USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 55 SER OG : rot 171:sc= 0.866 USER MOD Set 1.2: A 83 THR OG1 : rot 76:sc= 0.742 USER MOD Set 2.1: A 22 GLN : amide:sc= -1.45 K(o=-1.5,f=-2) USER MOD Set 2.2: A 29 MET CE :methyl 154:sc= -0.0233 (180deg=-0.023) USER MOD Set 2.3: A 32 THR OG1 : rot 140:sc= -0.0145 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.17 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.3) USER MOD Single : A 34 SER OG : rot 160:sc= -3.19! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 5:sc= 0.143 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.154 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 167:sc= -0.15 (180deg=-0.399) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 66 HIS : no HE2:sc= -2.46 K(o=-2.5,f=-7.8!) USER MOD Single : A 70 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 71 ASN : amide:sc= -5.13! C(o=-5.1!,f=-4.6!) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0715 (180deg=-0.246) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -17:sc= 0.5 USER MOD Single : A 82 MET CE :methyl -156:sc= -1.27 (180deg=-2.86) USER MOD Single : A 85 GLN : amide:sc= -1.01 K(o=-1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.541 -5.196 14.343 1.00 0.00 N ATOM 60 CA GLY A 7 -3.146 -5.499 14.612 1.00 0.00 C ATOM 61 C GLY A 7 -2.224 -4.715 13.676 1.00 0.00 C ATOM 62 O GLY A 7 -2.484 -4.622 12.478 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.911 -5.255 15.648 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.972 -6.568 14.488 1.00 0.00 H new ATOM 66 N SER A 8 -1.165 -4.171 14.259 1.00 0.00 N ATOM 67 CA SER A 8 -0.203 -3.398 13.492 1.00 0.00 C ATOM 68 C SER A 8 0.956 -4.294 13.052 1.00 0.00 C ATOM 69 O SER A 8 1.145 -5.382 13.594 1.00 0.00 O ATOM 70 CB SER A 8 0.321 -2.211 14.303 1.00 0.00 C ATOM 71 OG SER A 8 1.317 -1.479 13.594 1.00 0.00 O ATOM 0 H SER A 8 -0.952 -4.251 15.253 1.00 0.00 H new ATOM 0 HA SER A 8 -0.706 -3.006 12.608 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.508 -1.548 14.552 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.736 -2.570 15.245 1.00 0.00 H new ATOM 0 HG SER A 8 1.625 -0.729 14.144 1.00 0.00 H new ATOM 77 N VAL A 9 1.703 -3.803 12.074 1.00 0.00 N ATOM 78 CA VAL A 9 2.839 -4.546 11.556 1.00 0.00 C ATOM 79 C VAL A 9 4.012 -3.588 11.334 1.00 0.00 C ATOM 80 O VAL A 9 3.826 -2.373 11.293 1.00 0.00 O ATOM 81 CB VAL A 9 2.436 -5.301 10.287 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.507 -4.453 9.417 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.670 -5.748 9.500 1.00 0.00 C ATOM 0 H VAL A 9 1.544 -2.900 11.627 1.00 0.00 H new ATOM 0 HA VAL A 9 3.164 -5.297 12.276 1.00 0.00 H new ATOM 0 HB VAL A 9 1.889 -6.195 10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.236 -5.013 8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.606 -4.208 9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.017 -3.533 9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.356 -6.282 8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.256 -4.874 9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.278 -6.407 10.120 1.00 0.00 H new ATOM 93 N SER A 10 5.193 -4.171 11.197 1.00 0.00 N ATOM 94 CA SER A 10 6.396 -3.385 10.981 1.00 0.00 C ATOM 95 C SER A 10 7.252 -4.027 9.887 1.00 0.00 C ATOM 96 O SER A 10 7.523 -5.226 9.930 1.00 0.00 O ATOM 97 CB SER A 10 7.203 -3.246 12.273 1.00 0.00 C ATOM 98 OG SER A 10 8.386 -2.475 12.083 1.00 0.00 O ATOM 0 H SER A 10 5.343 -5.179 11.231 1.00 0.00 H new ATOM 0 HA SER A 10 6.098 -2.386 10.661 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.584 -2.778 13.038 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.471 -4.236 12.641 1.00 0.00 H new ATOM 0 HG SER A 10 8.872 -2.408 12.931 1.00 0.00 H new ATOM 104 N LEU A 11 7.653 -3.200 8.933 1.00 0.00 N ATOM 105 CA LEU A 11 8.473 -3.672 7.830 1.00 0.00 C ATOM 106 C LEU A 11 9.804 -2.918 7.830 1.00 0.00 C ATOM 107 O LEU A 11 9.862 -1.753 8.220 1.00 0.00 O ATOM 108 CB LEU A 11 7.706 -3.567 6.510 1.00 0.00 C ATOM 109 CG LEU A 11 6.320 -4.213 6.485 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.651 -4.025 5.122 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.394 -5.686 6.889 1.00 0.00 C ATOM 0 H LEU A 11 7.426 -2.206 8.901 1.00 0.00 H new ATOM 0 HA LEU A 11 8.706 -4.730 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.597 -2.512 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.310 -4.021 5.725 1.00 0.00 H new ATOM 0 HG LEU A 11 5.695 -3.708 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.667 -4.494 5.132 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.544 -2.961 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.265 -4.486 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.395 -6.121 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.041 -6.222 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.799 -5.767 7.898 1.00 0.00 H new ATOM 123 N VAL A 12 10.841 -3.614 7.389 1.00 0.00 N ATOM 124 CA VAL A 12 12.169 -3.025 7.333 1.00 0.00 C ATOM 125 C VAL A 12 12.624 -2.940 5.875 1.00 0.00 C ATOM 126 O VAL A 12 12.959 -3.955 5.266 1.00 0.00 O ATOM 127 CB VAL A 12 13.132 -3.822 8.215 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.571 -3.332 8.037 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.709 -3.760 9.684 1.00 0.00 C ATOM 0 H VAL A 12 10.789 -4.580 7.067 1.00 0.00 H new ATOM 0 HA VAL A 12 12.153 -2.009 7.728 1.00 0.00 H new ATOM 0 HB VAL A 12 13.091 -4.864 7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.235 -3.915 8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.870 -3.452 6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.634 -2.279 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.410 -4.335 10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.706 -2.723 10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.708 -4.179 9.792 1.00 0.00 H new ATOM 139 N GLY A 13 12.620 -1.721 5.357 1.00 0.00 N ATOM 140 CA GLY A 13 13.029 -1.490 3.982 1.00 0.00 C ATOM 141 C GLY A 13 13.064 0.006 3.663 1.00 0.00 C ATOM 142 O GLY A 13 12.388 0.799 4.316 1.00 0.00 O ATOM 0 H GLY A 13 12.340 -0.882 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.015 -1.924 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.340 -1.994 3.304 1.00 0.00 H new ATOM 146 N PRO A 14 13.880 0.355 2.633 1.00 0.00 N ATOM 147 CA PRO A 14 14.012 1.742 2.220 1.00 0.00 C ATOM 148 C PRO A 14 12.776 2.202 1.443 1.00 0.00 C ATOM 149 O PRO A 14 12.655 3.378 1.103 1.00 0.00 O ATOM 150 CB PRO A 14 15.285 1.786 1.391 1.00 0.00 C ATOM 151 CG PRO A 14 15.567 0.349 0.983 1.00 0.00 C ATOM 152 CD PRO A 14 14.695 -0.557 1.837 1.00 0.00 C ATOM 0 HA PRO A 14 14.079 2.428 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.159 2.423 0.515 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.113 2.198 1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.349 0.203 -0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.621 0.111 1.127 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.074 -1.206 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.300 -1.204 2.472 1.00 0.00 H new ATOM 160 N ALA A 15 11.890 1.252 1.186 1.00 0.00 N ATOM 161 CA ALA A 15 10.669 1.545 0.456 1.00 0.00 C ATOM 162 C ALA A 15 10.076 0.242 -0.083 1.00 0.00 C ATOM 163 O ALA A 15 8.891 -0.030 0.104 1.00 0.00 O ATOM 164 CB ALA A 15 10.968 2.553 -0.656 1.00 0.00 C ATOM 0 H ALA A 15 11.993 0.278 1.470 1.00 0.00 H new ATOM 0 HA ALA A 15 9.928 1.997 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.052 2.773 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.359 3.472 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.707 2.133 -1.339 1.00 0.00 H new ATOM 170 N PRO A 16 10.950 -0.551 -0.759 1.00 0.00 N ATOM 171 CA PRO A 16 10.526 -1.820 -1.326 1.00 0.00 C ATOM 172 C PRO A 16 10.355 -2.879 -0.235 1.00 0.00 C ATOM 173 O PRO A 16 11.225 -3.728 -0.048 1.00 0.00 O ATOM 174 CB PRO A 16 11.602 -2.178 -2.338 1.00 0.00 C ATOM 175 CG PRO A 16 12.815 -1.340 -1.971 1.00 0.00 C ATOM 176 CD PRO A 16 12.361 -0.262 -1.000 1.00 0.00 C ATOM 0 HA PRO A 16 9.550 -1.760 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.836 -3.242 -2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.271 -1.961 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.586 -1.963 -1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.252 -0.891 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.936 -0.295 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.495 0.734 -1.423 1.00 0.00 H new ATOM 184 N TRP A 17 9.229 -2.793 0.457 1.00 0.00 N ATOM 185 CA TRP A 17 8.933 -3.733 1.525 1.00 0.00 C ATOM 186 C TRP A 17 8.573 -5.076 0.886 1.00 0.00 C ATOM 187 O TRP A 17 8.702 -6.123 1.518 1.00 0.00 O ATOM 188 CB TRP A 17 7.834 -3.194 2.442 1.00 0.00 C ATOM 189 CG TRP A 17 7.839 -1.671 2.591 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.217 -0.765 1.824 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.529 -0.909 3.604 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.454 0.521 2.267 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.277 0.430 3.384 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.339 -1.336 4.670 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.797 1.451 4.189 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.851 -0.304 5.466 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.607 1.048 5.258 1.00 0.00 C ATOM 0 H TRP A 17 8.510 -2.087 0.299 1.00 0.00 H new ATOM 0 HA TRP A 17 9.803 -3.874 2.166 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.865 -3.508 2.054 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.944 -3.646 3.428 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.607 -1.010 0.967 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.092 1.379 1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.550 -2.378 4.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.585 2.492 3.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.480 -0.578 6.300 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.040 1.785 5.918 1.00 0.00 H new ATOM 208 N GLY A 18 8.128 -5.002 -0.360 1.00 0.00 N ATOM 209 CA GLY A 18 7.748 -6.199 -1.092 1.00 0.00 C ATOM 210 C GLY A 18 6.229 -6.288 -1.245 1.00 0.00 C ATOM 211 O GLY A 18 5.678 -7.380 -1.383 1.00 0.00 O ATOM 0 H GLY A 18 8.022 -4.132 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.217 -6.192 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.117 -7.082 -0.570 1.00 0.00 H new ATOM 215 N PHE A 19 5.594 -5.126 -1.217 1.00 0.00 N ATOM 216 CA PHE A 19 4.148 -5.059 -1.351 1.00 0.00 C ATOM 217 C PHE A 19 3.723 -3.771 -2.059 1.00 0.00 C ATOM 218 O PHE A 19 4.393 -2.746 -1.947 1.00 0.00 O ATOM 219 CB PHE A 19 3.567 -5.065 0.064 1.00 0.00 C ATOM 220 CG PHE A 19 3.553 -3.691 0.737 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.728 -2.715 0.272 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.365 -3.446 1.800 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.714 -1.439 0.897 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.352 -2.170 2.424 1.00 0.00 C ATOM 225 CZ PHE A 19 3.527 -1.194 1.960 1.00 0.00 C ATOM 0 H PHE A 19 6.054 -4.223 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 19 3.789 -5.902 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.548 -5.450 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.145 -5.754 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.083 -2.910 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.020 -4.221 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.058 -0.664 0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.998 -1.975 3.267 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.517 -0.224 2.435 1.00 0.00 H new ATOM 235 N ARG A 20 2.611 -3.867 -2.774 1.00 0.00 N ATOM 236 CA ARG A 20 2.088 -2.722 -3.500 1.00 0.00 C ATOM 237 C ARG A 20 0.756 -2.273 -2.895 1.00 0.00 C ATOM 238 O ARG A 20 0.230 -2.922 -1.992 1.00 0.00 O ATOM 239 CB ARG A 20 1.881 -3.056 -4.979 1.00 0.00 C ATOM 240 CG ARG A 20 3.188 -2.911 -5.761 1.00 0.00 C ATOM 241 CD ARG A 20 3.066 -1.831 -6.837 1.00 0.00 C ATOM 242 NE ARG A 20 4.231 -1.890 -7.748 1.00 0.00 N ATOM 243 CZ ARG A 20 4.554 -0.923 -8.619 1.00 0.00 C ATOM 244 NH1 ARG A 20 3.802 0.182 -8.702 1.00 0.00 N ATOM 245 NH2 ARG A 20 5.629 -1.062 -9.406 1.00 0.00 N ATOM 0 H ARG A 20 2.058 -4.719 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 20 2.818 -1.916 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.506 -4.075 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.124 -2.396 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.999 -2.659 -5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.446 -3.863 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.145 -1.972 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.007 -0.847 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 20 4.825 -2.718 -7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.984 0.288 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.048 0.918 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.202 -1.903 -9.343 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.875 -0.326 -10.069 1.00 0.00 H new ATOM 259 N LEU A 21 0.250 -1.165 -3.416 1.00 0.00 N ATOM 260 CA LEU A 21 -1.010 -0.621 -2.939 1.00 0.00 C ATOM 261 C LEU A 21 -1.913 -0.311 -4.135 1.00 0.00 C ATOM 262 O LEU A 21 -1.434 -0.170 -5.259 1.00 0.00 O ATOM 263 CB LEU A 21 -0.763 0.582 -2.027 1.00 0.00 C ATOM 264 CG LEU A 21 0.105 0.322 -0.794 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.499 1.634 -0.114 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.589 -0.639 0.173 1.00 0.00 C ATOM 0 H LEU A 21 0.690 -0.629 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.534 -1.355 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.295 1.370 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.728 0.964 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 21 1.026 -0.160 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.115 1.420 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.062 2.252 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.400 2.166 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.050 -0.807 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.536 -0.208 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.776 -1.588 -0.329 1.00 0.00 H new ATOM 278 N GLN A 22 -3.204 -0.214 -3.852 1.00 0.00 N ATOM 279 CA GLN A 22 -4.178 0.077 -4.890 1.00 0.00 C ATOM 280 C GLN A 22 -5.472 0.607 -4.270 1.00 0.00 C ATOM 281 O GLN A 22 -5.858 0.192 -3.179 1.00 0.00 O ATOM 282 CB GLN A 22 -4.448 -1.160 -5.750 1.00 0.00 C ATOM 283 CG GLN A 22 -4.999 -2.308 -4.902 1.00 0.00 C ATOM 284 CD GLN A 22 -5.488 -3.457 -5.786 1.00 0.00 C ATOM 285 OE1 GLN A 22 -4.839 -3.864 -6.734 1.00 0.00 O ATOM 286 NE2 GLN A 22 -6.668 -3.954 -5.423 1.00 0.00 N ATOM 0 H GLN A 22 -3.598 -0.332 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.767 0.849 -5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.159 -0.911 -6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.527 -1.475 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.225 -2.669 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.820 -1.946 -4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.159 -3.566 -4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.081 -4.723 -5.950 1.00 0.00 H new ATOM 295 N GLY A 23 -6.107 1.518 -4.994 1.00 0.00 N ATOM 296 CA GLY A 23 -7.350 2.109 -4.529 1.00 0.00 C ATOM 297 C GLY A 23 -7.113 3.512 -3.967 1.00 0.00 C ATOM 298 O GLY A 23 -6.096 4.139 -4.260 1.00 0.00 O ATOM 0 H GLY A 23 -5.784 1.861 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.063 2.159 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.793 1.476 -3.761 1.00 0.00 H new ATOM 302 N GLY A 24 -8.069 3.965 -3.169 1.00 0.00 N ATOM 303 CA GLY A 24 -7.977 5.283 -2.564 1.00 0.00 C ATOM 304 C GLY A 24 -9.242 6.100 -2.833 1.00 0.00 C ATOM 305 O GLY A 24 -10.130 5.655 -3.558 1.00 0.00 O ATOM 0 H GLY A 24 -8.911 3.443 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.826 5.184 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.109 5.809 -2.961 1.00 0.00 H new ATOM 309 N LYS A 25 -9.285 7.280 -2.233 1.00 0.00 N ATOM 310 CA LYS A 25 -10.427 8.163 -2.398 1.00 0.00 C ATOM 311 C LYS A 25 -10.527 8.592 -3.863 1.00 0.00 C ATOM 312 O LYS A 25 -11.625 8.732 -4.399 1.00 0.00 O ATOM 313 CB LYS A 25 -10.344 9.336 -1.419 1.00 0.00 C ATOM 314 CG LYS A 25 -11.606 9.421 -0.558 1.00 0.00 C ATOM 315 CD LYS A 25 -11.305 10.073 0.793 1.00 0.00 C ATOM 316 CE LYS A 25 -11.457 11.593 0.715 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.062 12.118 1.960 1.00 0.00 N ATOM 0 H LYS A 25 -8.547 7.646 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.351 7.639 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.470 9.219 -0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.213 10.267 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.370 9.996 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.012 8.422 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.980 9.675 1.551 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.291 9.821 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.482 12.054 0.555 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.080 11.859 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.158 13.151 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.001 11.691 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.453 11.881 2.769 1.00 0.00 H new ATOM 331 N ASP A 26 -9.365 8.787 -4.470 1.00 0.00 N ATOM 332 CA ASP A 26 -9.308 9.197 -5.863 1.00 0.00 C ATOM 333 C ASP A 26 -9.726 8.025 -6.752 1.00 0.00 C ATOM 334 O ASP A 26 -10.122 8.222 -7.900 1.00 0.00 O ATOM 335 CB ASP A 26 -7.888 9.607 -6.258 1.00 0.00 C ATOM 336 CG ASP A 26 -7.632 9.680 -7.765 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.565 8.595 -8.383 1.00 0.00 O ATOM 338 OD2 ASP A 26 -7.509 10.819 -8.265 1.00 0.00 O ATOM 0 H ASP A 26 -8.456 8.669 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.978 10.047 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.672 10.582 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.186 8.898 -5.819 1.00 0.00 H new ATOM 343 N PHE A 27 -9.625 6.830 -6.189 1.00 0.00 N ATOM 344 CA PHE A 27 -9.989 5.626 -6.917 1.00 0.00 C ATOM 345 C PHE A 27 -11.424 5.204 -6.596 1.00 0.00 C ATOM 346 O PHE A 27 -12.023 4.420 -7.330 1.00 0.00 O ATOM 347 CB PHE A 27 -9.031 4.522 -6.462 1.00 0.00 C ATOM 348 CG PHE A 27 -7.626 4.634 -7.056 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.800 5.640 -6.663 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.203 3.727 -7.977 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.495 5.744 -7.215 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.898 3.830 -8.528 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.072 4.837 -8.135 1.00 0.00 C ATOM 0 H PHE A 27 -9.296 6.670 -5.237 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.923 5.805 -7.990 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.958 4.544 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.453 3.554 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.136 6.360 -5.931 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.860 2.928 -8.289 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.839 6.544 -6.904 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.562 3.109 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.080 4.916 -8.554 1.00 0.00 H new ATOM 363 N ASN A 28 -11.934 5.743 -5.498 1.00 0.00 N ATOM 364 CA ASN A 28 -13.288 5.432 -5.071 1.00 0.00 C ATOM 365 C ASN A 28 -13.302 4.060 -4.393 1.00 0.00 C ATOM 366 O ASN A 28 -14.257 3.300 -4.542 1.00 0.00 O ATOM 367 CB ASN A 28 -14.243 5.378 -6.265 1.00 0.00 C ATOM 368 CG ASN A 28 -15.686 5.632 -5.825 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.014 5.625 -4.649 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.527 5.855 -6.830 1.00 0.00 N ATOM 0 H ASN A 28 -11.434 6.393 -4.891 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.613 6.213 -4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.948 6.122 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.172 4.403 -6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.513 6.034 -6.640 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.186 5.847 -7.791 1.00 0.00 H new ATOM 377 N MET A 29 -12.231 3.786 -3.663 1.00 0.00 N ATOM 378 CA MET A 29 -12.108 2.519 -2.962 1.00 0.00 C ATOM 379 C MET A 29 -11.086 2.618 -1.828 1.00 0.00 C ATOM 380 O MET A 29 -10.294 3.558 -1.780 1.00 0.00 O ATOM 381 CB MET A 29 -11.676 1.430 -3.946 1.00 0.00 C ATOM 382 CG MET A 29 -10.151 1.353 -4.043 1.00 0.00 C ATOM 383 SD MET A 29 -9.677 0.139 -5.264 1.00 0.00 S ATOM 384 CE MET A 29 -9.061 -1.151 -4.195 1.00 0.00 C ATOM 0 H MET A 29 -11.441 4.419 -3.542 1.00 0.00 H new ATOM 0 HA MET A 29 -13.077 2.267 -2.532 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.073 0.467 -3.625 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.097 1.636 -4.930 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.746 2.329 -4.312 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.730 1.089 -3.073 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.155 -2.114 -4.696 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.013 -0.963 -3.964 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.639 -1.165 -3.271 1.00 0.00 H new ATOM 394 N PRO A 30 -11.137 1.607 -0.919 1.00 0.00 N ATOM 395 CA PRO A 30 -10.225 1.571 0.212 1.00 0.00 C ATOM 396 C PRO A 30 -8.822 1.150 -0.228 1.00 0.00 C ATOM 397 O PRO A 30 -8.658 0.514 -1.268 1.00 0.00 O ATOM 398 CB PRO A 30 -10.856 0.598 1.195 1.00 0.00 C ATOM 399 CG PRO A 30 -11.849 -0.223 0.389 1.00 0.00 C ATOM 400 CD PRO A 30 -12.060 0.477 -0.943 1.00 0.00 C ATOM 0 HA PRO A 30 -10.087 2.549 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.100 -0.041 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.355 1.130 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.471 -1.234 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.793 -0.315 0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.848 -0.190 -1.779 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.091 0.811 -1.056 1.00 0.00 H new ATOM 408 N LEU A 31 -7.844 1.522 0.585 1.00 0.00 N ATOM 409 CA LEU A 31 -6.460 1.191 0.292 1.00 0.00 C ATOM 410 C LEU A 31 -6.219 -0.289 0.596 1.00 0.00 C ATOM 411 O LEU A 31 -6.365 -0.724 1.737 1.00 0.00 O ATOM 412 CB LEU A 31 -5.514 2.134 1.038 1.00 0.00 C ATOM 413 CG LEU A 31 -5.571 3.606 0.625 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.687 4.515 1.850 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.372 3.976 -0.251 1.00 0.00 C ATOM 0 H LEU A 31 -7.983 2.050 1.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.249 1.338 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.733 2.068 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.493 1.777 0.899 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.468 3.758 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.726 5.556 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.596 4.271 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.822 4.367 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.437 5.027 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.449 3.804 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.375 3.360 -1.150 1.00 0.00 H new ATOM 427 N THR A 32 -5.854 -1.023 -0.445 1.00 0.00 N ATOM 428 CA THR A 32 -5.591 -2.445 -0.304 1.00 0.00 C ATOM 429 C THR A 32 -4.214 -2.791 -0.872 1.00 0.00 C ATOM 430 O THR A 32 -3.590 -1.970 -1.542 1.00 0.00 O ATOM 431 CB THR A 32 -6.735 -3.206 -0.977 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.215 -2.305 -1.971 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.933 -3.405 -0.046 1.00 0.00 C ATOM 0 H THR A 32 -5.734 -0.659 -1.390 1.00 0.00 H new ATOM 0 HA THR A 32 -5.558 -2.739 0.745 1.00 0.00 H new ATOM 0 HB THR A 32 -6.374 -4.176 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.427 -2.802 -2.789 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.716 -3.950 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.622 -3.973 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.315 -2.434 0.268 1.00 0.00 H new ATOM 441 N ILE A 33 -3.780 -4.010 -0.585 1.00 0.00 N ATOM 442 CA ILE A 33 -2.488 -4.476 -1.059 1.00 0.00 C ATOM 443 C ILE A 33 -2.606 -4.883 -2.530 1.00 0.00 C ATOM 444 O ILE A 33 -3.147 -5.942 -2.843 1.00 0.00 O ATOM 445 CB ILE A 33 -1.955 -5.588 -0.154 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.766 -5.086 1.279 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.669 -6.189 -0.725 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.666 -4.024 1.347 1.00 0.00 C ATOM 0 H ILE A 33 -4.301 -4.689 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.751 -3.674 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.697 -6.386 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.703 -4.669 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.510 -5.922 1.930 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.311 -6.977 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.869 -6.607 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.090 -5.412 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.552 -3.684 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.275 -4.452 1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.936 -3.179 0.714 1.00 0.00 H new ATOM 460 N SER A 34 -2.090 -4.020 -3.392 1.00 0.00 N ATOM 461 CA SER A 34 -2.131 -4.276 -4.822 1.00 0.00 C ATOM 462 C SER A 34 -1.639 -5.695 -5.113 1.00 0.00 C ATOM 463 O SER A 34 -2.377 -6.510 -5.665 1.00 0.00 O ATOM 464 CB SER A 34 -1.288 -3.255 -5.589 1.00 0.00 C ATOM 465 OG SER A 34 -0.266 -3.879 -6.361 1.00 0.00 O ATOM 0 H SER A 34 -1.641 -3.143 -3.128 1.00 0.00 H new ATOM 0 HA SER A 34 -3.164 -4.180 -5.157 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.934 -2.672 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.835 -2.557 -4.885 1.00 0.00 H new ATOM 0 HG SER A 34 0.034 -3.265 -7.064 1.00 0.00 H new ATOM 471 N SER A 35 -0.396 -5.948 -4.729 1.00 0.00 N ATOM 472 CA SER A 35 0.202 -7.255 -4.942 1.00 0.00 C ATOM 473 C SER A 35 1.295 -7.505 -3.901 1.00 0.00 C ATOM 474 O SER A 35 1.599 -6.630 -3.092 1.00 0.00 O ATOM 475 CB SER A 35 0.777 -7.373 -6.355 1.00 0.00 C ATOM 476 OG SER A 35 0.082 -8.344 -7.134 1.00 0.00 O ATOM 0 H SER A 35 0.213 -5.270 -4.272 1.00 0.00 H new ATOM 0 HA SER A 35 -0.576 -8.010 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.723 -6.404 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.832 -7.642 -6.296 1.00 0.00 H new ATOM 0 HG SER A 35 0.477 -8.389 -8.030 1.00 0.00 H new ATOM 482 N LEU A 36 1.857 -8.704 -3.957 1.00 0.00 N ATOM 483 CA LEU A 36 2.910 -9.081 -3.029 1.00 0.00 C ATOM 484 C LEU A 36 4.197 -9.355 -3.809 1.00 0.00 C ATOM 485 O LEU A 36 4.150 -9.706 -4.987 1.00 0.00 O ATOM 486 CB LEU A 36 2.459 -10.253 -2.155 1.00 0.00 C ATOM 487 CG LEU A 36 2.173 -9.925 -0.688 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.459 -9.953 0.141 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.437 -8.590 -0.559 1.00 0.00 C ATOM 0 H LEU A 36 1.603 -9.427 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 36 3.122 -8.263 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.558 -10.681 -2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.228 -11.024 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 36 1.515 -10.696 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.228 -9.717 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.906 -10.946 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.161 -9.217 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.246 -8.380 0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.050 -7.794 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.490 -8.643 -1.096 1.00 0.00 H new ATOM 501 N LYS A 37 5.316 -9.183 -3.121 1.00 0.00 N ATOM 502 CA LYS A 37 6.614 -9.407 -3.735 1.00 0.00 C ATOM 503 C LYS A 37 7.105 -10.812 -3.381 1.00 0.00 C ATOM 504 O LYS A 37 7.000 -11.239 -2.232 1.00 0.00 O ATOM 505 CB LYS A 37 7.591 -8.297 -3.343 1.00 0.00 C ATOM 506 CG LYS A 37 8.942 -8.486 -4.036 1.00 0.00 C ATOM 507 CD LYS A 37 9.303 -7.259 -4.876 1.00 0.00 C ATOM 508 CE LYS A 37 9.039 -7.514 -6.361 1.00 0.00 C ATOM 509 NZ LYS A 37 7.987 -6.603 -6.864 1.00 0.00 N ATOM 0 H LYS A 37 5.351 -8.891 -2.144 1.00 0.00 H new ATOM 0 HA LYS A 37 6.535 -9.361 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.172 -7.327 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.730 -8.295 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.717 -8.661 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.908 -9.370 -4.673 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.720 -6.401 -4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.353 -7.008 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.957 -7.368 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.733 -8.550 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.820 -6.789 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.107 -6.762 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.293 -5.617 -6.740 1.00 0.00 H new ATOM 523 N ASP A 38 7.631 -11.492 -4.389 1.00 0.00 N ATOM 524 CA ASP A 38 8.139 -12.840 -4.198 1.00 0.00 C ATOM 525 C ASP A 38 9.111 -12.852 -3.017 1.00 0.00 C ATOM 526 O ASP A 38 10.190 -12.265 -3.090 1.00 0.00 O ATOM 527 CB ASP A 38 8.894 -13.325 -5.437 1.00 0.00 C ATOM 528 CG ASP A 38 8.040 -14.071 -6.464 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.132 -13.421 -7.027 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.314 -15.274 -6.664 1.00 0.00 O ATOM 0 H ASP A 38 7.716 -11.135 -5.341 1.00 0.00 H new ATOM 0 HA ASP A 38 7.289 -13.497 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.353 -12.465 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.705 -13.979 -5.117 1.00 0.00 H new ATOM 535 N GLY A 39 8.695 -13.527 -1.955 1.00 0.00 N ATOM 536 CA GLY A 39 9.515 -13.622 -0.760 1.00 0.00 C ATOM 537 C GLY A 39 9.831 -12.234 -0.199 1.00 0.00 C ATOM 538 O GLY A 39 10.978 -11.944 0.140 1.00 0.00 O ATOM 0 H GLY A 39 7.800 -14.013 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.997 -14.214 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.443 -14.144 -0.992 1.00 0.00 H new ATOM 542 N GLY A 40 8.795 -11.413 -0.119 1.00 0.00 N ATOM 543 CA GLY A 40 8.947 -10.063 0.395 1.00 0.00 C ATOM 544 C GLY A 40 8.710 -10.021 1.906 1.00 0.00 C ATOM 545 O GLY A 40 8.404 -11.043 2.518 1.00 0.00 O ATOM 0 H GLY A 40 7.846 -11.657 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.948 -9.695 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.243 -9.398 -0.106 1.00 0.00 H new ATOM 549 N LYS A 41 8.861 -8.829 2.464 1.00 0.00 N ATOM 550 CA LYS A 41 8.667 -8.640 3.891 1.00 0.00 C ATOM 551 C LYS A 41 7.176 -8.751 4.218 1.00 0.00 C ATOM 552 O LYS A 41 6.781 -9.548 5.067 1.00 0.00 O ATOM 553 CB LYS A 41 9.301 -7.325 4.349 1.00 0.00 C ATOM 554 CG LYS A 41 10.826 -7.439 4.396 1.00 0.00 C ATOM 555 CD LYS A 41 11.387 -6.770 5.652 1.00 0.00 C ATOM 556 CE LYS A 41 12.075 -7.794 6.557 1.00 0.00 C ATOM 557 NZ LYS A 41 13.542 -7.601 6.537 1.00 0.00 N ATOM 0 H LYS A 41 9.116 -7.984 1.953 1.00 0.00 H new ATOM 0 HA LYS A 41 9.176 -9.424 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.013 -6.522 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.922 -7.059 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.116 -8.489 4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.257 -6.974 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.098 -5.994 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.581 -6.280 6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.703 -7.695 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.831 -8.803 6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.993 -8.304 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.894 -7.719 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.771 -6.644 6.875 1.00 0.00 H new ATOM 571 N ALA A 42 6.390 -7.939 3.526 1.00 0.00 N ATOM 572 CA ALA A 42 4.951 -7.936 3.733 1.00 0.00 C ATOM 573 C ALA A 42 4.463 -9.375 3.912 1.00 0.00 C ATOM 574 O ALA A 42 3.910 -9.720 4.955 1.00 0.00 O ATOM 575 CB ALA A 42 4.269 -7.231 2.559 1.00 0.00 C ATOM 0 H ALA A 42 6.722 -7.279 2.822 1.00 0.00 H new ATOM 0 HA ALA A 42 4.694 -7.386 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.190 -7.228 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.629 -6.204 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.502 -7.758 1.633 1.00 0.00 H new ATOM 581 N SER A 43 4.685 -10.175 2.880 1.00 0.00 N ATOM 582 CA SER A 43 4.274 -11.568 2.911 1.00 0.00 C ATOM 583 C SER A 43 4.710 -12.213 4.228 1.00 0.00 C ATOM 584 O SER A 43 3.914 -12.876 4.892 1.00 0.00 O ATOM 585 CB SER A 43 4.855 -12.340 1.724 1.00 0.00 C ATOM 586 OG SER A 43 6.227 -12.024 1.502 1.00 0.00 O ATOM 0 H SER A 43 5.144 -9.885 2.017 1.00 0.00 H new ATOM 0 HA SER A 43 3.187 -11.606 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.754 -13.410 1.903 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.280 -12.111 0.826 1.00 0.00 H new ATOM 0 HG SER A 43 6.542 -11.422 2.208 1.00 0.00 H new ATOM 592 N GLN A 44 5.972 -11.996 4.567 1.00 0.00 N ATOM 593 CA GLN A 44 6.523 -12.548 5.793 1.00 0.00 C ATOM 594 C GLN A 44 5.806 -11.958 7.010 1.00 0.00 C ATOM 595 O GLN A 44 5.806 -12.556 8.085 1.00 0.00 O ATOM 596 CB GLN A 44 8.031 -12.305 5.875 1.00 0.00 C ATOM 597 CG GLN A 44 8.780 -13.154 4.845 1.00 0.00 C ATOM 598 CD GLN A 44 9.935 -13.915 5.497 1.00 0.00 C ATOM 599 OE1 GLN A 44 9.759 -14.952 6.115 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.124 -13.344 5.326 1.00 0.00 N ATOM 0 H GLN A 44 6.629 -11.445 4.014 1.00 0.00 H new ATOM 0 HA GLN A 44 6.362 -13.626 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.243 -11.249 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.388 -12.544 6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.091 -13.860 4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.164 -12.514 4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.201 -12.475 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.959 -13.775 5.724 1.00 0.00 H new ATOM 609 N ALA A 45 5.213 -10.792 6.799 1.00 0.00 N ATOM 610 CA ALA A 45 4.494 -10.115 7.865 1.00 0.00 C ATOM 611 C ALA A 45 3.028 -10.551 7.842 1.00 0.00 C ATOM 612 O ALA A 45 2.173 -9.897 8.438 1.00 0.00 O ATOM 613 CB ALA A 45 4.655 -8.602 7.708 1.00 0.00 C ATOM 0 H ALA A 45 5.216 -10.299 5.906 1.00 0.00 H new ATOM 0 HA ALA A 45 4.904 -10.387 8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.116 -8.094 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.712 -8.341 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.252 -8.291 6.744 1.00 0.00 H new ATOM 619 N HIS A 46 2.781 -11.653 7.149 1.00 0.00 N ATOM 620 CA HIS A 46 1.433 -12.184 7.041 1.00 0.00 C ATOM 621 C HIS A 46 0.518 -11.135 6.405 1.00 0.00 C ATOM 622 O HIS A 46 -0.554 -10.841 6.930 1.00 0.00 O ATOM 623 CB HIS A 46 0.928 -12.663 8.403 1.00 0.00 C ATOM 624 CG HIS A 46 1.524 -13.976 8.852 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.752 -15.066 9.213 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.825 -14.362 8.993 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.561 -16.057 9.555 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.846 -15.619 9.419 1.00 0.00 N ATOM 0 H HIS A 46 3.492 -12.193 6.656 1.00 0.00 H new ATOM 0 HA HIS A 46 1.433 -13.058 6.390 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.150 -11.901 9.150 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.157 -12.763 8.362 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.691 -13.749 8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.257 -17.040 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.684 -16.167 9.613 1.00 0.00 H new ATOM 636 N VAL A 47 0.976 -10.601 5.282 1.00 0.00 N ATOM 637 CA VAL A 47 0.212 -9.591 4.568 1.00 0.00 C ATOM 638 C VAL A 47 -0.343 -10.196 3.277 1.00 0.00 C ATOM 639 O VAL A 47 0.369 -10.298 2.279 1.00 0.00 O ATOM 640 CB VAL A 47 1.079 -8.354 4.325 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.413 -7.407 3.324 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.388 -7.635 5.639 1.00 0.00 C ATOM 0 H VAL A 47 1.866 -10.848 4.849 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.639 -9.262 5.165 1.00 0.00 H new ATOM 0 HB VAL A 47 2.024 -8.685 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.049 -6.536 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.268 -7.924 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.553 -7.086 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.006 -6.760 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.456 -7.322 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.923 -8.311 6.307 1.00 0.00 H new ATOM 652 N ARG A 48 -1.609 -10.582 3.338 1.00 0.00 N ATOM 653 CA ARG A 48 -2.267 -11.174 2.186 1.00 0.00 C ATOM 654 C ARG A 48 -2.882 -10.083 1.307 1.00 0.00 C ATOM 655 O ARG A 48 -3.002 -8.934 1.730 1.00 0.00 O ATOM 656 CB ARG A 48 -3.364 -12.149 2.619 1.00 0.00 C ATOM 657 CG ARG A 48 -2.761 -13.417 3.227 1.00 0.00 C ATOM 658 CD ARG A 48 -1.628 -13.960 2.353 1.00 0.00 C ATOM 659 NE ARG A 48 -0.326 -13.455 2.842 1.00 0.00 N ATOM 660 CZ ARG A 48 0.422 -14.075 3.765 1.00 0.00 C ATOM 661 NH1 ARG A 48 0.000 -15.227 4.305 1.00 0.00 N ATOM 662 NH2 ARG A 48 1.590 -13.544 4.149 1.00 0.00 N ATOM 0 H ARG A 48 -2.196 -10.496 4.167 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.514 -11.721 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.017 -11.667 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.982 -12.411 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.383 -13.201 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.536 -14.176 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.635 -15.050 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.779 -13.657 1.317 1.00 0.00 H new ATOM 0 HE ARG A 48 0.024 -12.580 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.890 -15.631 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.569 -15.699 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.911 -12.667 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.159 -14.017 4.852 1.00 0.00 H new ATOM 676 N ILE A 49 -3.257 -10.481 0.100 1.00 0.00 N ATOM 677 CA ILE A 49 -3.857 -9.551 -0.842 1.00 0.00 C ATOM 678 C ILE A 49 -5.278 -9.215 -0.384 1.00 0.00 C ATOM 679 O ILE A 49 -6.049 -10.108 -0.034 1.00 0.00 O ATOM 680 CB ILE A 49 -3.784 -10.109 -2.265 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.345 -10.101 -2.784 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.735 -9.356 -3.197 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.314 -10.079 -4.313 1.00 0.00 C ATOM 0 H ILE A 49 -3.157 -11.435 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.299 -8.615 -0.863 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.111 -11.149 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.819 -9.230 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.818 -10.982 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.664 -9.772 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.757 -9.458 -2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.462 -8.301 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.279 -10.074 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.820 -10.964 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.821 -9.184 -4.674 1.00 0.00 H new ATOM 695 N GLY A 50 -5.582 -7.926 -0.403 1.00 0.00 N ATOM 696 CA GLY A 50 -6.896 -7.460 0.005 1.00 0.00 C ATOM 697 C GLY A 50 -6.833 -6.761 1.364 1.00 0.00 C ATOM 698 O GLY A 50 -7.806 -6.145 1.795 1.00 0.00 O ATOM 0 H GLY A 50 -4.940 -7.189 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.290 -6.773 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.585 -8.303 0.058 1.00 0.00 H new ATOM 702 N ASP A 51 -5.678 -6.880 2.002 1.00 0.00 N ATOM 703 CA ASP A 51 -5.474 -6.267 3.303 1.00 0.00 C ATOM 704 C ASP A 51 -5.699 -4.758 3.192 1.00 0.00 C ATOM 705 O ASP A 51 -5.073 -4.092 2.369 1.00 0.00 O ATOM 706 CB ASP A 51 -4.047 -6.497 3.804 1.00 0.00 C ATOM 707 CG ASP A 51 -3.716 -7.944 4.173 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.468 -8.832 3.716 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.719 -8.130 4.903 1.00 0.00 O ATOM 0 H ASP A 51 -4.873 -7.392 1.642 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.178 -6.719 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.350 -6.166 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.879 -5.868 4.678 1.00 0.00 H new ATOM 714 N VAL A 52 -6.595 -4.262 4.032 1.00 0.00 N ATOM 715 CA VAL A 52 -6.911 -2.843 4.039 1.00 0.00 C ATOM 716 C VAL A 52 -6.034 -2.135 5.073 1.00 0.00 C ATOM 717 O VAL A 52 -5.951 -2.567 6.222 1.00 0.00 O ATOM 718 CB VAL A 52 -8.407 -2.641 4.284 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.740 -1.157 4.448 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.237 -3.269 3.163 1.00 0.00 C ATOM 0 H VAL A 52 -7.113 -4.817 4.713 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.692 -2.398 3.068 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.665 -3.147 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.810 -1.041 4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.189 -0.752 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.458 -0.619 3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.297 -3.111 3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.974 -2.806 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.033 -4.339 3.115 1.00 0.00 H new ATOM 730 N VAL A 53 -5.402 -1.058 4.629 1.00 0.00 N ATOM 731 CA VAL A 53 -4.535 -0.286 5.502 1.00 0.00 C ATOM 732 C VAL A 53 -5.379 0.705 6.306 1.00 0.00 C ATOM 733 O VAL A 53 -5.824 1.721 5.774 1.00 0.00 O ATOM 734 CB VAL A 53 -3.436 0.392 4.681 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.530 1.243 5.575 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.622 -0.638 3.897 1.00 0.00 C ATOM 0 H VAL A 53 -5.473 -0.702 3.676 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.033 -0.939 6.216 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.916 1.056 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.757 1.714 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.124 2.013 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.063 0.609 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.848 -0.129 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.157 -1.339 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.280 -1.181 3.218 1.00 0.00 H new ATOM 746 N LEU A 54 -5.574 0.375 7.574 1.00 0.00 N ATOM 747 CA LEU A 54 -6.357 1.224 8.456 1.00 0.00 C ATOM 748 C LEU A 54 -5.588 2.519 8.726 1.00 0.00 C ATOM 749 O LEU A 54 -6.158 3.607 8.668 1.00 0.00 O ATOM 750 CB LEU A 54 -6.745 0.463 9.726 1.00 0.00 C ATOM 751 CG LEU A 54 -7.647 -0.756 9.528 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.596 -1.680 10.746 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.078 -0.331 9.190 1.00 0.00 C ATOM 0 H LEU A 54 -5.203 -0.468 8.012 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.297 1.504 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.832 0.137 10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.247 1.156 10.402 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.271 -1.324 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.246 -2.539 10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.573 -2.024 10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.932 -1.137 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.698 -1.217 9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.480 0.272 10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.076 0.255 8.271 1.00 0.00 H new ATOM 765 N SER A 55 -4.305 2.358 9.015 1.00 0.00 N ATOM 766 CA SER A 55 -3.452 3.501 9.294 1.00 0.00 C ATOM 767 C SER A 55 -2.166 3.408 8.470 1.00 0.00 C ATOM 768 O SER A 55 -1.917 2.398 7.813 1.00 0.00 O ATOM 769 CB SER A 55 -3.122 3.591 10.785 1.00 0.00 C ATOM 770 OG SER A 55 -2.409 2.446 11.244 1.00 0.00 O ATOM 0 H SER A 55 -3.836 1.454 9.062 1.00 0.00 H new ATOM 0 HA SER A 55 -3.991 4.406 9.014 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.529 4.486 10.972 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.045 3.696 11.355 1.00 0.00 H new ATOM 0 HG SER A 55 -2.091 2.603 12.158 1.00 0.00 H new ATOM 776 N ILE A 56 -1.382 4.474 8.533 1.00 0.00 N ATOM 777 CA ILE A 56 -0.128 4.526 7.801 1.00 0.00 C ATOM 778 C ILE A 56 0.896 5.325 8.608 1.00 0.00 C ATOM 779 O ILE A 56 0.964 6.548 8.494 1.00 0.00 O ATOM 780 CB ILE A 56 -0.354 5.066 6.387 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.860 3.964 5.453 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.910 5.738 5.848 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.254 4.538 4.091 1.00 0.00 C ATOM 0 H ILE A 56 -1.591 5.309 9.080 1.00 0.00 H new ATOM 0 HA ILE A 56 0.279 3.523 7.672 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.130 5.830 6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.085 3.208 5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.718 3.466 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.722 6.113 4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.187 6.568 6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.723 5.013 5.819 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.610 3.734 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.046 5.275 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.387 5.014 3.632 1.00 0.00 H new ATOM 795 N ASP A 57 1.668 4.602 9.406 1.00 0.00 N ATOM 796 CA ASP A 57 2.686 5.229 10.232 1.00 0.00 C ATOM 797 C ASP A 57 2.011 6.001 11.367 1.00 0.00 C ATOM 798 O ASP A 57 2.395 7.129 11.670 1.00 0.00 O ATOM 799 CB ASP A 57 3.522 6.218 9.419 1.00 0.00 C ATOM 800 CG ASP A 57 4.991 6.321 9.837 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.414 5.460 10.639 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.657 7.257 9.346 1.00 0.00 O ATOM 0 H ASP A 57 1.609 3.588 9.498 1.00 0.00 H new ATOM 0 HA ASP A 57 3.334 4.444 10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.478 5.930 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.067 7.206 9.498 1.00 0.00 H new ATOM 807 N GLY A 58 1.016 5.361 11.966 1.00 0.00 N ATOM 808 CA GLY A 58 0.284 5.974 13.061 1.00 0.00 C ATOM 809 C GLY A 58 -0.684 7.040 12.545 1.00 0.00 C ATOM 810 O GLY A 58 -1.321 7.738 13.332 1.00 0.00 O ATOM 0 H GLY A 58 0.700 4.425 11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.269 5.209 13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.985 6.424 13.765 1.00 0.00 H new ATOM 814 N ILE A 59 -0.763 7.133 11.226 1.00 0.00 N ATOM 815 CA ILE A 59 -1.643 8.103 10.595 1.00 0.00 C ATOM 816 C ILE A 59 -2.889 7.388 10.070 1.00 0.00 C ATOM 817 O ILE A 59 -2.792 6.305 9.494 1.00 0.00 O ATOM 818 CB ILE A 59 -0.889 8.892 9.523 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.425 9.450 10.076 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.773 9.991 8.929 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.211 10.822 10.719 1.00 0.00 C ATOM 0 H ILE A 59 -0.232 6.553 10.576 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.981 8.841 11.322 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.634 8.210 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.836 8.759 10.812 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.157 9.531 9.272 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.214 10.537 8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.657 9.542 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.079 10.678 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.160 11.196 11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.177 11.516 9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.503 10.733 11.538 1.00 0.00 H new ATOM 833 N SER A 60 -4.032 8.023 10.286 1.00 0.00 N ATOM 834 CA SER A 60 -5.296 7.461 9.842 1.00 0.00 C ATOM 835 C SER A 60 -5.358 7.457 8.313 1.00 0.00 C ATOM 836 O SER A 60 -5.260 8.508 7.681 1.00 0.00 O ATOM 837 CB SER A 60 -6.479 8.242 10.419 1.00 0.00 C ATOM 838 OG SER A 60 -7.692 7.963 9.725 1.00 0.00 O ATOM 0 H SER A 60 -4.109 8.921 10.763 1.00 0.00 H new ATOM 0 HA SER A 60 -5.361 6.435 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.599 7.992 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.269 9.310 10.366 1.00 0.00 H new ATOM 0 HG SER A 60 -8.423 8.479 10.124 1.00 0.00 H new ATOM 844 N ALA A 61 -5.520 6.262 7.763 1.00 0.00 N ATOM 845 CA ALA A 61 -5.596 6.107 6.320 1.00 0.00 C ATOM 846 C ALA A 61 -7.056 5.912 5.908 1.00 0.00 C ATOM 847 O ALA A 61 -7.356 5.100 5.035 1.00 0.00 O ATOM 848 CB ALA A 61 -4.706 4.941 5.884 1.00 0.00 C ATOM 0 H ALA A 61 -5.601 5.393 8.290 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.229 7.002 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.763 4.825 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.675 5.142 6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.046 4.024 6.366 1.00 0.00 H new ATOM 854 N GLN A 62 -7.927 6.671 6.558 1.00 0.00 N ATOM 855 CA GLN A 62 -9.349 6.591 6.270 1.00 0.00 C ATOM 856 C GLN A 62 -9.719 7.563 5.147 1.00 0.00 C ATOM 857 O GLN A 62 -10.402 7.186 4.196 1.00 0.00 O ATOM 858 CB GLN A 62 -10.179 6.865 7.526 1.00 0.00 C ATOM 859 CG GLN A 62 -11.043 5.655 7.887 1.00 0.00 C ATOM 860 CD GLN A 62 -11.418 5.671 9.370 1.00 0.00 C ATOM 861 OE1 GLN A 62 -12.335 6.352 9.798 1.00 0.00 O ATOM 862 NE2 GLN A 62 -10.658 4.885 10.128 1.00 0.00 N ATOM 0 H GLN A 62 -7.675 7.344 7.282 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.576 5.578 5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.517 7.105 8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.815 7.735 7.363 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.948 5.656 7.280 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.504 4.737 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.906 4.341 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.827 4.826 11.132 1.00 0.00 H new ATOM 871 N GLY A 63 -9.250 8.793 5.294 1.00 0.00 N ATOM 872 CA GLY A 63 -9.523 9.821 4.304 1.00 0.00 C ATOM 873 C GLY A 63 -8.240 10.247 3.588 1.00 0.00 C ATOM 874 O GLY A 63 -7.924 11.434 3.525 1.00 0.00 O ATOM 0 H GLY A 63 -8.683 9.101 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.243 9.448 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.978 10.685 4.788 1.00 0.00 H new ATOM 878 N MET A 64 -7.534 9.255 3.067 1.00 0.00 N ATOM 879 CA MET A 64 -6.292 9.512 2.358 1.00 0.00 C ATOM 880 C MET A 64 -6.287 8.821 0.993 1.00 0.00 C ATOM 881 O MET A 64 -6.675 7.659 0.879 1.00 0.00 O ATOM 882 CB MET A 64 -5.113 9.004 3.191 1.00 0.00 C ATOM 883 CG MET A 64 -4.839 9.933 4.375 1.00 0.00 C ATOM 884 SD MET A 64 -3.079 10.114 4.615 1.00 0.00 S ATOM 885 CE MET A 64 -2.721 8.579 5.453 1.00 0.00 C ATOM 0 H MET A 64 -7.798 8.271 3.122 1.00 0.00 H new ATOM 0 HA MET A 64 -6.201 10.587 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.326 7.999 3.554 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.224 8.935 2.565 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.292 10.908 4.195 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.298 9.530 5.278 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.643 8.419 5.474 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.101 8.624 6.474 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.200 7.755 4.924 1.00 0.00 H new ATOM 895 N THR A 65 -5.843 9.565 -0.010 1.00 0.00 N ATOM 896 CA THR A 65 -5.782 9.039 -1.363 1.00 0.00 C ATOM 897 C THR A 65 -4.538 8.166 -1.540 1.00 0.00 C ATOM 898 O THR A 65 -3.627 8.203 -0.715 1.00 0.00 O ATOM 899 CB THR A 65 -5.839 10.220 -2.333 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.551 10.821 -2.224 1.00 0.00 O ATOM 901 CG2 THR A 65 -6.802 11.315 -1.867 1.00 0.00 C ATOM 0 H THR A 65 -5.522 10.528 0.088 1.00 0.00 H new ATOM 0 HA THR A 65 -6.630 8.387 -1.573 1.00 0.00 H new ATOM 0 HB THR A 65 -6.142 9.866 -3.318 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.500 11.596 -2.822 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.805 12.130 -2.591 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.807 10.903 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.481 11.693 -0.897 1.00 0.00 H new ATOM 909 N HIS A 66 -4.540 7.402 -2.623 1.00 0.00 N ATOM 910 CA HIS A 66 -3.423 6.521 -2.919 1.00 0.00 C ATOM 911 C HIS A 66 -2.109 7.289 -2.763 1.00 0.00 C ATOM 912 O HIS A 66 -1.183 6.815 -2.107 1.00 0.00 O ATOM 913 CB HIS A 66 -3.581 5.891 -4.304 1.00 0.00 C ATOM 914 CG HIS A 66 -2.888 4.557 -4.455 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.253 4.170 -5.621 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.738 3.527 -3.574 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.747 2.959 -5.440 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.049 2.562 -4.170 1.00 0.00 N ATOM 0 H HIS A 66 -5.297 7.375 -3.306 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.407 5.695 -2.208 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.643 5.763 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.188 6.580 -5.052 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.186 4.723 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.116 3.501 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.193 2.387 -6.169 1.00 0.00 H new ATOM 926 N LEU A 67 -2.070 8.462 -3.377 1.00 0.00 N ATOM 927 CA LEU A 67 -0.885 9.301 -3.315 1.00 0.00 C ATOM 928 C LEU A 67 -0.547 9.591 -1.851 1.00 0.00 C ATOM 929 O LEU A 67 0.574 9.343 -1.408 1.00 0.00 O ATOM 930 CB LEU A 67 -1.074 10.560 -4.164 1.00 0.00 C ATOM 931 CG LEU A 67 -0.501 11.853 -3.581 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.434 12.436 -2.518 1.00 0.00 C ATOM 933 CD2 LEU A 67 0.914 11.633 -3.042 1.00 0.00 C ATOM 0 H LEU A 67 -2.840 8.852 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.028 8.782 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.616 10.390 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.141 10.703 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.429 12.586 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.003 13.355 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.404 12.654 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.561 11.715 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.297 12.568 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.891 10.877 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.563 11.297 -3.851 1.00 0.00 H new ATOM 945 N GLU A 68 -1.536 10.112 -1.141 1.00 0.00 N ATOM 946 CA GLU A 68 -1.358 10.438 0.264 1.00 0.00 C ATOM 947 C GLU A 68 -0.654 9.290 0.990 1.00 0.00 C ATOM 948 O GLU A 68 0.399 9.487 1.595 1.00 0.00 O ATOM 949 CB GLU A 68 -2.698 10.765 0.925 1.00 0.00 C ATOM 950 CG GLU A 68 -3.198 12.146 0.498 1.00 0.00 C ATOM 951 CD GLU A 68 -2.590 13.244 1.373 1.00 0.00 C ATOM 952 OE1 GLU A 68 -3.118 13.438 2.489 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.610 13.865 0.906 1.00 0.00 O ATOM 0 H GLU A 68 -2.464 10.317 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.730 11.326 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.435 10.008 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.590 10.733 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.940 12.323 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.285 12.181 0.568 1.00 0.00 H new ATOM 960 N ALA A 69 -1.263 8.117 0.907 1.00 0.00 N ATOM 961 CA ALA A 69 -0.707 6.938 1.549 1.00 0.00 C ATOM 962 C ALA A 69 0.717 6.709 1.040 1.00 0.00 C ATOM 963 O ALA A 69 1.647 6.564 1.832 1.00 0.00 O ATOM 964 CB ALA A 69 -1.619 5.737 1.289 1.00 0.00 C ATOM 0 H ALA A 69 -2.136 7.957 0.405 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.653 7.079 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.202 4.853 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.610 5.938 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.695 5.564 0.216 1.00 0.00 H new ATOM 970 N GLN A 70 0.844 6.684 -0.279 1.00 0.00 N ATOM 971 CA GLN A 70 2.139 6.475 -0.903 1.00 0.00 C ATOM 972 C GLN A 70 3.158 7.477 -0.358 1.00 0.00 C ATOM 973 O GLN A 70 4.272 7.101 0.005 1.00 0.00 O ATOM 974 CB GLN A 70 2.036 6.571 -2.426 1.00 0.00 C ATOM 975 CG GLN A 70 1.066 5.524 -2.977 1.00 0.00 C ATOM 976 CD GLN A 70 1.821 4.382 -3.661 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.552 3.628 -3.040 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.605 4.298 -4.970 1.00 0.00 N ATOM 0 H GLN A 70 0.070 6.805 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 70 2.480 5.469 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.699 7.568 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.021 6.429 -2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.455 5.127 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.386 5.992 -3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.980 4.962 -5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.064 3.569 -5.517 1.00 0.00 H new ATOM 987 N ASN A 71 2.741 8.734 -0.318 1.00 0.00 N ATOM 988 CA ASN A 71 3.604 9.794 0.177 1.00 0.00 C ATOM 989 C ASN A 71 4.146 9.403 1.553 1.00 0.00 C ATOM 990 O ASN A 71 5.348 9.498 1.800 1.00 0.00 O ATOM 991 CB ASN A 71 2.833 11.106 0.328 1.00 0.00 C ATOM 992 CG ASN A 71 3.283 12.131 -0.715 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.407 12.119 -1.189 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.346 13.014 -1.046 1.00 0.00 N ATOM 0 H ASN A 71 1.817 9.043 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 71 4.414 9.932 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.765 10.918 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.987 11.509 1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.548 13.738 -1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.425 12.967 -0.611 1.00 0.00 H new ATOM 1001 N LYS A 72 3.235 8.971 2.412 1.00 0.00 N ATOM 1002 CA LYS A 72 3.608 8.565 3.757 1.00 0.00 C ATOM 1003 C LYS A 72 4.613 7.415 3.678 1.00 0.00 C ATOM 1004 O LYS A 72 5.721 7.518 4.202 1.00 0.00 O ATOM 1005 CB LYS A 72 2.361 8.238 4.582 1.00 0.00 C ATOM 1006 CG LYS A 72 1.801 9.494 5.252 1.00 0.00 C ATOM 1007 CD LYS A 72 2.379 9.669 6.658 1.00 0.00 C ATOM 1008 CE LYS A 72 1.858 10.952 7.308 1.00 0.00 C ATOM 1009 NZ LYS A 72 2.765 11.389 8.393 1.00 0.00 N ATOM 0 H LYS A 72 2.240 8.893 2.203 1.00 0.00 H new ATOM 0 HA LYS A 72 4.102 9.384 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.601 7.795 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.607 7.496 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.036 10.369 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.714 9.427 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.112 8.810 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.467 9.699 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.774 11.738 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.858 10.784 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.278 12.084 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.040 10.567 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.615 11.823 7.981 1.00 0.00 H new ATOM 1023 N ILE A 73 4.190 6.346 3.019 1.00 0.00 N ATOM 1024 CA ILE A 73 5.040 5.178 2.865 1.00 0.00 C ATOM 1025 C ILE A 73 6.405 5.612 2.328 1.00 0.00 C ATOM 1026 O ILE A 73 7.437 5.100 2.758 1.00 0.00 O ATOM 1027 CB ILE A 73 4.347 4.122 2.001 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.136 3.530 2.725 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.336 3.041 1.559 1.00 0.00 C ATOM 1030 CD1 ILE A 73 1.930 3.437 1.789 1.00 0.00 C ATOM 0 H ILE A 73 3.270 6.264 2.586 1.00 0.00 H new ATOM 0 HA ILE A 73 5.214 4.704 3.831 1.00 0.00 H new ATOM 0 HB ILE A 73 3.976 4.608 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.384 2.539 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.885 4.148 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.818 2.303 0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.138 3.497 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.757 2.552 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.083 3.013 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.670 4.433 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.176 2.799 0.941 1.00 0.00 H new ATOM 1042 N LYS A 74 6.366 6.553 1.395 1.00 0.00 N ATOM 1043 CA LYS A 74 7.587 7.062 0.795 1.00 0.00 C ATOM 1044 C LYS A 74 8.407 7.794 1.859 1.00 0.00 C ATOM 1045 O LYS A 74 9.637 7.788 1.813 1.00 0.00 O ATOM 1046 CB LYS A 74 7.265 7.920 -0.431 1.00 0.00 C ATOM 1047 CG LYS A 74 8.216 7.604 -1.587 1.00 0.00 C ATOM 1048 CD LYS A 74 8.260 8.758 -2.591 1.00 0.00 C ATOM 1049 CE LYS A 74 9.391 8.562 -3.602 1.00 0.00 C ATOM 1050 NZ LYS A 74 9.917 9.870 -4.052 1.00 0.00 N ATOM 0 H LYS A 74 5.508 6.976 1.040 1.00 0.00 H new ATOM 0 HA LYS A 74 8.202 6.240 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.236 7.743 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.342 8.976 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.217 7.417 -1.198 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.893 6.692 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.307 8.825 -3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.400 9.700 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.192 7.977 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.026 7.996 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.684 9.718 -4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.154 10.415 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.284 10.397 -3.234 1.00 0.00 H new ATOM 1064 N ALA A 75 7.694 8.406 2.792 1.00 0.00 N ATOM 1065 CA ALA A 75 8.340 9.141 3.866 1.00 0.00 C ATOM 1066 C ALA A 75 9.076 8.159 4.780 1.00 0.00 C ATOM 1067 O ALA A 75 10.069 8.517 5.410 1.00 0.00 O ATOM 1068 CB ALA A 75 7.296 9.968 4.620 1.00 0.00 C ATOM 0 H ALA A 75 6.675 8.408 2.827 1.00 0.00 H new ATOM 0 HA ALA A 75 9.078 9.835 3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.781 10.519 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.823 10.670 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.539 9.304 5.039 1.00 0.00 H new ATOM 1106 N SER A 79 11.449 2.178 8.583 1.00 0.00 N ATOM 1107 CA SER A 79 10.501 1.092 8.765 1.00 0.00 C ATOM 1108 C SER A 79 9.084 1.576 8.451 1.00 0.00 C ATOM 1109 O SER A 79 8.815 2.776 8.474 1.00 0.00 O ATOM 1110 CB SER A 79 10.568 0.535 10.188 1.00 0.00 C ATOM 1111 OG SER A 79 10.982 1.522 11.129 1.00 0.00 O ATOM 0 HA SER A 79 10.765 0.289 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.589 0.150 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.261 -0.306 10.216 1.00 0.00 H new ATOM 0 HG SER A 79 11.404 2.269 10.655 1.00 0.00 H new ATOM 1117 N LEU A 80 8.215 0.617 8.165 1.00 0.00 N ATOM 1118 CA LEU A 80 6.832 0.930 7.847 1.00 0.00 C ATOM 1119 C LEU A 80 5.922 0.363 8.937 1.00 0.00 C ATOM 1120 O LEU A 80 5.881 -0.848 9.150 1.00 0.00 O ATOM 1121 CB LEU A 80 6.483 0.444 6.439 1.00 0.00 C ATOM 1122 CG LEU A 80 5.306 1.147 5.759 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.636 2.612 5.470 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.875 0.397 4.497 1.00 0.00 C ATOM 0 H LEU A 80 8.442 -0.377 8.147 1.00 0.00 H new ATOM 0 HA LEU A 80 6.679 2.009 7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.364 0.560 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.264 -0.623 6.488 1.00 0.00 H new ATOM 0 HG LEU A 80 4.459 1.137 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.783 3.089 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.857 3.126 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.503 2.667 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.037 0.917 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.709 0.355 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.572 -0.616 4.762 1.00 0.00 H new ATOM 1136 N ASN A 81 5.213 1.265 9.600 1.00 0.00 N ATOM 1137 CA ASN A 81 4.305 0.870 10.664 1.00 0.00 C ATOM 1138 C ASN A 81 2.873 1.233 10.267 1.00 0.00 C ATOM 1139 O ASN A 81 2.493 2.403 10.304 1.00 0.00 O ATOM 1140 CB ASN A 81 4.634 1.599 11.968 1.00 0.00 C ATOM 1141 CG ASN A 81 5.403 0.688 12.927 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.868 0.166 13.891 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.684 0.527 12.610 1.00 0.00 N ATOM 0 H ASN A 81 5.249 2.269 9.421 1.00 0.00 H new ATOM 0 HA ASN A 81 4.410 -0.204 10.816 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.226 2.488 11.752 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.713 1.937 12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.282 -0.063 13.188 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.069 0.993 11.788 1.00 0.00 H new ATOM 1150 N MET A 82 2.118 0.210 9.897 1.00 0.00 N ATOM 1151 CA MET A 82 0.736 0.407 9.494 1.00 0.00 C ATOM 1152 C MET A 82 -0.156 -0.717 10.026 1.00 0.00 C ATOM 1153 O MET A 82 0.311 -1.834 10.246 1.00 0.00 O ATOM 1154 CB MET A 82 0.650 0.447 7.967 1.00 0.00 C ATOM 1155 CG MET A 82 1.821 1.232 7.373 1.00 0.00 C ATOM 1156 SD MET A 82 1.694 1.264 5.593 1.00 0.00 S ATOM 1157 CE MET A 82 1.856 -0.478 5.239 1.00 0.00 C ATOM 0 H MET A 82 2.437 -0.758 9.868 1.00 0.00 H new ATOM 0 HA MET A 82 0.387 1.351 9.912 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.651 -0.569 7.572 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.291 0.906 7.664 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.823 2.249 7.764 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.765 0.774 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.221 -0.610 4.220 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.561 -0.927 5.938 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.885 -0.962 5.342 1.00 0.00 H new ATOM 1167 N THR A 83 -1.424 -0.383 10.217 1.00 0.00 N ATOM 1168 CA THR A 83 -2.385 -1.350 10.719 1.00 0.00 C ATOM 1169 C THR A 83 -3.192 -1.948 9.565 1.00 0.00 C ATOM 1170 O THR A 83 -3.454 -1.273 8.570 1.00 0.00 O ATOM 1171 CB THR A 83 -3.252 -0.654 11.770 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.320 0.087 12.553 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.874 -1.638 12.762 1.00 0.00 C ATOM 0 H THR A 83 -1.808 0.544 10.033 1.00 0.00 H new ATOM 0 HA THR A 83 -1.885 -2.193 11.196 1.00 0.00 H new ATOM 0 HB THR A 83 -4.043 -0.092 11.273 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.031 0.880 12.054 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.479 -1.092 13.486 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.504 -2.347 12.225 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.083 -2.177 13.284 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.564 -3.209 9.736 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.336 -3.905 8.721 1.00 0.00 C ATOM 1183 C LEU A 84 -5.720 -4.240 9.279 1.00 0.00 C ATOM 1184 O LEU A 84 -5.944 -4.155 10.486 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.568 -5.125 8.207 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.205 -4.841 7.573 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.709 -6.049 6.775 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.249 -3.571 6.722 1.00 0.00 C ATOM 0 H LEU A 84 -3.345 -3.766 10.562 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.489 -3.264 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.423 -5.815 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.189 -5.637 7.472 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.486 -4.667 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.738 -5.821 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.613 -6.909 7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.421 -6.279 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.267 -3.393 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.985 -3.691 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.526 -2.723 7.348 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.613 -4.614 8.375 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.970 -4.963 8.763 1.00 0.00 C ATOM 1202 C GLN A 85 -8.258 -6.427 8.427 1.00 0.00 C ATOM 1203 O GLN A 85 -7.884 -6.908 7.359 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.986 -4.036 8.093 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.396 -4.627 8.163 1.00 0.00 C ATOM 1206 CD GLN A 85 -10.832 -5.169 6.800 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -10.384 -6.207 6.343 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.730 -4.409 6.178 1.00 0.00 N ATOM 0 H GLN A 85 -6.424 -4.683 7.375 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.064 -4.833 9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.972 -3.061 8.581 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.706 -3.876 7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.422 -5.428 8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.098 -3.863 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.064 -3.551 6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.085 -4.685 5.262 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.921 -7.096 9.360 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.264 -8.496 9.176 1.00 0.00 C ATOM 1219 C ARG A 86 -10.459 -8.630 8.231 1.00 0.00 C ATOM 1220 O ARG A 86 -11.301 -7.736 8.158 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.602 -9.159 10.513 1.00 0.00 C ATOM 1222 CG ARG A 86 -11.049 -8.872 10.917 1.00 0.00 C ATOM 1223 CD ARG A 86 -11.274 -7.373 11.122 1.00 0.00 C ATOM 1224 NE ARG A 86 -12.603 -7.139 11.729 1.00 0.00 N ATOM 1225 CZ ARG A 86 -13.742 -7.039 11.029 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -13.719 -7.153 9.694 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -14.902 -6.826 11.663 1.00 0.00 N ATOM 0 H ARG A 86 -9.229 -6.694 10.245 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.398 -8.996 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.448 -10.236 10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.926 -8.793 11.286 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.726 -9.243 10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.287 -9.408 11.836 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.494 -6.964 11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.205 -6.853 10.167 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.656 -7.048 12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.835 -7.316 9.211 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.585 -7.077 9.161 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.919 -6.740 12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.768 -6.750 11.130 1.00 0.00 H new