USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 731 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 4 ASN : amide:sc= 1.07 X(o=1.7,f=2) USER MOD Set 2.2: A 21 TYR OH : rot -172:sc= 0.678 USER MOD Set 3.1: A 14 ASN : amide:sc= -0.131 X(o=-0.27,f=-0.27) USER MOD Set 3.2: A 18 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 1 SER N :NH3+ 172:sc= -0.738 (180deg=-0.85) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -104:sc= -2.15! (180deg=-4.2!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.312 F(o=-1.1,f=-0.31) USER MOD Single : A 20 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-4.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -2.13 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= 0.14 (180deg=-0.518) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 171:sc= -2 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 115 SER OG : rot 94:sc= 0.00558 USER MOD Single : A 117 SER OG : rot 30:sc= 0.388 USER MOD Single : A 118 MET CE :methyl 156:sc= -1.26 (180deg=-2.66!) USER MOD Single : A 120 SER OG : rot -64:sc= 1.15 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 45:sc= 0.95 USER MOD Single : A 132 SER OG : rot 170:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -3.08 K(o=-3.1,f=-3.6!) USER MOD Single : A 137 GLN : amide:sc= -3.31! C(o=-3.3!,f=-3.9!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.1!) USER MOD Single : A 149 THR OG1 : rot -37:sc= 0.916 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.430 14.172 -3.985 1.00 0.00 N ATOM 2 CA SER A 1 -3.350 12.687 -3.957 1.00 0.00 C ATOM 3 C SER A 1 -1.944 12.202 -4.296 1.00 0.00 C ATOM 4 O SER A 1 -1.693 11.713 -5.398 1.00 0.00 O ATOM 5 CB SER A 1 -4.360 12.126 -4.960 1.00 0.00 C ATOM 6 OG SER A 1 -5.598 11.841 -4.333 1.00 0.00 O ATOM 0 H1 SER A 1 -4.422 14.468 -3.885 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.871 14.565 -3.201 1.00 0.00 H new ATOM 0 H3 SER A 1 -3.053 14.523 -4.889 1.00 0.00 H new ATOM 0 HA SER A 1 -3.583 12.335 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 1 -4.514 12.844 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.961 11.219 -5.413 1.00 0.00 H new ATOM 0 HG SER A 1 -6.226 11.485 -4.996 1.00 0.00 H new ATOM 14 N ILE A 2 -1.031 12.341 -3.342 1.00 0.00 N ATOM 15 CA ILE A 2 0.350 11.915 -3.537 1.00 0.00 C ATOM 16 C ILE A 2 0.466 10.398 -3.487 1.00 0.00 C ATOM 17 O ILE A 2 1.242 9.799 -4.232 1.00 0.00 O ATOM 18 CB ILE A 2 1.283 12.523 -2.472 1.00 0.00 C ATOM 19 CG1 ILE A 2 1.065 14.032 -2.370 1.00 0.00 C ATOM 20 CG2 ILE A 2 2.736 12.213 -2.799 1.00 0.00 C ATOM 21 CD1 ILE A 2 1.802 14.666 -1.212 1.00 0.00 C ATOM 0 H ILE A 2 -1.222 12.745 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 2 0.654 12.271 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 2 1.045 12.076 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.388 14.502 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.001 14.232 -2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.382 12.650 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.881 11.133 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.988 12.634 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.604 15.738 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.461 14.222 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.873 14.496 -1.326 1.00 0.00 H new ATOM 33 N LYS A 3 -0.309 9.782 -2.602 1.00 0.00 N ATOM 34 CA LYS A 3 -0.288 8.330 -2.454 1.00 0.00 C ATOM 35 C LYS A 3 -1.598 7.823 -1.859 1.00 0.00 C ATOM 36 O LYS A 3 -2.205 8.484 -1.017 1.00 0.00 O ATOM 37 CB LYS A 3 0.888 7.905 -1.572 1.00 0.00 C ATOM 38 CG LYS A 3 1.977 7.156 -2.327 1.00 0.00 C ATOM 39 CD LYS A 3 2.371 5.871 -1.615 1.00 0.00 C ATOM 40 CE LYS A 3 3.086 6.154 -0.303 1.00 0.00 C ATOM 41 NZ LYS A 3 2.145 6.626 0.751 1.00 0.00 N ATOM 0 H LYS A 3 -0.958 10.262 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.168 7.890 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.322 8.791 -1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.516 7.273 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.628 6.923 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.853 7.796 -2.434 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.480 5.273 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.018 5.279 -2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.590 5.250 0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.857 6.907 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.251 7.653 0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.168 6.411 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.358 6.144 1.648 1.00 0.00 H new ATOM 55 N ASN A 4 -2.023 6.644 -2.298 1.00 0.00 N ATOM 56 CA ASN A 4 -3.257 6.044 -1.806 1.00 0.00 C ATOM 57 C ASN A 4 -3.292 4.550 -2.109 1.00 0.00 C ATOM 58 O ASN A 4 -2.965 4.124 -3.217 1.00 0.00 O ATOM 59 CB ASN A 4 -4.471 6.733 -2.433 1.00 0.00 C ATOM 60 CG ASN A 4 -4.324 6.913 -3.932 1.00 0.00 C ATOM 61 OD1 ASN A 4 -3.708 7.872 -4.396 1.00 0.00 O ATOM 62 ND2 ASN A 4 -4.891 5.988 -4.698 1.00 0.00 N ATOM 0 H ASN A 4 -1.531 6.084 -2.994 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.292 6.179 -0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.366 6.145 -2.226 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.614 7.707 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.825 6.056 -5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.392 5.209 -4.271 1.00 0.00 H new ATOM 69 N GLY A 5 -3.690 3.760 -1.118 1.00 0.00 N ATOM 70 CA GLY A 5 -3.759 2.322 -1.300 1.00 0.00 C ATOM 71 C GLY A 5 -4.630 1.647 -0.260 1.00 0.00 C ATOM 72 O GLY A 5 -5.416 2.304 0.424 1.00 0.00 O ATOM 0 H GLY A 5 -3.966 4.089 -0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.149 2.103 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.753 1.904 -1.254 1.00 0.00 H new ATOM 76 N ILE A 6 -4.491 0.331 -0.140 1.00 0.00 N ATOM 77 CA ILE A 6 -5.272 -0.434 0.823 1.00 0.00 C ATOM 78 C ILE A 6 -4.458 -0.729 2.079 1.00 0.00 C ATOM 79 O ILE A 6 -4.025 -1.861 2.302 1.00 0.00 O ATOM 80 CB ILE A 6 -5.763 -1.764 0.218 1.00 0.00 C ATOM 81 CG1 ILE A 6 -6.403 -1.521 -1.151 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.749 -2.443 1.157 1.00 0.00 C ATOM 83 CD1 ILE A 6 -7.649 -0.664 -1.092 1.00 0.00 C ATOM 0 H ILE A 6 -3.845 -0.227 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.135 0.176 1.088 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.906 -2.424 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.673 -1.043 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.653 -2.481 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.086 -3.381 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.262 -2.646 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.606 -1.790 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.049 -0.533 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.396 -1.151 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.401 0.310 -0.671 1.00 0.00 H new ATOM 95 N LEU A 7 -4.253 0.296 2.901 1.00 0.00 N ATOM 96 CA LEU A 7 -3.492 0.146 4.135 1.00 0.00 C ATOM 97 C LEU A 7 -4.356 -0.473 5.231 1.00 0.00 C ATOM 98 O LEU A 7 -5.571 -0.291 5.255 1.00 0.00 O ATOM 99 CB LEU A 7 -2.951 1.502 4.596 1.00 0.00 C ATOM 100 CG LEU A 7 -1.434 1.663 4.486 1.00 0.00 C ATOM 101 CD1 LEU A 7 -0.727 0.733 5.460 1.00 0.00 C ATOM 102 CD2 LEU A 7 -0.970 1.400 3.062 1.00 0.00 C ATOM 0 H LEU A 7 -4.604 1.239 2.734 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.652 -0.521 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.428 2.286 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.244 1.659 5.634 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.178 2.690 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.351 0.861 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.035 0.970 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.990 -0.300 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.112 1.519 3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.239 0.384 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.450 2.108 2.386 1.00 0.00 H new ATOM 114 N TYR A 8 -3.715 -1.208 6.134 1.00 0.00 N ATOM 115 CA TYR A 8 -4.424 -1.857 7.232 1.00 0.00 C ATOM 116 C TYR A 8 -4.553 -0.920 8.428 1.00 0.00 C ATOM 117 O TYR A 8 -3.611 -0.208 8.779 1.00 0.00 O ATOM 118 CB TYR A 8 -3.697 -3.135 7.649 1.00 0.00 C ATOM 119 CG TYR A 8 -3.679 -4.200 6.576 1.00 0.00 C ATOM 120 CD1 TYR A 8 -4.817 -4.483 5.832 1.00 0.00 C ATOM 121 CD2 TYR A 8 -2.522 -4.923 6.308 1.00 0.00 C ATOM 122 CE1 TYR A 8 -4.804 -5.456 4.850 1.00 0.00 C ATOM 123 CE2 TYR A 8 -2.502 -5.897 5.327 1.00 0.00 C ATOM 124 CZ TYR A 8 -3.644 -6.160 4.602 1.00 0.00 C ATOM 125 OH TYR A 8 -3.627 -7.130 3.626 1.00 0.00 O ATOM 0 H TYR A 8 -2.708 -1.369 6.128 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.425 -2.112 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.671 -2.887 7.920 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.174 -3.539 8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.727 -3.934 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.625 -4.721 6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.697 -5.664 4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.595 -6.449 5.130 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.734 -7.530 3.578 1.00 0.00 H new ATOM 135 N LEU A 9 -5.726 -0.925 9.054 1.00 0.00 N ATOM 136 CA LEU A 9 -5.979 -0.080 10.214 1.00 0.00 C ATOM 137 C LEU A 9 -6.495 -0.907 11.385 1.00 0.00 C ATOM 138 O LEU A 9 -6.734 -2.108 11.251 1.00 0.00 O ATOM 139 CB LEU A 9 -6.988 1.015 9.863 1.00 0.00 C ATOM 140 CG LEU A 9 -6.398 2.240 9.164 1.00 0.00 C ATOM 141 CD1 LEU A 9 -5.483 3.005 10.108 1.00 0.00 C ATOM 142 CD2 LEU A 9 -5.646 1.825 7.908 1.00 0.00 C ATOM 0 H LEU A 9 -6.517 -1.506 8.776 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.038 0.385 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.758 0.586 9.222 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.481 1.341 10.779 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.216 2.898 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.073 3.873 9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.051 3.334 10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.669 2.356 10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.232 2.709 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.836 1.146 8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.330 1.322 7.224 1.00 0.00 H new ATOM 154 N GLU A 10 -6.665 -0.261 12.533 1.00 0.00 N ATOM 155 CA GLU A 10 -7.153 -0.943 13.726 1.00 0.00 C ATOM 156 C GLU A 10 -8.478 -0.350 14.194 1.00 0.00 C ATOM 157 O GLU A 10 -8.522 0.760 14.724 1.00 0.00 O ATOM 158 CB GLU A 10 -6.119 -0.849 14.851 1.00 0.00 C ATOM 159 CG GLU A 10 -4.853 -1.644 14.581 1.00 0.00 C ATOM 160 CD GLU A 10 -4.177 -2.111 15.856 1.00 0.00 C ATOM 161 OE1 GLU A 10 -4.887 -2.334 16.858 1.00 0.00 O ATOM 162 OE2 GLU A 10 -2.935 -2.255 15.852 1.00 0.00 O ATOM 0 H GLU A 10 -6.473 0.732 12.663 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.314 -1.990 13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.855 0.197 15.004 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.570 -1.203 15.778 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.096 -2.509 13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.157 -1.030 14.009 1.00 0.00 H new ATOM 169 N ASP A 11 -9.557 -1.101 13.998 1.00 0.00 N ATOM 170 CA ASP A 11 -10.884 -0.653 14.404 1.00 0.00 C ATOM 171 C ASP A 11 -11.090 -0.879 15.900 1.00 0.00 C ATOM 172 O ASP A 11 -10.572 -1.841 16.466 1.00 0.00 O ATOM 173 CB ASP A 11 -11.961 -1.391 13.608 1.00 0.00 C ATOM 174 CG ASP A 11 -12.456 -0.585 12.422 1.00 0.00 C ATOM 175 OD1 ASP A 11 -11.755 -0.556 11.389 1.00 0.00 O ATOM 176 OD2 ASP A 11 -13.546 0.018 12.528 1.00 0.00 O ATOM 0 H ASP A 11 -9.538 -2.022 13.561 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.965 0.414 14.198 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.562 -2.342 13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.801 -1.621 14.264 1.00 0.00 H new ATOM 181 N PRO A 12 -11.851 0.008 16.564 1.00 0.00 N ATOM 182 CA PRO A 12 -12.117 -0.103 18.002 1.00 0.00 C ATOM 183 C PRO A 12 -13.129 -1.197 18.332 1.00 0.00 C ATOM 184 O PRO A 12 -13.231 -1.635 19.478 1.00 0.00 O ATOM 185 CB PRO A 12 -12.681 1.272 18.358 1.00 0.00 C ATOM 186 CG PRO A 12 -13.327 1.747 17.102 1.00 0.00 C ATOM 187 CD PRO A 12 -12.504 1.190 15.970 1.00 0.00 C ATOM 0 HA PRO A 12 -11.222 -0.375 18.561 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.400 1.207 19.174 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.893 1.953 18.681 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.359 1.401 17.040 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.353 2.836 17.065 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.127 0.918 15.118 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.773 1.914 15.612 1.00 0.00 H new ATOM 195 N VAL A 13 -13.878 -1.635 17.325 1.00 0.00 N ATOM 196 CA VAL A 13 -14.881 -2.676 17.517 1.00 0.00 C ATOM 197 C VAL A 13 -14.229 -4.022 17.807 1.00 0.00 C ATOM 198 O VAL A 13 -14.663 -4.759 18.692 1.00 0.00 O ATOM 199 CB VAL A 13 -15.794 -2.814 16.284 1.00 0.00 C ATOM 200 CG1 VAL A 13 -16.954 -3.754 16.580 1.00 0.00 C ATOM 201 CG2 VAL A 13 -16.302 -1.450 15.842 1.00 0.00 C ATOM 0 H VAL A 13 -13.809 -1.286 16.369 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.485 -2.377 18.374 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.211 -3.241 15.468 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.588 -3.839 15.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.567 -4.738 16.845 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.539 -3.359 17.410 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.945 -1.566 14.970 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.869 -0.993 16.653 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.456 -0.812 15.586 1.00 0.00 H new ATOM 211 N ASN A 14 -13.185 -4.335 17.051 1.00 0.00 N ATOM 212 CA ASN A 14 -12.465 -5.593 17.220 1.00 0.00 C ATOM 213 C ASN A 14 -11.053 -5.354 17.751 1.00 0.00 C ATOM 214 O ASN A 14 -10.416 -6.270 18.272 1.00 0.00 O ATOM 215 CB ASN A 14 -12.400 -6.347 15.890 1.00 0.00 C ATOM 216 CG ASN A 14 -13.542 -7.329 15.727 1.00 0.00 C ATOM 217 OD1 ASN A 14 -13.330 -8.538 15.640 1.00 0.00 O ATOM 218 ND2 ASN A 14 -14.764 -6.812 15.682 1.00 0.00 N ATOM 0 H ASN A 14 -12.816 -3.735 16.313 1.00 0.00 H new ATOM 0 HA ASN A 14 -13.007 -6.195 17.949 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.420 -5.631 15.068 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.452 -6.882 15.824 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -15.573 -7.424 15.571 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -14.894 -5.803 15.758 1.00 0.00 H new ATOM 225 N HIS A 15 -10.568 -4.123 17.616 1.00 0.00 N ATOM 226 CA HIS A 15 -9.232 -3.768 18.081 1.00 0.00 C ATOM 227 C HIS A 15 -8.167 -4.571 17.339 1.00 0.00 C ATOM 228 O HIS A 15 -7.094 -4.845 17.878 1.00 0.00 O ATOM 229 CB HIS A 15 -9.110 -4.004 19.588 1.00 0.00 C ATOM 230 CG HIS A 15 -9.779 -2.948 20.413 1.00 0.00 C ATOM 231 ND1 HIS A 15 -9.804 -1.601 20.276 1.00 0.00 N flip ATOM 232 CD2 HIS A 15 -10.533 -3.232 21.533 1.00 0.00 C flip ATOM 233 CE1 HIS A 15 -10.565 -1.103 21.304 1.00 0.00 C flip ATOM 234 NE2 HIS A 15 -10.993 -2.106 22.048 1.00 0.00 N flip ATOM 0 H HIS A 15 -11.082 -3.353 17.187 1.00 0.00 H new ATOM 0 HA HIS A 15 -9.073 -2.709 17.875 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.543 -4.974 19.832 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.055 -4.050 19.857 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.718 -4.220 21.927 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.779 -0.059 21.476 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.579 -2.025 22.879 1.00 0.00 H new ATOM 243 N GLU A 16 -8.469 -4.944 16.098 1.00 0.00 N ATOM 244 CA GLU A 16 -7.538 -5.715 15.281 1.00 0.00 C ATOM 245 C GLU A 16 -7.383 -5.085 13.900 1.00 0.00 C ATOM 246 O GLU A 16 -8.054 -4.105 13.575 1.00 0.00 O ATOM 247 CB GLU A 16 -8.022 -7.160 15.141 1.00 0.00 C ATOM 248 CG GLU A 16 -8.444 -7.793 16.458 1.00 0.00 C ATOM 249 CD GLU A 16 -7.400 -8.740 17.013 1.00 0.00 C ATOM 250 OE1 GLU A 16 -7.389 -9.919 16.601 1.00 0.00 O ATOM 251 OE2 GLU A 16 -6.591 -8.303 17.860 1.00 0.00 O ATOM 0 H GLU A 16 -9.352 -4.724 15.637 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.568 -5.712 15.778 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.864 -7.187 14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.226 -7.759 14.698 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.640 -7.007 17.188 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.379 -8.334 16.313 1.00 0.00 H new ATOM 258 N TRP A 17 -6.497 -5.654 13.087 1.00 0.00 N ATOM 259 CA TRP A 17 -6.258 -5.145 11.741 1.00 0.00 C ATOM 260 C TRP A 17 -7.527 -5.233 10.898 1.00 0.00 C ATOM 261 O TRP A 17 -8.249 -6.228 10.948 1.00 0.00 O ATOM 262 CB TRP A 17 -5.129 -5.924 11.065 1.00 0.00 C ATOM 263 CG TRP A 17 -3.809 -5.787 11.759 1.00 0.00 C ATOM 264 CD1 TRP A 17 -2.977 -6.798 12.144 1.00 0.00 C ATOM 265 CD2 TRP A 17 -3.166 -4.566 12.151 1.00 0.00 C ATOM 266 NE1 TRP A 17 -1.857 -6.284 12.751 1.00 0.00 N ATOM 267 CE2 TRP A 17 -1.950 -4.918 12.770 1.00 0.00 C ATOM 268 CE3 TRP A 17 -3.498 -3.212 12.041 1.00 0.00 C ATOM 269 CZ2 TRP A 17 -1.067 -3.967 13.274 1.00 0.00 C ATOM 270 CZ3 TRP A 17 -2.621 -2.269 12.543 1.00 0.00 C ATOM 271 CH2 TRP A 17 -1.419 -2.649 13.154 1.00 0.00 C ATOM 0 H TRP A 17 -5.934 -6.467 13.337 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.964 -4.099 11.823 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -5.401 -6.979 11.023 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -5.027 -5.580 10.036 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.171 -7.850 11.993 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -1.082 -6.831 13.126 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.423 -2.909 11.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.138 -4.258 13.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -2.867 -1.220 12.463 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.757 -1.887 13.538 1.00 0.00 H new ATOM 282 N TYR A 18 -7.792 -4.184 10.125 1.00 0.00 N ATOM 283 CA TYR A 18 -8.975 -4.145 9.273 1.00 0.00 C ATOM 284 C TYR A 18 -8.646 -3.531 7.913 1.00 0.00 C ATOM 285 O TYR A 18 -7.873 -2.578 7.825 1.00 0.00 O ATOM 286 CB TYR A 18 -10.090 -3.344 9.950 1.00 0.00 C ATOM 287 CG TYR A 18 -11.069 -4.201 10.723 1.00 0.00 C ATOM 288 CD1 TYR A 18 -10.664 -4.912 11.846 1.00 0.00 C ATOM 289 CD2 TYR A 18 -12.398 -4.298 10.329 1.00 0.00 C ATOM 290 CE1 TYR A 18 -11.555 -5.694 12.554 1.00 0.00 C ATOM 291 CE2 TYR A 18 -13.295 -5.078 11.033 1.00 0.00 C ATOM 292 CZ TYR A 18 -12.869 -5.774 12.144 1.00 0.00 C ATOM 293 OH TYR A 18 -13.760 -6.553 12.847 1.00 0.00 O ATOM 0 H TYR A 18 -7.205 -3.352 10.071 1.00 0.00 H new ATOM 0 HA TYR A 18 -9.315 -5.169 9.117 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -9.643 -2.617 10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -10.633 -2.781 9.191 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -9.636 -4.852 12.170 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -12.735 -3.755 9.458 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.224 -6.240 13.425 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -14.325 -5.142 10.714 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.644 -6.499 12.427 1.00 0.00 H new ATOM 303 N PRO A 19 -9.235 -4.069 6.828 1.00 0.00 N ATOM 304 CA PRO A 19 -9.000 -3.565 5.472 1.00 0.00 C ATOM 305 C PRO A 19 -9.721 -2.246 5.213 1.00 0.00 C ATOM 306 O PRO A 19 -10.930 -2.140 5.412 1.00 0.00 O ATOM 307 CB PRO A 19 -9.573 -4.669 4.585 1.00 0.00 C ATOM 308 CG PRO A 19 -10.643 -5.295 5.410 1.00 0.00 C ATOM 309 CD PRO A 19 -10.175 -5.207 6.839 1.00 0.00 C ATOM 0 HA PRO A 19 -7.946 -3.354 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.974 -4.263 3.656 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.808 -5.395 4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -11.592 -4.774 5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.805 -6.332 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.006 -5.034 7.523 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.686 -6.128 7.158 1.00 0.00 H new ATOM 317 N HIS A 20 -8.969 -1.244 4.767 1.00 0.00 N ATOM 318 CA HIS A 20 -9.540 0.068 4.480 1.00 0.00 C ATOM 319 C HIS A 20 -8.732 0.791 3.408 1.00 0.00 C ATOM 320 O HIS A 20 -7.627 0.374 3.062 1.00 0.00 O ATOM 321 CB HIS A 20 -9.592 0.913 5.756 1.00 0.00 C ATOM 322 CG HIS A 20 -10.498 0.352 6.806 1.00 0.00 C ATOM 323 ND1 HIS A 20 -11.874 0.375 6.705 1.00 0.00 N ATOM 324 CD2 HIS A 20 -10.221 -0.253 7.985 1.00 0.00 C ATOM 325 CE1 HIS A 20 -12.401 -0.188 7.776 1.00 0.00 C ATOM 326 NE2 HIS A 20 -11.420 -0.578 8.568 1.00 0.00 N ATOM 0 H HIS A 20 -7.966 -1.315 4.597 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.554 -0.077 4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.586 1.001 6.165 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.923 1.920 5.502 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.239 -0.444 8.391 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.456 -0.309 7.971 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -11.534 -1.045 9.467 1.00 0.00 H new ATOM 335 N TYR A 21 -9.292 1.877 2.886 1.00 0.00 N ATOM 336 CA TYR A 21 -8.624 2.659 1.851 1.00 0.00 C ATOM 337 C TYR A 21 -8.135 3.993 2.405 1.00 0.00 C ATOM 338 O TYR A 21 -8.934 4.841 2.805 1.00 0.00 O ATOM 339 CB TYR A 21 -9.570 2.897 0.673 1.00 0.00 C ATOM 340 CG TYR A 21 -8.862 3.317 -0.596 1.00 0.00 C ATOM 341 CD1 TYR A 21 -7.754 2.617 -1.059 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.303 4.409 -1.332 1.00 0.00 C ATOM 343 CE1 TYR A 21 -7.105 2.997 -2.219 1.00 0.00 C ATOM 344 CE2 TYR A 21 -8.661 4.793 -2.494 1.00 0.00 C ATOM 345 CZ TYR A 21 -7.562 4.084 -2.932 1.00 0.00 C ATOM 346 OH TYR A 21 -6.919 4.464 -4.088 1.00 0.00 O ATOM 0 H TYR A 21 -10.206 2.236 3.162 1.00 0.00 H new ATOM 0 HA TYR A 21 -7.759 2.093 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.133 1.984 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.293 3.665 0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.395 1.763 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.162 4.967 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.244 2.444 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.018 5.643 -3.056 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.284 5.318 -4.400 1.00 0.00 H new ATOM 356 N PHE A 22 -6.818 4.174 2.426 1.00 0.00 N ATOM 357 CA PHE A 22 -6.223 5.406 2.930 1.00 0.00 C ATOM 358 C PHE A 22 -5.641 6.236 1.790 1.00 0.00 C ATOM 359 O PHE A 22 -5.063 5.694 0.847 1.00 0.00 O ATOM 360 CB PHE A 22 -5.131 5.089 3.954 1.00 0.00 C ATOM 361 CG PHE A 22 -5.603 5.172 5.378 1.00 0.00 C ATOM 362 CD1 PHE A 22 -6.776 4.549 5.768 1.00 0.00 C ATOM 363 CD2 PHE A 22 -4.873 5.871 6.323 1.00 0.00 C ATOM 364 CE1 PHE A 22 -7.213 4.623 7.077 1.00 0.00 C ATOM 365 CE2 PHE A 22 -5.304 5.950 7.633 1.00 0.00 C ATOM 366 CZ PHE A 22 -6.477 5.325 8.011 1.00 0.00 C ATOM 0 H PHE A 22 -6.143 3.483 2.100 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.008 5.987 3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.746 4.087 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.301 5.781 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.356 3.999 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.955 6.361 6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.130 4.132 7.369 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.725 6.499 8.361 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.817 5.385 9.034 1.00 0.00 H new ATOM 376 N VAL A 23 -5.798 7.553 1.884 1.00 0.00 N ATOM 377 CA VAL A 23 -5.286 8.458 0.864 1.00 0.00 C ATOM 378 C VAL A 23 -4.406 9.539 1.479 1.00 0.00 C ATOM 379 O VAL A 23 -4.619 9.955 2.618 1.00 0.00 O ATOM 380 CB VAL A 23 -6.433 9.127 0.083 1.00 0.00 C ATOM 381 CG1 VAL A 23 -5.886 9.940 -1.081 1.00 0.00 C ATOM 382 CG2 VAL A 23 -7.425 8.083 -0.407 1.00 0.00 C ATOM 0 H VAL A 23 -6.276 8.016 2.657 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.690 7.857 0.177 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.957 9.806 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.712 10.405 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.219 10.714 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.335 9.284 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.228 8.574 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.916 7.377 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.843 7.549 0.447 1.00 0.00 H new ATOM 392 N LEU A 24 -3.417 9.991 0.717 1.00 0.00 N ATOM 393 CA LEU A 24 -2.500 11.025 1.181 1.00 0.00 C ATOM 394 C LEU A 24 -2.412 12.165 0.173 1.00 0.00 C ATOM 395 O LEU A 24 -1.871 11.998 -0.922 1.00 0.00 O ATOM 396 CB LEU A 24 -1.109 10.430 1.418 1.00 0.00 C ATOM 397 CG LEU A 24 -0.188 11.264 2.312 1.00 0.00 C ATOM 398 CD1 LEU A 24 0.160 12.582 1.638 1.00 0.00 C ATOM 399 CD2 LEU A 24 -0.841 11.510 3.664 1.00 0.00 C ATOM 0 H LEU A 24 -3.229 9.656 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.884 11.423 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.225 9.442 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.622 10.289 0.453 1.00 0.00 H new ATOM 0 HG LEU A 24 0.735 10.707 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.815 13.161 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.668 12.385 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.753 13.146 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.173 12.104 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.779 12.047 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.039 10.555 4.151 1.00 0.00 H new ATOM 411 N THR A 25 -2.947 13.324 0.552 1.00 0.00 N ATOM 412 CA THR A 25 -2.930 14.494 -0.317 1.00 0.00 C ATOM 413 C THR A 25 -1.792 15.438 0.059 1.00 0.00 C ATOM 414 O THR A 25 -1.320 15.438 1.196 1.00 0.00 O ATOM 415 CB THR A 25 -4.268 15.233 -0.249 1.00 0.00 C ATOM 416 OG1 THR A 25 -4.661 15.439 1.096 1.00 0.00 O ATOM 417 CG2 THR A 25 -5.392 14.499 -0.950 1.00 0.00 C ATOM 0 H THR A 25 -3.397 13.476 1.455 1.00 0.00 H new ATOM 0 HA THR A 25 -2.769 14.150 -1.339 1.00 0.00 H new ATOM 0 HB THR A 25 -4.101 16.182 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.518 15.914 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.313 15.076 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.141 14.370 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.532 13.522 -0.488 1.00 0.00 H new ATOM 425 N SER A 26 -1.353 16.235 -0.909 1.00 0.00 N ATOM 426 CA SER A 26 -0.262 17.180 -0.698 1.00 0.00 C ATOM 427 C SER A 26 -0.591 18.204 0.387 1.00 0.00 C ATOM 428 O SER A 26 0.304 18.879 0.895 1.00 0.00 O ATOM 429 CB SER A 26 0.068 17.902 -2.004 1.00 0.00 C ATOM 430 OG SER A 26 -1.080 18.532 -2.544 1.00 0.00 O ATOM 0 H SER A 26 -1.739 16.245 -1.853 1.00 0.00 H new ATOM 0 HA SER A 26 0.603 16.607 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.844 18.646 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.469 17.190 -2.725 1.00 0.00 H new ATOM 0 HG SER A 26 -0.841 18.988 -3.378 1.00 0.00 H new ATOM 436 N SER A 27 -1.868 18.329 0.737 1.00 0.00 N ATOM 437 CA SER A 27 -2.273 19.291 1.757 1.00 0.00 C ATOM 438 C SER A 27 -3.239 18.680 2.768 1.00 0.00 C ATOM 439 O SER A 27 -4.007 19.399 3.406 1.00 0.00 O ATOM 440 CB SER A 27 -2.916 20.515 1.101 1.00 0.00 C ATOM 441 OG SER A 27 -3.566 20.165 -0.108 1.00 0.00 O ATOM 0 H SER A 27 -2.631 17.784 0.336 1.00 0.00 H new ATOM 0 HA SER A 27 -1.374 19.592 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.635 20.963 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.153 21.268 0.902 1.00 0.00 H new ATOM 0 HG SER A 27 -3.970 20.965 -0.506 1.00 0.00 H new ATOM 447 N LYS A 28 -3.200 17.357 2.923 1.00 0.00 N ATOM 448 CA LYS A 28 -4.082 16.683 3.875 1.00 0.00 C ATOM 449 C LYS A 28 -4.007 15.165 3.736 1.00 0.00 C ATOM 450 O LYS A 28 -3.223 14.637 2.947 1.00 0.00 O ATOM 451 CB LYS A 28 -5.531 17.147 3.687 1.00 0.00 C ATOM 452 CG LYS A 28 -6.067 17.948 4.862 1.00 0.00 C ATOM 453 CD LYS A 28 -7.451 18.506 4.573 1.00 0.00 C ATOM 454 CE LYS A 28 -7.378 19.935 4.057 1.00 0.00 C ATOM 455 NZ LYS A 28 -6.948 19.991 2.632 1.00 0.00 N ATOM 0 H LYS A 28 -2.575 16.737 2.408 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.743 16.950 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.596 17.754 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.166 16.275 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.107 17.314 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.384 18.767 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.952 17.877 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.054 18.476 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.354 20.408 4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.680 20.507 4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.213 20.911 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.916 19.871 2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.414 19.230 2.098 1.00 0.00 H new ATOM 469 N ILE A 29 -4.835 14.475 4.514 1.00 0.00 N ATOM 470 CA ILE A 29 -4.885 13.018 4.495 1.00 0.00 C ATOM 471 C ILE A 29 -6.312 12.526 4.716 1.00 0.00 C ATOM 472 O ILE A 29 -6.967 12.914 5.684 1.00 0.00 O ATOM 473 CB ILE A 29 -3.974 12.398 5.574 1.00 0.00 C ATOM 474 CG1 ILE A 29 -2.764 13.302 5.841 1.00 0.00 C ATOM 475 CG2 ILE A 29 -3.527 11.007 5.148 1.00 0.00 C ATOM 476 CD1 ILE A 29 -1.768 12.714 6.821 1.00 0.00 C ATOM 0 H ILE A 29 -5.485 14.906 5.171 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.530 12.704 3.514 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.540 12.309 6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.257 13.503 4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.115 14.260 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.884 10.580 5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.401 10.370 5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.975 11.073 4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.940 13.409 6.960 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.259 12.539 7.778 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.387 11.770 6.431 1.00 0.00 H new ATOM 488 N TYR A 30 -6.791 11.675 3.816 1.00 0.00 N ATOM 489 CA TYR A 30 -8.144 11.138 3.920 1.00 0.00 C ATOM 490 C TYR A 30 -8.124 9.695 4.416 1.00 0.00 C ATOM 491 O TYR A 30 -7.248 8.914 4.049 1.00 0.00 O ATOM 492 CB TYR A 30 -8.852 11.214 2.567 1.00 0.00 C ATOM 493 CG TYR A 30 -9.406 12.585 2.248 1.00 0.00 C ATOM 494 CD1 TYR A 30 -8.573 13.696 2.196 1.00 0.00 C ATOM 495 CD2 TYR A 30 -10.759 12.768 1.998 1.00 0.00 C ATOM 496 CE1 TYR A 30 -9.075 14.951 1.906 1.00 0.00 C ATOM 497 CE2 TYR A 30 -11.269 14.019 1.705 1.00 0.00 C ATOM 498 CZ TYR A 30 -10.423 15.106 1.660 1.00 0.00 C ATOM 499 OH TYR A 30 -10.926 16.353 1.368 1.00 0.00 O ATOM 0 H TYR A 30 -6.265 11.342 3.008 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.691 11.743 4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.152 10.923 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.667 10.490 2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.516 13.577 2.385 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.425 11.918 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.415 15.805 1.872 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.324 14.144 1.512 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.893 16.289 1.220 1.00 0.00 H new ATOM 509 N TYR A 31 -9.096 9.350 5.254 1.00 0.00 N ATOM 510 CA TYR A 31 -9.191 8.001 5.802 1.00 0.00 C ATOM 511 C TYR A 31 -10.620 7.688 6.236 1.00 0.00 C ATOM 512 O TYR A 31 -11.061 8.112 7.305 1.00 0.00 O ATOM 513 CB TYR A 31 -8.240 7.840 6.987 1.00 0.00 C ATOM 514 CG TYR A 31 -8.491 8.830 8.105 1.00 0.00 C ATOM 515 CD1 TYR A 31 -8.271 10.188 7.917 1.00 0.00 C ATOM 516 CD2 TYR A 31 -8.950 8.403 9.344 1.00 0.00 C ATOM 517 CE1 TYR A 31 -8.498 11.094 8.935 1.00 0.00 C ATOM 518 CE2 TYR A 31 -9.182 9.304 10.367 1.00 0.00 C ATOM 519 CZ TYR A 31 -8.955 10.647 10.157 1.00 0.00 C ATOM 520 OH TYR A 31 -9.184 11.548 11.173 1.00 0.00 O ATOM 0 H TYR A 31 -9.829 9.985 5.569 1.00 0.00 H new ATOM 0 HA TYR A 31 -8.906 7.298 5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.333 6.828 7.381 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.214 7.953 6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.917 10.542 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.129 7.351 9.511 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.318 12.147 8.775 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.539 8.957 11.325 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.504 11.071 11.967 1.00 0.00 H new ATOM 530 N SER A 32 -11.338 6.944 5.403 1.00 0.00 N ATOM 531 CA SER A 32 -12.716 6.572 5.701 1.00 0.00 C ATOM 532 C SER A 32 -13.222 5.520 4.720 1.00 0.00 C ATOM 533 O SER A 32 -12.687 5.376 3.621 1.00 0.00 O ATOM 534 CB SER A 32 -13.621 7.805 5.658 1.00 0.00 C ATOM 535 OG SER A 32 -14.893 7.526 6.216 1.00 0.00 O ATOM 0 H SER A 32 -10.988 6.586 4.514 1.00 0.00 H new ATOM 0 HA SER A 32 -12.741 6.147 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.152 8.623 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.738 8.138 4.627 1.00 0.00 H new ATOM 0 HG SER A 32 -15.451 8.331 6.178 1.00 0.00 H new ATOM 1396 N GLY A 91 -12.349 10.387 8.734 1.00 0.00 N ATOM 1397 CA GLY A 91 -12.497 11.751 8.259 1.00 0.00 C ATOM 1398 C GLY A 91 -11.241 12.272 7.588 1.00 0.00 C ATOM 1399 O GLY A 91 -10.516 11.516 6.942 1.00 0.00 O ATOM 0 HA2 GLY A 91 -13.328 11.799 7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.752 12.399 9.098 1.00 0.00 H new ATOM 1403 N VAL A 92 -10.984 13.567 7.740 1.00 0.00 N ATOM 1404 CA VAL A 92 -9.808 14.190 7.142 1.00 0.00 C ATOM 1405 C VAL A 92 -8.764 14.528 8.203 1.00 0.00 C ATOM 1406 O VAL A 92 -9.098 14.755 9.367 1.00 0.00 O ATOM 1407 CB VAL A 92 -10.181 15.472 6.372 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -10.777 16.511 7.309 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -8.967 16.033 5.646 1.00 0.00 C ATOM 0 H VAL A 92 -11.574 14.206 8.272 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.388 13.467 6.443 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.936 15.216 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.033 17.407 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.676 16.108 7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -10.050 16.764 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.251 16.938 5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.188 16.270 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.592 15.293 4.939 1.00 0.00 H new ATOM 1419 N LEU A 93 -7.500 14.562 7.793 1.00 0.00 N ATOM 1420 CA LEU A 93 -6.408 14.873 8.709 1.00 0.00 C ATOM 1421 C LEU A 93 -5.372 15.770 8.038 1.00 0.00 C ATOM 1422 O LEU A 93 -4.903 15.478 6.937 1.00 0.00 O ATOM 1423 CB LEU A 93 -5.744 13.586 9.200 1.00 0.00 C ATOM 1424 CG LEU A 93 -5.214 13.637 10.635 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -4.693 12.274 11.061 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -4.125 14.691 10.762 1.00 0.00 C ATOM 0 H LEU A 93 -7.207 14.378 6.834 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.825 15.407 9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.464 12.772 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.917 13.344 8.532 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.036 13.910 11.297 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.320 12.330 12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.500 11.543 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.884 11.970 10.397 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.759 14.714 11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.303 14.448 10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.532 15.668 10.500 1.00 0.00 H new ATOM 1438 N ASP A 94 -5.018 16.860 8.709 1.00 0.00 N ATOM 1439 CA ASP A 94 -4.036 17.800 8.179 1.00 0.00 C ATOM 1440 C ASP A 94 -2.644 17.176 8.158 1.00 0.00 C ATOM 1441 O ASP A 94 -2.268 16.442 9.071 1.00 0.00 O ATOM 1442 CB ASP A 94 -4.024 19.081 9.017 1.00 0.00 C ATOM 1443 CG ASP A 94 -4.168 20.328 8.166 1.00 0.00 C ATOM 1444 OD1 ASP A 94 -3.661 20.330 7.024 1.00 0.00 O ATOM 1445 OD2 ASP A 94 -4.786 21.304 8.643 1.00 0.00 O ATOM 0 H ASP A 94 -5.396 17.115 9.621 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.318 18.047 7.156 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.835 19.044 9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.093 19.135 9.581 1.00 0.00 H new ATOM 1450 N VAL A 95 -1.884 17.471 7.108 1.00 0.00 N ATOM 1451 CA VAL A 95 -0.535 16.937 6.966 1.00 0.00 C ATOM 1452 C VAL A 95 0.499 17.742 7.766 1.00 0.00 C ATOM 1453 O VAL A 95 1.510 17.189 8.197 1.00 0.00 O ATOM 1454 CB VAL A 95 -0.101 16.874 5.486 1.00 0.00 C ATOM 1455 CG1 VAL A 95 0.036 18.268 4.894 1.00 0.00 C ATOM 1456 CG2 VAL A 95 1.202 16.100 5.345 1.00 0.00 C ATOM 0 H VAL A 95 -2.180 18.077 6.343 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.570 15.926 7.371 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.878 16.350 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.343 18.192 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.922 18.784 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.786 18.828 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.493 16.066 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.983 16.595 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.064 15.085 5.717 1.00 0.00 H new ATOM 1466 N PRO A 96 0.276 19.058 7.981 1.00 0.00 N ATOM 1467 CA PRO A 96 1.212 19.893 8.731 1.00 0.00 C ATOM 1468 C PRO A 96 0.966 19.845 10.236 1.00 0.00 C ATOM 1469 O PRO A 96 0.927 20.881 10.901 1.00 0.00 O ATOM 1470 CB PRO A 96 0.924 21.287 8.183 1.00 0.00 C ATOM 1471 CG PRO A 96 -0.533 21.269 7.862 1.00 0.00 C ATOM 1472 CD PRO A 96 -0.891 19.840 7.520 1.00 0.00 C ATOM 0 HA PRO A 96 2.246 19.568 8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.159 22.058 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.523 21.497 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.120 21.621 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.752 21.933 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.806 19.526 8.023 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.057 19.715 6.450 1.00 0.00 H new ATOM 1480 N ALA A 97 0.803 18.638 10.767 1.00 0.00 N ATOM 1481 CA ALA A 97 0.562 18.454 12.193 1.00 0.00 C ATOM 1482 C ALA A 97 0.462 16.973 12.544 1.00 0.00 C ATOM 1483 O ALA A 97 -0.347 16.576 13.383 1.00 0.00 O ATOM 1484 CB ALA A 97 -0.704 19.183 12.617 1.00 0.00 C ATOM 0 H ALA A 97 0.834 17.771 10.230 1.00 0.00 H new ATOM 0 HA ALA A 97 1.408 18.876 12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.869 19.035 13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.597 20.248 12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.554 18.789 12.060 1.00 0.00 H new ATOM 1490 N CYS A 98 1.289 16.160 11.894 1.00 0.00 N ATOM 1491 CA CYS A 98 1.292 14.722 12.136 1.00 0.00 C ATOM 1492 C CYS A 98 2.711 14.208 12.351 1.00 0.00 C ATOM 1493 O CYS A 98 3.568 14.332 11.477 1.00 0.00 O ATOM 1494 CB CYS A 98 0.642 13.985 10.963 1.00 0.00 C ATOM 1495 SG CYS A 98 -1.117 13.635 11.194 1.00 0.00 S ATOM 0 H CYS A 98 1.965 16.472 11.197 1.00 0.00 H new ATOM 0 HA CYS A 98 0.716 14.531 13.041 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.767 14.581 10.059 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.170 13.045 10.801 1.00 0.00 H new ATOM 0 HG CYS A 98 -1.620 13.187 10.082 1.00 0.00 H new ATOM 1501 N GLN A 99 2.952 13.625 13.523 1.00 0.00 N ATOM 1502 CA GLN A 99 4.264 13.087 13.855 1.00 0.00 C ATOM 1503 C GLN A 99 4.251 11.561 13.805 1.00 0.00 C ATOM 1504 O GLN A 99 3.653 10.908 14.661 1.00 0.00 O ATOM 1505 CB GLN A 99 4.699 13.563 15.244 1.00 0.00 C ATOM 1506 CG GLN A 99 5.889 14.510 15.215 1.00 0.00 C ATOM 1507 CD GLN A 99 7.038 14.029 16.082 1.00 0.00 C ATOM 1508 OE1 GLN A 99 7.337 14.621 17.119 1.00 0.00 O ATOM 1509 NE2 GLN A 99 7.688 12.952 15.658 1.00 0.00 N ATOM 0 H GLN A 99 2.253 13.514 14.258 1.00 0.00 H new ATOM 0 HA GLN A 99 4.978 13.452 13.117 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.859 14.062 15.728 1.00 0.00 H new ATOM 0 HB3 GLN A 99 4.950 12.696 15.855 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.236 14.621 14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.572 15.497 15.553 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.405 12.494 14.792 1.00 0.00 H new ATOM 0 HE22 GLN A 99 8.470 12.583 16.198 1.00 0.00 H new ATOM 1518 N ILE A 100 4.912 11.001 12.797 1.00 0.00 N ATOM 1519 CA ILE A 100 4.974 9.553 12.636 1.00 0.00 C ATOM 1520 C ILE A 100 5.937 8.931 13.639 1.00 0.00 C ATOM 1521 O ILE A 100 6.835 9.599 14.151 1.00 0.00 O ATOM 1522 CB ILE A 100 5.413 9.161 11.212 1.00 0.00 C ATOM 1523 CG1 ILE A 100 4.700 10.027 10.170 1.00 0.00 C ATOM 1524 CG2 ILE A 100 5.135 7.686 10.960 1.00 0.00 C ATOM 1525 CD1 ILE A 100 3.194 9.928 10.231 1.00 0.00 C ATOM 0 H ILE A 100 5.412 11.527 12.080 1.00 0.00 H new ATOM 0 HA ILE A 100 3.968 9.173 12.815 1.00 0.00 H new ATOM 0 HB ILE A 100 6.486 9.332 11.122 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.994 11.067 10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.035 9.734 9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.450 7.424 9.950 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.688 7.083 11.681 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.068 7.493 11.068 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.756 10.568 9.465 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.890 8.895 10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.848 10.249 11.213 1.00 0.00 H new ATOM 1537 N ALA A 101 5.749 7.643 13.911 1.00 0.00 N ATOM 1538 CA ALA A 101 6.602 6.927 14.851 1.00 0.00 C ATOM 1539 C ALA A 101 6.634 5.436 14.533 1.00 0.00 C ATOM 1540 O ALA A 101 5.844 4.660 15.070 1.00 0.00 O ATOM 1541 CB ALA A 101 6.123 7.155 16.278 1.00 0.00 C ATOM 0 H ALA A 101 5.013 7.074 13.493 1.00 0.00 H new ATOM 0 HA ALA A 101 7.616 7.315 14.754 1.00 0.00 H new ATOM 0 HB1 ALA A 101 6.769 6.614 16.969 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.157 8.220 16.507 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.100 6.794 16.380 1.00 0.00 H new ATOM 1547 N ILE A 102 7.551 5.043 13.655 1.00 0.00 N ATOM 1548 CA ILE A 102 7.684 3.644 13.264 1.00 0.00 C ATOM 1549 C ILE A 102 7.965 2.758 14.473 1.00 0.00 C ATOM 1550 O ILE A 102 8.639 3.170 15.418 1.00 0.00 O ATOM 1551 CB ILE A 102 8.808 3.449 12.226 1.00 0.00 C ATOM 1552 CG1 ILE A 102 8.573 4.349 11.012 1.00 0.00 C ATOM 1553 CG2 ILE A 102 8.892 1.988 11.799 1.00 0.00 C ATOM 1554 CD1 ILE A 102 9.641 4.221 9.948 1.00 0.00 C ATOM 0 H ILE A 102 8.213 5.673 13.201 1.00 0.00 H new ATOM 0 HA ILE A 102 6.734 3.353 12.816 1.00 0.00 H new ATOM 0 HB ILE A 102 9.756 3.728 12.685 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.604 4.108 10.574 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.524 5.386 11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.690 1.868 11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.102 1.366 12.669 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.944 1.683 11.356 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.409 4.888 9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.609 4.490 10.370 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.675 3.192 9.589 1.00 0.00 H new ATOM 1566 N ARG A 103 7.446 1.537 14.431 1.00 0.00 N ATOM 1567 CA ARG A 103 7.635 0.582 15.515 1.00 0.00 C ATOM 1568 C ARG A 103 7.830 -0.827 14.962 1.00 0.00 C ATOM 1569 O ARG A 103 6.873 -1.463 14.522 1.00 0.00 O ATOM 1570 CB ARG A 103 6.431 0.606 16.459 1.00 0.00 C ATOM 1571 CG ARG A 103 6.235 1.938 17.164 1.00 0.00 C ATOM 1572 CD ARG A 103 4.815 2.456 16.998 1.00 0.00 C ATOM 1573 NE ARG A 103 3.975 2.130 18.147 1.00 0.00 N ATOM 1574 CZ ARG A 103 4.175 2.612 19.373 1.00 0.00 C ATOM 1575 NH1 ARG A 103 5.184 3.440 19.611 1.00 0.00 N ATOM 1576 NH2 ARG A 103 3.363 2.264 20.362 1.00 0.00 N ATOM 0 H ARG A 103 6.888 1.184 13.653 1.00 0.00 H new ATOM 0 HA ARG A 103 8.529 0.868 16.070 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.531 0.369 15.892 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.551 -0.177 17.208 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.460 1.825 18.225 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.938 2.669 16.765 1.00 0.00 H new ATOM 0 HD2 ARG A 103 4.837 3.537 16.861 1.00 0.00 H new ATOM 0 HD3 ARG A 103 4.377 2.029 16.096 1.00 0.00 H new ATOM 0 HE ARG A 103 3.189 1.496 18.003 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.811 3.711 18.854 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.332 3.806 20.551 1.00 0.00 H new ATOM 0 HH21 ARG A 103 2.586 1.628 20.184 1.00 0.00 H new ATOM 0 HH22 ARG A 103 3.516 2.633 21.301 1.00 0.00 H new ATOM 1590 N PRO A 104 9.074 -1.341 14.973 1.00 0.00 N ATOM 1591 CA PRO A 104 9.373 -2.684 14.465 1.00 0.00 C ATOM 1592 C PRO A 104 8.884 -3.785 15.405 1.00 0.00 C ATOM 1593 O PRO A 104 9.650 -4.666 15.796 1.00 0.00 O ATOM 1594 CB PRO A 104 10.900 -2.692 14.379 1.00 0.00 C ATOM 1595 CG PRO A 104 11.340 -1.729 15.426 1.00 0.00 C ATOM 1596 CD PRO A 104 10.283 -0.659 15.476 1.00 0.00 C ATOM 0 HA PRO A 104 8.875 -2.883 13.516 1.00 0.00 H new ATOM 0 HB2 PRO A 104 11.302 -3.688 14.563 1.00 0.00 H new ATOM 0 HB3 PRO A 104 11.243 -2.387 13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.441 -2.223 16.392 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.314 -1.304 15.181 1.00 0.00 H new ATOM 0 HD2 PRO A 104 10.140 -0.284 16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 104 10.549 0.196 14.855 1.00 0.00 H new ATOM 1604 N GLU A 105 7.602 -3.725 15.766 1.00 0.00 N ATOM 1605 CA GLU A 105 7.000 -4.711 16.663 1.00 0.00 C ATOM 1606 C GLU A 105 5.626 -4.235 17.133 1.00 0.00 C ATOM 1607 O GLU A 105 5.373 -4.116 18.332 1.00 0.00 O ATOM 1608 CB GLU A 105 7.912 -4.976 17.868 1.00 0.00 C ATOM 1609 CG GLU A 105 8.469 -6.389 17.907 1.00 0.00 C ATOM 1610 CD GLU A 105 9.524 -6.571 18.981 1.00 0.00 C ATOM 1611 OE1 GLU A 105 9.150 -6.735 20.161 1.00 0.00 O ATOM 1612 OE2 GLU A 105 10.727 -6.550 18.640 1.00 0.00 O ATOM 0 H GLU A 105 6.958 -3.000 15.449 1.00 0.00 H new ATOM 0 HA GLU A 105 6.877 -5.644 16.113 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.740 -4.268 17.849 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.353 -4.789 18.785 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.654 -7.092 18.081 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.899 -6.633 16.936 1.00 0.00 H new ATOM 1619 N GLY A 106 4.743 -3.956 16.179 1.00 0.00 N ATOM 1620 CA GLY A 106 3.414 -3.492 16.515 1.00 0.00 C ATOM 1621 C GLY A 106 2.593 -4.539 17.236 1.00 0.00 C ATOM 1622 O GLY A 106 2.780 -4.771 18.430 1.00 0.00 O ATOM 0 H GLY A 106 4.927 -4.044 15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.492 -2.603 17.141 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.896 -3.195 15.603 1.00 0.00 H new ATOM 1626 N LYS A 107 1.679 -5.173 16.509 1.00 0.00 N ATOM 1627 CA LYS A 107 0.817 -6.203 17.085 1.00 0.00 C ATOM 1628 C LYS A 107 0.338 -7.182 16.017 1.00 0.00 C ATOM 1629 O LYS A 107 0.716 -7.082 14.851 1.00 0.00 O ATOM 1630 CB LYS A 107 -0.397 -5.564 17.767 1.00 0.00 C ATOM 1631 CG LYS A 107 -0.045 -4.587 18.876 1.00 0.00 C ATOM 1632 CD LYS A 107 0.165 -3.182 18.336 1.00 0.00 C ATOM 1633 CE LYS A 107 1.219 -2.428 19.132 1.00 0.00 C ATOM 1634 NZ LYS A 107 0.609 -1.507 20.131 1.00 0.00 N ATOM 0 H LYS A 107 1.515 -4.993 15.519 1.00 0.00 H new ATOM 0 HA LYS A 107 1.404 -6.749 17.823 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.990 -5.044 17.015 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.025 -6.353 18.179 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.842 -4.577 19.619 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.860 -4.922 19.383 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.467 -3.235 17.290 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.777 -2.635 18.368 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.866 -3.141 19.643 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.849 -1.857 18.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.361 -1.013 20.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.011 -0.811 19.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.028 -2.054 20.798 1.00 0.00 H new ATOM 1648 N ASN A 108 -0.505 -8.125 16.428 1.00 0.00 N ATOM 1649 CA ASN A 108 -1.055 -9.125 15.516 1.00 0.00 C ATOM 1650 C ASN A 108 0.035 -9.759 14.652 1.00 0.00 C ATOM 1651 O ASN A 108 -0.155 -9.983 13.457 1.00 0.00 O ATOM 1652 CB ASN A 108 -2.132 -8.490 14.631 1.00 0.00 C ATOM 1653 CG ASN A 108 -3.529 -8.947 15.000 1.00 0.00 C ATOM 1654 OD1 ASN A 108 -4.217 -8.149 15.807 1.00 0.00 O flip ATOM 1655 ND2 ASN A 108 -3.983 -10.004 14.565 1.00 0.00 N flip ATOM 0 H ASN A 108 -0.824 -8.218 17.392 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.502 -9.917 16.116 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.074 -7.405 14.715 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.935 -8.740 13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.418 -10.586 13.947 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.925 -10.299 14.822 1.00 0.00 H new ATOM 1662 N ASN A 109 1.174 -10.053 15.269 1.00 0.00 N ATOM 1663 CA ASN A 109 2.292 -10.668 14.563 1.00 0.00 C ATOM 1664 C ASN A 109 2.806 -9.766 13.444 1.00 0.00 C ATOM 1665 O ASN A 109 3.298 -10.247 12.423 1.00 0.00 O ATOM 1666 CB ASN A 109 1.875 -12.024 13.989 1.00 0.00 C ATOM 1667 CG ASN A 109 2.934 -13.090 14.195 1.00 0.00 C ATOM 1668 OD1 ASN A 109 4.132 -12.808 14.148 1.00 0.00 O ATOM 1669 ND2 ASN A 109 2.496 -14.322 14.423 1.00 0.00 N ATOM 0 H ASN A 109 1.348 -9.875 16.258 1.00 0.00 H new ATOM 0 HA ASN A 109 3.100 -10.814 15.280 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.945 -12.344 14.459 1.00 0.00 H new ATOM 0 HB3 ASN A 109 1.673 -11.918 12.923 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.162 -15.081 14.568 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.494 -14.510 14.453 1.00 0.00 H new ATOM 1676 N ARG A 110 2.696 -8.457 13.645 1.00 0.00 N ATOM 1677 CA ARG A 110 3.160 -7.493 12.654 1.00 0.00 C ATOM 1678 C ARG A 110 4.266 -6.620 13.235 1.00 0.00 C ATOM 1679 O ARG A 110 4.011 -5.740 14.058 1.00 0.00 O ATOM 1680 CB ARG A 110 2.002 -6.614 12.171 1.00 0.00 C ATOM 1681 CG ARG A 110 0.985 -7.363 11.327 1.00 0.00 C ATOM 1682 CD ARG A 110 1.521 -7.645 9.932 1.00 0.00 C ATOM 1683 NE ARG A 110 1.423 -6.475 9.061 1.00 0.00 N ATOM 1684 CZ ARG A 110 2.150 -6.308 7.958 1.00 0.00 C ATOM 1685 NH1 ARG A 110 3.028 -7.233 7.586 1.00 0.00 N ATOM 1686 NH2 ARG A 110 1.999 -5.214 7.224 1.00 0.00 N ATOM 0 H ARG A 110 2.291 -8.040 14.483 1.00 0.00 H new ATOM 0 HA ARG A 110 3.557 -8.047 11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.498 -6.183 13.036 1.00 0.00 H new ATOM 0 HB3 ARG A 110 2.404 -5.784 11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.726 -8.302 11.815 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.068 -6.778 11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.562 -7.960 10.000 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.966 -8.473 9.491 1.00 0.00 H new ATOM 0 HE ARG A 110 0.758 -5.743 9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.148 -8.077 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.582 -7.099 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.326 -4.501 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.556 -5.086 6.379 1.00 0.00 H new ATOM 1700 N LEU A 111 5.498 -6.870 12.805 1.00 0.00 N ATOM 1701 CA LEU A 111 6.644 -6.110 13.287 1.00 0.00 C ATOM 1702 C LEU A 111 6.997 -4.980 12.326 1.00 0.00 C ATOM 1703 O LEU A 111 8.158 -4.587 12.214 1.00 0.00 O ATOM 1704 CB LEU A 111 7.852 -7.028 13.481 1.00 0.00 C ATOM 1705 CG LEU A 111 7.521 -8.443 13.962 1.00 0.00 C ATOM 1706 CD1 LEU A 111 8.690 -9.380 13.705 1.00 0.00 C ATOM 1707 CD2 LEU A 111 7.157 -8.430 15.438 1.00 0.00 C ATOM 0 H LEU A 111 5.728 -7.593 12.124 1.00 0.00 H new ATOM 0 HA LEU A 111 6.374 -5.672 14.248 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.391 -7.099 12.536 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.529 -6.566 14.200 1.00 0.00 H new ATOM 0 HG LEU A 111 6.661 -8.808 13.400 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.437 -10.381 14.053 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.904 -9.411 12.637 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.569 -9.021 14.241 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.924 -9.444 15.764 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.997 -8.046 16.017 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.288 -7.791 15.593 1.00 0.00 H new ATOM 1719 N PHE A 112 5.988 -4.460 11.641 1.00 0.00 N ATOM 1720 CA PHE A 112 6.186 -3.372 10.692 1.00 0.00 C ATOM 1721 C PHE A 112 4.981 -2.441 10.688 1.00 0.00 C ATOM 1722 O PHE A 112 4.302 -2.284 9.673 1.00 0.00 O ATOM 1723 CB PHE A 112 6.433 -3.928 9.290 1.00 0.00 C ATOM 1724 CG PHE A 112 7.834 -4.426 9.087 1.00 0.00 C ATOM 1725 CD1 PHE A 112 8.902 -3.545 9.081 1.00 0.00 C ATOM 1726 CD2 PHE A 112 8.084 -5.777 8.906 1.00 0.00 C ATOM 1727 CE1 PHE A 112 10.195 -3.999 8.898 1.00 0.00 C ATOM 1728 CE2 PHE A 112 9.374 -6.239 8.724 1.00 0.00 C ATOM 1729 CZ PHE A 112 10.431 -5.348 8.720 1.00 0.00 C ATOM 0 H PHE A 112 5.021 -4.775 11.725 1.00 0.00 H new ATOM 0 HA PHE A 112 7.062 -2.801 11.000 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.734 -4.743 9.102 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.221 -3.151 8.556 1.00 0.00 H new ATOM 0 HD1 PHE A 112 8.723 -2.489 9.221 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.261 -6.477 8.907 1.00 0.00 H new ATOM 0 HE1 PHE A 112 11.019 -3.300 8.894 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.556 -7.294 8.585 1.00 0.00 H new ATOM 0 HZ PHE A 112 11.440 -5.706 8.578 1.00 0.00 H new ATOM 1739 N VAL A 113 4.717 -1.828 11.838 1.00 0.00 N ATOM 1740 CA VAL A 113 3.591 -0.915 11.981 1.00 0.00 C ATOM 1741 C VAL A 113 4.050 0.441 12.505 1.00 0.00 C ATOM 1742 O VAL A 113 4.708 0.527 13.541 1.00 0.00 O ATOM 1743 CB VAL A 113 2.527 -1.491 12.935 1.00 0.00 C ATOM 1744 CG1 VAL A 113 1.298 -0.595 12.977 1.00 0.00 C ATOM 1745 CG2 VAL A 113 2.150 -2.907 12.524 1.00 0.00 C ATOM 0 H VAL A 113 5.270 -1.949 12.686 1.00 0.00 H new ATOM 0 HA VAL A 113 3.152 -0.788 10.991 1.00 0.00 H new ATOM 0 HB VAL A 113 2.952 -1.529 13.938 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.560 -1.021 13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.583 0.397 13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.869 -0.518 11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.398 -3.297 13.210 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.748 -2.897 11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.035 -3.543 12.557 1.00 0.00 H new ATOM 1755 N PHE A 114 3.691 1.501 11.786 1.00 0.00 N ATOM 1756 CA PHE A 114 4.063 2.852 12.186 1.00 0.00 C ATOM 1757 C PHE A 114 2.871 3.576 12.801 1.00 0.00 C ATOM 1758 O PHE A 114 1.773 3.570 12.243 1.00 0.00 O ATOM 1759 CB PHE A 114 4.597 3.639 10.986 1.00 0.00 C ATOM 1760 CG PHE A 114 3.574 3.869 9.909 1.00 0.00 C ATOM 1761 CD1 PHE A 114 2.654 4.899 10.018 1.00 0.00 C ATOM 1762 CD2 PHE A 114 3.535 3.056 8.788 1.00 0.00 C ATOM 1763 CE1 PHE A 114 1.714 5.113 9.028 1.00 0.00 C ATOM 1764 CE2 PHE A 114 2.598 3.264 7.795 1.00 0.00 C ATOM 1765 CZ PHE A 114 1.686 4.296 7.915 1.00 0.00 C ATOM 0 H PHE A 114 3.145 1.450 10.926 1.00 0.00 H new ATOM 0 HA PHE A 114 4.851 2.781 12.935 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.970 4.603 11.332 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.445 3.103 10.560 1.00 0.00 H new ATOM 0 HD1 PHE A 114 2.672 5.542 10.886 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.246 2.249 8.689 1.00 0.00 H new ATOM 0 HE1 PHE A 114 1.002 5.919 9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 114 2.578 2.622 6.927 1.00 0.00 H new ATOM 0 HZ PHE A 114 0.953 4.463 7.140 1.00 0.00 H new ATOM 1775 N SER A 115 3.093 4.193 13.956 1.00 0.00 N ATOM 1776 CA SER A 115 2.033 4.915 14.649 1.00 0.00 C ATOM 1777 C SER A 115 2.214 6.423 14.510 1.00 0.00 C ATOM 1778 O SER A 115 3.278 6.963 14.813 1.00 0.00 O ATOM 1779 CB SER A 115 2.007 4.528 16.129 1.00 0.00 C ATOM 1780 OG SER A 115 0.842 5.025 16.765 1.00 0.00 O ATOM 0 H SER A 115 3.995 4.208 14.431 1.00 0.00 H new ATOM 0 HA SER A 115 1.084 4.639 14.190 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.043 3.443 16.225 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.893 4.922 16.627 1.00 0.00 H new ATOM 0 HG SER A 115 0.143 4.339 16.749 1.00 0.00 H new ATOM 1786 N ILE A 116 1.163 7.096 14.055 1.00 0.00 N ATOM 1787 CA ILE A 116 1.197 8.542 13.882 1.00 0.00 C ATOM 1788 C ILE A 116 0.625 9.240 15.110 1.00 0.00 C ATOM 1789 O ILE A 116 -0.132 8.643 15.875 1.00 0.00 O ATOM 1790 CB ILE A 116 0.397 8.981 12.639 1.00 0.00 C ATOM 1791 CG1 ILE A 116 0.689 8.052 11.458 1.00 0.00 C ATOM 1792 CG2 ILE A 116 0.727 10.423 12.280 1.00 0.00 C ATOM 1793 CD1 ILE A 116 -0.148 8.349 10.234 1.00 0.00 C ATOM 0 H ILE A 116 0.276 6.662 13.799 1.00 0.00 H new ATOM 0 HA ILE A 116 2.241 8.826 13.747 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.666 8.917 12.870 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.744 8.133 11.195 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.515 7.021 11.766 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.155 10.719 11.401 1.00 0.00 H new ATOM 0 HG22 ILE A 116 0.471 11.074 13.116 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.792 10.510 12.066 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.112 7.652 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.204 8.240 10.480 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.044 9.369 9.901 1.00 0.00 H new ATOM 1805 N SER A 117 0.987 10.502 15.297 1.00 0.00 N ATOM 1806 CA SER A 117 0.503 11.269 16.439 1.00 0.00 C ATOM 1807 C SER A 117 0.512 12.764 16.141 1.00 0.00 C ATOM 1808 O SER A 117 1.502 13.302 15.646 1.00 0.00 O ATOM 1809 CB SER A 117 1.357 10.977 17.674 1.00 0.00 C ATOM 1810 OG SER A 117 0.862 9.857 18.386 1.00 0.00 O ATOM 0 H SER A 117 1.612 11.016 14.676 1.00 0.00 H new ATOM 0 HA SER A 117 -0.525 10.966 16.635 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.388 10.792 17.371 1.00 0.00 H new ATOM 0 HB3 SER A 117 1.368 11.850 18.326 1.00 0.00 H new ATOM 0 HG SER A 117 0.427 9.239 17.762 1.00 0.00 H new ATOM 1816 N MET A 118 -0.597 13.429 16.448 1.00 0.00 N ATOM 1817 CA MET A 118 -0.716 14.865 16.215 1.00 0.00 C ATOM 1818 C MET A 118 -0.296 15.654 17.455 1.00 0.00 C ATOM 1819 O MET A 118 -0.937 15.562 18.502 1.00 0.00 O ATOM 1820 CB MET A 118 -2.156 15.220 15.837 1.00 0.00 C ATOM 1821 CG MET A 118 -2.611 14.600 14.525 1.00 0.00 C ATOM 1822 SD MET A 118 -4.375 14.819 14.231 1.00 0.00 S ATOM 1823 CE MET A 118 -4.393 16.433 13.457 1.00 0.00 C ATOM 0 H MET A 118 -1.425 12.998 16.858 1.00 0.00 H new ATOM 0 HA MET A 118 -0.052 15.133 15.393 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.823 14.893 16.634 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.248 16.304 15.768 1.00 0.00 H new ATOM 0 HG2 MET A 118 -2.051 15.046 13.703 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.376 13.536 14.530 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.291 16.534 12.847 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.388 17.205 14.226 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.511 16.544 12.826 1.00 0.00 H new ATOM 1833 N PRO A 119 0.791 16.444 17.358 1.00 0.00 N ATOM 1834 CA PRO A 119 1.285 17.245 18.482 1.00 0.00 C ATOM 1835 C PRO A 119 0.491 18.533 18.675 1.00 0.00 C ATOM 1836 O PRO A 119 1.061 19.624 18.718 1.00 0.00 O ATOM 1837 CB PRO A 119 2.720 17.557 18.069 1.00 0.00 C ATOM 1838 CG PRO A 119 2.677 17.610 16.580 1.00 0.00 C ATOM 1839 CD PRO A 119 1.624 16.619 16.151 1.00 0.00 C ATOM 0 HA PRO A 119 1.198 16.720 19.433 1.00 0.00 H new ATOM 0 HB2 PRO A 119 3.057 18.504 18.490 1.00 0.00 H new ATOM 0 HB3 PRO A 119 3.410 16.789 18.419 1.00 0.00 H new ATOM 0 HG2 PRO A 119 2.430 18.614 16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.647 17.355 16.154 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.039 16.996 15.312 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.068 15.676 15.832 1.00 0.00 H new ATOM 1847 N SER A 120 -0.827 18.401 18.792 1.00 0.00 N ATOM 1848 CA SER A 120 -1.702 19.555 18.982 1.00 0.00 C ATOM 1849 C SER A 120 -3.164 19.120 19.025 1.00 0.00 C ATOM 1850 O SER A 120 -4.038 19.787 18.472 1.00 0.00 O ATOM 1851 CB SER A 120 -1.494 20.576 17.861 1.00 0.00 C ATOM 1852 OG SER A 120 -2.444 21.623 17.943 1.00 0.00 O ATOM 0 H SER A 120 -1.314 17.505 18.759 1.00 0.00 H new ATOM 0 HA SER A 120 -1.447 20.021 19.934 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.487 20.989 17.923 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.577 20.081 16.894 1.00 0.00 H new ATOM 0 HG SER A 120 -3.343 21.261 17.796 1.00 0.00 H new ATOM 1858 N VAL A 121 -3.422 17.995 19.683 1.00 0.00 N ATOM 1859 CA VAL A 121 -4.776 17.467 19.796 1.00 0.00 C ATOM 1860 C VAL A 121 -4.987 16.782 21.141 1.00 0.00 C ATOM 1861 O VAL A 121 -5.725 17.276 21.994 1.00 0.00 O ATOM 1862 CB VAL A 121 -5.077 16.460 18.669 1.00 0.00 C ATOM 1863 CG1 VAL A 121 -6.520 15.982 18.743 1.00 0.00 C ATOM 1864 CG2 VAL A 121 -4.781 17.075 17.310 1.00 0.00 C ATOM 0 H VAL A 121 -2.710 17.431 20.147 1.00 0.00 H new ATOM 0 HA VAL A 121 -5.457 18.314 19.712 1.00 0.00 H new ATOM 0 HB VAL A 121 -4.428 15.595 18.801 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -6.710 15.272 17.938 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.694 15.497 19.703 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.191 16.835 18.641 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.000 16.349 16.527 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.402 17.960 17.168 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.729 17.357 17.260 1.00 0.00 H new ATOM 1874 N ALA A 122 -4.340 15.637 21.317 1.00 0.00 N ATOM 1875 CA ALA A 122 -4.453 14.867 22.550 1.00 0.00 C ATOM 1876 C ALA A 122 -3.589 13.613 22.475 1.00 0.00 C ATOM 1877 O ALA A 122 -2.609 13.571 21.730 1.00 0.00 O ATOM 1878 CB ALA A 122 -5.911 14.509 22.812 1.00 0.00 C ATOM 0 H ALA A 122 -3.728 15.219 20.617 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.094 15.475 23.380 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -5.984 13.934 23.735 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -6.499 15.422 22.906 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -6.294 13.914 21.983 1.00 0.00 H new ATOM 1884 N GLN A 123 -3.950 12.591 23.243 1.00 0.00 N ATOM 1885 CA GLN A 123 -3.198 11.340 23.248 1.00 0.00 C ATOM 1886 C GLN A 123 -3.636 10.431 22.100 1.00 0.00 C ATOM 1887 O GLN A 123 -3.908 9.248 22.303 1.00 0.00 O ATOM 1888 CB GLN A 123 -3.380 10.619 24.585 1.00 0.00 C ATOM 1889 CG GLN A 123 -3.029 11.475 25.791 1.00 0.00 C ATOM 1890 CD GLN A 123 -3.691 10.988 27.065 1.00 0.00 C ATOM 1891 OE1 GLN A 123 -4.804 11.397 27.395 1.00 0.00 O ATOM 1892 NE2 GLN A 123 -3.008 10.109 27.789 1.00 0.00 N ATOM 0 H GLN A 123 -4.756 12.603 23.868 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.143 11.579 23.111 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -4.415 10.290 24.673 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -2.759 9.723 24.593 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -1.947 11.479 25.927 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -3.330 12.505 25.601 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -2.088 9.797 27.478 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -3.403 9.746 28.656 1.00 0.00 H new ATOM 1901 N TRP A 124 -3.696 10.989 20.892 1.00 0.00 N ATOM 1902 CA TRP A 124 -4.096 10.222 19.718 1.00 0.00 C ATOM 1903 C TRP A 124 -2.976 9.285 19.278 1.00 0.00 C ATOM 1904 O TRP A 124 -1.849 9.376 19.767 1.00 0.00 O ATOM 1905 CB TRP A 124 -4.468 11.162 18.570 1.00 0.00 C ATOM 1906 CG TRP A 124 -5.841 11.747 18.700 1.00 0.00 C ATOM 1907 CD1 TRP A 124 -6.338 12.444 19.764 1.00 0.00 C ATOM 1908 CD2 TRP A 124 -6.894 11.686 17.733 1.00 0.00 C ATOM 1909 NE1 TRP A 124 -7.637 12.819 19.517 1.00 0.00 N ATOM 1910 CE2 TRP A 124 -8.000 12.366 18.276 1.00 0.00 C ATOM 1911 CE3 TRP A 124 -7.008 11.123 16.458 1.00 0.00 C ATOM 1912 CZ2 TRP A 124 -9.205 12.498 17.588 1.00 0.00 C ATOM 1913 CZ3 TRP A 124 -8.205 11.254 15.778 1.00 0.00 C ATOM 1914 CH2 TRP A 124 -9.289 11.936 16.343 1.00 0.00 C ATOM 0 H TRP A 124 -3.473 11.966 20.703 1.00 0.00 H new ATOM 0 HA TRP A 124 -4.967 9.623 19.984 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -3.739 11.971 18.523 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -4.401 10.617 17.628 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -5.790 12.668 20.668 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.233 13.348 20.153 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -6.177 10.596 16.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -10.042 13.025 18.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -8.305 10.822 14.793 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -10.210 12.020 15.785 1.00 0.00 H new ATOM 1925 N SER A 125 -3.290 8.386 18.351 1.00 0.00 N ATOM 1926 CA SER A 125 -2.308 7.435 17.846 1.00 0.00 C ATOM 1927 C SER A 125 -2.839 6.703 16.618 1.00 0.00 C ATOM 1928 O SER A 125 -3.599 5.742 16.736 1.00 0.00 O ATOM 1929 CB SER A 125 -1.937 6.426 18.936 1.00 0.00 C ATOM 1930 OG SER A 125 -0.787 6.844 19.648 1.00 0.00 O ATOM 0 H SER A 125 -4.217 8.297 17.935 1.00 0.00 H new ATOM 0 HA SER A 125 -1.416 7.991 17.556 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.773 6.308 19.626 1.00 0.00 H new ATOM 0 HB3 SER A 125 -1.755 5.450 18.486 1.00 0.00 H new ATOM 0 HG SER A 125 -0.862 7.798 19.860 1.00 0.00 H new ATOM 1936 N LEU A 126 -2.437 7.167 15.439 1.00 0.00 N ATOM 1937 CA LEU A 126 -2.873 6.555 14.188 1.00 0.00 C ATOM 1938 C LEU A 126 -2.002 5.354 13.832 1.00 0.00 C ATOM 1939 O LEU A 126 -0.935 5.503 13.237 1.00 0.00 O ATOM 1940 CB LEU A 126 -2.833 7.583 13.055 1.00 0.00 C ATOM 1941 CG LEU A 126 -3.988 7.495 12.057 1.00 0.00 C ATOM 1942 CD1 LEU A 126 -5.221 8.198 12.603 1.00 0.00 C ATOM 1943 CD2 LEU A 126 -3.581 8.094 10.718 1.00 0.00 C ATOM 0 H LEU A 126 -1.811 7.964 15.323 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.897 6.207 14.321 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.826 8.582 13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.895 7.466 12.512 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.232 6.444 11.905 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.032 8.125 11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.525 7.726 13.537 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.991 9.248 12.785 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.415 8.023 10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.310 9.141 10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.726 7.547 10.320 1.00 0.00 H new ATOM 1955 N ASP A 127 -2.465 4.163 14.200 1.00 0.00 N ATOM 1956 CA ASP A 127 -1.726 2.936 13.919 1.00 0.00 C ATOM 1957 C ASP A 127 -1.968 2.469 12.487 1.00 0.00 C ATOM 1958 O ASP A 127 -3.110 2.379 12.037 1.00 0.00 O ATOM 1959 CB ASP A 127 -2.136 1.836 14.901 1.00 0.00 C ATOM 1960 CG ASP A 127 -1.492 2.007 16.263 1.00 0.00 C ATOM 1961 OD1 ASP A 127 -1.797 3.009 16.942 1.00 0.00 O ATOM 1962 OD2 ASP A 127 -0.681 1.139 16.650 1.00 0.00 O ATOM 0 H ASP A 127 -3.347 4.021 14.693 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.663 3.146 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -3.220 1.838 15.012 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -1.859 0.865 14.491 1.00 0.00 H new ATOM 1967 N VAL A 128 -0.884 2.173 11.776 1.00 0.00 N ATOM 1968 CA VAL A 128 -0.978 1.715 10.394 1.00 0.00 C ATOM 1969 C VAL A 128 0.208 0.829 10.026 1.00 0.00 C ATOM 1970 O VAL A 128 1.256 0.878 10.671 1.00 0.00 O ATOM 1971 CB VAL A 128 -1.040 2.901 9.413 1.00 0.00 C ATOM 1972 CG1 VAL A 128 -1.332 2.413 8.003 1.00 0.00 C ATOM 1973 CG2 VAL A 128 -2.084 3.911 9.863 1.00 0.00 C ATOM 0 H VAL A 128 0.069 2.242 12.134 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.899 1.137 10.315 1.00 0.00 H new ATOM 0 HB VAL A 128 -0.069 3.395 9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.372 3.265 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.544 1.731 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.290 1.893 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.114 4.742 9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.062 3.431 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.825 4.285 10.854 1.00 0.00 H new ATOM 1983 N ALA A 129 0.036 0.019 8.986 1.00 0.00 N ATOM 1984 CA ALA A 129 1.094 -0.878 8.535 1.00 0.00 C ATOM 1985 C ALA A 129 0.804 -1.416 7.136 1.00 0.00 C ATOM 1986 O ALA A 129 -0.295 -1.898 6.862 1.00 0.00 O ATOM 1987 CB ALA A 129 1.266 -2.026 9.517 1.00 0.00 C ATOM 0 H ALA A 129 -0.824 -0.035 8.441 1.00 0.00 H new ATOM 0 HA ALA A 129 2.022 -0.308 8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.059 -2.688 9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.530 -1.630 10.498 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.333 -2.585 9.590 1.00 0.00 H new ATOM 1993 N ALA A 130 1.798 -1.334 6.259 1.00 0.00 N ATOM 1994 CA ALA A 130 1.654 -1.817 4.891 1.00 0.00 C ATOM 1995 C ALA A 130 2.235 -3.219 4.743 1.00 0.00 C ATOM 1996 O ALA A 130 3.267 -3.537 5.330 1.00 0.00 O ATOM 1997 CB ALA A 130 2.327 -0.857 3.921 1.00 0.00 C ATOM 0 H ALA A 130 2.713 -0.937 6.471 1.00 0.00 H new ATOM 0 HA ALA A 130 0.591 -1.866 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.213 -1.229 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 130 1.864 0.126 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 130 3.387 -0.780 4.162 1.00 0.00 H new ATOM 2003 N ASP A 131 1.564 -4.054 3.955 1.00 0.00 N ATOM 2004 CA ASP A 131 2.015 -5.425 3.730 1.00 0.00 C ATOM 2005 C ASP A 131 3.447 -5.449 3.207 1.00 0.00 C ATOM 2006 O ASP A 131 4.219 -6.356 3.520 1.00 0.00 O ATOM 2007 CB ASP A 131 1.086 -6.135 2.745 1.00 0.00 C ATOM 2008 CG ASP A 131 1.292 -7.638 2.736 1.00 0.00 C ATOM 2009 OD1 ASP A 131 1.370 -8.231 3.832 1.00 0.00 O ATOM 2010 OD2 ASP A 131 1.375 -8.219 1.635 1.00 0.00 O ATOM 0 H ASP A 131 0.706 -3.806 3.461 1.00 0.00 H new ATOM 0 HA ASP A 131 1.989 -5.950 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.050 -5.915 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 131 1.255 -5.742 1.743 1.00 0.00 H new ATOM 2015 N SER A 132 3.795 -4.446 2.407 1.00 0.00 N ATOM 2016 CA SER A 132 5.133 -4.348 1.837 1.00 0.00 C ATOM 2017 C SER A 132 6.027 -3.472 2.703 1.00 0.00 C ATOM 2018 O SER A 132 5.801 -2.270 2.831 1.00 0.00 O ATOM 2019 CB SER A 132 5.064 -3.781 0.418 1.00 0.00 C ATOM 2020 OG SER A 132 4.758 -4.795 -0.523 1.00 0.00 O ATOM 0 H SER A 132 3.167 -3.688 2.139 1.00 0.00 H new ATOM 0 HA SER A 132 5.561 -5.350 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 132 4.307 -2.998 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 132 6.017 -3.318 0.161 1.00 0.00 H new ATOM 0 HG SER A 132 4.561 -4.386 -1.392 1.00 0.00 H new ATOM 2026 N GLN A 133 7.054 -4.083 3.291 1.00 0.00 N ATOM 2027 CA GLN A 133 7.992 -3.356 4.140 1.00 0.00 C ATOM 2028 C GLN A 133 8.486 -2.097 3.432 1.00 0.00 C ATOM 2029 O GLN A 133 8.849 -1.111 4.076 1.00 0.00 O ATOM 2030 CB GLN A 133 9.178 -4.249 4.510 1.00 0.00 C ATOM 2031 CG GLN A 133 9.025 -4.935 5.858 1.00 0.00 C ATOM 2032 CD GLN A 133 8.294 -6.259 5.758 1.00 0.00 C ATOM 2033 OE1 GLN A 133 7.243 -6.449 6.371 1.00 0.00 O ATOM 2034 NE2 GLN A 133 8.849 -7.184 4.984 1.00 0.00 N ATOM 0 H GLN A 133 7.256 -5.078 3.195 1.00 0.00 H new ATOM 0 HA GLN A 133 7.474 -3.064 5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.306 -5.008 3.738 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.087 -3.647 4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 133 10.011 -5.100 6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 133 8.485 -4.276 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.721 -6.983 4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.403 -8.095 4.879 1.00 0.00 H new ATOM 2043 N GLU A 134 8.488 -2.136 2.103 1.00 0.00 N ATOM 2044 CA GLU A 134 8.927 -0.997 1.308 1.00 0.00 C ATOM 2045 C GLU A 134 7.868 0.096 1.316 1.00 0.00 C ATOM 2046 O GLU A 134 8.173 1.272 1.507 1.00 0.00 O ATOM 2047 CB GLU A 134 9.229 -1.429 -0.128 1.00 0.00 C ATOM 2048 CG GLU A 134 9.835 -0.325 -0.980 1.00 0.00 C ATOM 2049 CD GLU A 134 10.969 -0.820 -1.855 1.00 0.00 C ATOM 2050 OE1 GLU A 134 10.989 -2.028 -2.174 1.00 0.00 O ATOM 2051 OE2 GLU A 134 11.837 -0.001 -2.221 1.00 0.00 O ATOM 0 H GLU A 134 8.191 -2.944 1.556 1.00 0.00 H new ATOM 0 HA GLU A 134 9.841 -0.601 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.913 -2.278 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.307 -1.774 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.059 0.111 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.202 0.470 -0.331 1.00 0.00 H new ATOM 2058 N GLU A 135 6.619 -0.306 1.118 1.00 0.00 N ATOM 2059 CA GLU A 135 5.507 0.634 1.115 1.00 0.00 C ATOM 2060 C GLU A 135 5.348 1.265 2.492 1.00 0.00 C ATOM 2061 O GLU A 135 4.932 2.417 2.617 1.00 0.00 O ATOM 2062 CB GLU A 135 4.212 -0.071 0.707 1.00 0.00 C ATOM 2063 CG GLU A 135 3.905 0.036 -0.779 1.00 0.00 C ATOM 2064 CD GLU A 135 4.977 -0.596 -1.643 1.00 0.00 C ATOM 2065 OE1 GLU A 135 5.233 -1.808 -1.480 1.00 0.00 O ATOM 2066 OE2 GLU A 135 5.559 0.121 -2.483 1.00 0.00 O ATOM 0 H GLU A 135 6.351 -1.277 0.957 1.00 0.00 H new ATOM 0 HA GLU A 135 5.719 1.419 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 135 4.279 -1.124 0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.383 0.354 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.948 -0.445 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.798 1.087 -1.049 1.00 0.00 H new ATOM 2073 N LEU A 136 5.691 0.501 3.526 1.00 0.00 N ATOM 2074 CA LEU A 136 5.597 0.982 4.898 1.00 0.00 C ATOM 2075 C LEU A 136 6.619 2.081 5.147 1.00 0.00 C ATOM 2076 O LEU A 136 6.288 3.153 5.654 1.00 0.00 O ATOM 2077 CB LEU A 136 5.813 -0.170 5.881 1.00 0.00 C ATOM 2078 CG LEU A 136 5.816 0.230 7.359 1.00 0.00 C ATOM 2079 CD1 LEU A 136 4.487 -0.120 8.009 1.00 0.00 C ATOM 2080 CD2 LEU A 136 6.965 -0.447 8.093 1.00 0.00 C ATOM 0 H LEU A 136 6.037 -0.455 3.438 1.00 0.00 H new ATOM 0 HA LEU A 136 4.599 1.392 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.031 -0.913 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 136 6.763 -0.652 5.649 1.00 0.00 H new ATOM 0 HG LEU A 136 5.956 1.309 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.508 0.171 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.682 0.411 7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.317 -1.194 7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.951 -0.151 9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 136 6.856 -1.529 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 136 7.911 -0.146 7.643 1.00 0.00 H new ATOM 2092 N GLN A 137 7.864 1.808 4.781 1.00 0.00 N ATOM 2093 CA GLN A 137 8.939 2.776 4.955 1.00 0.00 C ATOM 2094 C GLN A 137 8.738 3.963 4.023 1.00 0.00 C ATOM 2095 O GLN A 137 9.008 5.107 4.389 1.00 0.00 O ATOM 2096 CB GLN A 137 10.297 2.121 4.693 1.00 0.00 C ATOM 2097 CG GLN A 137 11.031 1.710 5.959 1.00 0.00 C ATOM 2098 CD GLN A 137 10.186 0.841 6.868 1.00 0.00 C ATOM 2099 OE1 GLN A 137 9.573 -0.131 6.424 1.00 0.00 O ATOM 2100 NE2 GLN A 137 10.148 1.186 8.150 1.00 0.00 N ATOM 0 H GLN A 137 8.155 0.925 4.362 1.00 0.00 H new ATOM 0 HA GLN A 137 8.919 3.133 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 137 10.151 1.241 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.922 2.814 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.939 1.171 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.340 2.604 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.671 1.999 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.596 0.638 8.809 1.00 0.00 H new ATOM 2109 N ASP A 138 8.246 3.683 2.821 1.00 0.00 N ATOM 2110 CA ASP A 138 7.990 4.728 1.842 1.00 0.00 C ATOM 2111 C ASP A 138 6.823 5.595 2.293 1.00 0.00 C ATOM 2112 O ASP A 138 6.801 6.803 2.054 1.00 0.00 O ATOM 2113 CB ASP A 138 7.691 4.116 0.472 1.00 0.00 C ATOM 2114 CG ASP A 138 8.931 4.007 -0.396 1.00 0.00 C ATOM 2115 OD1 ASP A 138 9.565 5.051 -0.658 1.00 0.00 O ATOM 2116 OD2 ASP A 138 9.267 2.878 -0.812 1.00 0.00 O ATOM 0 H ASP A 138 8.017 2.741 2.503 1.00 0.00 H new ATOM 0 HA ASP A 138 8.881 5.350 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 138 7.257 3.125 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 138 6.945 4.724 -0.040 1.00 0.00 H new ATOM 2121 N TRP A 139 5.855 4.969 2.956 1.00 0.00 N ATOM 2122 CA TRP A 139 4.684 5.678 3.452 1.00 0.00 C ATOM 2123 C TRP A 139 5.086 6.707 4.501 1.00 0.00 C ATOM 2124 O TRP A 139 4.659 7.860 4.451 1.00 0.00 O ATOM 2125 CB TRP A 139 3.672 4.694 4.043 1.00 0.00 C ATOM 2126 CG TRP A 139 2.525 4.403 3.126 1.00 0.00 C ATOM 2127 CD1 TRP A 139 2.601 3.895 1.863 1.00 0.00 C ATOM 2128 CD2 TRP A 139 1.133 4.605 3.396 1.00 0.00 C ATOM 2129 NE1 TRP A 139 1.342 3.767 1.329 1.00 0.00 N ATOM 2130 CE2 TRP A 139 0.424 4.196 2.252 1.00 0.00 C ATOM 2131 CE3 TRP A 139 0.417 5.089 4.495 1.00 0.00 C ATOM 2132 CZ2 TRP A 139 -0.965 4.258 2.173 1.00 0.00 C ATOM 2133 CZ3 TRP A 139 -0.961 5.151 4.416 1.00 0.00 C ATOM 2134 CH2 TRP A 139 -1.640 4.737 3.263 1.00 0.00 C ATOM 0 H TRP A 139 5.860 3.970 3.162 1.00 0.00 H new ATOM 0 HA TRP A 139 4.219 6.197 2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 139 4.181 3.761 4.284 1.00 0.00 H new ATOM 0 HB3 TRP A 139 3.287 5.098 4.979 1.00 0.00 H new ATOM 0 HD1 TRP A 139 3.518 3.632 1.356 1.00 0.00 H new ATOM 0 HE1 TRP A 139 1.126 3.411 0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.932 5.409 5.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -1.490 3.940 1.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.524 5.525 5.258 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.718 4.797 3.233 1.00 0.00 H new ATOM 2145 N VAL A 140 5.910 6.280 5.450 1.00 0.00 N ATOM 2146 CA VAL A 140 6.373 7.164 6.510 1.00 0.00 C ATOM 2147 C VAL A 140 7.191 8.313 5.937 1.00 0.00 C ATOM 2148 O VAL A 140 7.015 9.471 6.320 1.00 0.00 O ATOM 2149 CB VAL A 140 7.224 6.406 7.547 1.00 0.00 C ATOM 2150 CG1 VAL A 140 7.575 7.311 8.717 1.00 0.00 C ATOM 2151 CG2 VAL A 140 6.495 5.159 8.027 1.00 0.00 C ATOM 0 H VAL A 140 6.271 5.328 5.506 1.00 0.00 H new ATOM 0 HA VAL A 140 5.487 7.560 7.006 1.00 0.00 H new ATOM 0 HB VAL A 140 8.153 6.095 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.176 6.757 9.438 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.141 8.169 8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.659 7.656 9.197 1.00 0.00 H new ATOM 0 HG21 VAL A 140 7.111 4.636 8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.549 5.445 8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.302 4.501 7.179 1.00 0.00 H new ATOM 2161 N LYS A 141 8.082 7.984 5.012 1.00 0.00 N ATOM 2162 CA LYS A 141 8.929 8.984 4.377 1.00 0.00 C ATOM 2163 C LYS A 141 8.085 10.011 3.634 1.00 0.00 C ATOM 2164 O LYS A 141 8.448 11.186 3.556 1.00 0.00 O ATOM 2165 CB LYS A 141 9.916 8.315 3.417 1.00 0.00 C ATOM 2166 CG LYS A 141 11.340 8.265 3.949 1.00 0.00 C ATOM 2167 CD LYS A 141 11.943 6.877 3.806 1.00 0.00 C ATOM 2168 CE LYS A 141 12.802 6.517 5.010 1.00 0.00 C ATOM 2169 NZ LYS A 141 14.026 5.767 4.614 1.00 0.00 N ATOM 0 H LYS A 141 8.237 7.031 4.684 1.00 0.00 H new ATOM 0 HA LYS A 141 9.492 9.499 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.578 7.300 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.909 8.853 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 141 11.955 8.987 3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.347 8.559 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.146 6.142 3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 141 12.547 6.833 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.088 7.427 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.217 5.916 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.584 5.541 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.753 4.886 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 14.597 6.350 3.969 1.00 0.00 H new ATOM 2183 N LYS A 142 6.956 9.569 3.090 1.00 0.00 N ATOM 2184 CA LYS A 142 6.069 10.464 2.362 1.00 0.00 C ATOM 2185 C LYS A 142 5.395 11.434 3.318 1.00 0.00 C ATOM 2186 O LYS A 142 5.431 12.645 3.112 1.00 0.00 O ATOM 2187 CB LYS A 142 5.016 9.671 1.584 1.00 0.00 C ATOM 2188 CG LYS A 142 4.628 10.315 0.262 1.00 0.00 C ATOM 2189 CD LYS A 142 4.519 9.285 -0.851 1.00 0.00 C ATOM 2190 CE LYS A 142 4.991 9.848 -2.181 1.00 0.00 C ATOM 2191 NZ LYS A 142 6.360 9.376 -2.530 1.00 0.00 N ATOM 0 H LYS A 142 6.636 8.602 3.140 1.00 0.00 H new ATOM 0 HA LYS A 142 6.668 11.032 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 142 5.396 8.667 1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 142 4.125 9.562 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 142 3.675 10.832 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 142 5.369 11.067 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 142 5.113 8.408 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 142 3.484 8.954 -0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 142 4.295 9.555 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 142 4.983 10.937 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 6.645 9.782 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 7.029 9.677 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 6.363 8.338 -2.597 1.00 0.00 H new ATOM 2205 N ILE A 143 4.801 10.904 4.381 1.00 0.00 N ATOM 2206 CA ILE A 143 4.150 11.751 5.372 1.00 0.00 C ATOM 2207 C ILE A 143 5.132 12.809 5.866 1.00 0.00 C ATOM 2208 O ILE A 143 4.745 13.925 6.214 1.00 0.00 O ATOM 2209 CB ILE A 143 3.632 10.931 6.570 1.00 0.00 C ATOM 2210 CG1 ILE A 143 2.668 9.844 6.095 1.00 0.00 C ATOM 2211 CG2 ILE A 143 2.953 11.839 7.586 1.00 0.00 C ATOM 2212 CD1 ILE A 143 2.175 8.945 7.208 1.00 0.00 C ATOM 0 H ILE A 143 4.757 9.904 4.577 1.00 0.00 H new ATOM 0 HA ILE A 143 3.294 12.227 4.894 1.00 0.00 H new ATOM 0 HB ILE A 143 4.483 10.451 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 143 1.811 10.315 5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 143 3.164 9.235 5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 143 2.594 11.242 8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 143 3.667 12.579 7.947 1.00 0.00 H new ATOM 0 HG23 ILE A 143 2.111 12.347 7.115 1.00 0.00 H new ATOM 0 HD11 ILE A 143 1.495 8.198 6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 143 3.024 8.446 7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 143 1.650 9.543 7.953 1.00 0.00 H new ATOM 2224 N ARG A 144 6.412 12.442 5.882 1.00 0.00 N ATOM 2225 CA ARG A 144 7.463 13.347 6.319 1.00 0.00 C ATOM 2226 C ARG A 144 7.845 14.323 5.211 1.00 0.00 C ATOM 2227 O ARG A 144 8.217 15.465 5.485 1.00 0.00 O ATOM 2228 CB ARG A 144 8.697 12.555 6.758 1.00 0.00 C ATOM 2229 CG ARG A 144 8.507 11.812 8.071 1.00 0.00 C ATOM 2230 CD ARG A 144 9.713 10.948 8.401 1.00 0.00 C ATOM 2231 NE ARG A 144 10.752 11.703 9.097 1.00 0.00 N ATOM 2232 CZ ARG A 144 10.709 12.003 10.393 1.00 0.00 C ATOM 2233 NH1 ARG A 144 9.681 11.612 11.139 1.00 0.00 N ATOM 2234 NH2 ARG A 144 11.695 12.695 10.948 1.00 0.00 N ATOM 0 H ARG A 144 6.743 11.521 5.596 1.00 0.00 H new ATOM 0 HA ARG A 144 7.081 13.918 7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 144 8.955 11.838 5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 144 9.541 13.238 6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 144 8.340 12.529 8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 144 7.616 11.187 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 144 9.399 10.108 9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 144 10.123 10.530 7.481 1.00 0.00 H new ATOM 0 HE ARG A 144 11.558 12.019 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 144 8.920 11.079 10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 144 9.654 11.845 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 144 12.487 12.998 10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 144 11.661 12.924 11.941 1.00 0.00 H new ATOM 2248 N GLU A 145 7.755 13.878 3.958 1.00 0.00 N ATOM 2249 CA GLU A 145 8.101 14.736 2.830 1.00 0.00 C ATOM 2250 C GLU A 145 6.977 15.724 2.533 1.00 0.00 C ATOM 2251 O GLU A 145 7.225 16.844 2.089 1.00 0.00 O ATOM 2252 CB GLU A 145 8.431 13.891 1.588 1.00 0.00 C ATOM 2253 CG GLU A 145 7.232 13.568 0.706 1.00 0.00 C ATOM 2254 CD GLU A 145 7.616 12.782 -0.532 1.00 0.00 C ATOM 2255 OE1 GLU A 145 8.036 11.614 -0.387 1.00 0.00 O ATOM 2256 OE2 GLU A 145 7.496 13.333 -1.647 1.00 0.00 O ATOM 0 H GLU A 145 7.449 12.939 3.702 1.00 0.00 H new ATOM 0 HA GLU A 145 8.989 15.309 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.173 14.421 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 145 8.890 12.957 1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 145 6.504 12.998 1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 145 6.745 14.496 0.407 1.00 0.00 H new ATOM 2263 N VAL A 146 5.743 15.307 2.796 1.00 0.00 N ATOM 2264 CA VAL A 146 4.590 16.164 2.571 1.00 0.00 C ATOM 2265 C VAL A 146 4.380 17.091 3.762 1.00 0.00 C ATOM 2266 O VAL A 146 3.881 18.206 3.617 1.00 0.00 O ATOM 2267 CB VAL A 146 3.310 15.340 2.319 1.00 0.00 C ATOM 2268 CG1 VAL A 146 2.981 14.460 3.515 1.00 0.00 C ATOM 2269 CG2 VAL A 146 2.141 16.253 1.978 1.00 0.00 C ATOM 0 H VAL A 146 5.518 14.383 3.164 1.00 0.00 H new ATOM 0 HA VAL A 146 4.791 16.758 1.679 1.00 0.00 H new ATOM 0 HB VAL A 146 3.492 14.687 1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 146 2.074 13.891 3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 146 3.807 13.773 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 146 2.826 15.085 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 146 1.249 15.652 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 146 1.961 16.938 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 146 2.375 16.823 1.079 1.00 0.00 H new ATOM 2279 N ALA A 147 4.783 16.626 4.942 1.00 0.00 N ATOM 2280 CA ALA A 147 4.657 17.416 6.156 1.00 0.00 C ATOM 2281 C ALA A 147 5.715 18.510 6.195 1.00 0.00 C ATOM 2282 O ALA A 147 5.468 19.609 6.692 1.00 0.00 O ATOM 2283 CB ALA A 147 4.770 16.525 7.381 1.00 0.00 C ATOM 0 H ALA A 147 5.199 15.705 5.079 1.00 0.00 H new ATOM 0 HA ALA A 147 3.675 17.888 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 147 4.674 17.131 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.978 15.777 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.740 16.027 7.381 1.00 0.00 H new ATOM 2289 N GLN A 148 6.894 18.204 5.662 1.00 0.00 N ATOM 2290 CA GLN A 148 7.987 19.166 5.629 1.00 0.00 C ATOM 2291 C GLN A 148 7.741 20.236 4.567 1.00 0.00 C ATOM 2292 O GLN A 148 8.436 21.251 4.524 1.00 0.00 O ATOM 2293 CB GLN A 148 9.315 18.456 5.357 1.00 0.00 C ATOM 2294 CG GLN A 148 10.501 19.097 6.059 1.00 0.00 C ATOM 2295 CD GLN A 148 11.460 18.071 6.634 1.00 0.00 C ATOM 2296 OE1 GLN A 148 11.078 16.936 6.916 1.00 0.00 O ATOM 2297 NE2 GLN A 148 12.715 18.470 6.812 1.00 0.00 N ATOM 0 H GLN A 148 7.115 17.298 5.248 1.00 0.00 H new ATOM 0 HA GLN A 148 8.037 19.652 6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 148 9.234 17.416 5.674 1.00 0.00 H new ATOM 0 HB3 GLN A 148 9.500 18.448 4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.035 19.734 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 148 10.140 19.741 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 148 12.988 19.421 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 148 13.405 17.825 7.197 1.00 0.00 H new ATOM 2306 N THR A 149 6.746 20.003 3.711 1.00 0.00 N ATOM 2307 CA THR A 149 6.411 20.951 2.654 1.00 0.00 C ATOM 2308 C THR A 149 4.998 21.502 2.831 1.00 0.00 C ATOM 2309 O THR A 149 4.448 22.125 1.922 1.00 0.00 O ATOM 2310 CB THR A 149 6.540 20.283 1.284 1.00 0.00 C ATOM 2311 OG1 THR A 149 6.312 21.218 0.246 1.00 0.00 O ATOM 2312 CG2 THR A 149 5.577 19.133 1.086 1.00 0.00 C ATOM 0 H THR A 149 6.161 19.168 3.730 1.00 0.00 H new ATOM 0 HA THR A 149 7.112 21.783 2.717 1.00 0.00 H new ATOM 0 HB THR A 149 7.558 19.894 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 149 5.600 21.836 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 149 5.721 18.704 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 149 5.762 18.370 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 149 4.553 19.496 1.179 1.00 0.00 H new ATOM 2320 N ALA A 150 4.412 21.272 4.004 1.00 0.00 N ATOM 2321 CA ALA A 150 3.064 21.748 4.290 1.00 0.00 C ATOM 2322 C ALA A 150 2.058 21.188 3.291 1.00 0.00 C ATOM 2323 O ALA A 150 2.483 20.456 2.373 1.00 0.00 O ATOM 2324 CB ALA A 150 3.030 23.269 4.279 1.00 0.00 C ATOM 2325 OXT ALA A 150 0.853 21.484 3.436 1.00 0.00 O ATOM 0 H ALA A 150 4.850 20.760 4.770 1.00 0.00 H new ATOM 0 HA ALA A 150 2.784 21.395 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.018 23.612 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.712 23.654 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.336 23.633 3.298 1.00 0.00 H new