423 1.00 0.00 C ATOM 743 O LYS A 50 6.423 0.680 9.224 1.00 0.00 O ATOM 744 CB LYS A 50 7.680 -0.699 7.062 1.00 0.00 C ATOM 745 CG LYS A 50 6.379 -1.215 6.491 1.00 0.00 C ATOM 746 CD LYS A 50 6.237 -0.887 5.027 1.00 0.00 C ATOM 747 CE LYS A 50 4.965 -1.478 4.443 1.00 0.00 C ATOM 748 NZ LYS A 50 4.872 -1.257 2.973 1.00 0.00 N ATOM 0 H LYS A 50 6.338 -2.192 9.447 1.00 0.00 H new ATOM 0 HA LYS A 50 8.931 -1.255 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.711 0.385 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.510 -1.100 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.326 -2.295 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.544 -0.783 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.230 0.195 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.100 -1.269 4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.933 -2.547 4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.100 -1.031 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.035 -0.677 2.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.726 -0.766 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.790 -2.174 2.489 1.00 0.00 H new ATOM 758 N GLU A 51 8.303 0.423 10.397 1.00 0.00 N ATOM 759 CA GLU A 51 7.951 1.519 11.277 1.00 0.00 C ATOM 760 C GLU A 51 8.981 2.653 11.247 1.00 0.00 C ATOM 761 O GLU A 51 9.834 2.735 12.132 1.00 0.00 O ATOM 762 CB GLU A 51 7.923 0.945 12.706 1.00 0.00 C ATOM 763 CG GLU A 51 7.212 -0.398 12.837 1.00 0.00 C ATOM 764 CD GLU A 51 8.045 -1.560 12.331 1.00 0.00 C ATOM 765 OE1 GLU A 51 9.169 -1.752 12.842 1.00 0.00 O ATOM 766 OE2 GLU A 51 7.570 -2.282 11.430 1.00 0.00 O ATOM 0 H GLU A 51 9.194 -0.032 10.595 1.00 0.00 H new ATOM 0 HA GLU A 51 6.995 1.933 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.948 0.834 13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.435 1.665 13.363 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.958 -0.568 13.883 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.274 -0.362 12.283 1.00 0.00 H new ATOM 771 N SER A 52 8.854 3.579 10.284 1.00 0.00 N ATOM 772 CA SER A 52 9.733 4.742 10.241 1.00 0.00 C ATOM 773 C SER A 52 9.320 5.728 9.161 1.00 0.00 C ATOM 774 O SER A 52 9.171 5.353 8.008 1.00 0.00 O ATOM 775 CB SER A 52 11.176 4.318 10.067 1.00 0.00 C ATOM 776 OG SER A 52 11.731 4.768 8.857 1.00 0.00 O ATOM 0 H SER A 52 8.160 3.541 9.538 1.00 0.00 H new ATOM 0 HA SER A 52 9.639 5.257 11.197 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.766 4.703 10.898 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.239 3.231 10.109 1.00 0.00 H new ATOM 0 HG SER A 52 12.698 4.611 8.862 1.00 0.00 H new ATOM 781 N SER A 53 9.181 6.988 9.548 1.00 0.00 N ATOM 782 CA SER A 53 8.857 8.071 8.626 1.00 0.00 C ATOM 783 C SER A 53 8.968 9.410 9.351 1.00 0.00 C ATOM 784 O SER A 53 8.098 9.763 10.146 1.00 0.00 O ATOM 785 CB SER A 53 7.481 7.918 7.968 1.00 0.00 C ATOM 786 OG SER A 53 7.430 6.785 7.122 1.00 0.00 O ATOM 0 H SER A 53 9.290 7.291 10.516 1.00 0.00 H new ATOM 0 HA SER A 53 9.581 8.029 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.716 7.831 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.252 8.814 7.391 1.00 0.00 H new ATOM 0 HG SER A 53 8.237 6.244 7.251 1.00 0.00 H new ATOM 791 N ASN A 54 10.046 10.140 9.073 1.00 0.00 N ATOM 792 CA ASN A 54 10.303 11.443 9.689 1.00 0.00 C ATOM 793 C ASN A 54 10.763 11.308 11.146 1.00 0.00 C ATOM 794 O ASN A 54 11.837 11.794 11.503 1.00 0.00 O ATOM 795 CB ASN A 54 9.066 12.342 9.610 1.00 0.00 C ATOM 796 CG ASN A 54 8.617 12.591 8.182 1.00 0.00 C ATOM 797 OD1 ASN A 54 8.275 11.659 7.455 1.00 0.00 O ATOM 798 ND2 ASN A 54 8.618 13.855 7.774 1.00 0.00 N ATOM 0 H ASN A 54 10.767 9.846 8.414 1.00 0.00 H new ATOM 0 HA ASN A 54 11.112 11.906 9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.251 11.882 10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.283 13.296 10.090 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.327 14.084 6.824 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.910 14.596 8.411 1.00 0.00 H new ATOM 804 N PHE A 55 9.959 10.653 11.990 1.00 0.00 N ATOM 805 CA PHE A 55 10.318 10.478 13.402 1.00 0.00 C ATOM 806 C PHE A 55 9.814 9.139 13.936 1.00 0.00 C ATOM 807 O PHE A 55 10.599 8.232 14.214 1.00 0.00 O ATOM 808 CB PHE A 55 9.734 11.606 14.265 1.00 0.00 C ATOM 809 CG PHE A 55 10.271 12.979 13.961 1.00 0.00 C ATOM 810 CD1 PHE A 55 9.834 13.685 12.850 1.00 0.00 C ATOM 811 CD2 PHE A 55 11.201 13.570 14.801 1.00 0.00 C ATOM 812 CE1 PHE A 55 10.319 14.952 12.582 1.00 0.00 C ATOM 813 CE2 PHE A 55 11.688 14.836 14.538 1.00 0.00 C ATOM 814 CZ PHE A 55 11.247 15.527 13.427 1.00 0.00 C ATOM 0 H PHE A 55 9.065 10.239 11.725 1.00 0.00 H new ATOM 0 HA PHE A 55 11.406 10.504 13.460 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.652 11.619 14.137 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.928 11.380 15.313 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.107 13.240 12.187 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.549 13.035 15.672 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.972 15.491 11.713 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.413 15.285 15.201 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.628 16.516 13.219 1.00 0.00 H new ATOM 823 N ARG A 56 8.497 9.027 14.066 1.00 0.00 N ATOM 824 CA ARG A 56 7.864 7.805 14.556 1.00 0.00 C ATOM 825 C ARG A 56 6.944 7.252 13.481 1.00 0.00 C ATOM 826 O ARG A 56 6.236 8.014 12.828 1.00 0.00 O ATOM 827 CB ARG A 56 7.068 8.083 15.833 1.00 0.00 C ATOM 828 CG ARG A 56 6.391 6.850 16.408 1.00 0.00 C ATOM 829 CD ARG A 56 5.554 7.190 17.630 1.00 0.00 C ATOM 830 NE ARG A 56 4.466 8.110 17.310 1.00 0.00 N ATOM 831 CZ ARG A 56 3.568 8.528 18.198 1.00 0.00 C ATOM 832 NH1 ARG A 56 3.627 8.106 19.454 1.00 0.00 N ATOM 833 NH2 ARG A 56 2.610 9.367 17.829 1.00 0.00 N ATOM 0 H ARG A 56 7.841 9.774 13.837 1.00 0.00 H new ATOM 0 HA ARG A 56 8.638 7.074 14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.737 8.503 16.584 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.311 8.838 15.622 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.757 6.394 15.647 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.146 6.112 16.678 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.141 6.274 18.053 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.192 7.635 18.394 1.00 0.00 H new ATOM 0 HE ARG A 56 4.390 8.451 16.352 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.362 7.460 19.741 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.937 8.428 20.133 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.561 9.692 16.864 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.922 9.687 18.511 1.00 0.00 H new ATOM 844 N ASN A 57 6.957 5.936 13.285 1.00 0.00 N ATOM 845 CA ASN A 57 6.129 5.330 12.272 1.00 0.00 C ATOM 846 C ASN A 57 6.062 3.850 12.461 1.00 0.00 C ATOM 847 O ASN A 57 6.804 3.290 13.254 1.00 0.00 O ATOM 848 CB ASN A 57 6.626 5.662 10.875 1.00 0.00 C ATOM 849 CG ASN A 57 5.719 6.676 10.216 1.00 0.00 C ATOM 850 OD1 ASN A 57 6.059 7.950 10.364 1.00 0.00 O flip ATOM 851 ND2 ASN A 57 4.703 6.324 9.619 1.00 0.00 N flip ATOM 0 H ASN A 57 7.531 5.281 13.816 1.00 0.00 H new ATOM 0 HA ASN A 57 5.126 5.743 12.378 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.642 6.054 10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.666 4.755 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.482 5.332 9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.082 7.024 9.213 1.00 0.00 H new ATOM 857 N ILE A 58 5.146 3.241 11.738 1.00 0.00 N ATOM 858 CA ILE A 58 4.930 1.841 11.782 1.00 0.00 C ATOM 859 C ILE A 58 3.967 1.456 10.723 1.00 0.00 C ATOM 860 O ILE A 58 2.987 2.157 10.466 1.00 0.00 O ATOM 861 CB ILE A 58 4.478 1.372 13.138 1.00 0.00 C ATOM 862 CG1 ILE A 58 3.934 -0.069 13.039 1.00 0.00 C ATOM 863 CG2 ILE A 58 3.475 2.353 13.731 1.00 0.00 C ATOM 864 CD1 ILE A 58 3.366 -0.598 14.337 1.00 0.00 C ATOM 0 H ILE A 58 4.526 3.732 11.094 1.00 0.00 H new ATOM 0 HA ILE A 58 5.882 1.344 11.596 1.00 0.00 H new ATOM 0 HB ILE A 58 5.324 1.346 13.824 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.159 -0.103 12.274 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.737 -0.728 12.709 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.157 2.000 14.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.941 3.333 13.831 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.608 2.429 13.074 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.004 -1.615 14.188 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.143 -0.598 15.101 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.541 0.037 14.659 1.00 0.00 H new ATOM 875 N ASP A 59 4.234 0.348 10.107 1.00 0.00 N ATOM 876 CA ASP A 59 3.377 -0.103 9.086 1.00 0.00 C ATOM 877 C ASP A 59 3.542 -1.588 8.907 1.00 0.00 C ATOM 878 O ASP A 59 4.403 -2.056 8.171 1.00 0.00 O ATOM 879 CB ASP A 59 3.737 0.629 7.801 1.00 0.00 C ATOM 880 CG ASP A 59 2.723 0.408 6.694 1.00 0.00 C ATOM 881 OD1 ASP A 59 2.513 -0.759 6.303 1.00 0.00 O ATOM 882 OD2 ASP A 59 2.138 1.405 6.220 1.00 0.00 O ATOM 0 H ASP A 59 5.037 -0.250 10.300 1.00 0.00 H new ATOM 0 HA ASP A 59 2.338 0.099 9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.817 1.696 8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.718 0.296 7.461 1.00 0.00 H new ATOM 886 N VAL A 60 2.693 -2.326 9.571 1.00 0.00 N ATOM 887 CA VAL A 60 2.735 -3.771 9.459 1.00 0.00 C ATOM 888 C VAL A 60 1.321 -4.368 9.348 1.00 0.00 C ATOM 889 O VAL A 60 0.702 -4.710 10.351 1.00 0.00 O ATOM 890 CB VAL A 60 3.435 -4.362 10.705 1.00 0.00 C ATOM 891 CG1 VAL A 60 4.887 -3.924 10.761 1.00 0.00 C ATOM 892 CG2 VAL A 60 2.730 -3.938 11.987 1.00 0.00 C ATOM 0 H VAL A 60 1.969 -1.962 10.190 1.00 0.00 H new ATOM 0 HA VAL A 60 3.288 -4.024 8.554 1.00 0.00 H new ATOM 0 HB VAL A 60 3.388 -5.448 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.362 -4.350 11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.406 -4.270 9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.937 -2.836 10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.245 -4.369 12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.741 -2.851 12.066 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.699 -4.290 11.969 1.00 0.00 H new ATOM 902 N VAL A 61 0.850 -4.545 8.109 1.00 0.00 N ATOM 903 CA VAL A 61 -0.456 -5.157 7.839 1.00 0.00 C ATOM 904 C VAL A 61 -0.673 -5.393 6.344 1.00 0.00 C ATOM 905 O VAL A 61 -1.013 -4.457 5.620 1.00 0.00 O ATOM 906 CB VAL A 61 -1.637 -4.309 8.371 1.00 0.00 C ATOM 907 CG1 VAL A 61 -1.958 -4.653 9.818 1.00 0.00 C ATOM 908 CG2 VAL A 61 -1.339 -2.824 8.224 1.00 0.00 C ATOM 0 H VAL A 61 1.360 -4.270 7.269 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.439 -6.110 8.368 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.515 -4.546 7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.792 -4.040 10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.228 -5.707 9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.085 -4.459 10.440 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.181 -2.245 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.442 -2.575 8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.180 -2.587 7.172 1.00 0.00 H new ATOM 918 N PHE A 62 -0.521 -6.635 5.883 1.00 0.00 N ATOM 919 CA PHE A 62 -0.738 -6.951 4.466 1.00 0.00 C ATOM 920 C PHE A 62 -1.379 -8.296 4.268 1.00 0.00 C ATOM 921 O PHE A 62 -1.471 -9.125 5.174 1.00 0.00 O ATOM 922 CB PHE A 62 0.544 -6.884 3.631 1.00 0.00 C ATOM 923 CG PHE A 62 0.956 -5.492 3.246 1.00 0.00 C ATOM 924 CD1 PHE A 62 1.310 -4.593 4.217 1.00 0.00 C ATOM 925 CD2 PHE A 62 1.006 -5.093 1.921 1.00 0.00 C ATOM 926 CE1 PHE A 62 1.715 -3.321 3.909 1.00 0.00 C ATOM 927 CE2 PHE A 62 1.407 -3.810 1.589 1.00 0.00 C ATOM 928 CZ PHE A 62 1.765 -2.921 2.587 1.00 0.00 C ATOM 0 H PHE A 62 -0.252 -7.432 6.460 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.419 -6.176 4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.355 -7.349 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.405 -7.474 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.269 -4.895 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.730 -5.787 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.994 -2.635 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.440 -3.504 0.554 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.082 -1.920 2.334 1.00 0.00 H new ATOM 937 N GLU A 63 -1.844 -8.464 3.053 1.00 0.00 N ATOM 938 CA GLU A 63 -2.522 -9.646 2.626 1.00 0.00 C ATOM 939 C GLU A 63 -2.112 -9.931 1.220 1.00 0.00 C ATOM 940 O GLU A 63 -1.630 -9.042 0.514 1.00 0.00 O ATOM 941 CB GLU A 63 -4.034 -9.406 2.671 1.00 0.00 C ATOM 942 CG GLU A 63 -4.863 -10.671 2.506 1.00 0.00 C ATOM 943 CD GLU A 63 -6.347 -10.428 2.696 1.00 0.00 C ATOM 944 OE1 GLU A 63 -6.920 -9.618 1.939 1.00 0.00 O ATOM 945 OE2 GLU A 63 -6.938 -11.053 3.603 1.00 0.00 O ATOM 0 H GLU A 63 -1.755 -7.759 2.321 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.271 -10.485 3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.290 -8.937 3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.304 -8.701 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.691 -11.086 1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.526 -11.417 3.226 1.00 0.00 H new ATOM 950 N LEU A 64 -2.350 -11.151 0.799 1.00 0.00 N ATOM 951 CA LEU A 64 -2.066 -11.528 -0.567 1.00 0.00 C ATOM 952 C LEU A 64 -2.700 -10.466 -1.436 1.00 0.00 C ATOM 953 O LEU A 64 -2.371 -10.316 -2.602 1.00 0.00 O ATOM 954 CB LEU A 64 -2.673 -12.884 -0.891 1.00 0.00 C ATOM 955 CG LEU A 64 -2.066 -13.614 -2.094 1.00 0.00 C ATOM 956 CD1 LEU A 64 -2.335 -15.106 -1.999 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.626 -13.063 -3.398 1.00 0.00 C ATOM 0 H LEU A 64 -2.737 -11.896 1.378 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.991 -11.604 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.575 -13.524 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.740 -12.750 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.989 -13.449 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.898 -15.610 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.890 -15.498 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.411 -15.282 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.181 -13.596 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.708 -13.197 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.390 -12.002 -3.475 1.00 0.00 H new ATOM 968 N GLY A 65 -3.607 -9.723 -0.782 1.00 0.00 N ATOM 969 CA GLY A 65 -4.340 -8.615 -1.369 1.00 0.00 C ATOM 970 C GLY A 65 -4.958 -7.784 -0.249 1.00 0.00 C ATOM 971 O GLY A 65 -6.120 -7.984 0.106 1.00 0.00 O ATOM 0 H GLY A 65 -3.849 -9.889 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.673 -7.999 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.118 -8.988 -2.035 1.00 0.00 H new ATOM 975 N VAL A 66 -4.146 -6.922 0.381 1.00 0.00 N ATOM 976 CA VAL A 66 -4.593 -6.154 1.550 1.00 0.00 C ATOM 977 C VAL A 66 -4.992 -4.704 1.283 1.00 0.00 C ATOM 978 O VAL A 66 -4.402 -4.035 0.467 1.00 0.00 O ATOM 979 CB VAL A 66 -3.466 -6.108 2.576 1.00 0.00 C ATOM 980 CG1 VAL A 66 -2.548 -4.935 2.272 1.00 0.00 C ATOM 981 CG2 VAL A 66 -4.019 -6.056 3.989 1.00 0.00 C ATOM 0 H VAL A 66 -3.182 -6.741 0.102 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.487 -6.676 1.891 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.877 -7.023 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.743 -4.903 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.125 -5.053 1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.117 -4.006 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.195 -6.024 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.635 -5.164 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.625 -6.943 4.175 1.00 0.00 H new ATOM 991 N ASP A 67 -5.977 -4.211 2.033 1.00 0.00 N ATOM 992 CA ASP A 67 -6.439 -2.843 1.868 1.00 0.00 C ATOM 993 C ASP A 67 -5.870 -1.855 2.869 1.00 0.00 C ATOM 994 O ASP A 67 -5.465 -2.187 3.984 1.00 0.00 O ATOM 995 CB ASP A 67 -7.967 -2.747 1.868 1.00 0.00 C ATOM 996 CG ASP A 67 -8.578 -3.067 3.221 1.00 0.00 C ATOM 997 OD1 ASP A 67 -8.293 -2.336 4.192 1.00 0.00 O ATOM 998 OD2 ASP A 67 -9.345 -4.049 3.306 1.00 0.00 O ATOM 0 H ASP A 67 -6.465 -4.739 2.756 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.053 -2.555 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.263 -1.741 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.369 -3.432 1.122 1.00 0.00 H new ATOM 1002 N PHE A 68 -5.862 -0.622 2.389 1.00 0.00 N ATOM 1003 CA PHE A 68 -5.379 0.549 3.079 1.00 0.00 C ATOM 1004 C PHE A 68 -6.381 1.641 2.893 1.00 0.00 C ATOM 1005 O PHE A 68 -7.030 1.702 1.852 1.00 0.00 O ATOM 1006 CB PHE A 68 -4.076 1.034 2.457 1.00 0.00 C ATOM 1007 CG PHE A 68 -2.848 0.326 2.959 1.00 0.00 C ATOM 1008 CD1 PHE A 68 -2.782 -1.057 2.996 1.00 0.00 C ATOM 1009 CD2 PHE A 68 -1.762 1.059 3.406 1.00 0.00 C ATOM 1010 CE1 PHE A 68 -1.652 -1.694 3.471 1.00 0.00 C ATOM 1011 CE2 PHE A 68 -0.632 0.428 3.884 1.00 0.00 C ATOM 1012 CZ PHE A 68 -0.578 -0.949 3.915 1.00 0.00 C ATOM 0 H PHE A 68 -6.213 -0.406 1.456 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.223 0.302 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.135 0.911 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.970 2.101 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.621 -1.642 2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.800 2.138 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.609 -2.773 3.495 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.208 1.011 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.306 -1.446 4.287 1.00 0.00 H new ATOM 1021 N ALA A 69 -6.509 2.526 3.849 1.00 0.00 N ATOM 1022 CA ALA A 69 -7.439 3.596 3.649 1.00 0.00 C ATOM 1023 C ALA A 69 -7.285 4.732 4.656 1.00 0.00 C ATOM 1024 O ALA A 69 -7.800 4.701 5.774 1.00 0.00 O ATOM 1025 CB ALA A 69 -8.841 3.013 3.613 1.00 0.00 C ATOM 0 H ALA A 69 -6.004 2.527 4.735 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.226 4.073 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.564 3.814 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.916 2.296 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.050 2.509 4.557 1.00 0.00 H new ATOM 1031 N TYR A 70 -6.584 5.751 4.175 1.00 0.00 N ATOM 1032 CA TYR A 70 -6.303 7.001 4.889 1.00 0.00 C ATOM 1033 C TYR A 70 -5.783 7.989 3.877 1.00 0.00 C ATOM 1034 O TYR A 70 -5.306 7.601 2.839 1.00 0.00 O ATOM 1035 CB TYR A 70 -5.297 6.829 6.034 1.00 0.00 C ATOM 1036 CG TYR A 70 -4.819 5.409 6.264 1.00 0.00 C ATOM 1037 CD1 TYR A 70 -4.013 4.765 5.333 1.00 0.00 C ATOM 1038 CD2 TYR A 70 -5.164 4.719 7.420 1.00 0.00 C ATOM 1039 CE1 TYR A 70 -3.570 3.473 5.545 1.00 0.00 C ATOM 1040 CE2 TYR A 70 -4.723 3.429 7.640 1.00 0.00 C ATOM 1041 CZ TYR A 70 -3.927 2.810 6.700 1.00 0.00 C ATOM 1042 OH TYR A 70 -3.485 1.524 6.916 1.00 0.00 O ATOM 0 H TYR A 70 -6.177 5.734 3.240 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.223 7.352 5.357 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.431 7.459 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.752 7.196 6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.728 5.283 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.788 5.200 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.947 2.985 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.000 2.908 8.544 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.825 1.202 7.777 1.00 0.00 H new ATOM 1051 N SER A 71 -5.900 9.268 4.128 1.00 0.00 N ATOM 1052 CA SER A 71 -5.477 10.198 3.118 1.00 0.00 C ATOM 1053 C SER A 71 -4.071 10.683 3.381 1.00 0.00 C ATOM 1054 O SER A 71 -3.811 11.518 4.248 1.00 0.00 O ATOM 1055 CB SER A 71 -6.475 11.343 3.036 1.00 0.00 C ATOM 1056 OG SER A 71 -6.163 12.252 2.003 1.00 0.00 O ATOM 0 H SER A 71 -6.269 9.676 4.987 1.00 0.00 H new ATOM 0 HA SER A 71 -5.454 9.697 2.150 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.474 10.940 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.496 11.872 3.989 1.00 0.00 H new ATOM 0 HG SER A 71 -5.652 11.791 1.305 1.00 0.00 H new ATOM 1061 N LEU A 72 -3.178 10.099 2.601 1.00 0.00 N ATOM 1062 CA LEU A 72 -1.750 10.374 2.667 1.00 0.00 C ATOM 1063 C LEU A 72 -1.477 11.876 2.685 1.00 0.00 C ATOM 1064 O LEU A 72 -0.498 12.329 3.280 1.00 0.00 O ATOM 1065 CB LEU A 72 -1.040 9.709 1.483 1.00 0.00 C ATOM 1066 CG LEU A 72 -1.158 8.179 1.444 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -0.421 7.603 0.245 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -0.627 7.571 2.735 1.00 0.00 C ATOM 0 H LEU A 72 -3.427 9.409 1.892 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.360 9.958 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.447 10.115 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.016 9.978 1.512 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.214 7.925 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.522 6.518 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.847 8.009 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.634 7.869 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.718 6.486 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.421 7.842 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.203 7.949 3.579 1.00 0.00 H new ATOM 1079 N ALA A 73 -2.346 12.646 2.032 1.00 0.00 N ATOM 1080 CA ALA A 73 -2.190 14.097 1.980 1.00 0.00 C ATOM 1081 C ALA A 73 -3.418 14.820 2.531 1.00 0.00 C ATOM 1082 O ALA A 73 -3.316 15.591 3.486 1.00 0.00 O ATOM 1083 CB ALA A 73 -1.914 14.542 0.552 1.00 0.00 C ATOM 0 H ALA A 73 -3.162 12.290 1.534 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.342 14.362 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.799 15.626 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.998 14.071 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.746 14.249 -0.088 1.00 0.00 H new ATOM 1089 N ASP A 74 -4.578 14.575 1.923 1.00 0.00 N ATOM 1090 CA ASP A 74 -5.820 15.213 2.357 1.00 0.00 C ATOM 1091 C ASP A 74 -6.338 14.590 3.655 1.00 0.00 C ATOM 1092 O ASP A 74 -5.552 14.195 4.517 1.00 0.00 O ATOM 1093 CB ASP A 74 -6.878 15.107 1.255 1.00 0.00 C ATOM 1094 CG ASP A 74 -6.455 15.803 -0.023 1.00 0.00 C ATOM 1095 OD1 ASP A 74 -6.220 17.030 0.019 1.00 0.00 O ATOM 1096 OD2 ASP A 74 -6.358 15.123 -1.067 1.00 0.00 O ATOM 0 H ASP A 74 -4.684 13.941 1.131 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.612 16.265 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.075 14.056 1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.813 15.542 1.610 1.00 0.00 H new ATOM 1100 N GLY A 75 -7.663 14.501 3.792 1.00 0.00 N ATOM 1101 CA GLY A 75 -8.248 13.922 4.991 1.00 0.00 C ATOM 1102 C GLY A 75 -8.945 12.599 4.724 1.00 0.00 C ATOM 1103 O GLY A 75 -9.993 12.562 4.080 1.00 0.00 O ATOM 0 H GLY A 75 -8.338 14.819 3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.466 13.772 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.963 14.625 5.417 1.00 0.00 H new ATOM 1107 N THR A 76 -8.351 11.516 5.225 1.00 0.00 N ATOM 1108 CA THR A 76 -8.894 10.169 5.052 1.00 0.00 C ATOM 1109 C THR A 76 -9.229 9.901 3.593 1.00 0.00 C ATOM 1110 O THR A 76 -10.303 10.244 3.101 1.00 0.00 O ATOM 1111 CB THR A 76 -10.134 9.942 5.938 1.00 0.00 C ATOM 1112 OG1 THR A 76 -9.946 10.581 7.207 1.00 0.00 O ATOM 1113 CG2 THR A 76 -10.372 8.459 6.163 1.00 0.00 C ATOM 0 H THR A 76 -7.483 11.547 5.760 1.00 0.00 H new ATOM 0 HA THR A 76 -8.123 9.465 5.366 1.00 0.00 H new ATOM 0 HB THR A 76 -10.999 10.367 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.737 10.436 7.767 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.252 8.323 6.791 1.00 0.00 H new ATOM 0 HG22 THR A 76 -10.531 7.966 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.504 8.022 6.656 1.00 0.00 H new ATOM 1121 N GLU A 77 -8.261 9.305 2.911 1.00 0.00 N ATOM 1122 CA GLU A 77 -8.368 8.996 1.504 1.00 0.00 C ATOM 1123 C GLU A 77 -7.273 8.058 1.034 1.00 0.00 C ATOM 1124 O GLU A 77 -6.160 8.494 0.728 1.00 0.00 O ATOM 1125 CB GLU A 77 -8.271 10.265 0.715 1.00 0.00 C ATOM 1126 CG GLU A 77 -8.001 10.008 -0.738 1.00 0.00 C ATOM 1127 CD GLU A 77 -7.667 11.266 -1.518 1.00 0.00 C ATOM 1128 OE1 GLU A 77 -7.634 12.353 -0.905 1.00 0.00 O ATOM 1129 OE2 GLU A 77 -7.439 11.162 -2.741 1.00 0.00 O ATOM 0 H GLU A 77 -7.374 9.023 3.328 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.328 8.502 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.200 10.826 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.476 10.887 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.175 9.303 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.875 9.533 -1.184 1.00 0.00 H new ATOM 1134 N LEU A 78 -7.595 6.786 0.909 1.00 0.00 N ATOM 1135 CA LEU A 78 -6.638 5.837 0.401 1.00 0.00 C ATOM 1136 C LEU A 78 -7.232 4.472 0.172 1.00 0.00 C ATOM 1137 O LEU A 78 -8.323 4.136 0.630 1.00 0.00 O ATOM 1138 CB LEU A 78 -5.399 5.736 1.280 1.00 0.00 C ATOM 1139 CG LEU A 78 -4.400 4.634 0.939 1.00 0.00 C ATOM 1140 CD1 LEU A 78 -3.700 4.930 -0.382 1.00 0.00 C ATOM 1141 CD2 LEU A 78 -3.380 4.470 2.055 1.00 0.00 C ATOM 0 H LEU A 78 -8.505 6.393 1.151 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.332 6.228 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.876 6.692 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.724 5.592 2.310 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.950 3.699 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.992 4.132 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.440 4.993 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.166 5.877 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.677 3.680 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.839 5.406 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.892 4.207 2.980 1.00 0.00 H new ATOM 1152 N THR A 79 -6.479 3.717 -0.572 1.00 0.00 N ATOM 1153 CA THR A 79 -6.829 2.389 -0.961 1.00 0.00 C ATOM 1154 C THR A 79 -5.853 1.391 -0.538 1.00 0.00 C ATOM 1155 O THR A 79 -4.698 1.685 -0.237 1.00 0.00 O ATOM 1156 CB THR A 79 -6.773 2.242 -2.454 1.00 0.00 C ATOM 1157 OG1 THR A 79 -5.601 1.492 -2.818 1.00 0.00 O ATOM 1158 CG2 THR A 79 -6.738 3.597 -3.108 1.00 0.00 C ATOM 0 H THR A 79 -5.576 4.021 -0.935 1.00 0.00 H new ATOM 0 HA THR A 79 -7.812 2.236 -0.515 1.00 0.00 H new ATOM 0 HB THR A 79 -7.663 1.712 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.513 1.476 -3.794 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.697 3.478 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.635 4.155 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.856 4.142 -2.770 1.00 0.00 H new ATOM 1166 N GLY A 80 -6.306 0.183 -0.657 1.00 0.00 N ATOM 1167 CA GLY A 80 -5.451 -0.865 -0.420 1.00 0.00 C ATOM 1168 C GLY A 80 -5.819 -2.210 -0.961 1.00 0.00 C ATOM 1169 O GLY A 80 -6.916 -2.732 -0.780 1.00 0.00 O ATOM 0 H GLY A 80 -7.260 -0.070 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.475 -0.598 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.332 -0.961 0.659 1.00 0.00 H new ATOM 1173 N THR A 81 -4.794 -2.790 -1.489 1.00 0.00 N ATOM 1174 CA THR A 81 -4.755 -4.142 -1.943 1.00 0.00 C ATOM 1175 C THR A 81 -3.386 -4.380 -2.437 1.00 0.00 C ATOM 1176 O THR A 81 -2.755 -3.487 -2.990 1.00 0.00 O ATOM 1177 CB THR A 81 -5.727 -4.568 -3.025 1.00 0.00 C ATOM 1178 OG1 THR A 81 -6.952 -3.882 -2.902 1.00 0.00 O ATOM 1179 CG2 THR A 81 -5.998 -6.057 -2.940 1.00 0.00 C ATOM 0 H THR A 81 -3.907 -2.305 -1.624 1.00 0.00 H new ATOM 0 HA THR A 81 -5.061 -4.737 -1.082 1.00 0.00 H new ATOM 0 HB THR A 81 -5.271 -4.328 -3.986 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.228 -3.871 -1.962 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.698 -6.345 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.064 -6.605 -3.068 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.427 -6.294 -1.966 1.00 0.00 H new ATOM 1187 N TRP A 82 -2.936 -5.560 -2.275 1.00 0.00 N ATOM 1188 CA TRP A 82 -1.648 -5.908 -2.779 1.00 0.00 C ATOM 1189 C TRP A 82 -1.676 -7.349 -3.224 1.00 0.00 C ATOM 1190 O TRP A 82 -1.530 -8.245 -2.407 1.00 0.00 O ATOM 1191 CB TRP A 82 -0.583 -5.676 -1.717 1.00 0.00 C ATOM 1192 CG TRP A 82 -0.535 -4.248 -1.319 1.00 0.00 C ATOM 1193 CD1 TRP A 82 -1.382 -3.609 -0.475 1.00 0.00 C ATOM 1194 CD2 TRP A 82 0.367 -3.272 -1.809 1.00 0.00 C ATOM 1195 NE1 TRP A 82 -1.073 -2.284 -0.412 1.00 0.00 N ATOM 1196 CE2 TRP A 82 0.023 -2.044 -1.217 1.00 0.00 C ATOM 1197 CE3 TRP A 82 1.438 -3.331 -2.689 1.00 0.00 C ATOM 1198 CZ2 TRP A 82 0.728 -0.867 -1.494 1.00 0.00 C ATOM 1199 CZ3 TRP A 82 2.139 -2.185 -2.964 1.00 0.00 C ATOM 1200 CH2 TRP A 82 1.787 -0.967 -2.371 1.00 0.00 C ATOM 0 H TRP A 82 -3.433 -6.312 -1.797 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.398 -5.277 -3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.793 -6.294 -0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.390 -5.984 -2.099 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -2.186 -4.082 0.069 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.570 -1.584 0.139 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.716 -4.267 -3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.455 0.075 -1.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 2.974 -2.223 -3.648 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.360 -0.082 -2.607 1.00 0.00 H new ATOM 1210 N THR A 83 -1.860 -7.560 -4.527 1.00 0.00 N ATOM 1211 CA THR A 83 -1.918 -8.905 -5.070 1.00 0.00 C ATOM 1212 C THR A 83 -0.985 -9.092 -6.248 1.00 0.00 C ATOM 1213 O THR A 83 -1.357 -8.885 -7.402 1.00 0.00 O ATOM 1214 CB THR A 83 -3.338 -9.183 -5.574 1.00 0.00 C ATOM 1215 OG1 THR A 83 -3.943 -7.949 -6.040 1.00 0.00 O ATOM 1216 CG2 THR A 83 -4.205 -9.826 -4.493 1.00 0.00 C ATOM 0 H THR A 83 -1.970 -6.818 -5.218 1.00 0.00 H new ATOM 0 HA THR A 83 -1.622 -9.584 -4.270 1.00 0.00 H new ATOM 0 HB THR A 83 -3.271 -9.889 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.344 -7.513 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.204 -10.008 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.760 -10.772 -4.184 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.271 -9.158 -3.634 1.00 0.00 H new ATOM 1224 N MET A 84 0.218 -9.499 -5.954 1.00 0.00 N ATOM 1225 CA MET A 84 1.211 -9.695 -6.963 1.00 0.00 C ATOM 1226 C MET A 84 1.645 -11.096 -7.227 1.00 0.00 C ATOM 1227 O MET A 84 1.303 -12.078 -6.572 1.00 0.00 O ATOM 1228 CB MET A 84 2.470 -8.965 -6.643 1.00 0.00 C ATOM 1229 CG MET A 84 2.957 -9.114 -5.222 1.00 0.00 C ATOM 1230 SD MET A 84 3.230 -10.814 -4.677 1.00 0.00 S ATOM 1231 CE MET A 84 1.619 -11.214 -4.010 1.00 0.00 C ATOM 0 H MET A 84 0.534 -9.703 -5.006 1.00 0.00 H new ATOM 0 HA MET A 84 0.688 -9.324 -7.844 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.253 -9.312 -7.317 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.319 -7.905 -6.849 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.890 -8.561 -5.115 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.231 -8.648 -4.555 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.727 -11.952 -3.215 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.158 -10.312 -3.608 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.989 -11.622 -4.800 1.00 0.00 H new ATOM 1239 N GLU A 85 2.521 -11.071 -8.183 1.00 0.00 N ATOM 1240 CA GLU A 85 3.261 -12.176 -8.649 1.00 0.00 C ATOM 1241 C GLU A 85 4.601 -12.015 -7.953 1.00 0.00 C ATOM 1242 O GLU A 85 4.804 -11.007 -7.274 1.00 0.00 O ATOM 1243 CB GLU A 85 3.426 -12.069 -10.155 1.00 0.00 C ATOM 1244 CG GLU A 85 4.299 -13.152 -10.767 1.00 0.00 C ATOM 1245 CD GLU A 85 4.491 -12.971 -12.259 1.00 0.00 C ATOM 1246 OE1 GLU A 85 5.028 -11.919 -12.665 1.00 0.00 O ATOM 1247 OE2 GLU A 85 4.102 -13.880 -13.023 1.00 0.00 O ATOM 0 H GLU A 85 2.745 -10.212 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 85 2.794 -13.140 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.441 -12.107 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.854 -11.095 -10.394 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.272 -13.150 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.849 -14.127 -10.578 1.00 0.00 H new ATOM 1252 N GLY A 86 5.507 -12.950 -8.068 1.00 0.00 N ATOM 1253 CA GLY A 86 6.758 -12.764 -7.370 1.00 0.00 C ATOM 1254 C GLY A 86 7.774 -12.099 -8.263 1.00 0.00 C ATOM 1255 O GLY A 86 8.389 -12.731 -9.115 1.00 0.00 O ATOM 0 H GLY A 86 5.416 -13.809 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.596 -12.156 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.139 -13.728 -7.033 1.00 0.00 H new ATOM 1259 N ASN A 87 7.899 -10.787 -8.024 1.00 0.00 N ATOM 1260 CA ASN A 87 8.787 -9.870 -8.742 1.00 0.00 C ATOM 1261 C ASN A 87 8.270 -8.447 -8.567 1.00 0.00 C ATOM 1262 O ASN A 87 8.921 -7.484 -8.972 1.00 0.00 O ATOM 1263 CB ASN A 87 8.875 -10.172 -10.249 1.00 0.00 C ATOM 1264 CG ASN A 87 9.898 -11.242 -10.587 1.00 0.00 C ATOM 1265 OD1 ASN A 87 11.056 -11.160 -10.177 1.00 0.00 O ATOM 1266 ND2 ASN A 87 9.481 -12.243 -11.354 1.00 0.00 N ATOM 0 H ASN A 87 7.361 -10.319 -7.295 1.00 0.00 H new ATOM 0 HA ASN A 87 9.785 -9.995 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.896 -10.489 -10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.128 -9.256 -10.782 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.129 -12.982 -11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.512 -12.272 -11.672 1.00 0.00 H new ATOM 1272 N LYS A 88 7.071 -8.328 -7.991 1.00 0.00 N ATOM 1273 CA LYS A 88 6.437 -7.039 -7.795 1.00 0.00 C ATOM 1274 C LYS A 88 5.290 -7.189 -6.852 1.00 0.00 C ATOM 1275 O LYS A 88 4.884 -8.296 -6.610 1.00 0.00 O ATOM 1276 CB LYS A 88 5.829 -6.538 -9.107 1.00 0.00 C ATOM 1277 CG LYS A 88 4.374 -7.026 -9.361 1.00 0.00 C ATOM 1278 CD LYS A 88 4.211 -8.553 -9.252 1.00 0.00 C ATOM 1279 CE LYS A 88 5.199 -9.301 -10.138 1.00 0.00 C ATOM 1280 NZ LYS A 88 5.162 -8.854 -11.554 1.00 0.00 N ATOM 0 H LYS A 88 6.524 -9.120 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 88 7.194 -6.351 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.840 -5.448 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.459 -6.863 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.708 -6.545 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.060 -6.705 -10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.351 -8.859 -8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.194 -8.829 -9.531 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.207 -9.164 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.982 -10.368 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.216 -9.682 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.275 -8.341 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.969 -8.225 -11.741 1.00 0.00 H new ATOM 1290 N LEU A 89 4.769 -6.079 -6.354 1.00 0.00 N ATOM 1291 CA LEU A 89 3.626 -6.093 -5.511 1.00 0.00 C ATOM 1292 C LEU A 89 2.453 -5.522 -6.270 1.00 0.00 C ATOM 1293 O LEU A 89 2.570 -4.411 -6.737 1.00 0.00 O ATOM 1294 CB LEU A 89 3.845 -5.206 -4.326 1.00 0.00 C ATOM 1295 CG LEU A 89 3.894 -5.971 -3.034 1.00 0.00 C ATOM 1296 CD1 LEU A 89 3.868 -5.042 -1.829 1.00 0.00 C ATOM 1297 CD2 LEU A 89 2.777 -7.012 -2.960 1.00 0.00 C ATOM 0 H LEU A 89 5.143 -5.147 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 89 3.444 -7.119 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.778 -4.657 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.045 -4.467 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 89 4.844 -6.505 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.905 -5.632 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.729 -4.375 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.951 -4.452 -1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.841 -7.548 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.810 -6.514 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.882 -7.718 -3.784 1.00 0.00 H new ATOM 1308 N VAL A 90 1.318 -6.198 -6.416 1.00 0.00 N ATOM 1309 CA VAL A 90 0.267 -5.514 -7.169 1.00 0.00 C ATOM 1310 C VAL A 90 -1.150 -5.789 -6.709 1.00 0.00 C ATOM 1311 O VAL A 90 -1.738 -6.801 -7.012 1.00 0.00 O ATOM 1312 CB VAL A 90 0.394 -5.776 -8.668 1.00 0.00 C ATOM 1313 CG1 VAL A 90 1.545 -4.986 -9.201 1.00 0.00 C ATOM 1314 CG2 VAL A 90 0.535 -7.257 -8.974 1.00 0.00 C ATOM 0 H VAL A 90 1.108 -7.131 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 90 0.439 -4.458 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.521 -5.454 -9.165 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.645 -5.166 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.370 -3.924 -9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.461 -5.291 -8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.623 -7.399 -10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.427 -7.647 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.343 -7.789 -8.608 1.00 0.00 H new ATOM 1324 N GLY A 91 -1.697 -4.821 -6.006 1.00 0.00 N ATOM 1325 CA GLY A 91 -3.053 -4.909 -5.488 1.00 0.00 C ATOM 1326 C GLY A 91 -3.633 -3.561 -5.302 1.00 0.00 C ATOM 1327 O GLY A 91 -2.893 -2.599 -5.159 1.00 0.00 O ATOM 0 H GLY A 91 -1.218 -3.950 -5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.673 -5.485 -6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.050 -5.443 -4.538 1.00 0.00 H new ATOM 1331 N LYS A 92 -4.948 -3.448 -5.337 1.00 0.00 N ATOM 1332 CA LYS A 92 -5.505 -2.142 -5.238 1.00 0.00 C ATOM 1333 C LYS A 92 -6.926 -2.040 -4.779 1.00 0.00 C ATOM 1334 O LYS A 92 -7.745 -2.950 -4.889 1.00 0.00 O ATOM 1335 CB LYS A 92 -5.352 -1.564 -6.584 1.00 0.00 C ATOM 1336 CG LYS A 92 -6.383 -0.509 -6.986 1.00 0.00 C ATOM 1337 CD LYS A 92 -6.617 -0.482 -8.492 1.00 0.00 C ATOM 1338 CE LYS A 92 -5.343 -0.682 -9.289 1.00 0.00 C ATOM 1339 NZ LYS A 92 -5.576 -1.432 -10.544 1.00 0.00 N ATOM 0 H LYS A 92 -5.613 -4.216 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.975 -1.609 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.360 -1.118 -6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.390 -2.375 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.325 -0.711 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.045 0.473 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.332 -1.260 -8.758 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.067 0.472 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.908 0.289 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.616 -1.217 -8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.676 -1.544 -11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.966 -2.370 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.250 -0.910 -11.140 1.00 0.00 H new ATOM 1349 N PHE A 93 -7.163 -0.858 -4.278 1.00 0.00 N ATOM 1350 CA PHE A 93 -8.408 -0.435 -3.750 1.00 0.00 C ATOM 1351 C PHE A 93 -8.577 0.965 -4.103 1.00 0.00 C ATOM 1352 O PHE A 93 -7.695 1.552 -4.718 1.00 0.00 O ATOM 1353 CB PHE A 93 -8.461 -0.558 -2.257 1.00 0.00 C ATOM 1354 CG PHE A 93 -9.460 -1.568 -1.812 1.00 0.00 C ATOM 1355 CD1 PHE A 93 -9.446 -2.821 -2.373 1.00 0.00 C ATOM 1356 CD2 PHE A 93 -10.407 -1.268 -0.852 1.00 0.00 C ATOM 1357 CE1 PHE A 93 -10.358 -3.780 -1.986 1.00 0.00 C ATOM 1358 CE2 PHE A 93 -11.329 -2.218 -0.455 1.00 0.00 C ATOM 1359 CZ PHE A 93 -11.303 -3.479 -1.022 1.00 0.00 C ATOM 0 H PHE A 93 -6.446 -0.134 -4.230 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.195 -1.066 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -7.476 -0.834 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -8.708 0.411 -1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.711 -3.059 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -10.427 -0.284 -0.408 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.335 -4.762 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -12.067 -1.976 0.295 1.00 0.00 H new ATOM 0 HZ PHE A 93 -12.019 -4.227 -0.713 1.00 0.00 H new ATOM 1368 N LYS A 94 -9.679 1.512 -3.707 1.00 0.00 N ATOM 1369 CA LYS A 94 -9.911 2.865 -3.957 1.00 0.00 C ATOM 1370 C LYS A 94 -9.627 3.658 -2.689 1.00 0.00 C ATOM 1371 O LYS A 94 -9.559 3.105 -1.594 1.00 0.00 O ATOM 1372 CB LYS A 94 -11.310 3.092 -4.401 1.00 0.00 C ATOM 1373 CG LYS A 94 -12.239 3.176 -3.231 1.00 0.00 C ATOM 1374 CD LYS A 94 -12.465 1.814 -2.580 1.00 0.00 C ATOM 1375 CE LYS A 94 -12.870 1.940 -1.121 1.00 0.00 C ATOM 1376 NZ LYS A 94 -11.713 2.298 -0.249 1.00 0.00 N ATOM 0 H LYS A 94 -10.425 1.027 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.250 3.197 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.366 4.013 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.622 2.281 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.831 3.867 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.195 3.585 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.240 1.275 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.553 1.222 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.646 2.700 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.302 0.998 -0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.675 1.648 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.831 2.223 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.826 3.273 0.095 1.00 0.00 H new ATOM 1386 N ARG A 95 -9.397 4.933 -2.870 1.00 0.00 N ATOM 1387 CA ARG A 95 -9.035 5.840 -1.775 1.00 0.00 C ATOM 1388 C ARG A 95 -10.031 5.891 -0.603 1.00 0.00 C ATOM 1389 O ARG A 95 -10.723 4.913 -0.322 1.00 0.00 O ATOM 1390 CB ARG A 95 -8.872 7.227 -2.338 1.00 0.00 C ATOM 1391 CG ARG A 95 -10.115 7.777 -3.012 1.00 0.00 C ATOM 1392 CD ARG A 95 -10.881 8.699 -2.152 1.00 0.00 C ATOM 1393 NE ARG A 95 -11.978 8.082 -1.386 1.00 0.00 N ATOM 1394 CZ ARG A 95 -12.412 6.819 -1.420 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -11.924 5.919 -2.242 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -13.349 6.455 -0.564 1.00 0.00 N ATOM 0 H ARG A 95 -9.452 5.388 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.111 5.445 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.581 7.901 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.055 7.220 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.826 8.297 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.757 6.948 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.193 9.173 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.296 9.491 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.472 8.702 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.180 6.172 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.289 4.966 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.723 7.132 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.699 5.497 -0.568 1.00 0.00 H new ATOM 1407 N VAL A 96 -10.133 7.072 0.062 1.00 0.00 N ATOM 1408 CA VAL A 96 -11.108 7.249 1.163 1.00 0.00 C ATOM 1409 C VAL A 96 -11.786 8.626 1.120 1.00 0.00 C ATOM 1410 O VAL A 96 -12.863 8.804 1.691 1.00 0.00 O ATOM 1411 CB VAL A 96 -10.520 7.073 2.570 1.00 0.00 C ATOM 1412 CG1 VAL A 96 -11.635 7.018 3.603 1.00 0.00 C ATOM 1413 CG2 VAL A 96 -9.653 5.841 2.659 1.00 0.00 C ATOM 0 H VAL A 96 -9.566 7.895 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.830 6.451 0.988 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.887 7.935 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.205 6.893 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.208 7.945 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.293 6.177 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.254 5.749 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.248 4.959 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.829 5.924 1.950 1.00 0.00 H new ATOM 1423 N ASP A 97 -11.192 9.585 0.402 1.00 0.00 N ATOM 1424 CA ASP A 97 -11.814 10.912 0.267 1.00 0.00 C ATOM 1425 C ASP A 97 -13.203 10.728 -0.345 1.00 0.00 C ATOM 1426 O ASP A 97 -14.223 11.025 0.279 1.00 0.00 O ATOM 1427 CB ASP A 97 -10.961 11.828 -0.616 1.00 0.00 C ATOM 1428 CG ASP A 97 -11.525 13.234 -0.718 1.00 0.00 C ATOM 1429 OD1 ASP A 97 -12.558 13.511 -0.073 1.00 0.00 O ATOM 1430 OD2 ASP A 97 -10.930 14.060 -1.443 1.00 0.00 O ATOM 0 H ASP A 97 -10.303 9.475 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 97 -11.893 11.382 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.949 11.875 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.887 11.397 -1.615 1.00 0.00 H new ATOM 1434 N ASN A 98 -13.215 10.148 -1.541 1.00 0.00 N ATOM 1435 CA ASN A 98 -14.435 9.802 -2.244 1.00 0.00 C ATOM 1436 C ASN A 98 -14.233 8.437 -2.910 1.00 0.00 C ATOM 1437 O ASN A 98 -14.824 7.451 -2.469 1.00 0.00 O ATOM 1438 CB ASN A 98 -14.843 10.876 -3.255 1.00 0.00 C ATOM 1439 CG ASN A 98 -13.723 11.259 -4.190 1.00 0.00 C ATOM 1440 OD1 ASN A 98 -12.674 11.728 -3.754 1.00 0.00 O ATOM 1441 ND2 ASN A 98 -13.946 11.065 -5.486 1.00 0.00 N ATOM 0 H ASN A 98 -12.366 9.904 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 98 -15.259 9.744 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -15.689 10.515 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.181 11.763 -2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -13.229 11.309 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -14.834 10.672 -5.797 1.00 0.00 H new ATOM 1447 N GLY A 99 -13.363 8.350 -3.932 1.00 0.00 N ATOM 1448 CA GLY A 99 -13.095 7.044 -4.532 1.00 0.00 C ATOM 1449 C GLY A 99 -12.014 7.010 -5.603 1.00 0.00 C ATOM 1450 O GLY A 99 -12.245 7.477 -6.716 1.00 0.00 O ATOM 0 H GLY A 99 -12.856 9.135 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.813 6.353 -3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.021 6.669 -4.967 1.00 0.00 H new ATOM 1454 N LYS A 100 -10.868 6.367 -5.315 1.00 0.00 N ATOM 1455 CA LYS A 100 -9.822 6.196 -6.337 1.00 0.00 C ATOM 1456 C LYS A 100 -9.105 4.873 -6.136 1.00 0.00 C ATOM 1457 O LYS A 100 -8.216 4.765 -5.294 1.00 0.00 O ATOM 1458 CB LYS A 100 -8.700 7.269 -6.395 1.00 0.00 C ATOM 1459 CG LYS A 100 -8.825 8.560 -5.603 1.00 0.00 C ATOM 1460 CD LYS A 100 -10.111 9.317 -5.830 1.00 0.00 C ATOM 1461 CE LYS A 100 -10.081 10.637 -5.082 1.00 0.00 C ATOM 1462 NZ LYS A 100 -11.078 11.599 -5.622 1.00 0.00 N ATOM 0 H LYS A 100 -10.646 5.966 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.391 6.272 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.776 6.785 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.573 7.545 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.738 8.329 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.987 9.209 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.252 9.498 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.958 8.719 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.281 10.461 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.083 11.071 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.595 12.472 -5.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.558 11.177 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.779 11.822 -4.887 1.00 0.00 H new ATOM 1472 N GLU A 101 -9.462 3.884 -6.938 1.00 0.00 N ATOM 1473 CA GLU A 101 -8.829 2.582 -6.869 1.00 0.00 C ATOM 1474 C GLU A 101 -7.860 2.397 -8.028 1.00 0.00 C ATOM 1475 O GLU A 101 -8.257 2.190 -9.169 1.00 0.00 O ATOM 1476 CB GLU A 101 -9.872 1.450 -6.808 1.00 0.00 C ATOM 1477 CG GLU A 101 -10.214 0.825 -8.141 1.00 0.00 C ATOM 1478 CD GLU A 101 -11.443 -0.064 -8.080 1.00 0.00 C ATOM 1479 OE1 GLU A 101 -12.039 -0.182 -6.989 1.00 0.00 O ATOM 1480 OE2 GLU A 101 -11.808 -0.643 -9.125 1.00 0.00 O ATOM 0 H GLU A 101 -10.191 3.961 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.255 2.532 -5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.502 0.670 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.786 1.842 -6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.379 1.614 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.364 0.238 -8.490 1.00 0.00 H new ATOM 1485 N LEU A 102 -6.582 2.471 -7.690 1.00 0.00 N ATOM 1486 CA LEU A 102 -5.484 2.311 -8.623 1.00 0.00 C ATOM 1487 C LEU A 102 -4.199 2.212 -7.849 1.00 0.00 C ATOM 1488 O LEU A 102 -3.690 3.177 -7.385 1.00 0.00 O ATOM 1489 CB LEU A 102 -5.431 3.448 -9.636 1.00 0.00 C ATOM 1490 CG LEU A 102 -6.439 3.345 -10.782 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -6.081 4.312 -11.897 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -6.510 1.908 -11.305 1.00 0.00 C ATOM 0 H LEU A 102 -6.275 2.649 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.637 1.396 -9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.596 4.389 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.427 3.491 -10.059 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.424 3.617 -10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.810 4.224 -12.703 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.088 5.331 -11.511 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.088 4.076 -12.278 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.232 1.853 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.528 1.604 -11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.821 1.243 -10.499 1.00 0.00 H new ATOM 1503 N ILE A 103 -3.680 1.040 -7.690 1.00 0.00 N ATOM 1504 CA ILE A 103 -2.445 0.891 -6.954 1.00 0.00 C ATOM 1505 C ILE A 103 -1.869 -0.505 -7.154 1.00 0.00 C ATOM 1506 O ILE A 103 -2.535 -1.475 -6.867 1.00 0.00 O ATOM 1507 CB ILE A 103 -2.675 1.145 -5.433 1.00 0.00 C ATOM 1508 CG1 ILE A 103 -2.404 2.603 -5.061 1.00 0.00 C ATOM 1509 CG2 ILE A 103 -1.817 0.217 -4.582 1.00 0.00 C ATOM 1510 CD1 ILE A 103 -2.862 2.957 -3.663 1.00 0.00 C ATOM 0 H ILE A 103 -4.078 0.173 -8.051 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.738 1.628 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.724 0.930 -5.228 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.336 2.801 -5.147 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.907 3.253 -5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.000 0.418 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.072 -0.819 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.764 0.387 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.641 4.005 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.936 2.790 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.340 2.331 -2.940 1.00 0.00 H new ATOM 1521 N ALA A 104 -0.643 -0.627 -7.642 1.00 0.00 N ATOM 1522 CA ALA A 104 -0.063 -1.958 -7.806 1.00 0.00 C ATOM 1523 C ALA A 104 1.384 -1.916 -8.234 1.00 0.00 C ATOM 1524 O ALA A 104 1.661 -1.728 -9.414 1.00 0.00 O ATOM 1525 CB ALA A 104 -0.889 -2.770 -8.771 1.00 0.00 C ATOM 0 H ALA A 104 -0.045 0.149 -7.924 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.080 -2.440 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.447 -3.760 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.905 -2.868 -8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.914 -2.270 -9.739 1.00 0.00 H new ATOM 1531 N VAL A 105 2.304 -2.146 -7.293 1.00 0.00 N ATOM 1532 CA VAL A 105 3.724 -2.175 -7.630 1.00 0.00 C ATOM 1533 C VAL A 105 4.566 -2.596 -6.445 1.00 0.00 C ATOM 1534 O VAL A 105 4.281 -2.194 -5.316 1.00 0.00 O ATOM 1535 CB VAL A 105 4.244 -0.807 -8.142 1.00 0.00 C ATOM 1536 CG1 VAL A 105 5.691 -0.577 -7.718 1.00 0.00 C ATOM 1537 CG2 VAL A 105 4.144 -0.730 -9.654 1.00 0.00 C ATOM 0 H VAL A 105 2.093 -2.312 -6.309 1.00 0.00 H new ATOM 0 HA VAL A 105 3.819 -2.907 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 105 3.620 -0.031 -7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.030 0.390 -8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.758 -0.590 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.321 -1.366 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.514 0.237 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.743 -1.524 -10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.103 -0.848 -9.956 1.00 0.00 H new ATOM 1547 N ARG A 106 5.662 -3.308 -6.690 1.00 0.00 N ATOM 1548 CA ARG A 106 6.528 -3.609 -5.606 1.00 0.00 C ATOM 1549 C ARG A 106 7.769 -2.839 -5.746 1.00 0.00 C ATOM 1550 O ARG A 106 8.161 -2.364 -6.812 1.00 0.00 O ATOM 1551 CB ARG A 106 6.948 -5.050 -5.389 1.00 0.00 C ATOM 1552 CG ARG A 106 7.590 -5.235 -4.037 1.00 0.00 C ATOM 1553 CD ARG A 106 6.687 -4.673 -3.000 1.00 0.00 C ATOM 1554 NE ARG A 106 7.234 -4.726 -1.653 1.00 0.00 N ATOM 1555 CZ ARG A 106 6.714 -4.047 -0.628 1.00 0.00 C ATOM 1556 NH1 ARG A 106 5.717 -3.197 -0.837 1.00 0.00 N ATOM 1557 NH2 ARG A 106 7.200 -4.175 0.600 1.00 0.00 N ATOM 0 H ARG A 106 5.946 -3.666 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 106 5.911 -3.352 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.078 -5.701 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.647 -5.349 -6.170 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.772 -6.293 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.558 -4.735 -4.007 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.463 -3.636 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.743 -5.217 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 106 8.053 -5.309 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.350 -3.064 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.318 -2.677 -0.056 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.986 -4.801 0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.788 -3.647 1.369 1.00 0.00 H new ATOM 1568 N GLU A 107 8.374 -2.777 -4.642 1.00 0.00 N ATOM 1569 CA GLU A 107 9.609 -2.138 -4.476 1.00 0.00 C ATOM 1570 C GLU A 107 10.675 -3.177 -4.395 1.00 0.00 C ATOM 1571 O GLU A 107 10.865 -3.782 -3.345 1.00 0.00 O ATOM 1572 CB GLU A 107 9.515 -1.343 -3.197 1.00 0.00 C ATOM 1573 CG GLU A 107 8.462 -1.905 -2.287 1.00 0.00 C ATOM 1574 CD GLU A 107 8.638 -1.487 -0.841 1.00 0.00 C ATOM 1575 OE1 GLU A 107 9.686 -0.899 -0.518 1.00 0.00 O ATOM 1576 OE2 GLU A 107 7.721 -1.726 -0.034 1.00 0.00 O ATOM 0 H GLU A 107 8.009 -3.189 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 107 9.852 -1.474 -5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.480 -1.350 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.283 -0.303 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.481 -1.583 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.481 -2.993 -2.349 1.00 0.00 H new ATOM 1581 N ILE A 108 11.352 -3.407 -5.512 1.00 0.00 N ATOM 1582 CA ILE A 108 12.369 -4.415 -5.560 1.00 0.00 C ATOM 1583 C ILE A 108 13.260 -4.274 -6.803 1.00 0.00 C ATOM 1584 O ILE A 108 12.770 -4.068 -7.914 1.00 0.00 O ATOM 1585 CB ILE A 108 11.734 -5.828 -5.599 1.00 0.00 C ATOM 1586 CG1 ILE A 108 10.705 -6.058 -4.475 1.00 0.00 C ATOM 1587 CG2 ILE A 108 12.827 -6.868 -5.565 1.00 0.00 C ATOM 1588 CD1 ILE A 108 10.292 -7.504 -4.287 1.00 0.00 C ATOM 0 H ILE A 108 11.206 -2.904 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 108 12.974 -4.284 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 108 11.175 -5.916 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.120 -5.687 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.816 -5.464 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.383 -7.863 -5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.480 -6.738 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.408 -6.755 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.567 -7.573 -3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 108 9.844 -7.877 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.168 -8.104 -4.041 1.00 0.00 H new ATOM 1599 N SER A 109 14.567 -4.410 -6.596 1.00 0.00 N ATOM 1600 CA SER A 109 15.559 -4.328 -7.674 1.00 0.00 C ATOM 1601 C SER A 109 16.901 -4.821 -7.144 1.00 0.00 C ATOM 1602 O SER A 109 17.033 -4.967 -5.929 1.00 0.00 O ATOM 1603 CB SER A 109 15.687 -2.891 -8.187 1.00 0.00 C ATOM 1604 OG SER A 109 16.644 -2.803 -9.228 1.00 0.00 O ATOM 0 H SER A 109 14.973 -4.581 -5.676 1.00 0.00 H new ATOM 0 HA SER A 109 15.238 -4.952 -8.508 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.719 -2.543 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.976 -2.233 -7.367 1.00 0.00 H new ATOM 0 HG SER A 109 16.705 -1.876 -9.539 1.00 0.00 H new ATOM 1609 N GLY A 110 17.896 -5.069 -8.029 1.00 0.00 N ATOM 1610 CA GLY A 110 19.209 -5.516 -7.544 1.00 0.00 C ATOM 1611 C GLY A 110 19.436 -4.920 -6.179 1.00 0.00 C ATOM 1612 O GLY A 110 19.673 -5.619 -5.194 1.00 0.00 O ATOM 0 H GLY A 110 17.815 -4.970 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.245 -6.604 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.995 -5.202 -8.231 1.00 0.00 H new ATOM 1616 N ASN A 111 19.198 -3.618 -6.130 1.00 0.00 N ATOM 1617 CA ASN A 111 19.191 -2.863 -4.899 1.00 0.00 C ATOM 1618 C ASN A 111 18.565 -1.509 -5.194 1.00 0.00 C ATOM 1619 O ASN A 111 19.242 -0.521 -5.475 1.00 0.00 O ATOM 1620 CB ASN A 111 20.608 -2.716 -4.333 1.00 0.00 C ATOM 1621 CG ASN A 111 21.629 -2.334 -5.389 1.00 0.00 C ATOM 1622 OD1 ASN A 111 22.615 -3.200 -5.596 1.00 0.00 O flip ATOM 1623 ND2 ASN A 111 21.538 -1.277 -6.012 1.00 0.00 N flip ATOM 0 H ASN A 111 19.003 -3.055 -6.958 1.00 0.00 H new ATOM 0 HA ASN A 111 18.610 -3.384 -4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 111 20.604 -1.959 -3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.907 -3.655 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 111 20.765 -0.639 -5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.235 -1.039 -6.717 1.00 0.00 H new ATOM 1629 N GLU A 112 17.243 -1.503 -5.105 1.00 0.00 N ATOM 1630 CA GLU A 112 16.425 -0.324 -5.333 1.00 0.00 C ATOM 1631 C GLU A 112 14.973 -0.702 -5.107 1.00 0.00 C ATOM 1632 O GLU A 112 14.515 -1.689 -5.686 1.00 0.00 O ATOM 1633 CB GLU A 112 16.617 0.212 -6.755 1.00 0.00 C ATOM 1634 CG GLU A 112 15.667 1.345 -7.111 1.00 0.00 C ATOM 1635 CD GLU A 112 15.851 1.841 -8.533 1.00 0.00 C ATOM 1636 OE1 GLU A 112 16.727 1.301 -9.242 1.00 0.00 O ATOM 1637 OE2 GLU A 112 15.120 2.769 -8.937 1.00 0.00 O ATOM 0 H GLU A 112 16.700 -2.333 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 112 16.723 0.465 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.644 0.561 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.478 -0.604 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.639 1.006 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.821 2.173 -6.419 1.00 0.00 H new ATOM 1642 N LEU A 113 14.226 0.043 -4.317 1.00 0.00 N ATOM 1643 CA LEU A 113 12.845 -0.307 -4.127 1.00 0.00 C ATOM 1644 C LEU A 113 11.947 0.708 -4.814 1.00 0.00 C ATOM 1645 O LEU A 113 12.388 1.795 -5.167 1.00 0.00 O ATOM 1646 CB LEU A 113 12.545 -0.454 -2.651 1.00 0.00 C ATOM 1647 CG LEU A 113 13.006 -1.786 -2.040 1.00 0.00 C ATOM 1648 CD1 LEU A 113 11.897 -2.436 -1.235 1.00 0.00 C ATOM 1649 CD2 LEU A 113 13.545 -2.757 -3.078 1.00 0.00 C ATOM 0 H LEU A 113 14.545 0.870 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 113 12.642 -1.272 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.023 0.364 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.471 -0.351 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 113 13.831 -1.542 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.255 -3.376 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.596 -1.770 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.042 -2.630 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 113 13.855 -3.679 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.766 -2.978 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.401 -2.310 -3.584 1.00 0.00 H new ATOM 1660 N ILE A 114 10.714 0.307 -5.051 1.00 0.00 N ATOM 1661 CA ILE A 114 9.724 1.110 -5.751 1.00 0.00 C ATOM 1662 C ILE A 114 8.334 0.863 -5.216 1.00 0.00 C ATOM 1663 O ILE A 114 7.896 -0.265 -5.074 1.00 0.00 O ATOM 1664 CB ILE A 114 9.634 0.713 -7.218 1.00 0.00 C ATOM 1665 CG1 ILE A 114 10.939 0.090 -7.681 1.00 0.00 C ATOM 1666 CG2 ILE A 114 9.258 1.908 -8.081 1.00 0.00 C ATOM 1667 CD1 ILE A 114 12.087 1.077 -7.782 1.00 0.00 C ATOM 0 H ILE A 114 10.362 -0.604 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 114 10.041 2.144 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 114 8.847 -0.033 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.216 -0.706 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.784 -0.374 -8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.200 1.599 -9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.290 2.296 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.014 2.686 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 114 12.985 0.558 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.832 1.860 -8.496 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.271 1.523 -6.804 1.00 0.00 H new ATOM 1678 N GLN A 115 7.608 1.903 -4.985 1.00 0.00 N ATOM 1679 CA GLN A 115 6.259 1.730 -4.519 1.00 0.00 C ATOM 1680 C GLN A 115 5.352 2.663 -5.265 1.00 0.00 C ATOM 1681 O GLN A 115 5.365 3.875 -5.054 1.00 0.00 O ATOM 1682 CB GLN A 115 6.211 1.938 -3.022 1.00 0.00 C ATOM 1683 CG GLN A 115 7.085 0.918 -2.289 1.00 0.00 C ATOM 1684 CD GLN A 115 7.029 1.064 -0.784 1.00 0.00 C ATOM 1685 OE1 GLN A 115 5.978 0.890 -0.170 1.00 0.00 O ATOM 1686 NE2 GLN A 115 8.170 1.389 -0.181 1.00 0.00 N ATOM 0 H GLN A 115 7.911 2.869 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 115 5.911 0.715 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.547 2.947 -2.782 1.00 0.00 H new ATOM 0 HB3 GLN A 115 5.181 1.854 -2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.767 -0.088 -2.563 1.00 0.00 H new ATOM 0 HG3 GLN A 115 8.117 1.027 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 115 9.018 1.523 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 115 8.197 1.504 0.832 1.00 0.00 H new ATOM 1693 N THR A 116 4.609 2.089 -6.193 1.00 0.00 N ATOM 1694 CA THR A 116 3.755 2.867 -7.035 1.00 0.00 C ATOM 1695 C THR A 116 2.314 2.852 -6.603 1.00 0.00 C ATOM 1696 O THR A 116 1.679 1.798 -6.546 1.00 0.00 O ATOM 1697 CB THR A 116 3.766 2.346 -8.473 1.00 0.00 C ATOM 1698 OG1 THR A 116 5.074 1.931 -8.839 1.00 0.00 O ATOM 1699 CG2 THR A 116 3.291 3.416 -9.414 1.00 0.00 C ATOM 0 H THR A 116 4.588 1.085 -6.374 1.00 0.00 H new ATOM 0 HA THR A 116 4.154 3.879 -6.963 1.00 0.00 H new ATOM 0 HB THR A 116 3.094 1.490 -8.536 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.069 1.613 -9.766 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.303 3.034 -10.435 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.276 3.710 -9.148 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.949 4.282 -9.343 1.00 0.00 H new ATOM 1707 N TYR A 117 1.770 4.035 -6.403 1.00 0.00 N ATOM 1708 CA TYR A 117 0.380 4.151 -6.103 1.00 0.00 C ATOM 1709 C TYR A 117 -0.267 4.754 -7.302 1.00 0.00 C ATOM 1710 O TYR A 117 0.395 5.265 -8.197 1.00 0.00 O ATOM 1711 CB TYR A 117 0.017 5.043 -4.916 1.00 0.00 C ATOM 1712 CG TYR A 117 0.794 4.799 -3.633 1.00 0.00 C ATOM 1713 CD1 TYR A 117 2.168 5.045 -3.529 1.00 0.00 C ATOM 1714 CD2 TYR A 117 0.129 4.333 -2.505 1.00 0.00 C ATOM 1715 CE1 TYR A 117 2.837 4.823 -2.341 1.00 0.00 C ATOM 1716 CE2 TYR A 117 0.797 4.115 -1.318 1.00 0.00 C ATOM 1717 CZ TYR A 117 2.147 4.359 -1.241 1.00 0.00 C ATOM 1718 OH TYR A 117 2.811 4.145 -0.057 1.00 0.00 O ATOM 0 H TYR A 117 2.277 4.919 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 117 0.045 3.148 -5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.161 6.082 -5.212 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.044 4.916 -4.703 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.711 5.412 -4.387 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -0.932 4.138 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 117 3.898 5.012 -2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.261 3.754 -0.453 1.00 0.00 H new ATOM 0 HH TYR A 117 2.180 3.819 0.618 1.00 0.00 H new ATOM 1727 N THR A 118 -1.553 4.698 -7.294 1.00 0.00 N ATOM 1728 CA THR A 118 -2.347 5.236 -8.350 1.00 0.00 C ATOM 1729 C THR A 118 -3.707 5.583 -7.754 1.00 0.00 C ATOM 1730 O THR A 118 -4.066 5.079 -6.689 1.00 0.00 O ATOM 1731 CB THR A 118 -2.408 4.225 -9.524 1.00 0.00 C ATOM 1732 OG1 THR A 118 -1.119 3.614 -9.686 1.00 0.00 O ATOM 1733 CG2 THR A 118 -2.760 4.941 -10.821 1.00 0.00 C ATOM 0 H THR A 118 -2.094 4.271 -6.543 1.00 0.00 H new ATOM 0 HA THR A 118 -1.922 6.146 -8.774 1.00 0.00 H new ATOM 0 HB THR A 118 -3.167 3.476 -9.301 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.152 2.973 -10.426 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.799 4.219 -11.636 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.731 5.425 -10.718 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.002 5.693 -11.039 1.00 0.00 H new ATOM 1741 N TYR A 119 -4.441 6.472 -8.357 1.00 0.00 N ATOM 1742 CA TYR A 119 -5.717 6.845 -7.792 1.00 0.00 C ATOM 1743 C TYR A 119 -6.430 7.680 -8.809 1.00 0.00 C ATOM 1744 O TYR A 119 -6.046 8.820 -9.066 1.00 0.00 O ATOM 1745 CB TYR A 119 -5.525 7.531 -6.428 1.00 0.00 C ATOM 1746 CG TYR A 119 -4.391 8.543 -6.328 1.00 0.00 C ATOM 1747 CD1 TYR A 119 -3.083 8.190 -5.915 1.00 0.00 C ATOM 1748 CD2 TYR A 119 -4.652 9.885 -6.584 1.00 0.00 C ATOM 1749 CE1 TYR A 119 -2.110 9.168 -5.775 1.00 0.00 C ATOM 1750 CE2 TYR A 119 -3.671 10.851 -6.456 1.00 0.00 C ATOM 1751 CZ TYR A 119 -2.407 10.493 -6.049 1.00 0.00 C ATOM 1752 OH TYR A 119 -1.442 11.472 -5.886 1.00 0.00 O ATOM 0 H TYR A 119 -4.190 6.948 -9.224 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.338 5.975 -7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.455 8.035 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.359 6.758 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -2.843 7.157 -5.709 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.645 10.180 -6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -1.116 8.896 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -3.897 11.884 -6.675 1.00 0.00 H new ATOM 0 HH TYR A 119 -1.876 12.339 -5.741 1.00 0.00 H new ATOM 1761 N GLU A 120 -7.402 7.047 -9.458 1.00 0.00 N ATOM 1762 CA GLU A 120 -8.113 7.661 -10.556 1.00 0.00 C ATOM 1763 C GLU A 120 -7.175 7.547 -11.740 1.00 0.00 C ATOM 1764 O GLU A 120 -7.450 6.819 -12.693 1.00 0.00 O ATOM 1765 CB GLU A 120 -8.479 9.100 -10.224 1.00 0.00 C ATOM 1766 CG GLU A 120 -9.354 9.176 -8.990 1.00 0.00 C ATOM 1767 CD GLU A 120 -10.820 8.980 -9.319 1.00 0.00 C ATOM 1768 OE1 GLU A 120 -11.409 9.876 -9.960 1.00 0.00 O ATOM 1769 OE2 GLU A 120 -11.373 7.924 -8.956 1.00 0.00 O ATOM 0 H GLU A 120 -7.712 6.101 -9.234 1.00 0.00 H new ATOM 0 HA GLU A 120 -9.064 7.174 -10.771 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.570 9.681 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.000 9.549 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -9.039 8.416 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -9.217 10.144 -8.508 1.00 0.00 H new ATOM 1774 N GLY A 121 -6.005 8.168 -11.612 1.00 0.00 N ATOM 1775 CA GLY A 121 -4.988 7.999 -12.611 1.00 0.00 C ATOM 1776 C GLY A 121 -3.679 8.658 -12.242 1.00 0.00 C ATOM 1777 O GLY A 121 -3.444 9.816 -12.590 1.00 0.00 O ATOM 0 H GLY A 121 -5.753 8.780 -10.836 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.819 6.934 -12.772 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.342 8.412 -13.555 1.00 0.00 H new ATOM 1781 N VAL A 122 -2.791 7.904 -11.603 1.00 0.00 N ATOM 1782 CA VAL A 122 -1.473 8.405 -11.272 1.00 0.00 C ATOM 1783 C VAL A 122 -0.591 7.334 -10.708 1.00 0.00 C ATOM 1784 O VAL A 122 -0.768 6.935 -9.575 1.00 0.00 O ATOM 1785 CB VAL A 122 -1.467 9.585 -10.273 1.00 0.00 C ATOM 1786 CG1 VAL A 122 -2.518 9.411 -9.203 1.00 0.00 C ATOM 1787 CG2 VAL A 122 -0.098 9.701 -9.633 1.00 0.00 C ATOM 0 H VAL A 122 -2.965 6.944 -11.306 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.091 8.763 -12.228 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.698 10.497 -10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.485 10.259 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.503 9.357 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.326 8.491 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.095 10.533 -8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.136 8.777 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.651 9.876 -10.405 1.00 0.00 H new ATOM 1797 N GLU A 123 0.427 6.943 -11.423 1.00 0.00 N ATOM 1798 CA GLU A 123 1.333 5.999 -10.844 1.00 0.00 C ATOM 1799 C GLU A 123 2.491 6.804 -10.303 1.00 0.00 C ATOM 1800 O GLU A 123 2.921 7.778 -10.920 1.00 0.00 O ATOM 1801 CB GLU A 123 1.819 4.929 -11.810 1.00 0.00 C ATOM 1802 CG GLU A 123 2.815 5.408 -12.854 1.00 0.00 C ATOM 1803 CD GLU A 123 2.213 6.365 -13.868 1.00 0.00 C ATOM 1804 OE1 GLU A 123 0.970 6.481 -13.917 1.00 0.00 O ATOM 1805 OE2 GLU A 123 2.985 6.978 -14.634 1.00 0.00 O ATOM 0 H GLU A 123 0.644 7.250 -12.371 1.00 0.00 H new ATOM 0 HA GLU A 123 0.815 5.440 -10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.277 4.124 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.956 4.504 -12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.648 5.900 -12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.224 4.544 -13.379 1.00 0.00 H new ATOM 1810 N ALA A 124 2.944 6.449 -9.123 1.00 0.00 N ATOM 1811 CA ALA A 124 4.005 7.210 -8.478 1.00 0.00 C ATOM 1812 C ALA A 124 4.768 6.410 -7.451 1.00 0.00 C ATOM 1813 O ALA A 124 4.189 5.715 -6.619 1.00 0.00 O ATOM 1814 CB ALA A 124 3.420 8.437 -7.821 1.00 0.00 C ATOM 0 H ALA A 124 2.604 5.649 -8.590 1.00 0.00 H new ATOM 0 HA ALA A 124 4.713 7.488 -9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.215 9.006 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.936 9.058 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.686 8.135 -7.074 1.00 0.00 H new ATOM 1820 N LYS A 125 6.084 6.506 -7.542 1.00 0.00 N ATOM 1821 CA LYS A 125 6.971 5.788 -6.664 1.00 0.00 C ATOM 1822 C LYS A 125 8.264 6.568 -6.475 1.00 0.00 C ATOM 1823 O LYS A 125 8.731 7.249 -7.389 1.00 0.00 O ATOM 1824 CB LYS A 125 7.233 4.403 -7.251 1.00 0.00 C ATOM 1825 CG LYS A 125 6.454 4.119 -8.532 1.00 0.00 C ATOM 1826 CD LYS A 125 6.717 5.114 -9.641 1.00 0.00 C ATOM 1827 CE LYS A 125 5.734 4.906 -10.770 1.00 0.00 C ATOM 1828 NZ LYS A 125 5.629 3.476 -11.180 1.00 0.00 N ATOM 0 H LYS A 125 6.561 7.087 -8.231 1.00 0.00 H new ATOM 0 HA LYS A 125 6.514 5.670 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.299 4.301 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.977 3.649 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.707 3.120 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.388 4.116 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.631 6.130 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 125 7.736 4.998 -10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.752 5.266 -10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.039 5.505 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.808 3.354 -11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.494 3.195 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.512 2.880 -10.335 1.00 0.00 H new ATOM 1838 N ARG A 126 8.824 6.480 -5.278 1.00 0.00 N ATOM 1839 CA ARG A 126 10.048 7.190 -4.952 1.00 0.00 C ATOM 1840 C ARG A 126 10.862 6.369 -4.033 1.00 0.00 C ATOM 1841 O ARG A 126 10.580 6.299 -2.876 1.00 0.00 O ATOM 1842 CB ARG A 126 9.728 8.520 -4.285 1.00 0.00 C ATOM 1843 CG ARG A 126 9.131 8.421 -2.885 1.00 0.00 C ATOM 1844 CD ARG A 126 9.414 9.625 -2.050 1.00 0.00 C ATOM 1845 NE ARG A 126 9.205 9.311 -0.658 1.00 0.00 N ATOM 1846 CZ ARG A 126 8.125 9.660 0.034 1.00 0.00 C ATOM 1847 NH1 ARG A 126 7.190 10.414 -0.525 1.00 0.00 N ATOM 1848 NH2 ARG A 126 7.981 9.255 1.289 1.00 0.00 N ATOM 0 H ARG A 126 8.446 5.920 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 126 10.601 7.378 -5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.643 9.110 -4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.033 9.068 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.052 8.284 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.529 7.537 -2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.440 9.956 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.764 10.448 -2.349 1.00 0.00 H new ATOM 0 HE ARG A 126 9.933 8.787 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.298 10.729 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.363 10.680 0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.699 8.676 1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 126 7.152 9.523 1.819 1.00 0.00 H new ATOM 1859 N ILE A 127 11.862 5.709 -4.528 1.00 0.00 N ATOM 1860 CA ILE A 127 12.634 4.886 -3.624 1.00 0.00 C ATOM 1861 C ILE A 127 13.969 4.404 -4.146 1.00 0.00 C ATOM 1862 O ILE A 127 14.138 4.058 -5.314 1.00 0.00 O ATOM 1863 CB ILE A 127 11.880 3.609 -3.207 1.00 0.00 C ATOM 1864 CG1 ILE A 127 10.351 3.738 -3.330 1.00 0.00 C ATOM 1865 CG2 ILE A 127 12.271 3.234 -1.804 1.00 0.00 C ATOM 1866 CD1 ILE A 127 9.637 2.516 -2.837 1.00 0.00 C ATOM 0 H ILE A 127 12.161 5.714 -5.503 1.00 0.00 H new ATOM 0 HA ILE A 127 12.801 5.572 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 127 12.170 2.819 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.015 4.606 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.086 3.916 -4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.738 2.331 -1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.345 3.053 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.013 4.047 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.561 2.655 -2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.951 1.651 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.879 2.352 -1.787 1.00 0.00 H new ATOM 1877 N PHE A 128 14.856 4.260 -3.180 1.00 0.00 N ATOM 1878 CA PHE A 128 16.163 3.676 -3.359 1.00 0.00 C ATOM 1879 C PHE A 128 16.475 3.070 -2.024 1.00 0.00 C ATOM 1880 O PHE A 128 16.769 3.753 -1.047 1.00 0.00 O ATOM 1881 CB PHE A 128 17.213 4.669 -3.797 1.00 0.00 C ATOM 1882 CG PHE A 128 16.860 5.327 -5.094 1.00 0.00 C ATOM 1883 CD1 PHE A 128 16.971 4.624 -6.278 1.00 0.00 C ATOM 1884 CD2 PHE A 128 16.379 6.625 -5.125 1.00 0.00 C ATOM 1885 CE1 PHE A 128 16.618 5.206 -7.479 1.00 0.00 C ATOM 1886 CE2 PHE A 128 16.021 7.215 -6.322 1.00 0.00 C ATOM 1887 CZ PHE A 128 16.143 6.505 -7.503 1.00 0.00 C ATOM 0 H PHE A 128 14.677 4.557 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 128 16.166 2.943 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 128 17.335 5.430 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 128 18.172 4.161 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 128 17.338 3.608 -6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 128 16.283 7.182 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 128 16.713 4.648 -8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 128 15.647 8.228 -6.336 1.00 0.00 H new ATOM 0 HZ PHE A 128 15.868 6.964 -8.441 1.00 0.00 H new ATOM 1896 N LYS A 129 16.252 1.791 -1.989 1.00 0.00 N ATOM 1897 CA LYS A 129 16.304 1.032 -0.763 1.00 0.00 C ATOM 1898 C LYS A 129 17.364 -0.029 -0.628 1.00 0.00 C ATOM 1899 O LYS A 129 18.034 -0.440 -1.575 1.00 0.00 O ATOM 1900 CB LYS A 129 15.001 0.315 -0.594 1.00 0.00 C ATOM 1901 CG LYS A 129 13.787 1.164 -0.375 1.00 0.00 C ATOM 1902 CD LYS A 129 12.687 0.362 0.299 1.00 0.00 C ATOM 1903 CE LYS A 129 11.418 1.156 0.481 1.00 0.00 C ATOM 1904 NZ LYS A 129 11.661 2.471 1.134 1.00 0.00 N ATOM 0 H LYS A 129 16.027 1.235 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 129 16.538 1.791 -0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.832 -0.297 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.096 -0.367 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.046 2.025 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.430 1.550 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.473 -0.526 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.038 0.017 1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.950 1.317 -0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.715 0.579 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.032 3.187 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 11.470 2.393 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.651 2.753 0.988 1.00 0.00 H new ATOM 1914 N LYS A 130 17.399 -0.513 0.611 1.00 0.00 N ATOM 1915 CA LYS A 130 18.245 -1.605 1.030 1.00 0.00 C ATOM 1916 C LYS A 130 19.711 -1.361 0.691 1.00 0.00 C ATOM 1917 O LYS A 130 20.206 -0.238 0.794 1.00 0.00 O ATOM 1918 CB LYS A 130 17.734 -2.876 0.364 1.00 0.00 C ATOM 1919 CG LYS A 130 17.781 -4.128 1.226 1.00 0.00 C ATOM 1920 CD LYS A 130 19.003 -4.219 2.119 1.00 0.00 C ATOM 1921 CE LYS A 130 18.781 -5.256 3.205 1.00 0.00 C ATOM 1922 NZ LYS A 130 18.520 -6.608 2.638 1.00 0.00 N ATOM 0 H LYS A 130 16.821 -0.140 1.364 1.00 0.00 H new ATOM 0 HA LYS A 130 18.199 -1.699 2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 130 16.704 -2.711 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 130 18.320 -3.054 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 130 16.886 -4.162 1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 130 17.752 -5.004 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 130 19.878 -4.485 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 130 19.207 -3.248 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 130 19.657 -5.297 3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 130 17.939 -4.955 3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 18.525 -7.312 3.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 17.592 -6.614 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 19.260 -6.843 1.946 1.00 0.00 H new ATOM 1932 N GLU A 131 20.395 -2.424 0.285 1.00 0.00 N ATOM 1933 CA GLU A 131 21.808 -2.336 -0.070 1.00 0.00 C ATOM 1934 C GLU A 131 22.006 -1.494 -1.328 1.00 0.00 C ATOM 1935 O GLU A 131 21.011 -0.920 -1.819 1.00 0.00 O ATOM 1936 CB GLU A 131 22.396 -3.734 -0.280 1.00 0.00 C ATOM 1937 CG GLU A 131 21.711 -4.524 -1.383 1.00 0.00 C ATOM 1938 CD GLU A 131 22.341 -5.886 -1.601 1.00 0.00 C ATOM 1939 OE1 GLU A 131 23.545 -5.938 -1.926 1.00 0.00 O ATOM 1940 OE2 GLU A 131 21.629 -6.901 -1.447 1.00 0.00 O ATOM 1941 OXT GLU A 131 23.155 -1.416 -1.811 1.00 0.00 O ATOM 0 H GLU A 131 19.995 -3.358 0.193 1.00 0.00 H new ATOM 0 HA GLU A 131 22.330 -1.851 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 131 23.456 -3.641 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 131 22.325 -4.293 0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 131 20.657 -4.651 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 131 21.753 -3.955 -2.312 1.00 0.00 H new