USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 891 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 162:sc= -2.11! USER MOD Set 1.2: A 125 LYS NZ :NH3+ 180:sc= 1.02 (180deg=0.126) USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -0.0554 F(o=-4!,f=-2) USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= -2.05! USER MOD Set 2.3: A 129 LYS NZ :NH3+ 163:sc= 0.129 (180deg=-0.996) USER MOD Set 3.1: A 5 THR OG1 : rot 15:sc= 2.18 USER MOD Set 3.2: A 39 THR OG1 : rot -20:sc= 0.866 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.572) USER MOD Single : A 11 ASN : amide:sc= -14.7! C(o=-15!,f=-15!) USER MOD Single : A 13 ASN :FLIP amide:sc= -3.72! C(o=-6.2!,f=-3.7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0.524! (180deg=0.323!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= -1.43 (180deg=-3.69!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.0374 (180deg=-1.48!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc=-0.000135 (180deg=-0.000135) USER MOD Single : A 33 HIS : no HD1:sc= -0.597 K(o=-0.6,f=-1.4) USER MOD Single : A 35 ASN : amide:sc= -0.0105 K(o=-0.01,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 45 ASN :FLIP amide:sc= -3.74! C(o=-5.9!,f=-3.7!) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0.29 (180deg=0.208) USER MOD Single : A 48 THR OG1 : rot 91:sc= -1.27! USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 0.852 (180deg=-0.0409) USER MOD Single : A 52 SER OG : rot 170:sc= -1.05 USER MOD Single : A 53 SER OG : rot -4:sc= 1.15 USER MOD Single : A 54 ASN : amide:sc= -0.0958 K(o=-0.096,f=-0.73) USER MOD Single : A 57 ASN :FLIP amide:sc= 1.19 F(o=-0.16,f=1.2) USER MOD Single : A 70 TYR OH : rot -123:sc= 0.406 USER MOD Single : A 71 SER OG : rot 170:sc= -2.48! USER MOD Single : A 76 THR OG1 : rot 47:sc= 0.21 USER MOD Single : A 79 THR OG1 : rot -174:sc= -2.27! USER MOD Single : A 81 THR OG1 : rot -44:sc= -3.08! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 84 MET CE :methyl 167:sc= -7.72! (180deg=-8.27!) USER MOD Single : A 87 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.023) USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= -0.0286 (180deg=-0.0384) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc=-0.000667 (180deg=-0.0537) USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 2.15 (180deg=0.406) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= 1.19 (180deg=-0.186) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00831 K(o=-0.0083,f=-0.52) USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.416 USER MOD Single : A 119 TYR OH : rot 112:sc= 1.34 USER MOD Single : A 130 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.039) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.434 -13.595 7.560 1.00 0.00 N ATOM 2 CA ALA A 1 13.071 -12.515 6.618 1.00 0.00 C ATOM 3 C ALA A 1 12.301 -13.084 5.433 1.00 0.00 C ATOM 4 O ALA A 1 12.706 -14.084 4.839 1.00 0.00 O ATOM 5 CB ALA A 1 14.317 -11.782 6.138 1.00 0.00 C ATOM 0 H1 ALA A 1 13.959 -13.193 8.363 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.570 -14.058 7.907 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.029 -14.295 7.073 1.00 0.00 H new ATOM 0 HA ALA A 1 12.432 -11.802 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.030 -10.991 5.446 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.835 -11.346 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.980 -12.484 5.632 1.00 0.00 H new ATOM 13 N PHE A 2 11.199 -12.440 5.084 1.00 0.00 N ATOM 14 CA PHE A 2 10.381 -12.875 3.964 1.00 0.00 C ATOM 15 C PHE A 2 10.940 -12.335 2.662 1.00 0.00 C ATOM 16 O PHE A 2 10.836 -12.975 1.615 1.00 0.00 O ATOM 17 CB PHE A 2 8.932 -12.411 4.134 1.00 0.00 C ATOM 18 CG PHE A 2 8.040 -12.769 2.975 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.786 -14.093 2.660 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.470 -11.777 2.195 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.975 -14.424 1.591 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.657 -12.103 1.125 1.00 0.00 C ATOM 23 CZ PHE A 2 6.410 -13.426 0.823 1.00 0.00 C ATOM 0 H PHE A 2 10.849 -11.610 5.563 1.00 0.00 H new ATOM 0 HA PHE A 2 10.398 -13.965 3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 2 8.524 -12.851 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.920 -11.329 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.227 -14.877 3.257 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.662 -10.739 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.784 -15.461 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.215 -11.321 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.776 -13.681 -0.013 1.00 0.00 H new ATOM 32 N ASP A 3 11.497 -11.135 2.711 1.00 0.00 N ATOM 33 CA ASP A 3 12.001 -10.516 1.506 1.00 0.00 C ATOM 34 C ASP A 3 13.168 -9.606 1.806 1.00 0.00 C ATOM 35 O ASP A 3 14.202 -9.662 1.140 1.00 0.00 O ATOM 36 CB ASP A 3 10.911 -9.697 0.827 1.00 0.00 C ATOM 37 CG ASP A 3 11.341 -9.179 -0.527 1.00 0.00 C ATOM 38 OD1 ASP A 3 11.598 -10.005 -1.429 1.00 0.00 O ATOM 39 OD2 ASP A 3 11.439 -7.945 -0.688 1.00 0.00 O ATOM 0 H ASP A 3 11.608 -10.581 3.560 1.00 0.00 H new ATOM 0 HA ASP A 3 12.329 -11.318 0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.017 -10.310 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.640 -8.856 1.466 1.00 0.00 H new ATOM 43 N GLY A 4 12.990 -8.733 2.780 1.00 0.00 N ATOM 44 CA GLY A 4 14.030 -7.794 3.089 1.00 0.00 C ATOM 45 C GLY A 4 13.565 -6.629 3.927 1.00 0.00 C ATOM 46 O GLY A 4 12.489 -6.667 4.529 1.00 0.00 O ATOM 0 H GLY A 4 12.151 -8.661 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.831 -8.313 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.454 -7.415 2.159 1.00 0.00 H new ATOM 50 N THR A 5 14.277 -5.530 3.766 1.00 0.00 N ATOM 51 CA THR A 5 13.893 -4.265 4.279 1.00 0.00 C ATOM 52 C THR A 5 14.578 -3.251 3.402 1.00 0.00 C ATOM 53 O THR A 5 15.620 -3.552 2.825 1.00 0.00 O ATOM 54 CB THR A 5 14.264 -4.040 5.748 1.00 0.00 C ATOM 55 OG1 THR A 5 13.774 -2.756 6.125 1.00 0.00 O ATOM 56 CG2 THR A 5 15.767 -4.121 5.974 1.00 0.00 C ATOM 0 H THR A 5 15.161 -5.511 3.257 1.00 0.00 H new ATOM 0 HA THR A 5 12.806 -4.185 4.262 1.00 0.00 H new ATOM 0 HB THR A 5 13.815 -4.824 6.358 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.136 -2.439 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.986 -3.956 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.127 -5.107 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.266 -3.359 5.376 1.00 0.00 H new ATOM 64 N TRP A 6 13.860 -2.212 3.057 1.00 0.00 N ATOM 65 CA TRP A 6 14.232 -1.368 1.999 1.00 0.00 C ATOM 66 C TRP A 6 13.554 -0.087 2.352 1.00 0.00 C ATOM 67 O TRP A 6 12.449 -0.157 2.878 1.00 0.00 O ATOM 68 CB TRP A 6 13.703 -1.938 0.705 1.00 0.00 C ATOM 69 CG TRP A 6 12.887 -3.190 0.840 1.00 0.00 C ATOM 70 CD1 TRP A 6 13.309 -4.486 0.735 1.00 0.00 C ATOM 71 CD2 TRP A 6 11.483 -3.242 1.045 1.00 0.00 C ATOM 72 NE1 TRP A 6 12.240 -5.333 0.842 1.00 0.00 N ATOM 73 CE2 TRP A 6 11.106 -4.589 1.019 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.506 -2.272 1.227 1.00 0.00 C ATOM 75 CZ2 TRP A 6 9.787 -4.977 1.162 1.00 0.00 C ATOM 76 CZ3 TRP A 6 9.199 -2.664 1.375 1.00 0.00 C ATOM 77 CH2 TRP A 6 8.850 -4.004 1.335 1.00 0.00 C ATOM 0 H TRP A 6 12.993 -1.943 3.522 1.00 0.00 H new ATOM 0 HA TRP A 6 15.307 -1.247 1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 6 13.094 -1.178 0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.547 -2.144 0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.334 -4.795 0.589 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.282 -6.351 0.797 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.771 -1.225 1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 9.508 -6.020 1.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.433 -1.918 1.525 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.812 -4.283 1.443 1.00 0.00 H new ATOM 87 N LYS A 7 14.220 1.039 2.381 1.00 0.00 N ATOM 88 CA LYS A 7 13.604 2.087 3.143 1.00 0.00 C ATOM 89 C LYS A 7 14.070 3.486 2.818 1.00 0.00 C ATOM 90 O LYS A 7 15.191 3.878 3.122 1.00 0.00 O ATOM 91 CB LYS A 7 13.779 1.807 4.628 1.00 0.00 C ATOM 92 CG LYS A 7 14.886 0.828 4.993 1.00 0.00 C ATOM 93 CD LYS A 7 16.275 1.411 4.761 1.00 0.00 C ATOM 94 CE LYS A 7 16.694 2.330 5.897 1.00 0.00 C ATOM 95 NZ LYS A 7 16.822 1.596 7.186 1.00 0.00 N ATOM 0 H LYS A 7 15.111 1.244 1.929 1.00 0.00 H new ATOM 0 HA LYS A 7 12.552 2.072 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.974 2.752 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.837 1.423 5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.785 0.543 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.773 -0.081 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.998 0.601 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.286 1.964 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.646 2.801 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.962 3.130 6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.457 2.119 7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.885 1.506 7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.213 0.649 7.009 1.00 0.00 H new ATOM 105 N VAL A 8 13.107 4.288 2.402 1.00 0.00 N ATOM 106 CA VAL A 8 13.295 5.714 2.226 1.00 0.00 C ATOM 107 C VAL A 8 12.000 6.363 1.932 1.00 0.00 C ATOM 108 O VAL A 8 11.765 7.507 2.311 1.00 0.00 O ATOM 109 CB VAL A 8 14.179 6.067 1.009 1.00 0.00 C ATOM 110 CG1 VAL A 8 15.563 6.497 1.397 1.00 0.00 C ATOM 111 CG2 VAL A 8 14.207 4.935 0.007 1.00 0.00 C ATOM 0 H VAL A 8 12.166 3.965 2.176 1.00 0.00 H new ATOM 0 HA VAL A 8 13.759 6.053 3.152 1.00 0.00 H new ATOM 0 HB VAL A 8 13.718 6.930 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.136 6.732 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.505 7.381 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.055 5.691 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.837 5.213 -0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.609 4.040 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 8 13.195 4.736 -0.345 1.00 0.00 H new ATOM 121 N ASP A 9 11.422 5.823 0.904 1.00 0.00 N ATOM 122 CA ASP A 9 10.497 6.588 0.172 1.00 0.00 C ATOM 123 C ASP A 9 9.275 5.783 -0.241 1.00 0.00 C ATOM 124 O ASP A 9 9.017 4.685 0.263 1.00 0.00 O ATOM 125 CB ASP A 9 11.246 7.162 -1.021 1.00 0.00 C ATOM 126 CG ASP A 9 12.180 8.299 -0.660 1.00 0.00 C ATOM 127 OD1 ASP A 9 11.711 9.288 -0.075 1.00 0.00 O ATOM 128 OD2 ASP A 9 13.384 8.215 -0.971 1.00 0.00 O ATOM 0 H ASP A 9 11.578 4.873 0.568 1.00 0.00 H new ATOM 0 HA ASP A 9 10.097 7.392 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.821 6.367 -1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.524 7.516 -1.757 1.00 0.00 H new ATOM 132 N ARG A 10 8.489 6.448 -1.043 1.00 0.00 N ATOM 133 CA ARG A 10 7.163 6.069 -1.474 1.00 0.00 C ATOM 134 C ARG A 10 6.878 7.081 -2.555 1.00 0.00 C ATOM 135 O ARG A 10 7.791 7.728 -2.965 1.00 0.00 O ATOM 136 CB ARG A 10 6.140 6.105 -0.346 1.00 0.00 C ATOM 137 CG ARG A 10 5.833 7.493 0.152 1.00 0.00 C ATOM 138 CD ARG A 10 4.676 7.483 1.138 1.00 0.00 C ATOM 139 NE ARG A 10 4.643 8.681 1.982 1.00 0.00 N ATOM 140 CZ ARG A 10 3.966 9.797 1.699 1.00 0.00 C ATOM 141 NH1 ARG A 10 3.278 9.900 0.565 1.00 0.00 N ATOM 142 NH2 ARG A 10 3.970 10.810 2.556 1.00 0.00 N ATOM 0 H ARG A 10 8.778 7.339 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 10 7.101 5.038 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.216 5.640 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.508 5.504 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.717 7.914 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.589 8.139 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.737 7.404 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.751 6.599 1.771 1.00 0.00 H new ATOM 0 HE ARG A 10 5.177 8.661 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.265 9.123 -0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.764 10.756 0.356 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.490 10.736 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.453 11.663 2.340 1.00 0.00 H new ATOM 153 N ASN A 11 5.757 7.140 -3.175 1.00 0.00 N ATOM 154 CA ASN A 11 5.711 7.927 -4.375 1.00 0.00 C ATOM 155 C ASN A 11 5.409 9.350 -4.037 1.00 0.00 C ATOM 156 O ASN A 11 4.959 9.648 -2.924 1.00 0.00 O ATOM 157 CB ASN A 11 4.684 7.316 -5.346 1.00 0.00 C ATOM 158 CG ASN A 11 3.374 8.107 -5.622 1.00 0.00 C ATOM 159 OD1 ASN A 11 2.691 7.826 -6.593 1.00 0.00 O ATOM 160 ND2 ASN A 11 2.948 8.997 -4.742 1.00 0.00 N ATOM 0 H ASN A 11 4.890 6.680 -2.898 1.00 0.00 H new ATOM 0 HA ASN A 11 6.680 7.918 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.184 7.155 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.406 6.334 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.045 9.452 -4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.523 9.229 -3.932 1.00 0.00 H new ATOM 166 N GLU A 12 5.561 10.222 -5.007 1.00 0.00 N ATOM 167 CA GLU A 12 5.276 11.591 -4.762 1.00 0.00 C ATOM 168 C GLU A 12 3.901 11.877 -5.192 1.00 0.00 C ATOM 169 O GLU A 12 3.645 12.194 -6.309 1.00 0.00 O ATOM 170 CB GLU A 12 6.183 12.558 -5.492 1.00 0.00 C ATOM 171 CG GLU A 12 7.640 12.494 -5.097 1.00 0.00 C ATOM 172 CD GLU A 12 8.572 12.957 -6.199 1.00 0.00 C ATOM 173 OE1 GLU A 12 8.397 14.083 -6.709 1.00 0.00 O ATOM 174 OE2 GLU A 12 9.503 12.199 -6.551 1.00 0.00 O ATOM 0 H GLU A 12 5.875 10.001 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 12 5.430 11.738 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.104 12.368 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.820 13.572 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.798 13.110 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.892 11.470 -4.822 1.00 0.00 H new ATOM 179 N ASN A 13 3.140 12.162 -4.222 1.00 0.00 N ATOM 180 CA ASN A 13 1.926 12.841 -4.428 1.00 0.00 C ATOM 181 C ASN A 13 2.284 14.228 -4.787 1.00 0.00 C ATOM 182 O ASN A 13 1.685 14.883 -5.625 1.00 0.00 O ATOM 183 CB ASN A 13 1.186 12.871 -3.138 1.00 0.00 C ATOM 184 CG ASN A 13 0.782 11.512 -2.650 1.00 0.00 C ATOM 185 OD1 ASN A 13 0.002 10.878 -3.470 1.00 0.00 O flip ATOM 186 ND2 ASN A 13 1.175 11.050 -1.585 1.00 0.00 N flip ATOM 0 H ASN A 13 3.339 11.930 -3.249 1.00 0.00 H new ATOM 0 HA ASN A 13 1.318 12.365 -5.198 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.808 13.350 -2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.294 13.487 -3.254 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.788 11.602 -0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.889 10.114 -1.299 1.00 0.00 H new ATOM 192 N TYR A 14 3.391 14.562 -4.210 1.00 0.00 N ATOM 193 CA TYR A 14 4.104 15.753 -4.453 1.00 0.00 C ATOM 194 C TYR A 14 4.521 15.817 -5.908 1.00 0.00 C ATOM 195 O TYR A 14 5.145 16.768 -6.312 1.00 0.00 O ATOM 196 CB TYR A 14 5.332 15.716 -3.521 1.00 0.00 C ATOM 197 CG TYR A 14 6.566 16.492 -3.950 1.00 0.00 C ATOM 198 CD1 TYR A 14 6.528 17.866 -4.124 1.00 0.00 C ATOM 199 CD2 TYR A 14 7.770 15.843 -4.170 1.00 0.00 C ATOM 200 CE1 TYR A 14 7.645 18.570 -4.513 1.00 0.00 C ATOM 201 CE2 TYR A 14 8.898 16.542 -4.558 1.00 0.00 C ATOM 202 CZ TYR A 14 8.829 17.905 -4.732 1.00 0.00 C ATOM 203 OH TYR A 14 9.949 18.603 -5.121 1.00 0.00 O ATOM 0 H TYR A 14 3.842 13.967 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 14 3.499 16.638 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.024 16.089 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.621 14.673 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.603 18.396 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.828 14.773 -4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.592 19.640 -4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.829 16.020 -4.724 1.00 0.00 H new ATOM 0 HH TYR A 14 10.699 17.982 -5.231 1.00 0.00 H new ATOM 212 N GLU A 15 4.234 14.767 -6.670 1.00 0.00 N ATOM 213 CA GLU A 15 4.354 14.822 -8.098 1.00 0.00 C ATOM 214 C GLU A 15 3.023 14.621 -8.703 1.00 0.00 C ATOM 215 O GLU A 15 2.676 15.252 -9.630 1.00 0.00 O ATOM 216 CB GLU A 15 5.381 13.839 -8.636 1.00 0.00 C ATOM 217 CG GLU A 15 4.938 12.385 -8.573 1.00 0.00 C ATOM 218 CD GLU A 15 5.932 11.424 -9.182 1.00 0.00 C ATOM 219 OE1 GLU A 15 6.180 11.498 -10.404 1.00 0.00 O ATOM 220 OE2 GLU A 15 6.470 10.584 -8.441 1.00 0.00 O ATOM 0 H GLU A 15 3.916 13.868 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 15 4.726 15.808 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.606 14.095 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.307 13.951 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.770 12.110 -7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.983 12.282 -9.088 1.00 0.00 H new ATOM 225 N LYS A 16 2.317 13.666 -8.210 1.00 0.00 N ATOM 226 CA LYS A 16 1.036 13.336 -8.786 1.00 0.00 C ATOM 227 C LYS A 16 0.190 14.539 -8.782 1.00 0.00 C ATOM 228 O LYS A 16 -0.035 15.178 -9.783 1.00 0.00 O ATOM 229 CB LYS A 16 0.328 12.293 -7.915 1.00 0.00 C ATOM 230 CG LYS A 16 1.249 11.410 -7.136 1.00 0.00 C ATOM 231 CD LYS A 16 0.494 10.435 -6.317 1.00 0.00 C ATOM 232 CE LYS A 16 0.253 9.150 -7.086 1.00 0.00 C ATOM 233 NZ LYS A 16 -0.680 8.238 -6.385 1.00 0.00 N ATOM 0 H LYS A 16 2.592 13.094 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 16 1.191 12.955 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.336 12.808 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.299 11.670 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.911 10.879 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.880 12.020 -6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.046 10.218 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.460 10.868 -6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.148 9.389 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.204 8.641 -7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.786 7.361 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.303 8.013 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.607 8.699 -6.287 1.00 0.00 H new ATOM 243 N PHE A 17 -0.055 14.950 -7.608 1.00 0.00 N ATOM 244 CA PHE A 17 -0.867 16.097 -7.360 1.00 0.00 C ATOM 245 C PHE A 17 -0.099 17.313 -7.682 1.00 0.00 C ATOM 246 O PHE A 17 -0.656 18.395 -7.799 1.00 0.00 O ATOM 247 CB PHE A 17 -1.251 16.151 -5.907 1.00 0.00 C ATOM 248 CG PHE A 17 -1.696 14.821 -5.310 1.00 0.00 C ATOM 249 CD1 PHE A 17 -1.001 13.643 -5.542 1.00 0.00 C ATOM 250 CD2 PHE A 17 -2.867 14.741 -4.576 1.00 0.00 C ATOM 251 CE1 PHE A 17 -1.448 12.460 -5.079 1.00 0.00 C ATOM 252 CE2 PHE A 17 -3.319 13.521 -4.097 1.00 0.00 C ATOM 253 CZ PHE A 17 -2.600 12.375 -4.362 1.00 0.00 C ATOM 0 H PHE A 17 0.303 14.501 -6.765 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.764 16.036 -7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.401 16.523 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.057 16.875 -5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.081 13.675 -6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.434 15.638 -4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.881 11.563 -5.281 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.230 13.469 -3.519 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.949 11.418 -4.003 1.00 0.00 H new ATOM 262 N MET A 18 1.186 17.134 -7.778 1.00 0.00 N ATOM 263 CA MET A 18 2.031 18.206 -8.173 1.00 0.00 C ATOM 264 C MET A 18 1.850 18.486 -9.628 1.00 0.00 C ATOM 265 O MET A 18 1.965 19.612 -10.102 1.00 0.00 O ATOM 266 CB MET A 18 3.430 17.796 -7.926 1.00 0.00 C ATOM 267 CG MET A 18 4.420 18.485 -8.856 1.00 0.00 C ATOM 268 SD MET A 18 6.116 17.895 -8.717 1.00 0.00 S ATOM 269 CE MET A 18 6.912 18.883 -9.980 1.00 0.00 C ATOM 0 H MET A 18 1.665 16.254 -7.587 1.00 0.00 H new ATOM 0 HA MET A 18 1.786 19.106 -7.608 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.693 18.021 -6.892 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.514 16.716 -8.049 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.086 18.351 -9.885 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.404 19.556 -8.653 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.973 18.636 -10.021 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.454 18.676 -10.947 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.795 19.940 -9.742 1.00 0.00 H new ATOM 277 N GLU A 19 1.791 17.414 -10.339 1.00 0.00 N ATOM 278 CA GLU A 19 1.696 17.466 -11.751 1.00 0.00 C ATOM 279 C GLU A 19 0.270 17.695 -12.156 1.00 0.00 C ATOM 280 O GLU A 19 0.001 18.108 -13.284 1.00 0.00 O ATOM 281 CB GLU A 19 2.154 16.157 -12.349 1.00 0.00 C ATOM 282 CG GLU A 19 3.613 15.856 -12.038 1.00 0.00 C ATOM 283 CD GLU A 19 4.156 14.675 -12.816 1.00 0.00 C ATOM 284 OE1 GLU A 19 3.354 13.940 -13.432 1.00 0.00 O ATOM 285 OE2 GLU A 19 5.387 14.470 -12.816 1.00 0.00 O ATOM 0 H GLU A 19 1.808 16.471 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 19 2.325 18.280 -12.110 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.530 15.349 -11.968 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.014 16.186 -13.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.215 16.737 -12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.718 15.659 -10.971 1.00 0.00 H new ATOM 290 N LYS A 20 -0.651 17.190 -11.343 1.00 0.00 N ATOM 291 CA LYS A 20 -1.996 17.084 -11.843 1.00 0.00 C ATOM 292 C LYS A 20 -3.048 17.674 -10.912 1.00 0.00 C ATOM 293 O LYS A 20 -3.982 18.332 -11.367 1.00 0.00 O ATOM 294 CB LYS A 20 -2.349 15.624 -12.173 1.00 0.00 C ATOM 295 CG LYS A 20 -2.346 14.666 -10.983 1.00 0.00 C ATOM 296 CD LYS A 20 -2.722 13.250 -11.396 1.00 0.00 C ATOM 297 CE LYS A 20 -1.694 12.636 -12.342 1.00 0.00 C ATOM 298 NZ LYS A 20 -1.868 13.075 -13.750 1.00 0.00 N ATOM 0 H LYS A 20 -0.496 16.866 -10.388 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.014 17.682 -12.754 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.337 15.602 -12.634 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.642 15.256 -12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.358 14.660 -10.524 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.046 15.022 -10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.814 12.626 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.698 13.261 -11.880 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.693 12.903 -12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.767 11.550 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.911 12.242 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.751 13.618 -13.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.064 13.673 -14.029 1.00 0.00 H new ATOM 308 N MET A 21 -3.024 17.224 -9.671 1.00 0.00 N ATOM 309 CA MET A 21 -4.129 17.458 -8.754 1.00 0.00 C ATOM 310 C MET A 21 -4.400 18.914 -8.496 1.00 0.00 C ATOM 311 O MET A 21 -5.435 19.457 -8.880 1.00 0.00 O ATOM 312 CB MET A 21 -3.848 16.799 -7.422 1.00 0.00 C ATOM 313 CG MET A 21 -3.879 15.306 -7.484 1.00 0.00 C ATOM 314 SD MET A 21 -5.159 14.652 -8.575 1.00 0.00 S ATOM 315 CE MET A 21 -6.639 15.113 -7.676 1.00 0.00 C ATOM 0 H MET A 21 -2.250 16.693 -9.272 1.00 0.00 H new ATOM 0 HA MET A 21 -5.007 17.031 -9.238 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.870 17.121 -7.064 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.583 17.141 -6.693 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.907 14.945 -7.821 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.034 14.913 -6.479 1.00 0.00 H new ATOM 0 HE1 MET A 21 -7.518 14.776 -8.225 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.626 14.647 -6.691 1.00 0.00 H new ATOM 0 HE3 MET A 21 -6.674 16.197 -7.564 1.00 0.00 H new ATOM 323 N GLY A 22 -3.522 19.491 -7.717 1.00 0.00 N ATOM 324 CA GLY A 22 -3.739 20.847 -7.255 1.00 0.00 C ATOM 325 C GLY A 22 -2.538 21.699 -7.510 1.00 0.00 C ATOM 326 O GLY A 22 -2.633 22.721 -8.182 1.00 0.00 O ATOM 0 H GLY A 22 -2.660 19.055 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.605 21.273 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.964 20.840 -6.189 1.00 0.00 H new ATOM 330 N ILE A 23 -1.390 21.122 -7.168 1.00 0.00 N ATOM 331 CA ILE A 23 -0.077 21.664 -7.504 1.00 0.00 C ATOM 332 C ILE A 23 0.143 23.078 -6.942 1.00 0.00 C ATOM 333 O ILE A 23 -0.792 23.867 -6.799 1.00 0.00 O ATOM 334 CB ILE A 23 0.197 21.612 -9.035 1.00 0.00 C ATOM 335 CG1 ILE A 23 0.022 22.989 -9.694 1.00 0.00 C ATOM 336 CG2 ILE A 23 -0.705 20.575 -9.720 1.00 0.00 C ATOM 337 CD1 ILE A 23 0.397 23.012 -11.160 1.00 0.00 C ATOM 0 H ILE A 23 -1.345 20.250 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 23 0.652 21.017 -7.016 1.00 0.00 H new ATOM 0 HB ILE A 23 1.237 21.311 -9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.016 23.304 -9.588 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.632 23.718 -9.160 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.494 20.559 -10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.512 19.589 -9.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.750 20.840 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.248 24.016 -11.558 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.444 22.729 -11.272 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.230 22.308 -11.707 1.00 0.00 H new ATOM 348 N ASN A 24 1.371 23.322 -6.489 1.00 0.00 N ATOM 349 CA ASN A 24 1.766 24.588 -5.850 1.00 0.00 C ATOM 350 C ASN A 24 1.172 24.717 -4.448 1.00 0.00 C ATOM 351 O ASN A 24 1.902 24.873 -3.474 1.00 0.00 O ATOM 352 CB ASN A 24 1.368 25.798 -6.707 1.00 0.00 C ATOM 353 CG ASN A 24 1.798 27.112 -6.081 1.00 0.00 C ATOM 354 OD1 ASN A 24 2.985 27.347 -5.851 1.00 0.00 O ATOM 355 ND2 ASN A 24 0.840 27.986 -5.818 1.00 0.00 N ATOM 0 H ASN A 24 2.131 22.644 -6.553 1.00 0.00 H new ATOM 0 HA ASN A 24 2.852 24.573 -5.761 1.00 0.00 H new ATOM 0 HB2 ASN A 24 1.818 25.704 -7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.287 25.801 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.074 28.891 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.132 27.754 -6.023 1.00 0.00 H new ATOM 361 N VAL A 25 -0.145 24.581 -4.348 1.00 0.00 N ATOM 362 CA VAL A 25 -0.835 24.623 -3.062 1.00 0.00 C ATOM 363 C VAL A 25 -0.555 23.365 -2.241 1.00 0.00 C ATOM 364 O VAL A 25 -0.717 23.361 -1.023 1.00 0.00 O ATOM 365 CB VAL A 25 -2.357 24.786 -3.244 1.00 0.00 C ATOM 366 CG1 VAL A 25 -2.679 26.152 -3.822 1.00 0.00 C ATOM 367 CG2 VAL A 25 -2.915 23.685 -4.134 1.00 0.00 C ATOM 0 H VAL A 25 -0.761 24.440 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.450 25.490 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.829 24.704 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.758 26.250 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.318 26.927 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.193 26.261 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.991 23.820 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.437 23.731 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.718 22.714 -3.679 1.00 0.00 H new ATOM 377 N VAL A 26 -0.138 22.297 -2.931 1.00 0.00 N ATOM 378 CA VAL A 26 0.177 21.020 -2.286 1.00 0.00 C ATOM 379 C VAL A 26 -1.049 20.460 -1.558 1.00 0.00 C ATOM 380 O VAL A 26 -1.068 20.374 -0.330 1.00 0.00 O ATOM 381 CB VAL A 26 1.357 21.144 -1.290 1.00 0.00 C ATOM 382 CG1 VAL A 26 1.844 19.771 -0.846 1.00 0.00 C ATOM 383 CG2 VAL A 26 2.499 21.942 -1.893 1.00 0.00 C ATOM 0 H VAL A 26 -0.011 22.294 -3.943 1.00 0.00 H new ATOM 0 HA VAL A 26 0.474 20.334 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 26 0.993 21.678 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.673 19.887 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.029 19.237 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.179 19.205 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.314 22.013 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.855 21.444 -2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.150 22.943 -2.146 1.00 0.00 H new ATOM 393 N LYS A 27 -2.093 20.135 -2.323 1.00 0.00 N ATOM 394 CA LYS A 27 -3.329 19.596 -1.743 1.00 0.00 C ATOM 395 C LYS A 27 -3.027 18.369 -0.890 1.00 0.00 C ATOM 396 O LYS A 27 -2.983 18.460 0.337 1.00 0.00 O ATOM 397 CB LYS A 27 -4.334 19.248 -2.846 1.00 0.00 C ATOM 398 CG LYS A 27 -5.167 20.433 -3.303 1.00 0.00 C ATOM 399 CD LYS A 27 -6.171 20.848 -2.234 1.00 0.00 C ATOM 400 CE LYS A 27 -6.976 22.068 -2.650 1.00 0.00 C ATOM 401 NZ LYS A 27 -6.125 23.282 -2.753 1.00 0.00 N ATOM 0 H LYS A 27 -2.110 20.234 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.771 20.361 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.796 18.841 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.000 18.464 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.512 21.273 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.695 20.177 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.849 20.019 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.643 21.062 -1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.455 21.877 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.772 22.242 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.530 24.041 -2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.165 23.063 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.083 23.594 -3.744 1.00 0.00 H new ATOM 411 N ARG A 28 -2.594 17.296 -1.536 1.00 0.00 N ATOM 412 CA ARG A 28 -2.046 16.172 -0.797 1.00 0.00 C ATOM 413 C ARG A 28 -0.534 16.257 -0.778 1.00 0.00 C ATOM 414 O ARG A 28 0.047 16.460 0.285 1.00 0.00 O ATOM 415 CB ARG A 28 -2.508 14.808 -1.364 1.00 0.00 C ATOM 416 CG ARG A 28 -1.478 13.674 -1.222 1.00 0.00 C ATOM 417 CD ARG A 28 -2.049 12.411 -0.602 1.00 0.00 C ATOM 418 NE ARG A 28 -3.265 11.962 -1.267 1.00 0.00 N ATOM 419 CZ ARG A 28 -3.782 10.746 -1.127 1.00 0.00 C ATOM 420 NH1 ARG A 28 -3.171 9.837 -0.377 1.00 0.00 N ATOM 421 NH2 ARG A 28 -4.903 10.439 -1.753 1.00 0.00 N ATOM 0 H ARG A 28 -2.611 17.182 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.427 16.233 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.427 14.512 -0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.750 14.931 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.074 13.436 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.645 14.024 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.301 11.619 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.261 12.591 0.452 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.749 12.621 -1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.298 10.070 0.097 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.574 8.906 -0.275 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.366 11.133 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.306 9.508 -1.650 1.00 0.00 H new ATOM 432 N LYS A 29 0.076 16.018 -1.956 1.00 0.00 N ATOM 433 CA LYS A 29 1.519 15.829 -2.090 1.00 0.00 C ATOM 434 C LYS A 29 2.160 15.399 -0.798 1.00 0.00 C ATOM 435 O LYS A 29 1.846 14.319 -0.289 1.00 0.00 O ATOM 436 CB LYS A 29 2.239 17.027 -2.664 1.00 0.00 C ATOM 437 CG LYS A 29 1.678 17.463 -3.996 1.00 0.00 C ATOM 438 CD LYS A 29 2.186 18.817 -4.415 1.00 0.00 C ATOM 439 CE LYS A 29 3.656 18.839 -4.757 1.00 0.00 C ATOM 440 NZ LYS A 29 4.075 20.140 -5.338 1.00 0.00 N ATOM 0 H LYS A 29 -0.428 15.952 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 29 1.627 15.021 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.175 17.856 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.296 16.788 -2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.941 16.728 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.590 17.488 -3.939 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.616 19.156 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.999 19.529 -3.611 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.240 18.639 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.875 18.039 -5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.091 20.111 -5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.537 20.320 -6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.891 20.901 -4.654 1.00 0.00 H new ATOM 450 N LEU A 30 3.244 16.083 -0.459 1.00 0.00 N ATOM 451 CA LEU A 30 4.137 15.608 0.588 1.00 0.00 C ATOM 452 C LEU A 30 4.728 14.323 0.066 1.00 0.00 C ATOM 453 O LEU A 30 5.106 13.412 0.799 1.00 0.00 O ATOM 454 CB LEU A 30 3.401 15.374 1.912 1.00 0.00 C ATOM 455 CG LEU A 30 2.584 16.559 2.430 1.00 0.00 C ATOM 456 CD1 LEU A 30 1.919 16.202 3.749 1.00 0.00 C ATOM 457 CD2 LEU A 30 3.460 17.790 2.588 1.00 0.00 C ATOM 0 H LEU A 30 3.525 16.963 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 30 4.904 16.350 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.734 14.521 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.134 15.101 2.671 1.00 0.00 H new ATOM 0 HG LEU A 30 1.808 16.789 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.341 17.054 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.256 15.349 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.682 15.947 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.858 18.620 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.260 17.578 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.891 18.056 1.623 1.00 0.00 H new ATOM 468 N GLY A 31 4.607 14.223 -1.249 1.00 0.00 N ATOM 469 CA GLY A 31 4.972 13.064 -1.980 1.00 0.00 C ATOM 470 C GLY A 31 6.417 12.662 -1.814 1.00 0.00 C ATOM 471 O GLY A 31 6.791 11.593 -2.242 1.00 0.00 O ATOM 0 H GLY A 31 4.241 14.975 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.337 12.235 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.773 13.237 -3.038 1.00 0.00 H new ATOM 475 N ALA A 32 7.216 13.506 -1.183 1.00 0.00 N ATOM 476 CA ALA A 32 8.614 13.193 -0.920 1.00 0.00 C ATOM 477 C ALA A 32 8.932 13.509 0.527 1.00 0.00 C ATOM 478 O ALA A 32 9.822 14.307 0.828 1.00 0.00 O ATOM 479 CB ALA A 32 9.527 13.966 -1.862 1.00 0.00 C ATOM 0 H ALA A 32 6.919 14.420 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 32 8.785 12.131 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.566 13.717 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.295 13.700 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.374 15.036 -1.721 1.00 0.00 H new ATOM 485 N HIS A 33 8.075 13.017 1.409 1.00 0.00 N ATOM 486 CA HIS A 33 8.134 13.371 2.807 1.00 0.00 C ATOM 487 C HIS A 33 8.645 12.241 3.664 1.00 0.00 C ATOM 488 O HIS A 33 8.123 11.125 3.619 1.00 0.00 O ATOM 489 CB HIS A 33 6.751 13.782 3.310 1.00 0.00 C ATOM 490 CG HIS A 33 6.684 15.200 3.763 1.00 0.00 C ATOM 491 ND1 HIS A 33 7.220 16.228 3.034 1.00 0.00 N ATOM 492 CD2 HIS A 33 6.107 15.766 4.848 1.00 0.00 C ATOM 493 CE1 HIS A 33 6.970 17.373 3.641 1.00 0.00 C ATOM 494 NE2 HIS A 33 6.298 17.121 4.748 1.00 0.00 N ATOM 0 H HIS A 33 7.326 12.366 1.172 1.00 0.00 H new ATOM 0 HA HIS A 33 8.831 14.205 2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.022 13.628 2.514 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.464 13.131 4.136 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.592 15.248 5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 33 7.266 18.351 3.291 1.00 0.00 H new ATOM 0 HE2 HIS A 33 5.974 17.818 5.418 1.00 0.00 H new ATOM 502 N ALA A 34 9.467 12.649 4.609 1.00 0.00 N ATOM 503 CA ALA A 34 9.853 11.836 5.756 1.00 0.00 C ATOM 504 C ALA A 34 10.713 10.614 5.427 1.00 0.00 C ATOM 505 O ALA A 34 10.441 9.869 4.480 1.00 0.00 O ATOM 506 CB ALA A 34 8.616 11.407 6.535 1.00 0.00 C ATOM 0 H ALA A 34 9.897 13.574 4.606 1.00 0.00 H new ATOM 0 HA ALA A 34 10.489 12.482 6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.916 10.800 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.083 12.290 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.962 10.823 5.887 1.00 0.00 H new ATOM 512 N ASN A 35 11.639 10.328 6.342 1.00 0.00 N ATOM 513 CA ASN A 35 12.402 9.079 6.330 1.00 0.00 C ATOM 514 C ASN A 35 11.494 7.954 6.812 1.00 0.00 C ATOM 515 O ASN A 35 10.475 8.230 7.446 1.00 0.00 O ATOM 516 CB ASN A 35 13.632 9.183 7.240 1.00 0.00 C ATOM 517 CG ASN A 35 14.660 10.189 6.749 1.00 0.00 C ATOM 518 OD1 ASN A 35 14.358 11.367 6.546 1.00 0.00 O ATOM 519 ND2 ASN A 35 15.889 9.736 6.568 1.00 0.00 N ATOM 0 H ASN A 35 11.881 10.953 7.111 1.00 0.00 H new ATOM 0 HA ASN A 35 12.750 8.877 5.317 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.310 9.463 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.102 8.202 7.318 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.624 10.368 6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.102 8.755 6.746 1.00 0.00 H new ATOM 525 N LEU A 36 11.791 6.707 6.449 1.00 0.00 N ATOM 526 CA LEU A 36 10.909 5.610 6.764 1.00 0.00 C ATOM 527 C LEU A 36 11.632 4.321 6.519 1.00 0.00 C ATOM 528 O LEU A 36 12.503 4.269 5.652 1.00 0.00 O ATOM 529 CB LEU A 36 9.652 5.697 5.888 1.00 0.00 C ATOM 530 CG LEU A 36 9.928 5.859 4.387 1.00 0.00 C ATOM 531 CD1 LEU A 36 10.255 4.518 3.748 1.00 0.00 C ATOM 532 CD2 LEU A 36 8.746 6.525 3.683 1.00 0.00 C ATOM 0 H LEU A 36 12.634 6.443 5.939 1.00 0.00 H new ATOM 0 HA LEU A 36 10.607 5.657 7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.057 4.796 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.048 6.539 6.226 1.00 0.00 H new ATOM 0 HG LEU A 36 10.796 6.508 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.447 4.659 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.140 4.095 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.413 3.838 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.967 6.628 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.854 5.912 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.573 7.511 4.115 1.00 0.00 H new ATOM 543 N LYS A 37 11.270 3.257 7.206 1.00 0.00 N ATOM 544 CA LYS A 37 11.880 2.013 6.867 1.00 0.00 C ATOM 545 C LYS A 37 10.821 1.017 6.450 1.00 0.00 C ATOM 546 O LYS A 37 9.700 1.082 6.945 1.00 0.00 O ATOM 547 CB LYS A 37 12.713 1.456 8.009 1.00 0.00 C ATOM 548 CG LYS A 37 11.887 0.868 9.135 1.00 0.00 C ATOM 549 CD LYS A 37 12.730 0.701 10.380 1.00 0.00 C ATOM 550 CE LYS A 37 13.816 -0.349 10.198 1.00 0.00 C ATOM 551 NZ LYS A 37 14.651 -0.507 11.416 1.00 0.00 N ATOM 0 H LYS A 37 10.589 3.235 7.965 1.00 0.00 H new ATOM 0 HA LYS A 37 12.558 2.192 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.380 0.687 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.343 2.251 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.038 1.517 9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.482 -0.097 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.189 1.656 10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.090 0.419 11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.357 -1.305 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.451 -0.071 9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.377 -1.232 11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.111 0.398 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.050 -0.798 12.213 1.00 0.00 H new ATOM 561 N LEU A 38 11.124 0.144 5.496 1.00 0.00 N ATOM 562 CA LEU A 38 10.135 -0.801 5.048 1.00 0.00 C ATOM 563 C LEU A 38 10.674 -2.214 5.096 1.00 0.00 C ATOM 564 O LEU A 38 11.705 -2.508 4.518 1.00 0.00 O ATOM 565 CB LEU A 38 9.695 -0.459 3.642 1.00 0.00 C ATOM 566 CG LEU A 38 8.352 0.275 3.534 1.00 0.00 C ATOM 567 CD1 LEU A 38 8.474 1.726 3.953 1.00 0.00 C ATOM 568 CD2 LEU A 38 7.798 0.169 2.129 1.00 0.00 C ATOM 0 H LEU A 38 12.030 0.078 5.032 1.00 0.00 H new ATOM 0 HA LEU A 38 9.277 -0.743 5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.465 0.157 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.634 -1.381 3.064 1.00 0.00 H new ATOM 0 HG LEU A 38 7.656 -0.208 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.503 2.213 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.812 1.779 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.194 2.231 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.845 0.696 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.501 0.615 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.648 -0.880 1.875 1.00 0.00 H new ATOM 579 N THR A 39 9.985 -3.062 5.821 1.00 0.00 N ATOM 580 CA THR A 39 10.369 -4.446 6.015 1.00 0.00 C ATOM 581 C THR A 39 9.082 -5.267 5.742 1.00 0.00 C ATOM 582 O THR A 39 8.043 -4.627 5.584 1.00 0.00 O ATOM 583 CB THR A 39 10.869 -4.606 7.460 1.00 0.00 C ATOM 584 OG1 THR A 39 11.860 -3.611 7.761 1.00 0.00 O ATOM 585 CG2 THR A 39 11.432 -5.996 7.717 1.00 0.00 C ATOM 0 H THR A 39 9.123 -2.807 6.304 1.00 0.00 H new ATOM 0 HA THR A 39 11.172 -4.781 5.358 1.00 0.00 H new ATOM 0 HB THR A 39 10.010 -4.470 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.241 -3.266 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.774 -6.065 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.656 -6.741 7.541 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.270 -6.179 7.045 1.00 0.00 H new ATOM 593 N ILE A 40 9.071 -6.619 5.630 1.00 0.00 N ATOM 594 CA ILE A 40 7.840 -7.312 5.303 1.00 0.00 C ATOM 595 C ILE A 40 8.008 -8.776 5.644 1.00 0.00 C ATOM 596 O ILE A 40 8.937 -9.419 5.153 1.00 0.00 O ATOM 597 CB ILE A 40 7.476 -7.262 3.788 1.00 0.00 C ATOM 598 CG1 ILE A 40 8.518 -8.004 2.960 1.00 0.00 C ATOM 599 CG2 ILE A 40 7.263 -5.858 3.254 1.00 0.00 C ATOM 600 CD1 ILE A 40 9.882 -7.366 2.909 1.00 0.00 C ATOM 0 H ILE A 40 9.885 -7.220 5.760 1.00 0.00 H new ATOM 0 HA ILE A 40 7.052 -6.815 5.868 1.00 0.00 H new ATOM 0 HB ILE A 40 6.514 -7.765 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.623 -9.013 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.144 -8.102 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.013 -5.906 2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.447 -5.382 3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.175 -5.276 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.546 -7.974 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.801 -6.368 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.288 -7.293 3.918 1.00 0.00 H new ATOM 611 N THR A 41 7.296 -9.265 6.622 1.00 0.00 N ATOM 612 CA THR A 41 7.549 -10.648 6.998 1.00 0.00 C ATOM 613 C THR A 41 6.554 -11.200 8.038 1.00 0.00 C ATOM 614 O THR A 41 6.369 -10.611 9.101 1.00 0.00 O ATOM 615 CB THR A 41 9.041 -10.789 7.417 1.00 0.00 C ATOM 616 OG1 THR A 41 9.446 -12.160 7.450 1.00 0.00 O ATOM 617 CG2 THR A 41 9.369 -10.123 8.730 1.00 0.00 C ATOM 0 H THR A 41 6.577 -8.772 7.151 1.00 0.00 H new ATOM 0 HA THR A 41 7.372 -11.283 6.130 1.00 0.00 H new ATOM 0 HB THR A 41 9.606 -10.263 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.331 -12.230 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.426 -10.264 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.151 -9.057 8.662 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.767 -10.566 9.523 1.00 0.00 H new ATOM 625 N GLN A 42 5.959 -12.368 7.742 1.00 0.00 N ATOM 626 CA GLN A 42 5.092 -13.067 8.684 1.00 0.00 C ATOM 627 C GLN A 42 4.564 -14.343 8.069 1.00 0.00 C ATOM 628 O GLN A 42 5.055 -15.437 8.355 1.00 0.00 O ATOM 629 CB GLN A 42 3.893 -12.239 9.134 1.00 0.00 C ATOM 630 CG GLN A 42 2.895 -13.084 9.908 1.00 0.00 C ATOM 631 CD GLN A 42 3.427 -13.500 11.263 1.00 0.00 C ATOM 632 OE1 GLN A 42 3.804 -12.660 12.076 1.00 0.00 O ATOM 633 NE2 GLN A 42 3.466 -14.797 11.516 1.00 0.00 N ATOM 0 H GLN A 42 6.069 -12.845 6.847 1.00 0.00 H new ATOM 0 HA GLN A 42 5.714 -13.272 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.233 -11.412 9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.404 -11.801 8.264 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.970 -12.522 10.040 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.648 -13.973 9.328 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.144 -15.463 10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.819 -15.131 12.413 1.00 0.00 H new ATOM 640 N GLU A 43 3.569 -14.197 7.206 1.00 0.00 N ATOM 641 CA GLU A 43 2.986 -15.337 6.560 1.00 0.00 C ATOM 642 C GLU A 43 3.498 -15.354 5.148 1.00 0.00 C ATOM 643 O GLU A 43 3.918 -14.296 4.668 1.00 0.00 O ATOM 644 CB GLU A 43 1.459 -15.264 6.559 1.00 0.00 C ATOM 645 CG GLU A 43 0.856 -14.913 7.905 1.00 0.00 C ATOM 646 CD GLU A 43 -0.654 -14.869 7.866 1.00 0.00 C ATOM 647 OE1 GLU A 43 -1.209 -14.114 7.039 1.00 0.00 O ATOM 648 OE2 GLU A 43 -1.297 -15.579 8.663 1.00 0.00 O ATOM 0 H GLU A 43 3.158 -13.300 6.946 1.00 0.00 H new ATOM 0 HA GLU A 43 3.261 -16.246 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.142 -14.522 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.060 -16.225 6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.176 -15.646 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.237 -13.944 8.229 1.00 0.00 H new ATOM 653 N GLY A 44 3.338 -16.430 4.390 1.00 0.00 N ATOM 654 CA GLY A 44 3.673 -16.215 3.021 1.00 0.00 C ATOM 655 C GLY A 44 2.454 -16.103 2.147 1.00 0.00 C ATOM 656 O GLY A 44 2.350 -16.774 1.118 1.00 0.00 O ATOM 0 H GLY A 44 3.015 -17.356 4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.266 -15.305 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.296 -17.037 2.668 1.00 0.00 H new ATOM 660 N ASN A 45 1.941 -14.906 2.282 1.00 0.00 N ATOM 661 CA ASN A 45 1.163 -14.179 1.302 1.00 0.00 C ATOM 662 C ASN A 45 0.951 -12.852 1.971 1.00 0.00 C ATOM 663 O ASN A 45 0.091 -12.725 2.841 1.00 0.00 O ATOM 664 CB ASN A 45 -0.193 -14.829 0.944 1.00 0.00 C ATOM 665 CG ASN A 45 -1.050 -15.286 2.135 1.00 0.00 C ATOM 666 OD1 ASN A 45 -0.430 -15.692 3.240 1.00 0.00 O flip ATOM 667 ND2 ASN A 45 -2.279 -15.324 2.037 1.00 0.00 N flip ATOM 0 H ASN A 45 2.064 -14.372 3.142 1.00 0.00 H new ATOM 0 HA ASN A 45 1.680 -14.137 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.772 -14.117 0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.004 -15.691 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.732 -15.007 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.842 -15.672 2.813 1.00 0.00 H new ATOM 673 N LYS A 46 1.920 -11.993 1.806 1.00 0.00 N ATOM 674 CA LYS A 46 2.007 -10.855 2.689 1.00 0.00 C ATOM 675 C LYS A 46 3.160 -9.980 2.262 1.00 0.00 C ATOM 676 O LYS A 46 4.205 -10.522 1.910 1.00 0.00 O ATOM 677 CB LYS A 46 2.272 -11.373 4.111 1.00 0.00 C ATOM 678 CG LYS A 46 1.685 -10.554 5.237 1.00 0.00 C ATOM 679 CD LYS A 46 1.845 -11.324 6.530 1.00 0.00 C ATOM 680 CE LYS A 46 1.218 -10.631 7.716 1.00 0.00 C ATOM 681 NZ LYS A 46 -0.263 -10.529 7.604 1.00 0.00 N ATOM 0 H LYS A 46 2.644 -12.052 1.090 1.00 0.00 H new ATOM 0 HA LYS A 46 1.082 -10.279 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.881 -12.388 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.350 -11.435 4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.189 -9.590 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.631 -10.350 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.397 -12.311 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.906 -11.476 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.473 -11.174 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.641 -9.631 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.658 -10.203 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.509 -9.851 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.659 -11.462 7.370 1.00 0.00 H new ATOM 691 N PHE A 47 3.134 -8.714 2.632 1.00 0.00 N ATOM 692 CA PHE A 47 4.358 -7.941 2.599 1.00 0.00 C ATOM 693 C PHE A 47 4.211 -6.862 3.621 1.00 0.00 C ATOM 694 O PHE A 47 3.742 -5.784 3.306 1.00 0.00 O ATOM 695 CB PHE A 47 4.599 -7.292 1.222 1.00 0.00 C ATOM 696 CG PHE A 47 4.604 -8.244 0.061 1.00 0.00 C ATOM 697 CD1 PHE A 47 3.412 -8.679 -0.499 1.00 0.00 C ATOM 698 CD2 PHE A 47 5.796 -8.713 -0.460 1.00 0.00 C ATOM 699 CE1 PHE A 47 3.412 -9.562 -1.554 1.00 0.00 C ATOM 700 CE2 PHE A 47 5.801 -9.595 -1.519 1.00 0.00 C ATOM 701 CZ PHE A 47 4.607 -10.021 -2.067 1.00 0.00 C ATOM 0 H PHE A 47 2.305 -8.212 2.950 1.00 0.00 H new ATOM 0 HA PHE A 47 5.205 -8.597 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.828 -6.540 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.555 -6.769 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.474 -8.321 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.732 -8.385 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.477 -9.895 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.738 -9.953 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.609 -10.713 -2.896 1.00 0.00 H new ATOM 710 N THR A 48 4.721 -7.084 4.815 1.00 0.00 N ATOM 711 CA THR A 48 4.597 -6.067 5.821 1.00 0.00 C ATOM 712 C THR A 48 5.436 -6.348 7.029 1.00 0.00 C ATOM 713 O THR A 48 5.366 -7.427 7.604 1.00 0.00 O ATOM 714 CB THR A 48 3.139 -5.913 6.263 1.00 0.00 C ATOM 715 OG1 THR A 48 2.894 -4.551 6.651 1.00 0.00 O ATOM 716 CG2 THR A 48 2.821 -6.807 7.435 1.00 0.00 C ATOM 0 H THR A 48 5.209 -7.933 5.101 1.00 0.00 H new ATOM 0 HA THR A 48 4.952 -5.144 5.363 1.00 0.00 H new ATOM 0 HB THR A 48 2.506 -6.195 5.422 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.579 -4.042 5.875 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.778 -6.672 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.989 -7.847 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.466 -6.549 8.275 1.00 0.00 H new ATOM 724 N VAL A 49 6.208 -5.357 7.385 1.00 0.00 N ATOM 725 CA VAL A 49 6.901 -5.272 8.642 1.00 0.00 C ATOM 726 C VAL A 49 7.573 -3.916 8.631 1.00 0.00 C ATOM 727 O VAL A 49 8.551 -3.818 7.986 1.00 0.00 O ATOM 728 CB VAL A 49 8.033 -6.323 8.774 1.00 0.00 C ATOM 729 CG1 VAL A 49 9.016 -5.944 9.867 1.00 0.00 C ATOM 730 CG2 VAL A 49 7.538 -7.701 9.035 1.00 0.00 C ATOM 0 H VAL A 49 6.378 -4.553 6.781 1.00 0.00 H new ATOM 0 HA VAL A 49 6.194 -5.434 9.455 1.00 0.00 H new ATOM 0 HB VAL A 49 8.530 -6.324 7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.797 -6.702 9.933 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.466 -4.979 9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.492 -5.879 10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.385 -8.383 9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.972 -7.714 9.966 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.894 -8.018 8.215 1.00 0.00 H new ATOM 740 N LYS A 50 7.142 -2.843 9.217 1.00 0.00 N ATOM 741 CA LYS A 50 7.977 -1.668 9.014 1.00 0.00 C ATOM 742 C LYS A 50 7.622 -0.538 9.924 1.00 0.00 C ATOM 743 O LYS A 50 6.782 0.281 9.596 1.00 0.00 O ATOM 744 CB LYS A 50 7.939 -1.216 7.550 1.00 0.00 C ATOM 745 CG LYS A 50 6.642 -1.515 6.833 1.00 0.00 C ATOM 746 CD LYS A 50 6.858 -1.812 5.360 1.00 0.00 C ATOM 747 CE LYS A 50 5.602 -2.347 4.683 1.00 0.00 C ATOM 748 NZ LYS A 50 4.629 -1.275 4.351 1.00 0.00 N ATOM 0 H LYS A 50 6.304 -2.739 9.789 1.00 0.00 H new ATOM 0 HA LYS A 50 8.995 -1.965 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.122 -0.142 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.756 -1.699 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.155 -2.367 7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.967 -0.665 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.181 -0.903 4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.662 -2.540 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.882 -2.873 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.124 -3.076 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.683 -1.690 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.607 -0.576 5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.915 -0.808 3.467 1.00 0.00 H new ATOM 758 N GLU A 51 8.390 -0.364 10.964 1.00 0.00 N ATOM 759 CA GLU A 51 8.159 0.761 11.821 1.00 0.00 C ATOM 760 C GLU A 51 9.304 1.765 11.714 1.00 0.00 C ATOM 761 O GLU A 51 10.149 1.821 12.607 1.00 0.00 O ATOM 762 CB GLU A 51 8.083 0.244 13.263 1.00 0.00 C ATOM 763 CG GLU A 51 7.064 -0.871 13.491 1.00 0.00 C ATOM 764 CD GLU A 51 7.194 -1.493 14.865 1.00 0.00 C ATOM 765 OE1 GLU A 51 8.110 -1.093 15.619 1.00 0.00 O ATOM 766 OE2 GLU A 51 6.393 -2.391 15.197 1.00 0.00 O ATOM 0 H GLU A 51 9.163 -0.972 11.233 1.00 0.00 H new ATOM 0 HA GLU A 51 7.235 1.259 11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.068 -0.118 13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.841 1.079 13.921 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.057 -0.471 13.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.195 -1.642 12.731 1.00 0.00 H new ATOM 771 N SER A 52 9.171 2.729 10.800 1.00 0.00 N ATOM 772 CA SER A 52 10.003 3.923 10.827 1.00 0.00 C ATOM 773 C SER A 52 9.469 4.975 9.888 1.00 0.00 C ATOM 774 O SER A 52 9.113 4.684 8.750 1.00 0.00 O ATOM 775 CB SER A 52 11.456 3.583 10.552 1.00 0.00 C ATOM 776 OG SER A 52 12.020 4.332 9.499 1.00 0.00 O ATOM 0 H SER A 52 8.496 2.702 10.036 1.00 0.00 H new ATOM 0 HA SER A 52 9.964 4.346 11.831 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.038 3.750 11.458 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.534 2.522 10.315 1.00 0.00 H new ATOM 0 HG SER A 52 12.989 4.187 9.476 1.00 0.00 H new ATOM 781 N SER A 53 9.351 6.174 10.427 1.00 0.00 N ATOM 782 CA SER A 53 8.871 7.338 9.716 1.00 0.00 C ATOM 783 C SER A 53 9.213 8.566 10.548 1.00 0.00 C ATOM 784 O SER A 53 9.719 8.425 11.663 1.00 0.00 O ATOM 785 CB SER A 53 7.362 7.276 9.430 1.00 0.00 C ATOM 786 OG SER A 53 7.038 6.228 8.530 1.00 0.00 O ATOM 0 H SER A 53 9.594 6.368 11.399 1.00 0.00 H new ATOM 0 HA SER A 53 9.357 7.382 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.821 7.132 10.365 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.032 8.228 9.014 1.00 0.00 H new ATOM 0 HG SER A 53 7.861 5.791 8.227 1.00 0.00 H new ATOM 791 N ASN A 54 9.090 9.735 9.939 1.00 0.00 N ATOM 792 CA ASN A 54 9.497 11.019 10.538 1.00 0.00 C ATOM 793 C ASN A 54 9.210 11.150 12.046 1.00 0.00 C ATOM 794 O ASN A 54 9.966 11.806 12.759 1.00 0.00 O ATOM 795 CB ASN A 54 8.807 12.160 9.778 1.00 0.00 C ATOM 796 CG ASN A 54 8.961 13.518 10.439 1.00 0.00 C ATOM 797 OD1 ASN A 54 8.249 13.846 11.390 1.00 0.00 O ATOM 798 ND2 ASN A 54 9.901 14.310 9.951 1.00 0.00 N ATOM 0 H ASN A 54 8.700 9.832 9.001 1.00 0.00 H new ATOM 0 HA ASN A 54 10.582 11.070 10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.214 12.210 8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.746 11.931 9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.058 15.230 10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.469 14.001 9.162 1.00 0.00 H new ATOM 804 N PHE A 55 8.109 10.589 12.525 1.00 0.00 N ATOM 805 CA PHE A 55 7.722 10.779 13.926 1.00 0.00 C ATOM 806 C PHE A 55 7.003 9.551 14.467 1.00 0.00 C ATOM 807 O PHE A 55 7.386 8.998 15.498 1.00 0.00 O ATOM 808 CB PHE A 55 6.829 12.019 14.056 1.00 0.00 C ATOM 809 CG PHE A 55 6.300 12.253 15.443 1.00 0.00 C ATOM 810 CD1 PHE A 55 7.136 12.168 16.546 1.00 0.00 C ATOM 811 CD2 PHE A 55 4.963 12.554 15.643 1.00 0.00 C ATOM 812 CE1 PHE A 55 6.646 12.379 17.820 1.00 0.00 C ATOM 813 CE2 PHE A 55 4.469 12.766 16.913 1.00 0.00 C ATOM 814 CZ PHE A 55 5.311 12.679 18.003 1.00 0.00 C ATOM 0 H PHE A 55 7.473 10.007 11.979 1.00 0.00 H new ATOM 0 HA PHE A 55 8.627 10.925 14.516 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.396 12.896 13.742 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.988 11.921 13.370 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.181 11.934 16.407 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.299 12.624 14.794 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.306 12.309 18.672 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.424 13.000 17.054 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.926 12.845 18.998 1.00 0.00 H new ATOM 823 N ARG A 56 6.075 9.048 13.685 1.00 0.00 N ATOM 824 CA ARG A 56 5.393 7.809 14.003 1.00 0.00 C ATOM 825 C ARG A 56 6.045 6.724 13.176 1.00 0.00 C ATOM 826 O ARG A 56 6.591 7.023 12.126 1.00 0.00 O ATOM 827 CB ARG A 56 3.905 7.934 13.662 1.00 0.00 C ATOM 828 CG ARG A 56 3.116 6.648 13.836 1.00 0.00 C ATOM 829 CD ARG A 56 1.661 6.829 13.427 1.00 0.00 C ATOM 830 NE ARG A 56 0.900 5.583 13.528 1.00 0.00 N ATOM 831 CZ ARG A 56 0.619 4.964 14.678 1.00 0.00 C ATOM 832 NH1 ARG A 56 0.948 5.522 15.838 1.00 0.00 N ATOM 833 NH2 ARG A 56 -0.018 3.799 14.670 1.00 0.00 N ATOM 0 H ARG A 56 5.771 9.482 12.814 1.00 0.00 H new ATOM 0 HA ARG A 56 5.468 7.574 15.065 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.463 8.706 14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.807 8.270 12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.568 5.858 13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.166 6.327 14.876 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.199 7.587 14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.616 7.198 12.402 1.00 0.00 H new ATOM 0 HE ARG A 56 0.562 5.160 12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.417 6.427 15.853 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.731 5.045 16.713 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.294 3.375 13.784 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.231 3.328 15.549 1.00 0.00 H new ATOM 844 N ASN A 57 6.096 5.498 13.664 1.00 0.00 N ATOM 845 CA ASN A 57 6.785 4.468 12.929 1.00 0.00 C ATOM 846 C ASN A 57 6.236 3.125 13.242 1.00 0.00 C ATOM 847 O ASN A 57 6.608 2.480 14.216 1.00 0.00 O ATOM 848 CB ASN A 57 8.294 4.496 13.183 1.00 0.00 C ATOM 849 CG ASN A 57 8.687 4.776 14.625 1.00 0.00 C ATOM 850 OD1 ASN A 57 9.461 5.831 14.821 1.00 0.00 O flip ATOM 851 ND2 ASN A 57 8.316 4.051 15.549 1.00 0.00 N flip ATOM 0 H ASN A 57 5.678 5.201 14.546 1.00 0.00 H new ATOM 0 HA ASN A 57 6.621 4.673 11.871 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.718 3.537 12.884 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.743 5.256 12.543 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.719 3.246 15.358 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.606 4.255 16.505 1.00 0.00 H new ATOM 857 N ILE A 58 5.430 2.670 12.322 1.00 0.00 N ATOM 858 CA ILE A 58 4.965 1.337 12.307 1.00 0.00 C ATOM 859 C ILE A 58 4.158 1.148 11.068 1.00 0.00 C ATOM 860 O ILE A 58 3.287 1.963 10.761 1.00 0.00 O ATOM 861 CB ILE A 58 4.154 0.970 13.540 1.00 0.00 C ATOM 862 CG1 ILE A 58 3.493 -0.402 13.316 1.00 0.00 C ATOM 863 CG2 ILE A 58 3.151 2.072 13.861 1.00 0.00 C ATOM 864 CD1 ILE A 58 2.941 -1.014 14.577 1.00 0.00 C ATOM 0 H ILE A 58 5.079 3.239 11.552 1.00 0.00 H new ATOM 0 HA ILE A 58 5.827 0.670 12.318 1.00 0.00 H new ATOM 0 HB ILE A 58 4.802 0.885 14.412 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.687 -0.294 12.590 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.225 -1.083 12.881 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.578 1.796 14.746 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.683 3.004 14.050 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.474 2.205 13.017 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.490 -1.979 14.346 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.747 -1.153 15.297 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.186 -0.353 15.002 1.00 0.00 H new ATOM 875 N ASP A 59 4.371 0.064 10.403 1.00 0.00 N ATOM 876 CA ASP A 59 3.537 -0.245 9.301 1.00 0.00 C ATOM 877 C ASP A 59 3.522 -1.733 9.112 1.00 0.00 C ATOM 878 O ASP A 59 4.334 -2.305 8.388 1.00 0.00 O ATOM 879 CB ASP A 59 4.048 0.450 8.041 1.00 0.00 C ATOM 880 CG ASP A 59 3.122 0.265 6.853 1.00 0.00 C ATOM 881 OD1 ASP A 59 1.978 -0.200 7.043 1.00 0.00 O ATOM 882 OD2 ASP A 59 3.531 0.600 5.725 1.00 0.00 O ATOM 0 H ASP A 59 5.107 -0.614 10.602 1.00 0.00 H new ATOM 0 HA ASP A 59 2.524 0.108 9.493 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.167 1.515 8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.035 0.061 7.791 1.00 0.00 H new ATOM 886 N VAL A 60 2.532 -2.345 9.693 1.00 0.00 N ATOM 887 CA VAL A 60 2.318 -3.758 9.504 1.00 0.00 C ATOM 888 C VAL A 60 0.821 -4.063 9.394 1.00 0.00 C ATOM 889 O VAL A 60 0.148 -4.368 10.382 1.00 0.00 O ATOM 890 CB VAL A 60 2.961 -4.596 10.643 1.00 0.00 C ATOM 891 CG1 VAL A 60 4.462 -4.375 10.708 1.00 0.00 C ATOM 892 CG2 VAL A 60 2.359 -4.285 12.011 1.00 0.00 C ATOM 0 H VAL A 60 1.855 -1.889 10.305 1.00 0.00 H new ATOM 0 HA VAL A 60 2.806 -4.042 8.572 1.00 0.00 H new ATOM 0 HB VAL A 60 2.750 -5.638 10.402 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.883 -4.975 11.515 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.915 -4.671 9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.667 -3.321 10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.845 -4.898 12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.511 -3.231 12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.291 -4.503 11.997 1.00 0.00 H new ATOM 902 N VAL A 61 0.361 -4.183 8.159 1.00 0.00 N ATOM 903 CA VAL A 61 -1.006 -4.619 7.863 1.00 0.00 C ATOM 904 C VAL A 61 -1.073 -5.020 6.404 1.00 0.00 C ATOM 905 O VAL A 61 -1.237 -4.162 5.536 1.00 0.00 O ATOM 906 CB VAL A 61 -2.092 -3.515 8.062 1.00 0.00 C ATOM 907 CG1 VAL A 61 -3.475 -4.099 7.825 1.00 0.00 C ATOM 908 CG2 VAL A 61 -2.043 -2.851 9.428 1.00 0.00 C ATOM 0 H VAL A 61 0.920 -3.982 7.330 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.218 -5.431 8.559 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.875 -2.737 7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.227 -3.322 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.538 -4.485 6.807 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.654 -4.909 8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.826 -2.095 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.197 -3.602 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.071 -2.379 9.568 1.00 0.00 H new ATOM 918 N PHE A 62 -1.048 -6.311 6.135 1.00 0.00 N ATOM 919 CA PHE A 62 -1.181 -6.796 4.772 1.00 0.00 C ATOM 920 C PHE A 62 -1.905 -8.109 4.725 1.00 0.00 C ATOM 921 O PHE A 62 -1.956 -8.863 5.696 1.00 0.00 O ATOM 922 CB PHE A 62 0.159 -6.968 4.057 1.00 0.00 C ATOM 923 CG PHE A 62 0.752 -5.698 3.535 1.00 0.00 C ATOM 924 CD1 PHE A 62 1.279 -4.786 4.408 1.00 0.00 C ATOM 925 CD2 PHE A 62 0.825 -5.439 2.177 1.00 0.00 C ATOM 926 CE1 PHE A 62 1.871 -3.630 3.970 1.00 0.00 C ATOM 927 CE2 PHE A 62 1.422 -4.280 1.715 1.00 0.00 C ATOM 928 CZ PHE A 62 1.948 -3.371 2.614 1.00 0.00 C ATOM 0 H PHE A 62 -0.937 -7.042 6.838 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.753 -6.026 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.867 -7.428 4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.026 -7.661 3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.227 -4.982 5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.413 -6.147 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.275 -2.925 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.477 -4.086 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.416 -2.465 2.259 1.00 0.00 H new ATOM 937 N GLU A 63 -2.410 -8.368 3.556 1.00 0.00 N ATOM 938 CA GLU A 63 -3.115 -9.559 3.235 1.00 0.00 C ATOM 939 C GLU A 63 -2.678 -9.884 1.857 1.00 0.00 C ATOM 940 O GLU A 63 -2.215 -8.986 1.146 1.00 0.00 O ATOM 941 CB GLU A 63 -4.613 -9.267 3.282 1.00 0.00 C ATOM 942 CG GLU A 63 -5.494 -10.496 3.393 1.00 0.00 C ATOM 943 CD GLU A 63 -5.395 -11.144 4.759 1.00 0.00 C ATOM 944 OE1 GLU A 63 -5.657 -10.452 5.767 1.00 0.00 O ATOM 945 OE2 GLU A 63 -5.050 -12.342 4.830 1.00 0.00 O ATOM 0 H GLU A 63 -2.335 -7.722 2.770 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.922 -10.384 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.816 -8.613 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.891 -8.717 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.530 -10.218 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.208 -11.218 2.628 1.00 0.00 H new ATOM 950 N LEU A 64 -2.842 -11.119 1.462 1.00 0.00 N ATOM 951 CA LEU A 64 -2.579 -11.498 0.099 1.00 0.00 C ATOM 952 C LEU A 64 -3.324 -10.521 -0.816 1.00 0.00 C ATOM 953 O LEU A 64 -2.775 -10.044 -1.801 1.00 0.00 O ATOM 954 CB LEU A 64 -3.032 -12.931 -0.107 1.00 0.00 C ATOM 955 CG LEU A 64 -2.859 -13.481 -1.527 1.00 0.00 C ATOM 956 CD1 LEU A 64 -2.698 -14.992 -1.494 1.00 0.00 C ATOM 957 CD2 LEU A 64 -4.044 -13.115 -2.412 1.00 0.00 C ATOM 0 H LEU A 64 -3.156 -11.880 2.065 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.516 -11.450 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.479 -13.571 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.085 -13.003 0.166 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.961 -13.029 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.576 -15.367 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.819 -15.251 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.583 -15.442 -1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.890 -13.520 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.957 -13.532 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.134 -12.030 -2.470 1.00 0.00 H new ATOM 968 N GLY A 65 -4.422 -9.995 -0.271 1.00 0.00 N ATOM 969 CA GLY A 65 -5.065 -8.830 -0.843 1.00 0.00 C ATOM 970 C GLY A 65 -5.656 -7.937 0.242 1.00 0.00 C ATOM 971 O GLY A 65 -6.758 -8.184 0.731 1.00 0.00 O ATOM 0 H GLY A 65 -4.878 -10.363 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.342 -8.264 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.853 -9.145 -1.527 1.00 0.00 H new ATOM 975 N VAL A 66 -4.848 -6.993 0.718 1.00 0.00 N ATOM 976 CA VAL A 66 -5.200 -6.147 1.858 1.00 0.00 C ATOM 977 C VAL A 66 -5.736 -4.788 1.406 1.00 0.00 C ATOM 978 O VAL A 66 -5.803 -4.526 0.224 1.00 0.00 O ATOM 979 CB VAL A 66 -3.972 -5.918 2.760 1.00 0.00 C ATOM 980 CG1 VAL A 66 -3.119 -4.748 2.280 1.00 0.00 C ATOM 981 CG2 VAL A 66 -4.407 -5.746 4.204 1.00 0.00 C ATOM 0 H VAL A 66 -3.929 -6.792 0.324 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.980 -6.668 2.414 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.338 -6.803 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.265 -4.623 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.765 -4.947 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.717 -3.837 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.530 -5.585 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.073 -4.887 4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.931 -6.643 4.536 1.00 0.00 H new ATOM 991 N ASP A 67 -6.215 -3.969 2.338 1.00 0.00 N ATOM 992 CA ASP A 67 -6.659 -2.622 2.003 1.00 0.00 C ATOM 993 C ASP A 67 -6.114 -1.585 2.991 1.00 0.00 C ATOM 994 O ASP A 67 -6.226 -1.722 4.209 1.00 0.00 O ATOM 995 CB ASP A 67 -8.183 -2.501 1.887 1.00 0.00 C ATOM 996 CG ASP A 67 -8.935 -2.697 3.196 1.00 0.00 C ATOM 997 OD1 ASP A 67 -8.386 -3.306 4.135 1.00 0.00 O ATOM 998 OD2 ASP A 67 -10.109 -2.276 3.275 1.00 0.00 O ATOM 0 H ASP A 67 -6.305 -4.213 3.324 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.247 -2.414 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.427 -1.517 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.539 -3.236 1.165 1.00 0.00 H new ATOM 1002 N PHE A 68 -5.598 -0.505 2.430 1.00 0.00 N ATOM 1003 CA PHE A 68 -5.171 0.655 3.182 1.00 0.00 C ATOM 1004 C PHE A 68 -6.218 1.704 2.999 1.00 0.00 C ATOM 1005 O PHE A 68 -6.817 1.782 1.935 1.00 0.00 O ATOM 1006 CB PHE A 68 -3.858 1.246 2.655 1.00 0.00 C ATOM 1007 CG PHE A 68 -2.618 0.450 2.959 1.00 0.00 C ATOM 1008 CD1 PHE A 68 -2.605 -0.931 2.857 1.00 0.00 C ATOM 1009 CD2 PHE A 68 -1.455 1.099 3.339 1.00 0.00 C ATOM 1010 CE1 PHE A 68 -1.458 -1.649 3.132 1.00 0.00 C ATOM 1011 CE2 PHE A 68 -0.305 0.387 3.614 1.00 0.00 C ATOM 1012 CZ PHE A 68 -0.307 -0.988 3.510 1.00 0.00 C ATOM 0 H PHE A 68 -5.463 -0.411 1.423 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.024 0.354 4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.939 1.359 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.737 2.246 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.502 -1.453 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.448 2.176 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.462 -2.726 3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.595 0.906 3.910 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.592 -1.547 3.724 1.00 0.00 H new ATOM 1021 N ALA A 69 -6.356 2.581 3.950 1.00 0.00 N ATOM 1022 CA ALA A 69 -7.203 3.717 3.741 1.00 0.00 C ATOM 1023 C ALA A 69 -7.031 4.767 4.832 1.00 0.00 C ATOM 1024 O ALA A 69 -7.618 4.683 5.907 1.00 0.00 O ATOM 1025 CB ALA A 69 -8.644 3.256 3.602 1.00 0.00 C ATOM 0 H ALA A 69 -5.902 2.534 4.862 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.909 4.208 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.289 4.120 3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.729 2.579 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.950 2.738 4.511 1.00 0.00 H new ATOM 1031 N TYR A 70 -6.287 5.801 4.482 1.00 0.00 N ATOM 1032 CA TYR A 70 -6.063 6.960 5.313 1.00 0.00 C ATOM 1033 C TYR A 70 -5.484 8.029 4.427 1.00 0.00 C ATOM 1034 O TYR A 70 -5.180 7.761 3.286 1.00 0.00 O ATOM 1035 CB TYR A 70 -5.144 6.646 6.491 1.00 0.00 C ATOM 1036 CG TYR A 70 -3.928 5.792 6.184 1.00 0.00 C ATOM 1037 CD1 TYR A 70 -2.883 6.277 5.406 1.00 0.00 C ATOM 1038 CD2 TYR A 70 -3.804 4.516 6.721 1.00 0.00 C ATOM 1039 CE1 TYR A 70 -1.759 5.511 5.161 1.00 0.00 C ATOM 1040 CE2 TYR A 70 -2.680 3.747 6.486 1.00 0.00 C ATOM 1041 CZ TYR A 70 -1.662 4.248 5.705 1.00 0.00 C ATOM 1042 OH TYR A 70 -0.541 3.484 5.472 1.00 0.00 O ATOM 0 H TYR A 70 -5.809 5.854 3.582 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.001 7.296 5.756 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.802 7.588 6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.731 6.142 7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.951 7.270 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.600 4.118 7.333 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -0.961 5.900 4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.600 2.758 6.913 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.804 2.632 5.065 1.00 0.00 H new ATOM 1051 N SER A 71 -5.483 9.260 4.837 1.00 0.00 N ATOM 1052 CA SER A 71 -5.128 10.279 3.899 1.00 0.00 C ATOM 1053 C SER A 71 -3.697 10.693 4.105 1.00 0.00 C ATOM 1054 O SER A 71 -3.329 11.233 5.146 1.00 0.00 O ATOM 1055 CB SER A 71 -6.077 11.462 3.989 1.00 0.00 C ATOM 1056 OG SER A 71 -5.734 12.498 3.098 1.00 0.00 O ATOM 0 H SER A 71 -5.715 9.576 5.779 1.00 0.00 H new ATOM 0 HA SER A 71 -5.221 9.875 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.092 11.126 3.777 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.075 11.848 5.008 1.00 0.00 H new ATOM 0 HG SER A 71 -6.455 13.161 3.074 1.00 0.00 H new ATOM 1061 N LEU A 72 -2.882 10.338 3.122 1.00 0.00 N ATOM 1062 CA LEU A 72 -1.449 10.620 3.153 1.00 0.00 C ATOM 1063 C LEU A 72 -1.212 12.114 3.386 1.00 0.00 C ATOM 1064 O LEU A 72 -0.222 12.509 4.000 1.00 0.00 O ATOM 1065 CB LEU A 72 -0.780 10.158 1.855 1.00 0.00 C ATOM 1066 CG LEU A 72 -0.732 8.636 1.668 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -0.099 8.264 0.333 1.00 0.00 C ATOM 1068 CD2 LEU A 72 0.027 7.986 2.817 1.00 0.00 C ATOM 0 H LEU A 72 -3.191 9.848 2.282 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.001 10.066 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.311 10.598 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.238 10.547 1.828 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.756 8.263 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.079 7.179 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.684 8.695 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.919 8.651 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.053 6.906 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.046 8.373 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.474 8.213 3.758 1.00 0.00 H new ATOM 1079 N ALA A 73 -2.203 12.919 3.010 1.00 0.00 N ATOM 1080 CA ALA A 73 -2.207 14.331 3.354 1.00 0.00 C ATOM 1081 C ALA A 73 -2.903 14.533 4.696 1.00 0.00 C ATOM 1082 O ALA A 73 -2.237 14.679 5.723 1.00 0.00 O ATOM 1083 CB ALA A 73 -2.896 15.145 2.273 1.00 0.00 C ATOM 0 H ALA A 73 -3.011 12.614 2.468 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.176 14.675 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.888 16.199 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.369 15.015 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.926 14.807 2.164 1.00 0.00 H new ATOM 1089 N ASP A 74 -4.238 14.420 4.695 1.00 0.00 N ATOM 1090 CA ASP A 74 -5.038 14.511 5.921 1.00 0.00 C ATOM 1091 C ASP A 74 -6.532 14.338 5.626 1.00 0.00 C ATOM 1092 O ASP A 74 -7.043 14.847 4.626 1.00 0.00 O ATOM 1093 CB ASP A 74 -4.788 15.841 6.655 1.00 0.00 C ATOM 1094 CG ASP A 74 -5.069 17.079 5.817 1.00 0.00 C ATOM 1095 OD1 ASP A 74 -6.253 17.419 5.612 1.00 0.00 O ATOM 1096 OD2 ASP A 74 -4.101 17.739 5.379 1.00 0.00 O ATOM 0 H ASP A 74 -4.789 14.264 3.851 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.722 13.697 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.411 15.872 7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.751 15.870 6.988 1.00 0.00 H new ATOM 1100 N GLY A 75 -7.229 13.625 6.513 1.00 0.00 N ATOM 1101 CA GLY A 75 -8.670 13.443 6.374 1.00 0.00 C ATOM 1102 C GLY A 75 -9.070 12.176 5.649 1.00 0.00 C ATOM 1103 O GLY A 75 -10.125 12.138 5.024 1.00 0.00 O ATOM 0 H GLY A 75 -6.820 13.168 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.121 13.438 7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.083 14.299 5.840 1.00 0.00 H new ATOM 1107 N THR A 76 -8.258 11.134 5.786 1.00 0.00 N ATOM 1108 CA THR A 76 -8.480 9.826 5.147 1.00 0.00 C ATOM 1109 C THR A 76 -8.848 9.905 3.660 1.00 0.00 C ATOM 1110 O THR A 76 -9.961 10.265 3.277 1.00 0.00 O ATOM 1111 CB THR A 76 -9.524 8.982 5.905 1.00 0.00 C ATOM 1112 OG1 THR A 76 -10.594 9.807 6.391 1.00 0.00 O ATOM 1113 CG2 THR A 76 -8.885 8.239 7.066 1.00 0.00 C ATOM 0 H THR A 76 -7.410 11.167 6.352 1.00 0.00 H new ATOM 0 HA THR A 76 -7.511 9.330 5.202 1.00 0.00 H new ATOM 0 HB THR A 76 -9.929 8.254 5.202 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.901 10.400 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.643 7.652 7.584 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.107 7.575 6.689 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.446 8.956 7.759 1.00 0.00 H new ATOM 1121 N GLU A 77 -7.928 9.402 2.840 1.00 0.00 N ATOM 1122 CA GLU A 77 -8.137 9.282 1.410 1.00 0.00 C ATOM 1123 C GLU A 77 -7.057 8.392 0.801 1.00 0.00 C ATOM 1124 O GLU A 77 -5.975 8.834 0.415 1.00 0.00 O ATOM 1125 CB GLU A 77 -8.154 10.689 0.857 1.00 0.00 C ATOM 1126 CG GLU A 77 -6.814 11.371 0.744 1.00 0.00 C ATOM 1127 CD GLU A 77 -6.912 12.810 0.288 1.00 0.00 C ATOM 1128 OE1 GLU A 77 -8.038 13.303 0.108 1.00 0.00 O ATOM 1129 OE2 GLU A 77 -5.857 13.432 0.077 1.00 0.00 O ATOM 0 H GLU A 77 -7.017 9.067 3.155 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.082 8.798 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.611 10.664 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.798 11.299 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.314 11.337 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.190 10.817 0.043 1.00 0.00 H new ATOM 1134 N LEU A 78 -7.353 7.103 0.729 1.00 0.00 N ATOM 1135 CA LEU A 78 -6.390 6.162 0.226 1.00 0.00 C ATOM 1136 C LEU A 78 -6.955 4.767 0.060 1.00 0.00 C ATOM 1137 O LEU A 78 -7.976 4.402 0.629 1.00 0.00 O ATOM 1138 CB LEU A 78 -5.169 6.151 1.147 1.00 0.00 C ATOM 1139 CG LEU A 78 -4.119 5.072 0.918 1.00 0.00 C ATOM 1140 CD1 LEU A 78 -3.358 5.332 -0.377 1.00 0.00 C ATOM 1141 CD2 LEU A 78 -3.159 5.000 2.093 1.00 0.00 C ATOM 0 H LEU A 78 -8.245 6.697 1.012 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.100 6.487 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.677 7.120 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.524 6.061 2.174 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.629 4.112 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.612 4.551 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.055 5.330 -1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.862 6.301 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.417 4.223 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.657 5.960 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.713 4.765 3.002 1.00 0.00 H new ATOM 1152 N THR A 79 -6.195 4.011 -0.670 1.00 0.00 N ATOM 1153 CA THR A 79 -6.406 2.613 -0.927 1.00 0.00 C ATOM 1154 C THR A 79 -5.257 1.836 -0.369 1.00 0.00 C ATOM 1155 O THR A 79 -4.127 2.320 -0.418 1.00 0.00 O ATOM 1156 CB THR A 79 -6.356 2.341 -2.433 1.00 0.00 C ATOM 1157 OG1 THR A 79 -5.166 1.615 -2.770 1.00 0.00 O ATOM 1158 CG2 THR A 79 -6.387 3.644 -3.211 1.00 0.00 C ATOM 0 H THR A 79 -5.360 4.371 -1.132 1.00 0.00 H new ATOM 0 HA THR A 79 -7.365 2.334 -0.490 1.00 0.00 H new ATOM 0 HB THR A 79 -7.229 1.745 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.099 1.530 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.351 3.431 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.305 4.184 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.527 4.254 -2.933 1.00 0.00 H new ATOM 1166 N GLY A 80 -5.440 0.544 -0.273 1.00 0.00 N ATOM 1167 CA GLY A 80 -4.267 -0.236 -0.342 1.00 0.00 C ATOM 1168 C GLY A 80 -4.495 -1.700 -0.383 1.00 0.00 C ATOM 1169 O GLY A 80 -4.272 -2.357 0.619 1.00 0.00 O ATOM 0 H GLY A 80 -6.326 0.052 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.706 0.055 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.642 -0.004 0.520 1.00 0.00 H new ATOM 1173 N THR A 81 -4.397 -2.212 -1.567 1.00 0.00 N ATOM 1174 CA THR A 81 -4.154 -3.603 -1.709 1.00 0.00 C ATOM 1175 C THR A 81 -2.789 -3.738 -2.230 1.00 0.00 C ATOM 1176 O THR A 81 -2.288 -2.844 -2.900 1.00 0.00 O ATOM 1177 CB THR A 81 -5.082 -4.341 -2.686 1.00 0.00 C ATOM 1178 OG1 THR A 81 -6.403 -3.844 -2.563 1.00 0.00 O ATOM 1179 CG2 THR A 81 -5.108 -5.828 -2.398 1.00 0.00 C ATOM 0 H THR A 81 -4.481 -1.691 -2.440 1.00 0.00 H new ATOM 0 HA THR A 81 -4.324 -4.051 -0.730 1.00 0.00 H new ATOM 0 HB THR A 81 -4.701 -4.175 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.631 -3.751 -1.614 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.773 -6.324 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.102 -6.236 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.468 -5.996 -1.383 1.00 0.00 H new ATOM 1187 N TRP A 82 -2.229 -4.860 -1.989 1.00 0.00 N ATOM 1188 CA TRP A 82 -0.991 -5.215 -2.594 1.00 0.00 C ATOM 1189 C TRP A 82 -0.991 -6.719 -2.820 1.00 0.00 C ATOM 1190 O TRP A 82 -0.971 -7.476 -1.852 1.00 0.00 O ATOM 1191 CB TRP A 82 0.171 -4.808 -1.680 1.00 0.00 C ATOM 1192 CG TRP A 82 0.188 -3.345 -1.461 1.00 0.00 C ATOM 1193 CD1 TRP A 82 -0.563 -2.640 -0.578 1.00 0.00 C ATOM 1194 CD2 TRP A 82 0.921 -2.406 -2.217 1.00 0.00 C ATOM 1195 NE1 TRP A 82 -0.370 -1.308 -0.764 1.00 0.00 N ATOM 1196 CE2 TRP A 82 0.570 -1.129 -1.758 1.00 0.00 C ATOM 1197 CE3 TRP A 82 1.843 -2.537 -3.236 1.00 0.00 C ATOM 1198 CZ2 TRP A 82 1.121 0.031 -2.313 1.00 0.00 C ATOM 1199 CZ3 TRP A 82 2.397 -1.412 -3.782 1.00 0.00 C ATOM 1200 CH2 TRP A 82 2.041 -0.140 -3.327 1.00 0.00 C ATOM 0 H TRP A 82 -2.613 -5.568 -1.363 1.00 0.00 H new ATOM 0 HA TRP A 82 -0.869 -4.698 -3.546 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.082 -5.321 -0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 82 1.115 -5.124 -2.124 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -1.218 -3.074 0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -0.843 -0.563 -0.253 1.00 0.00 H new ATOM 0 HE3 TRP A 82 2.123 -3.515 -3.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.840 1.014 -1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.121 -1.509 -4.577 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.496 0.729 -3.779 1.00 0.00 H new ATOM 1210 N THR A 83 -1.201 -7.157 -4.055 1.00 0.00 N ATOM 1211 CA THR A 83 -1.420 -8.570 -4.284 1.00 0.00 C ATOM 1212 C THR A 83 -0.412 -9.162 -5.265 1.00 0.00 C ATOM 1213 O THR A 83 -0.742 -9.410 -6.422 1.00 0.00 O ATOM 1214 CB THR A 83 -2.828 -8.779 -4.885 1.00 0.00 C ATOM 1215 OG1 THR A 83 -3.764 -7.882 -4.276 1.00 0.00 O ATOM 1216 CG2 THR A 83 -3.299 -10.213 -4.712 1.00 0.00 C ATOM 0 H THR A 83 -1.223 -6.570 -4.889 1.00 0.00 H new ATOM 0 HA THR A 83 -1.310 -9.069 -3.321 1.00 0.00 H new ATOM 0 HB THR A 83 -2.768 -8.569 -5.953 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.652 -8.022 -4.666 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.293 -10.324 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.606 -10.887 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.337 -10.458 -3.651 1.00 0.00 H new ATOM 1224 N MET A 84 0.655 -9.702 -4.735 1.00 0.00 N ATOM 1225 CA MET A 84 1.542 -10.542 -5.517 1.00 0.00 C ATOM 1226 C MET A 84 2.176 -11.586 -4.684 1.00 0.00 C ATOM 1227 O MET A 84 2.020 -11.644 -3.464 1.00 0.00 O ATOM 1228 CB MET A 84 2.659 -9.884 -6.281 1.00 0.00 C ATOM 1229 CG MET A 84 2.267 -9.462 -7.641 1.00 0.00 C ATOM 1230 SD MET A 84 1.191 -10.656 -8.490 1.00 0.00 S ATOM 1231 CE MET A 84 2.213 -12.119 -8.611 1.00 0.00 C ATOM 0 H MET A 84 0.936 -9.578 -3.762 1.00 0.00 H new ATOM 0 HA MET A 84 0.844 -10.929 -6.259 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.007 -9.014 -5.724 1.00 0.00 H new ATOM 0 HB3 MET A 84 3.499 -10.575 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.754 -8.502 -7.581 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.166 -9.307 -8.238 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.596 -12.971 -8.896 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.985 -11.962 -9.364 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.681 -12.316 -7.647 1.00 0.00 H new ATOM 1239 N GLU A 85 3.030 -12.299 -5.357 1.00 0.00 N ATOM 1240 CA GLU A 85 3.871 -13.231 -4.705 1.00 0.00 C ATOM 1241 C GLU A 85 5.183 -12.534 -4.425 1.00 0.00 C ATOM 1242 O GLU A 85 5.329 -11.360 -4.760 1.00 0.00 O ATOM 1243 CB GLU A 85 4.072 -14.462 -5.571 1.00 0.00 C ATOM 1244 CG GLU A 85 2.842 -15.352 -5.641 1.00 0.00 C ATOM 1245 CD GLU A 85 3.066 -16.600 -6.464 1.00 0.00 C ATOM 1246 OE1 GLU A 85 4.147 -16.728 -7.075 1.00 0.00 O ATOM 1247 OE2 GLU A 85 2.159 -17.456 -6.513 1.00 0.00 O ATOM 0 H GLU A 85 3.155 -12.244 -6.368 1.00 0.00 H new ATOM 0 HA GLU A 85 3.423 -13.572 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.344 -14.149 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.909 -15.040 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.548 -15.637 -4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.014 -14.786 -6.067 1.00 0.00 H new ATOM 1252 N GLY A 86 6.037 -13.129 -3.628 1.00 0.00 N ATOM 1253 CA GLY A 86 7.084 -12.325 -3.057 1.00 0.00 C ATOM 1254 C GLY A 86 8.286 -12.281 -3.945 1.00 0.00 C ATOM 1255 O GLY A 86 9.043 -13.245 -4.083 1.00 0.00 O ATOM 0 H GLY A 86 6.032 -14.116 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.717 -11.313 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.364 -12.728 -2.084 1.00 0.00 H new ATOM 1259 N ASN A 87 8.334 -11.142 -4.627 1.00 0.00 N ATOM 1260 CA ASN A 87 9.297 -10.811 -5.664 1.00 0.00 C ATOM 1261 C ASN A 87 8.692 -9.715 -6.533 1.00 0.00 C ATOM 1262 O ASN A 87 9.384 -9.083 -7.327 1.00 0.00 O ATOM 1263 CB ASN A 87 9.672 -12.016 -6.541 1.00 0.00 C ATOM 1264 CG ASN A 87 10.824 -11.711 -7.485 1.00 0.00 C ATOM 1265 OD1 ASN A 87 11.915 -11.337 -7.052 1.00 0.00 O ATOM 1266 ND2 ASN A 87 10.598 -11.877 -8.778 1.00 0.00 N ATOM 0 H ASN A 87 7.667 -10.388 -4.461 1.00 0.00 H new ATOM 0 HA ASN A 87 10.217 -10.481 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.943 -12.857 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.802 -12.324 -7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.340 -11.694 -9.453 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.681 -12.188 -9.100 1.00 0.00 H new ATOM 1272 N LYS A 88 7.381 -9.473 -6.370 1.00 0.00 N ATOM 1273 CA LYS A 88 6.705 -8.465 -7.137 1.00 0.00 C ATOM 1274 C LYS A 88 5.416 -8.132 -6.443 1.00 0.00 C ATOM 1275 O LYS A 88 5.044 -8.802 -5.490 1.00 0.00 O ATOM 1276 CB LYS A 88 6.400 -8.948 -8.558 1.00 0.00 C ATOM 1277 CG LYS A 88 5.124 -9.788 -8.689 1.00 0.00 C ATOM 1278 CD LYS A 88 5.216 -11.124 -7.954 1.00 0.00 C ATOM 1279 CE LYS A 88 6.508 -11.853 -8.311 1.00 0.00 C ATOM 1280 NZ LYS A 88 6.472 -13.305 -7.986 1.00 0.00 N ATOM 0 H LYS A 88 6.786 -9.972 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 88 7.350 -7.590 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.316 -8.080 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.245 -9.537 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.279 -9.221 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.923 -9.972 -9.744 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.174 -10.955 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.359 -11.746 -8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.704 -11.731 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.338 -11.389 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.364 -13.749 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.348 -13.428 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.679 -13.753 -8.487 1.00 0.00 H new ATOM 1290 N LEU A 89 4.886 -6.978 -6.735 1.00 0.00 N ATOM 1291 CA LEU A 89 3.685 -6.542 -6.104 1.00 0.00 C ATOM 1292 C LEU A 89 2.664 -6.159 -7.143 1.00 0.00 C ATOM 1293 O LEU A 89 2.999 -5.489 -8.115 1.00 0.00 O ATOM 1294 CB LEU A 89 3.950 -5.318 -5.246 1.00 0.00 C ATOM 1295 CG LEU A 89 4.395 -5.562 -3.834 1.00 0.00 C ATOM 1296 CD1 LEU A 89 4.391 -4.251 -3.058 1.00 0.00 C ATOM 1297 CD2 LEU A 89 3.523 -6.622 -3.156 1.00 0.00 C ATOM 0 H LEU A 89 5.275 -6.322 -7.412 1.00 0.00 H new ATOM 0 HA LEU A 89 3.316 -7.362 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.710 -4.714 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.039 -4.721 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 89 5.414 -5.950 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.715 -4.434 -2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.072 -3.545 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.383 -3.835 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.869 -6.778 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.486 -6.285 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.592 -7.558 -3.709 1.00 0.00 H new ATOM 1308 N VAL A 90 1.407 -6.424 -6.870 1.00 0.00 N ATOM 1309 CA VAL A 90 0.371 -5.847 -7.701 1.00 0.00 C ATOM 1310 C VAL A 90 -0.978 -5.977 -7.023 1.00 0.00 C ATOM 1311 O VAL A 90 -1.531 -7.047 -6.868 1.00 0.00 O ATOM 1312 CB VAL A 90 0.355 -6.465 -9.111 1.00 0.00 C ATOM 1313 CG1 VAL A 90 -0.045 -7.931 -9.084 1.00 0.00 C ATOM 1314 CG2 VAL A 90 -0.548 -5.658 -10.029 1.00 0.00 C ATOM 0 H VAL A 90 1.082 -7.015 -6.105 1.00 0.00 H new ATOM 0 HA VAL A 90 0.593 -4.787 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 90 1.370 -6.426 -9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.043 -8.327 -10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.665 -8.491 -8.475 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.044 -8.028 -8.658 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.550 -6.106 -11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.562 -5.654 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.180 -4.634 -10.093 1.00 0.00 H new ATOM 1324 N GLY A 91 -1.416 -4.895 -6.471 1.00 0.00 N ATOM 1325 CA GLY A 91 -2.549 -4.928 -5.593 1.00 0.00 C ATOM 1326 C GLY A 91 -3.017 -3.565 -5.385 1.00 0.00 C ATOM 1327 O GLY A 91 -2.243 -2.639 -5.574 1.00 0.00 O ATOM 0 H GLY A 91 -1.008 -3.971 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.343 -5.539 -6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.276 -5.384 -4.641 1.00 0.00 H new ATOM 1331 N LYS A 92 -4.298 -3.406 -5.199 1.00 0.00 N ATOM 1332 CA LYS A 92 -4.826 -2.096 -5.237 1.00 0.00 C ATOM 1333 C LYS A 92 -6.222 -1.975 -4.679 1.00 0.00 C ATOM 1334 O LYS A 92 -7.073 -2.853 -4.846 1.00 0.00 O ATOM 1335 CB LYS A 92 -4.796 -1.661 -6.662 1.00 0.00 C ATOM 1336 CG LYS A 92 -5.616 -0.439 -6.911 1.00 0.00 C ATOM 1337 CD LYS A 92 -6.884 -0.762 -7.635 1.00 0.00 C ATOM 1338 CE LYS A 92 -6.671 -0.485 -9.084 1.00 0.00 C ATOM 1339 NZ LYS A 92 -5.799 -1.497 -9.746 1.00 0.00 N ATOM 0 H LYS A 92 -4.970 -4.153 -5.025 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.216 -1.460 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.765 -1.467 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.160 -2.472 -7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.851 0.041 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.036 0.276 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.154 -1.807 -7.483 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.707 -0.160 -7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.636 -0.458 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.224 0.503 -9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.768 -1.313 -10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.838 -1.436 -9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.182 -2.449 -9.577 1.00 0.00 H new ATOM 1349 N PHE A 93 -6.466 -0.798 -4.152 1.00 0.00 N ATOM 1350 CA PHE A 93 -7.736 -0.405 -3.645 1.00 0.00 C ATOM 1351 C PHE A 93 -8.081 0.919 -4.177 1.00 0.00 C ATOM 1352 O PHE A 93 -7.307 1.527 -4.910 1.00 0.00 O ATOM 1353 CB PHE A 93 -7.782 -0.356 -2.141 1.00 0.00 C ATOM 1354 CG PHE A 93 -8.790 -1.315 -1.606 1.00 0.00 C ATOM 1355 CD1 PHE A 93 -8.821 -2.596 -2.098 1.00 0.00 C ATOM 1356 CD2 PHE A 93 -9.718 -0.938 -0.657 1.00 0.00 C ATOM 1357 CE1 PHE A 93 -9.759 -3.505 -1.653 1.00 0.00 C ATOM 1358 CE2 PHE A 93 -10.661 -1.837 -0.200 1.00 0.00 C ATOM 1359 CZ PHE A 93 -10.681 -3.126 -0.698 1.00 0.00 C ATOM 0 H PHE A 93 -5.754 -0.072 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.454 -1.159 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.798 -0.593 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -8.027 0.655 -1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.101 -2.897 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -9.707 0.069 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -9.772 -4.509 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -11.382 -1.534 0.545 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.415 -3.834 -0.342 1.00 0.00 H new ATOM 1368 N LYS A 94 -9.240 1.354 -3.813 1.00 0.00 N ATOM 1369 CA LYS A 94 -9.670 2.649 -4.124 1.00 0.00 C ATOM 1370 C LYS A 94 -9.523 3.534 -2.908 1.00 0.00 C ATOM 1371 O LYS A 94 -9.370 3.044 -1.794 1.00 0.00 O ATOM 1372 CB LYS A 94 -11.097 2.623 -4.542 1.00 0.00 C ATOM 1373 CG LYS A 94 -12.041 2.824 -3.379 1.00 0.00 C ATOM 1374 CD LYS A 94 -12.134 1.581 -2.494 1.00 0.00 C ATOM 1375 CE LYS A 94 -12.566 1.918 -1.074 1.00 0.00 C ATOM 1376 NZ LYS A 94 -11.489 2.601 -0.293 1.00 0.00 N ATOM 0 H LYS A 94 -9.915 0.802 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.063 3.040 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.269 3.401 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.315 1.669 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.704 3.670 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.032 3.075 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.844 0.878 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.165 1.082 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.447 2.559 -1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.858 1.002 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.526 2.287 0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.561 2.361 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.629 3.631 -0.336 1.00 0.00 H new ATOM 1386 N ARG A 95 -9.377 4.808 -3.154 1.00 0.00 N ATOM 1387 CA ARG A 95 -9.088 5.750 -2.080 1.00 0.00 C ATOM 1388 C ARG A 95 -10.181 5.819 -1.026 1.00 0.00 C ATOM 1389 O ARG A 95 -11.241 5.214 -1.151 1.00 0.00 O ATOM 1390 CB ARG A 95 -8.903 7.159 -2.599 1.00 0.00 C ATOM 1391 CG ARG A 95 -10.195 7.892 -2.898 1.00 0.00 C ATOM 1392 CD ARG A 95 -9.952 9.362 -2.747 1.00 0.00 C ATOM 1393 NE ARG A 95 -8.896 9.831 -3.640 1.00 0.00 N ATOM 1394 CZ ARG A 95 -7.972 10.689 -3.269 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -7.827 10.963 -1.996 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -7.148 11.232 -4.156 1.00 0.00 N ATOM 0 H ARG A 95 -9.451 5.227 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.170 5.368 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.336 7.732 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.302 7.122 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.534 7.666 -3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.982 7.566 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.873 9.906 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.679 9.581 -1.715 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.874 9.476 -4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.428 10.512 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.114 11.627 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.226 10.985 -5.143 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.436 11.896 -3.851 1.00 0.00 H new ATOM 1407 N VAL A 96 -9.958 6.734 -0.093 1.00 0.00 N ATOM 1408 CA VAL A 96 -10.955 7.039 0.944 1.00 0.00 C ATOM 1409 C VAL A 96 -11.798 8.247 0.588 1.00 0.00 C ATOM 1410 O VAL A 96 -12.982 8.280 0.907 1.00 0.00 O ATOM 1411 CB VAL A 96 -10.339 7.331 2.330 1.00 0.00 C ATOM 1412 CG1 VAL A 96 -11.434 7.483 3.379 1.00 0.00 C ATOM 1413 CG2 VAL A 96 -9.375 6.247 2.748 1.00 0.00 C ATOM 0 H VAL A 96 -9.100 7.281 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.560 6.134 0.994 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.784 8.266 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.982 7.688 4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.091 8.308 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.013 6.562 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.961 6.486 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.900 5.293 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.567 6.178 2.020 1.00 0.00 H new ATOM 1423 N ASP A 97 -11.156 9.291 0.048 1.00 0.00 N ATOM 1424 CA ASP A 97 -11.864 10.560 -0.188 1.00 0.00 C ATOM 1425 C ASP A 97 -13.155 10.303 -0.945 1.00 0.00 C ATOM 1426 O ASP A 97 -14.217 10.769 -0.537 1.00 0.00 O ATOM 1427 CB ASP A 97 -10.975 11.589 -0.904 1.00 0.00 C ATOM 1428 CG ASP A 97 -11.747 12.539 -1.805 1.00 0.00 C ATOM 1429 OD1 ASP A 97 -12.172 12.114 -2.901 1.00 0.00 O ATOM 1430 OD2 ASP A 97 -11.913 13.716 -1.431 1.00 0.00 O ATOM 0 H ASP A 97 -10.174 9.287 -0.228 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.116 10.995 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.433 12.170 -0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.230 11.061 -1.500 1.00 0.00 H new ATOM 1434 N ASN A 98 -13.108 9.335 -1.852 1.00 0.00 N ATOM 1435 CA ASN A 98 -14.338 8.785 -2.377 1.00 0.00 C ATOM 1436 C ASN A 98 -14.095 7.338 -2.733 1.00 0.00 C ATOM 1437 O ASN A 98 -14.115 6.466 -1.869 1.00 0.00 O ATOM 1438 CB ASN A 98 -14.831 9.573 -3.593 1.00 0.00 C ATOM 1439 CG ASN A 98 -16.287 9.289 -3.910 1.00 0.00 C ATOM 1440 OD1 ASN A 98 -17.176 9.575 -3.108 1.00 0.00 O ATOM 1441 ND2 ASN A 98 -16.542 8.721 -5.076 1.00 0.00 N ATOM 0 H ASN A 98 -12.252 8.927 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 98 -15.120 8.857 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.703 10.640 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.217 9.323 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -17.504 8.504 -5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.777 8.499 -5.713 1.00 0.00 H new ATOM 1447 N GLY A 99 -13.625 7.133 -3.935 1.00 0.00 N ATOM 1448 CA GLY A 99 -13.156 5.840 -4.331 1.00 0.00 C ATOM 1449 C GLY A 99 -12.424 5.915 -5.635 1.00 0.00 C ATOM 1450 O GLY A 99 -13.029 5.970 -6.703 1.00 0.00 O ATOM 0 H GLY A 99 -13.558 7.851 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.497 5.436 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.999 5.155 -4.421 1.00 0.00 H new ATOM 1454 N LYS A 100 -11.120 5.828 -5.555 1.00 0.00 N ATOM 1455 CA LYS A 100 -10.313 5.754 -6.749 1.00 0.00 C ATOM 1456 C LYS A 100 -9.313 4.681 -6.576 1.00 0.00 C ATOM 1457 O LYS A 100 -8.414 4.780 -5.743 1.00 0.00 O ATOM 1458 CB LYS A 100 -9.591 7.054 -7.061 1.00 0.00 C ATOM 1459 CG LYS A 100 -10.539 8.252 -7.142 1.00 0.00 C ATOM 1460 CD LYS A 100 -10.638 8.997 -5.827 1.00 0.00 C ATOM 1461 CE LYS A 100 -11.769 10.017 -5.809 1.00 0.00 C ATOM 1462 NZ LYS A 100 -11.658 11.025 -6.897 1.00 0.00 N ATOM 0 H LYS A 100 -10.596 5.807 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.983 5.550 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.841 7.241 -6.293 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.060 6.952 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.193 8.934 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.530 7.909 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.788 8.281 -5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.694 9.505 -5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.722 9.496 -5.899 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -11.775 10.528 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.001 11.945 -6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.664 11.113 -7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.232 10.723 -7.710 1.00 0.00 H new ATOM 1472 N GLU A 101 -9.587 3.594 -7.222 1.00 0.00 N ATOM 1473 CA GLU A 101 -8.829 2.426 -7.011 1.00 0.00 C ATOM 1474 C GLU A 101 -7.801 2.309 -8.117 1.00 0.00 C ATOM 1475 O GLU A 101 -8.147 2.121 -9.281 1.00 0.00 O ATOM 1476 CB GLU A 101 -9.744 1.190 -6.971 1.00 0.00 C ATOM 1477 CG GLU A 101 -10.387 0.857 -8.297 1.00 0.00 C ATOM 1478 CD GLU A 101 -11.502 -0.158 -8.178 1.00 0.00 C ATOM 1479 OE1 GLU A 101 -11.249 -1.267 -7.661 1.00 0.00 O ATOM 1480 OE2 GLU A 101 -12.630 0.143 -8.615 1.00 0.00 O ATOM 0 H GLU A 101 -10.339 3.501 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.318 2.484 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.163 0.331 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.527 1.354 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.781 1.770 -8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.626 0.474 -8.977 1.00 0.00 H new ATOM 1485 N LEU A 102 -6.545 2.444 -7.738 1.00 0.00 N ATOM 1486 CA LEU A 102 -5.415 2.326 -8.649 1.00 0.00 C ATOM 1487 C LEU A 102 -4.111 2.268 -7.877 1.00 0.00 C ATOM 1488 O LEU A 102 -3.810 3.154 -7.123 1.00 0.00 O ATOM 1489 CB LEU A 102 -5.395 3.458 -9.666 1.00 0.00 C ATOM 1490 CG LEU A 102 -6.220 3.182 -10.912 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -5.849 4.124 -12.040 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -6.032 1.729 -11.328 1.00 0.00 C ATOM 0 H LEU A 102 -6.273 2.642 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.530 1.394 -9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.765 4.366 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.363 3.650 -9.961 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.272 3.356 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.457 3.900 -12.916 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.027 5.153 -11.728 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.795 3.997 -12.288 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.622 1.527 -12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.979 1.544 -11.540 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.360 1.074 -10.521 1.00 0.00 H new ATOM 1503 N ILE A 103 -3.396 1.178 -8.013 1.00 0.00 N ATOM 1504 CA ILE A 103 -2.086 0.997 -7.398 1.00 0.00 C ATOM 1505 C ILE A 103 -1.505 -0.326 -7.900 1.00 0.00 C ATOM 1506 O ILE A 103 -2.219 -1.322 -7.867 1.00 0.00 O ATOM 1507 CB ILE A 103 -2.153 0.989 -5.834 1.00 0.00 C ATOM 1508 CG1 ILE A 103 -1.920 2.392 -5.259 1.00 0.00 C ATOM 1509 CG2 ILE A 103 -1.115 0.042 -5.247 1.00 0.00 C ATOM 1510 CD1 ILE A 103 -2.364 2.532 -3.821 1.00 0.00 C ATOM 0 H ILE A 103 -3.705 0.375 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.453 1.839 -7.679 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.152 0.649 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.860 2.634 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.454 3.120 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.184 0.056 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.299 -0.969 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.118 0.361 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.170 3.548 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.431 2.321 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.811 1.828 -3.199 1.00 0.00 H new ATOM 1521 N ALA A 104 -0.265 -0.384 -8.388 1.00 0.00 N ATOM 1522 CA ALA A 104 0.264 -1.688 -8.797 1.00 0.00 C ATOM 1523 C ALA A 104 1.741 -1.700 -9.129 1.00 0.00 C ATOM 1524 O ALA A 104 2.123 -1.366 -10.252 1.00 0.00 O ATOM 1525 CB ALA A 104 -0.526 -2.194 -9.972 1.00 0.00 C ATOM 0 H ALA A 104 0.364 0.410 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 104 0.157 -2.342 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.137 -3.164 -10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.574 -2.296 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.441 -1.489 -10.799 1.00 0.00 H new ATOM 1531 N VAL A 105 2.560 -2.214 -8.218 1.00 0.00 N ATOM 1532 CA VAL A 105 3.955 -2.447 -8.528 1.00 0.00 C ATOM 1533 C VAL A 105 4.602 -3.194 -7.388 1.00 0.00 C ATOM 1534 O VAL A 105 4.308 -2.864 -6.236 1.00 0.00 O ATOM 1535 CB VAL A 105 4.688 -1.112 -8.728 1.00 0.00 C ATOM 1536 CG1 VAL A 105 4.867 -0.452 -7.391 1.00 0.00 C ATOM 1537 CG2 VAL A 105 6.014 -1.296 -9.441 1.00 0.00 C ATOM 0 H VAL A 105 2.281 -2.473 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 105 4.018 -3.032 -9.446 1.00 0.00 H new ATOM 0 HB VAL A 105 4.086 -0.469 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.387 0.497 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.891 -0.273 -6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.454 -1.101 -6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.499 -0.328 -9.562 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.655 -1.952 -8.853 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.841 -1.740 -10.421 1.00 0.00 H new ATOM 1547 N ARG A 106 5.710 -3.876 -7.645 1.00 0.00 N ATOM 1548 CA ARG A 106 6.564 -4.116 -6.524 1.00 0.00 C ATOM 1549 C ARG A 106 7.672 -3.153 -6.610 1.00 0.00 C ATOM 1550 O ARG A 106 8.150 -2.780 -7.681 1.00 0.00 O ATOM 1551 CB ARG A 106 7.186 -5.508 -6.335 1.00 0.00 C ATOM 1552 CG ARG A 106 7.957 -5.658 -5.024 1.00 0.00 C ATOM 1553 CD ARG A 106 7.366 -6.788 -4.202 1.00 0.00 C ATOM 1554 NE ARG A 106 7.584 -6.700 -2.724 1.00 0.00 N ATOM 1555 CZ ARG A 106 7.257 -5.646 -1.929 1.00 0.00 C ATOM 1556 NH1 ARG A 106 7.121 -4.445 -2.426 1.00 0.00 N ATOM 1557 NH2 ARG A 106 7.135 -5.765 -0.609 1.00 0.00 N ATOM 0 H ARG A 106 6.011 -4.242 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 106 5.897 -4.017 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.396 -6.258 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.858 -5.713 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.008 -5.859 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.916 -4.726 -4.460 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.293 -6.827 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.786 -7.729 -4.557 1.00 0.00 H new ATOM 0 HE ARG A 106 8.018 -7.505 -2.271 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.260 -4.287 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.875 -3.665 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.288 -6.669 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.888 -4.952 -0.044 1.00 0.00 H new ATOM 1568 N GLU A 107 8.172 -2.923 -5.482 1.00 0.00 N ATOM 1569 CA GLU A 107 9.320 -2.151 -5.325 1.00 0.00 C ATOM 1570 C GLU A 107 10.500 -3.090 -5.249 1.00 0.00 C ATOM 1571 O GLU A 107 10.652 -3.780 -4.259 1.00 0.00 O ATOM 1572 CB GLU A 107 9.153 -1.382 -4.019 1.00 0.00 C ATOM 1573 CG GLU A 107 7.963 -1.863 -3.228 1.00 0.00 C ATOM 1574 CD GLU A 107 7.943 -1.381 -1.797 1.00 0.00 C ATOM 1575 OE1 GLU A 107 8.752 -0.496 -1.449 1.00 0.00 O ATOM 1576 OE2 GLU A 107 7.109 -1.893 -1.019 1.00 0.00 O ATOM 0 H GLU A 107 7.784 -3.277 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 107 9.478 -1.454 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.056 -1.489 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.039 -0.320 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.051 -1.532 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.952 -2.953 -3.234 1.00 0.00 H new ATOM 1581 N ILE A 108 11.238 -3.196 -6.355 1.00 0.00 N ATOM 1582 CA ILE A 108 12.399 -4.072 -6.474 1.00 0.00 C ATOM 1583 C ILE A 108 13.159 -3.724 -7.757 1.00 0.00 C ATOM 1584 O ILE A 108 12.572 -3.773 -8.839 1.00 0.00 O ATOM 1585 CB ILE A 108 12.038 -5.588 -6.570 1.00 0.00 C ATOM 1586 CG1 ILE A 108 11.321 -6.108 -5.320 1.00 0.00 C ATOM 1587 CG2 ILE A 108 13.292 -6.390 -6.839 1.00 0.00 C ATOM 1588 CD1 ILE A 108 11.263 -7.616 -5.199 1.00 0.00 C ATOM 0 H ILE A 108 11.041 -2.667 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 108 12.986 -3.913 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 108 11.338 -5.708 -7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.821 -5.706 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.303 -5.718 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.040 -7.448 -6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.738 -6.063 -7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.003 -6.237 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.737 -7.888 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.734 -8.030 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.276 -8.018 -5.168 1.00 0.00 H new ATOM 1599 N SER A 109 14.471 -3.519 -7.668 1.00 0.00 N ATOM 1600 CA SER A 109 15.288 -3.358 -8.873 1.00 0.00 C ATOM 1601 C SER A 109 16.756 -3.423 -8.493 1.00 0.00 C ATOM 1602 O SER A 109 17.248 -2.510 -7.839 1.00 0.00 O ATOM 1603 CB SER A 109 14.968 -2.026 -9.566 1.00 0.00 C ATOM 1604 OG SER A 109 15.515 -1.978 -10.873 1.00 0.00 O ATOM 0 H SER A 109 14.987 -3.461 -6.790 1.00 0.00 H new ATOM 0 HA SER A 109 15.062 -4.163 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.888 -1.891 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.365 -1.201 -8.974 1.00 0.00 H new ATOM 0 HG SER A 109 15.293 -1.119 -11.289 1.00 0.00 H new ATOM 1609 N GLY A 110 17.409 -4.558 -8.762 1.00 0.00 N ATOM 1610 CA GLY A 110 18.735 -4.787 -8.205 1.00 0.00 C ATOM 1611 C GLY A 110 18.629 -4.781 -6.701 1.00 0.00 C ATOM 1612 O GLY A 110 17.903 -5.608 -6.146 1.00 0.00 O ATOM 0 H GLY A 110 17.048 -5.312 -9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.133 -5.740 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.425 -4.013 -8.539 1.00 0.00 H new ATOM 1616 N ASN A 111 18.922 -3.623 -6.136 1.00 0.00 N ATOM 1617 CA ASN A 111 18.347 -3.304 -4.850 1.00 0.00 C ATOM 1618 C ASN A 111 18.093 -1.805 -4.761 1.00 0.00 C ATOM 1619 O ASN A 111 18.951 -1.002 -4.395 1.00 0.00 O ATOM 1620 CB ASN A 111 19.205 -3.809 -3.676 1.00 0.00 C ATOM 1621 CG ASN A 111 20.649 -3.335 -3.718 1.00 0.00 C ATOM 1622 OD1 ASN A 111 21.411 -3.695 -4.616 1.00 0.00 O ATOM 1623 ND2 ASN A 111 21.043 -2.550 -2.726 1.00 0.00 N ATOM 0 H ASN A 111 19.535 -2.911 -6.534 1.00 0.00 H new ATOM 0 HA ASN A 111 17.396 -3.829 -4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 111 18.752 -3.480 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 111 19.191 -4.899 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 111 22.008 -2.222 -2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.381 -2.274 -2.001 1.00 0.00 H new ATOM 1629 N GLU A 112 16.851 -1.490 -5.047 1.00 0.00 N ATOM 1630 CA GLU A 112 16.272 -0.167 -4.951 1.00 0.00 C ATOM 1631 C GLU A 112 14.794 -0.399 -5.155 1.00 0.00 C ATOM 1632 O GLU A 112 14.439 -1.396 -5.781 1.00 0.00 O ATOM 1633 CB GLU A 112 16.838 0.796 -6.001 1.00 0.00 C ATOM 1634 CG GLU A 112 16.444 0.456 -7.428 1.00 0.00 C ATOM 1635 CD GLU A 112 17.283 1.187 -8.452 1.00 0.00 C ATOM 1636 OE1 GLU A 112 18.526 1.086 -8.384 1.00 0.00 O ATOM 1637 OE2 GLU A 112 16.705 1.843 -9.343 1.00 0.00 O ATOM 0 H GLU A 112 16.180 -2.187 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 112 16.498 0.307 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.499 1.806 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.925 0.800 -5.926 1.00 0.00 H new ATOM 0 HG2 GLU A 112 16.543 -0.618 -7.582 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.394 0.704 -7.580 1.00 0.00 H new ATOM 1642 N LEU A 113 13.928 0.300 -4.463 1.00 0.00 N ATOM 1643 CA LEU A 113 12.562 -0.129 -4.475 1.00 0.00 C ATOM 1644 C LEU A 113 11.654 0.944 -5.029 1.00 0.00 C ATOM 1645 O LEU A 113 12.043 2.093 -5.121 1.00 0.00 O ATOM 1646 CB LEU A 113 12.185 -0.551 -3.078 1.00 0.00 C ATOM 1647 CG LEU A 113 12.204 -2.059 -2.890 1.00 0.00 C ATOM 1648 CD1 LEU A 113 13.594 -2.613 -2.642 1.00 0.00 C ATOM 1649 CD2 LEU A 113 11.237 -2.477 -1.820 1.00 0.00 C ATOM 0 H LEU A 113 14.135 1.131 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 113 12.441 -0.984 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.873 -0.093 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.189 -0.174 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 113 11.878 -2.496 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.538 -3.694 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.236 -2.379 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.009 -2.164 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.269 -3.560 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.510 -2.003 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 113 10.229 -2.172 -2.101 1.00 0.00 H new ATOM 1660 N ILE A 114 10.500 0.521 -5.518 1.00 0.00 N ATOM 1661 CA ILE A 114 9.573 1.381 -6.226 1.00 0.00 C ATOM 1662 C ILE A 114 8.167 1.120 -5.769 1.00 0.00 C ATOM 1663 O ILE A 114 7.560 0.113 -6.116 1.00 0.00 O ATOM 1664 CB ILE A 114 9.606 1.104 -7.726 1.00 0.00 C ATOM 1665 CG1 ILE A 114 11.043 1.057 -8.204 1.00 0.00 C ATOM 1666 CG2 ILE A 114 8.818 2.152 -8.490 1.00 0.00 C ATOM 1667 CD1 ILE A 114 11.798 2.363 -8.009 1.00 0.00 C ATOM 0 H ILE A 114 10.179 -0.443 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 114 9.871 2.409 -6.020 1.00 0.00 H new ATOM 0 HB ILE A 114 9.138 0.138 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.567 0.262 -7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.056 0.795 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.858 1.931 -9.557 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.781 2.142 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.249 3.136 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 114 12.819 2.251 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.299 3.158 -8.563 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.818 2.617 -6.949 1.00 0.00 H new ATOM 1678 N GLN A 115 7.610 2.093 -5.136 1.00 0.00 N ATOM 1679 CA GLN A 115 6.235 2.030 -4.740 1.00 0.00 C ATOM 1680 C GLN A 115 5.450 2.930 -5.645 1.00 0.00 C ATOM 1681 O GLN A 115 5.520 4.156 -5.551 1.00 0.00 O ATOM 1682 CB GLN A 115 6.066 2.445 -3.287 1.00 0.00 C ATOM 1683 CG GLN A 115 6.574 1.416 -2.284 1.00 0.00 C ATOM 1684 CD GLN A 115 6.475 1.930 -0.864 1.00 0.00 C ATOM 1685 OE1 GLN A 115 7.613 2.230 -0.270 1.00 0.00 O flip ATOM 1686 NE2 GLN A 115 5.388 2.099 -0.321 1.00 0.00 N flip ATOM 0 H GLN A 115 8.088 2.956 -4.876 1.00 0.00 H new ATOM 0 HA GLN A 115 5.872 1.006 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.593 3.385 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 115 5.010 2.634 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 115 5.997 0.497 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.611 1.167 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.529 1.855 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.344 2.484 0.623 1.00 0.00 H new ATOM 1693 N THR A 116 4.762 2.313 -6.561 1.00 0.00 N ATOM 1694 CA THR A 116 4.024 3.015 -7.552 1.00 0.00 C ATOM 1695 C THR A 116 2.573 3.030 -7.150 1.00 0.00 C ATOM 1696 O THR A 116 1.939 1.981 -7.044 1.00 0.00 O ATOM 1697 CB THR A 116 4.146 2.334 -8.919 1.00 0.00 C ATOM 1698 OG1 THR A 116 5.519 2.099 -9.222 1.00 0.00 O ATOM 1699 CG2 THR A 116 3.523 3.194 -9.980 1.00 0.00 C ATOM 0 H THR A 116 4.701 1.298 -6.636 1.00 0.00 H new ATOM 0 HA THR A 116 4.421 4.027 -7.631 1.00 0.00 H new ATOM 0 HB THR A 116 3.621 1.379 -8.889 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.587 1.425 -9.930 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.615 2.701 -10.948 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.469 3.349 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.032 4.157 -10.013 1.00 0.00 H new ATOM 1707 N TYR A 117 2.042 4.208 -6.943 1.00 0.00 N ATOM 1708 CA TYR A 117 0.660 4.323 -6.582 1.00 0.00 C ATOM 1709 C TYR A 117 -0.093 4.927 -7.746 1.00 0.00 C ATOM 1710 O TYR A 117 0.524 5.433 -8.680 1.00 0.00 O ATOM 1711 CB TYR A 117 0.447 5.217 -5.357 1.00 0.00 C ATOM 1712 CG TYR A 117 1.309 4.933 -4.127 1.00 0.00 C ATOM 1713 CD1 TYR A 117 2.657 5.295 -4.075 1.00 0.00 C ATOM 1714 CD2 TYR A 117 0.748 4.376 -2.984 1.00 0.00 C ATOM 1715 CE1 TYR A 117 3.414 5.095 -2.933 1.00 0.00 C ATOM 1716 CE2 TYR A 117 1.495 4.187 -1.834 1.00 0.00 C ATOM 1717 CZ TYR A 117 2.828 4.547 -1.814 1.00 0.00 C ATOM 1718 OH TYR A 117 3.563 4.383 -0.662 1.00 0.00 O ATOM 0 H TYR A 117 2.544 5.092 -7.018 1.00 0.00 H new ATOM 0 HA TYR A 117 0.298 3.325 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.619 6.250 -5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -0.599 5.141 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 117 3.119 5.740 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -0.292 4.085 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 117 4.459 5.368 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.036 3.759 -0.955 1.00 0.00 H new ATOM 0 HH TYR A 117 2.998 3.984 0.032 1.00 0.00 H new ATOM 1727 N THR A 118 -1.410 4.837 -7.696 1.00 0.00 N ATOM 1728 CA THR A 118 -2.268 5.287 -8.771 1.00 0.00 C ATOM 1729 C THR A 118 -3.622 5.727 -8.160 1.00 0.00 C ATOM 1730 O THR A 118 -3.813 5.552 -6.958 1.00 0.00 O ATOM 1731 CB THR A 118 -2.408 4.130 -9.803 1.00 0.00 C ATOM 1732 OG1 THR A 118 -1.188 3.372 -9.849 1.00 0.00 O ATOM 1733 CG2 THR A 118 -2.671 4.698 -11.193 1.00 0.00 C ATOM 0 H THR A 118 -1.915 4.446 -6.901 1.00 0.00 H new ATOM 0 HA THR A 118 -1.854 6.146 -9.300 1.00 0.00 H new ATOM 0 HB THR A 118 -3.238 3.493 -9.499 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.280 2.644 -10.498 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.767 3.881 -11.908 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.593 5.279 -11.180 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.841 5.341 -11.486 1.00 0.00 H new ATOM 1741 N TYR A 119 -4.464 6.480 -8.877 1.00 0.00 N ATOM 1742 CA TYR A 119 -5.782 6.868 -8.337 1.00 0.00 C ATOM 1743 C TYR A 119 -6.499 7.599 -9.428 1.00 0.00 C ATOM 1744 O TYR A 119 -5.951 8.570 -9.942 1.00 0.00 O ATOM 1745 CB TYR A 119 -5.689 7.711 -7.038 1.00 0.00 C ATOM 1746 CG TYR A 119 -4.934 9.025 -7.153 1.00 0.00 C ATOM 1747 CD1 TYR A 119 -5.545 10.155 -7.686 1.00 0.00 C ATOM 1748 CD2 TYR A 119 -3.603 9.127 -6.754 1.00 0.00 C ATOM 1749 CE1 TYR A 119 -4.856 11.344 -7.831 1.00 0.00 C ATOM 1750 CE2 TYR A 119 -2.913 10.322 -6.889 1.00 0.00 C ATOM 1751 CZ TYR A 119 -3.540 11.421 -7.433 1.00 0.00 C ATOM 1752 OH TYR A 119 -2.833 12.596 -7.604 1.00 0.00 O ATOM 0 H TYR A 119 -4.267 6.830 -9.815 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.332 5.975 -8.038 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.701 7.924 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.211 7.105 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.579 10.102 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -3.103 8.266 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.347 12.208 -8.254 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -1.884 10.391 -6.568 1.00 0.00 H new ATOM 0 HH TYR A 119 -2.633 12.988 -6.728 1.00 0.00 H new ATOM 1761 N GLU A 120 -7.589 7.024 -9.921 1.00 0.00 N ATOM 1762 CA GLU A 120 -8.252 7.534 -11.122 1.00 0.00 C ATOM 1763 C GLU A 120 -7.355 7.267 -12.326 1.00 0.00 C ATOM 1764 O GLU A 120 -7.574 6.310 -13.071 1.00 0.00 O ATOM 1765 CB GLU A 120 -8.543 9.032 -10.979 1.00 0.00 C ATOM 1766 CG GLU A 120 -9.097 9.397 -9.611 1.00 0.00 C ATOM 1767 CD GLU A 120 -9.038 10.881 -9.311 1.00 0.00 C ATOM 1768 OE1 GLU A 120 -8.674 11.672 -10.207 1.00 0.00 O ATOM 1769 OE2 GLU A 120 -9.373 11.268 -8.172 1.00 0.00 O ATOM 0 H GLU A 120 -8.035 6.204 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 120 -9.206 7.025 -11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.626 9.594 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.255 9.334 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -10.132 9.062 -9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.539 8.857 -8.846 1.00 0.00 H new ATOM 1774 N GLY A 121 -6.208 7.930 -12.328 1.00 0.00 N ATOM 1775 CA GLY A 121 -5.114 7.505 -13.146 1.00 0.00 C ATOM 1776 C GLY A 121 -3.881 8.340 -12.900 1.00 0.00 C ATOM 1777 O GLY A 121 -3.740 9.427 -13.462 1.00 0.00 O ATOM 0 H GLY A 121 -6.024 8.762 -11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.892 6.458 -12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.396 7.572 -14.197 1.00 0.00 H new ATOM 1781 N VAL A 122 -2.949 7.799 -12.142 1.00 0.00 N ATOM 1782 CA VAL A 122 -1.674 8.456 -11.918 1.00 0.00 C ATOM 1783 C VAL A 122 -0.703 7.482 -11.326 1.00 0.00 C ATOM 1784 O VAL A 122 -0.763 7.175 -10.142 1.00 0.00 O ATOM 1785 CB VAL A 122 -1.797 9.698 -10.998 1.00 0.00 C ATOM 1786 CG1 VAL A 122 -2.752 9.410 -9.874 1.00 0.00 C ATOM 1787 CG2 VAL A 122 -0.435 10.138 -10.447 1.00 0.00 C ATOM 0 H VAL A 122 -3.050 6.902 -11.668 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.315 8.806 -12.886 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.184 10.522 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.833 10.287 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.733 9.168 -10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.384 8.566 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.566 11.011 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.002 9.326 -9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.228 10.391 -11.275 1.00 0.00 H new ATOM 1797 N GLU A 123 0.246 7.078 -12.125 1.00 0.00 N ATOM 1798 CA GLU A 123 1.279 6.202 -11.657 1.00 0.00 C ATOM 1799 C GLU A 123 2.513 7.034 -11.381 1.00 0.00 C ATOM 1800 O GLU A 123 2.842 7.942 -12.148 1.00 0.00 O ATOM 1801 CB GLU A 123 1.565 5.117 -12.690 1.00 0.00 C ATOM 1802 CG GLU A 123 3.010 4.661 -12.703 1.00 0.00 C ATOM 1803 CD GLU A 123 3.229 3.367 -13.460 1.00 0.00 C ATOM 1804 OE1 GLU A 123 2.233 2.735 -13.876 1.00 0.00 O ATOM 1805 OE2 GLU A 123 4.401 2.962 -13.605 1.00 0.00 O ATOM 0 H GLU A 123 0.324 7.344 -13.107 1.00 0.00 H new ATOM 0 HA GLU A 123 0.965 5.701 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.923 4.259 -12.491 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.301 5.490 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.625 5.442 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.352 4.534 -11.676 1.00 0.00 H new ATOM 1810 N ALA A 124 3.071 6.850 -10.201 1.00 0.00 N ATOM 1811 CA ALA A 124 4.136 7.706 -9.726 1.00 0.00 C ATOM 1812 C ALA A 124 4.803 7.065 -8.527 1.00 0.00 C ATOM 1813 O ALA A 124 4.213 6.169 -7.917 1.00 0.00 O ATOM 1814 CB ALA A 124 3.576 9.078 -9.361 1.00 0.00 C ATOM 0 H ALA A 124 2.802 6.111 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 124 4.879 7.836 -10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.383 9.717 -9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.117 9.530 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.827 8.968 -8.577 1.00 0.00 H new ATOM 1820 N LYS A 125 6.105 7.311 -8.362 1.00 0.00 N ATOM 1821 CA LYS A 125 6.890 6.636 -7.331 1.00 0.00 C ATOM 1822 C LYS A 125 8.143 7.443 -6.981 1.00 0.00 C ATOM 1823 O LYS A 125 8.577 8.288 -7.762 1.00 0.00 O ATOM 1824 CB LYS A 125 7.290 5.219 -7.758 1.00 0.00 C ATOM 1825 CG LYS A 125 6.590 4.670 -8.999 1.00 0.00 C ATOM 1826 CD LYS A 125 6.856 5.463 -10.256 1.00 0.00 C ATOM 1827 CE LYS A 125 6.033 4.907 -11.394 1.00 0.00 C ATOM 1828 NZ LYS A 125 6.160 3.420 -11.534 1.00 0.00 N ATOM 0 H LYS A 125 6.635 7.972 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 125 6.256 6.560 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.365 5.205 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.095 4.542 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.909 3.640 -9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.516 4.647 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.609 6.512 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS A 125 7.916 5.420 -10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 125 4.985 5.164 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.342 5.382 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.574 3.095 -12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 7.154 3.172 -11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.840 2.960 -10.658 1.00 0.00 H new ATOM 1838 N ARG A 126 8.746 7.132 -5.828 1.00 0.00 N ATOM 1839 CA ARG A 126 9.968 7.790 -5.376 1.00 0.00 C ATOM 1840 C ARG A 126 10.570 6.932 -4.306 1.00 0.00 C ATOM 1841 O ARG A 126 9.980 6.771 -3.272 1.00 0.00 O ATOM 1842 CB ARG A 126 9.703 9.221 -4.831 1.00 0.00 C ATOM 1843 CG ARG A 126 10.142 9.475 -3.388 1.00 0.00 C ATOM 1844 CD ARG A 126 9.077 10.035 -2.484 1.00 0.00 C ATOM 1845 NE ARG A 126 9.367 9.676 -1.093 1.00 0.00 N ATOM 1846 CZ ARG A 126 8.503 9.685 -0.074 1.00 0.00 C ATOM 1847 NH1 ARG A 126 7.259 10.096 -0.240 1.00 0.00 N ATOM 1848 NH2 ARG A 126 8.902 9.281 1.125 1.00 0.00 N ATOM 0 H ARG A 126 8.399 6.419 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 126 10.646 7.905 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.213 9.936 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.635 9.427 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.500 8.537 -2.964 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.987 10.164 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 126 9.032 11.119 -2.588 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.100 9.647 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 126 10.323 9.391 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.945 10.413 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.612 10.096 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.862 8.967 1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 126 8.248 9.285 1.908 1.00 0.00 H new ATOM 1859 N ILE A 127 11.636 6.234 -4.606 1.00 0.00 N ATOM 1860 CA ILE A 127 12.272 5.378 -3.625 1.00 0.00 C ATOM 1861 C ILE A 127 13.615 4.922 -4.128 1.00 0.00 C ATOM 1862 O ILE A 127 13.678 4.314 -5.192 1.00 0.00 O ATOM 1863 CB ILE A 127 11.507 4.072 -3.285 1.00 0.00 C ATOM 1864 CG1 ILE A 127 10.001 4.119 -3.555 1.00 0.00 C ATOM 1865 CG2 ILE A 127 11.710 3.740 -1.827 1.00 0.00 C ATOM 1866 CD1 ILE A 127 9.289 2.956 -2.935 1.00 0.00 C ATOM 0 H ILE A 127 12.086 6.239 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 127 12.317 6.002 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 127 11.921 3.313 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.590 5.049 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.824 4.122 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.174 2.823 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.773 3.602 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.330 4.556 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.223 3.026 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 127 9.682 2.027 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 127 9.444 2.968 -1.856 1.00 0.00 H new ATOM 1877 N PHE A 128 14.581 4.857 -3.234 1.00 0.00 N ATOM 1878 CA PHE A 128 15.718 4.023 -3.514 1.00 0.00 C ATOM 1879 C PHE A 128 16.140 3.311 -2.268 1.00 0.00 C ATOM 1880 O PHE A 128 16.474 3.910 -1.253 1.00 0.00 O ATOM 1881 CB PHE A 128 16.866 4.752 -4.175 1.00 0.00 C ATOM 1882 CG PHE A 128 16.488 5.248 -5.535 1.00 0.00 C ATOM 1883 CD1 PHE A 128 16.491 4.378 -6.605 1.00 0.00 C ATOM 1884 CD2 PHE A 128 16.051 6.548 -5.726 1.00 0.00 C ATOM 1885 CE1 PHE A 128 16.084 4.796 -7.855 1.00 0.00 C ATOM 1886 CE2 PHE A 128 15.631 6.974 -6.972 1.00 0.00 C ATOM 1887 CZ PHE A 128 15.652 6.096 -8.040 1.00 0.00 C ATOM 0 H PHE A 128 14.600 5.353 -2.343 1.00 0.00 H new ATOM 0 HA PHE A 128 15.404 3.288 -4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 128 17.172 5.592 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 128 17.724 4.085 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 128 16.816 3.358 -6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 128 16.038 7.236 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 128 16.103 4.109 -8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 128 15.288 7.989 -7.111 1.00 0.00 H new ATOM 0 HZ PHE A 128 15.331 6.425 -9.017 1.00 0.00 H new ATOM 1896 N LYS A 129 15.770 2.069 -2.303 1.00 0.00 N ATOM 1897 CA LYS A 129 15.629 1.260 -1.106 1.00 0.00 C ATOM 1898 C LYS A 129 16.687 0.208 -0.924 1.00 0.00 C ATOM 1899 O LYS A 129 17.288 -0.272 -1.884 1.00 0.00 O ATOM 1900 CB LYS A 129 14.298 0.538 -1.079 1.00 0.00 C ATOM 1901 CG LYS A 129 13.113 1.368 -0.673 1.00 0.00 C ATOM 1902 CD LYS A 129 12.025 0.454 -0.154 1.00 0.00 C ATOM 1903 CE LYS A 129 10.652 1.073 -0.012 1.00 0.00 C ATOM 1904 NZ LYS A 129 10.636 2.261 0.882 1.00 0.00 N ATOM 0 H LYS A 129 15.552 1.572 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 129 15.720 1.988 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.108 0.128 -2.071 1.00 0.00 H new ATOM 0 HB3 LYS A 129 14.378 -0.307 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.401 2.085 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.747 1.943 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 129 11.948 -0.403 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.332 0.072 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 129 10.287 1.363 -0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.961 0.325 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.764 2.805 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.671 1.950 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 11.461 2.860 0.678 1.00 0.00 H new ATOM 1914 N LYS A 130 16.604 -0.342 0.280 1.00 0.00 N ATOM 1915 CA LYS A 130 17.226 -1.589 0.640 1.00 0.00 C ATOM 1916 C LYS A 130 18.742 -1.511 0.711 1.00 0.00 C ATOM 1917 O LYS A 130 19.428 -1.269 -0.287 1.00 0.00 O ATOM 1918 CB LYS A 130 16.777 -2.647 -0.335 1.00 0.00 C ATOM 1919 CG LYS A 130 16.887 -4.045 0.197 1.00 0.00 C ATOM 1920 CD LYS A 130 16.402 -5.057 -0.820 1.00 0.00 C ATOM 1921 CE LYS A 130 15.906 -6.311 -0.137 1.00 0.00 C ATOM 1922 NZ LYS A 130 16.976 -6.972 0.653 1.00 0.00 N ATOM 0 H LYS A 130 16.086 0.086 1.047 1.00 0.00 H new ATOM 0 HA LYS A 130 16.908 -1.845 1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 130 15.741 -2.455 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 130 17.372 -2.566 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 130 17.924 -4.257 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 130 16.302 -4.136 1.112 1.00 0.00 H new ATOM 0 HD2 LYS A 130 15.601 -4.623 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 130 17.212 -5.307 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 130 15.072 -6.061 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 130 15.526 -7.006 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 16.637 -7.894 0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 17.814 -7.111 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 17.227 -6.374 1.466 1.00 0.00 H new ATOM 1932 N GLU A 131 19.247 -1.818 1.890 1.00 0.00 N ATOM 1933 CA GLU A 131 20.674 -1.894 2.134 1.00 0.00 C ATOM 1934 C GLU A 131 21.282 -3.039 1.331 1.00 0.00 C ATOM 1935 O GLU A 131 22.210 -2.786 0.537 1.00 0.00 O ATOM 1936 CB GLU A 131 20.913 -2.094 3.630 1.00 0.00 C ATOM 1937 CG GLU A 131 22.372 -2.194 4.032 1.00 0.00 C ATOM 1938 CD GLU A 131 22.546 -2.197 5.536 1.00 0.00 C ATOM 1939 OE1 GLU A 131 21.966 -3.078 6.204 1.00 0.00 O ATOM 1940 OE2 GLU A 131 23.247 -1.307 6.058 1.00 0.00 O ATOM 1941 OXT GLU A 131 20.810 -4.186 1.481 1.00 0.00 O ATOM 0 H GLU A 131 18.676 -2.023 2.710 1.00 0.00 H new ATOM 0 HA GLU A 131 21.153 -0.968 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 131 20.458 -1.264 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 131 20.400 -3.002 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 131 22.801 -3.105 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 131 22.924 -1.357 3.605 1.00 0.00 H new TER 1946 GLU A 131