USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 745 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 462 GLN :FLIP amide:sc= -4.11! C(o=-2.8!,f=-2!) USER MOD Set 1.2: A 532 ASN : amide:sc= 0.366 K(o=-2,f=-7.4) USER MOD Set 1.3: A 533 SER OG : rot -45:sc= 1.26 USER MOD Set 1.4: A 534 THR OG1 : rot 104:sc= 0.478 USER MOD Set 2.1: A 463 SER OG : rot 5:sc= 0.0495 USER MOD Set 2.2: A 488 THR OG1 : rot 8:sc= 0.179 USER MOD Single : A 436 THR OG1 : rot 105:sc= 1.32 USER MOD Single : A 437 SER OG : rot -39:sc= 0.26 USER MOD Single : A 456 ASN : amide:sc= 0.21 K(o=0.21,f=-7.2!) USER MOD Single : A 457 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 SER OG : rot 180:sc= -0.0871 USER MOD Single : A 459 ASN : amide:sc= 0.116 K(o=0.12,f=-1.4!) USER MOD Single : A 464 MET CE :methyl 165:sc= -1.6 (180deg=-2.63) USER MOD Single : A 466 ASN :FLIP amide:sc=-0.00683 F(o=-0.86,f=-0.0068) USER MOD Single : A 468 GLN : amide:sc=-0.00191 K(o=-0.0019,f=-1.1) USER MOD Single : A 470 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 472 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.97) USER MOD Single : A 480 THR OG1 : rot 17:sc= 0.39 USER MOD Single : A 481 TYR OH : rot 130:sc= 0 USER MOD Single : A 486 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0369) USER MOD Single : A 490 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00746) USER MOD Single : A 493 GLN :FLIP amide:sc= -6! C(o=-7!,f=-6!) USER MOD Single : A 496 THR OG1 : rot 180:sc= 0 USER MOD Single : A 505 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 HIS :FLIP no HE2:sc= 0.00244 F(o=-0.8,f=0.0024) USER MOD Single : A 507 SER OG : rot -102:sc= 0.00189 USER MOD Single : A 510 THR OG1 : rot 14:sc= 1.27 USER MOD Single : A 515 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0147) USER MOD Single : A 517 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 528 THR OG1 : rot -160:sc= 0 USER MOD Single : A 540 MET CE :methyl -159:sc= -0.5 (180deg=-1.22) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 434 -3.069 -5.975 -9.359 1.00 0.55 N ATOM 89 CA ALA A 434 -3.284 -5.989 -7.928 1.00 0.55 C ATOM 90 C ALA A 434 -4.048 -7.209 -7.479 1.00 0.55 C ATOM 91 O ALA A 434 -4.553 -7.972 -8.298 1.00 0.55 O ATOM 92 CB ALA A 434 -3.796 -4.657 -7.387 1.00 0.55 C ATOM 0 HA ALA A 434 -2.308 -6.092 -7.454 1.00 0.55 H new ATOM 0 HB1 ALA A 434 -3.937 -4.732 -6.309 1.00 0.55 H new ATOM 0 HB2 ALA A 434 -3.070 -3.873 -7.604 1.00 0.55 H new ATOM 0 HB3 ALA A 434 -4.747 -4.413 -7.861 1.00 0.55 H new ATOM 98 N ARG A 435 -4.122 -7.413 -6.139 1.00 0.93 N ATOM 99 CA ARG A 435 -4.725 -8.560 -5.473 1.00 0.93 C ATOM 100 C ARG A 435 -5.101 -8.193 -4.048 1.00 0.93 C ATOM 101 O ARG A 435 -4.466 -7.361 -3.420 1.00 0.93 O ATOM 102 CB ARG A 435 -3.647 -9.699 -5.510 1.00 0.93 C ATOM 103 CG ARG A 435 -3.917 -11.043 -4.793 1.00 0.93 C ATOM 104 CD ARG A 435 -4.978 -11.946 -5.455 1.00 0.93 C ATOM 105 NE ARG A 435 -6.352 -11.399 -5.195 1.00 0.93 N ATOM 106 CZ ARG A 435 -7.499 -11.946 -5.707 1.00 0.93 C ATOM 107 NH1 ARG A 435 -7.455 -13.052 -6.504 1.00 0.93 N ATOM 108 NH2 ARG A 435 -8.702 -11.371 -5.411 1.00 0.93 N ATOM 0 H ARG A 435 -3.739 -6.740 -5.475 1.00 0.93 H new ATOM 0 HA ARG A 435 -5.642 -8.885 -5.965 1.00 0.93 H new ATOM 0 HB2 ARG A 435 -3.450 -9.925 -6.558 1.00 0.93 H new ATOM 0 HB3 ARG A 435 -2.727 -9.288 -5.094 1.00 0.93 H new ATOM 0 HG2 ARG A 435 -2.980 -11.597 -4.732 1.00 0.93 H new ATOM 0 HG3 ARG A 435 -4.230 -10.833 -3.770 1.00 0.93 H new ATOM 0 HD2 ARG A 435 -4.798 -12.005 -6.528 1.00 0.93 H new ATOM 0 HD3 ARG A 435 -4.901 -12.960 -5.062 1.00 0.93 H new ATOM 0 HE ARG A 435 -6.436 -10.573 -4.603 1.00 0.93 H new ATOM 0 HH11 ARG A 435 -6.559 -13.485 -6.727 1.00 0.93 H new ATOM 0 HH12 ARG A 435 -8.319 -13.447 -6.877 1.00 0.93 H new ATOM 0 HH21 ARG A 435 -8.739 -10.544 -4.815 1.00 0.93 H new ATOM 0 HH22 ARG A 435 -9.563 -11.769 -5.786 1.00 0.93 H new ATOM 122 N THR A 436 -6.189 -8.774 -3.478 1.00 0.95 N ATOM 123 CA THR A 436 -6.688 -8.416 -2.144 1.00 0.95 C ATOM 124 C THR A 436 -7.211 -9.617 -1.453 1.00 0.95 C ATOM 125 O THR A 436 -7.650 -10.567 -2.093 1.00 0.95 O ATOM 126 CB THR A 436 -7.691 -7.233 -2.061 1.00 0.95 C ATOM 127 OG1 THR A 436 -8.878 -7.323 -1.243 1.00 0.95 O ATOM 128 CG2 THR A 436 -8.277 -7.030 -3.418 1.00 0.95 C ATOM 0 H THR A 436 -6.737 -9.501 -3.938 1.00 0.95 H new ATOM 0 HA THR A 436 -5.811 -8.026 -1.627 1.00 0.95 H new ATOM 0 HB THR A 436 -7.056 -6.465 -1.618 1.00 0.95 H new ATOM 0 HG1 THR A 436 -8.755 -6.792 -0.429 1.00 0.95 H new ATOM 0 HG21 THR A 436 -8.987 -6.203 -3.388 1.00 0.95 H new ATOM 0 HG22 THR A 436 -7.482 -6.800 -4.127 1.00 0.95 H new ATOM 0 HG23 THR A 436 -8.791 -7.938 -3.732 1.00 0.95 H new ATOM 136 N SER A 437 -7.261 -9.522 -0.092 1.00 0.67 N ATOM 137 CA SER A 437 -7.930 -10.588 0.688 1.00 0.67 C ATOM 138 C SER A 437 -9.427 -10.392 0.992 1.00 0.67 C ATOM 139 O SER A 437 -10.051 -11.321 1.502 1.00 0.67 O ATOM 140 CB SER A 437 -7.201 -10.945 2.001 1.00 0.67 C ATOM 141 OG SER A 437 -7.504 -12.262 2.476 1.00 0.67 O ATOM 0 H SER A 437 -6.867 -8.758 0.457 1.00 0.67 H new ATOM 0 HA SER A 437 -7.865 -11.419 -0.015 1.00 0.67 H new ATOM 0 HB2 SER A 437 -6.125 -10.860 1.846 1.00 0.67 H new ATOM 0 HB3 SER A 437 -7.471 -10.219 2.768 1.00 0.67 H new ATOM 0 HG SER A 437 -8.452 -12.455 2.322 1.00 0.67 H new ATOM 147 N GLY A 438 -10.054 -9.220 0.705 1.00 0.59 N ATOM 148 CA GLY A 438 -11.483 -9.004 0.898 1.00 0.59 C ATOM 149 C GLY A 438 -11.569 -7.722 1.603 1.00 0.59 C ATOM 150 O GLY A 438 -11.397 -6.654 1.030 1.00 0.59 O ATOM 0 H GLY A 438 -9.566 -8.406 0.333 1.00 0.59 H new ATOM 0 HA2 GLY A 438 -12.011 -8.969 -0.055 1.00 0.59 H new ATOM 0 HA3 GLY A 438 -11.931 -9.809 1.481 1.00 0.59 H new ATOM 154 N ARG A 439 -11.783 -7.760 2.938 1.00 0.60 N ATOM 155 CA ARG A 439 -11.769 -6.731 3.986 1.00 0.60 C ATOM 156 C ARG A 439 -10.610 -5.728 4.008 1.00 0.60 C ATOM 157 O ARG A 439 -10.481 -4.944 4.943 1.00 0.60 O ATOM 158 CB ARG A 439 -12.065 -7.445 5.332 1.00 0.60 C ATOM 159 CG ARG A 439 -11.112 -8.594 5.687 1.00 0.60 C ATOM 160 CD ARG A 439 -11.654 -9.489 6.811 1.00 0.60 C ATOM 161 NE ARG A 439 -11.791 -8.697 8.086 1.00 0.60 N ATOM 162 CZ ARG A 439 -10.816 -8.589 9.043 1.00 0.60 C ATOM 163 NH1 ARG A 439 -9.585 -9.151 8.868 1.00 0.60 N ATOM 164 NH2 ARG A 439 -11.086 -7.900 10.192 1.00 0.60 N ATOM 0 H ARG A 439 -12.004 -8.661 3.362 1.00 0.60 H new ATOM 0 HA ARG A 439 -12.555 -6.015 3.748 1.00 0.60 H new ATOM 0 HB2 ARG A 439 -12.030 -6.706 6.132 1.00 0.60 H new ATOM 0 HB3 ARG A 439 -13.083 -7.835 5.302 1.00 0.60 H new ATOM 0 HG2 ARG A 439 -10.935 -9.201 4.799 1.00 0.60 H new ATOM 0 HG3 ARG A 439 -10.149 -8.182 5.989 1.00 0.60 H new ATOM 0 HD2 ARG A 439 -12.622 -9.900 6.524 1.00 0.60 H new ATOM 0 HD3 ARG A 439 -10.983 -10.333 6.969 1.00 0.60 H new ATOM 0 HE ARG A 439 -12.671 -8.207 8.248 1.00 0.60 H new ATOM 0 HH11 ARG A 439 -9.376 -9.664 8.012 1.00 0.60 H new ATOM 0 HH12 ARG A 439 -8.874 -9.058 9.594 1.00 0.60 H new ATOM 0 HH21 ARG A 439 -12.003 -7.475 10.328 1.00 0.60 H new ATOM 0 HH22 ARG A 439 -10.370 -7.811 10.913 1.00 0.60 H new ATOM 178 N VAL A 440 -9.777 -5.691 2.923 1.00 0.36 N ATOM 179 CA VAL A 440 -8.800 -4.681 2.587 1.00 0.36 C ATOM 180 C VAL A 440 -8.760 -4.803 1.095 1.00 0.36 C ATOM 181 O VAL A 440 -8.355 -5.862 0.656 1.00 0.36 O ATOM 182 CB VAL A 440 -7.371 -4.832 3.109 1.00 0.36 C ATOM 183 CG1 VAL A 440 -6.705 -3.458 2.914 1.00 0.36 C ATOM 184 CG2 VAL A 440 -7.430 -5.147 4.613 1.00 0.36 C ATOM 0 H VAL A 440 -9.796 -6.436 2.227 1.00 0.36 H new ATOM 0 HA VAL A 440 -9.106 -3.738 3.040 1.00 0.36 H new ATOM 0 HB VAL A 440 -6.827 -5.624 2.595 1.00 0.36 H new ATOM 0 HG11 VAL A 440 -5.675 -3.499 3.270 1.00 0.36 H new ATOM 0 HG12 VAL A 440 -6.713 -3.196 1.856 1.00 0.36 H new ATOM 0 HG13 VAL A 440 -7.254 -2.704 3.478 1.00 0.36 H new ATOM 0 HG21 VAL A 440 -6.418 -5.258 5.001 1.00 0.36 H new ATOM 0 HG22 VAL A 440 -7.932 -4.333 5.136 1.00 0.36 H new ATOM 0 HG23 VAL A 440 -7.982 -6.074 4.769 1.00 0.36 H new ATOM 194 N ALA A 441 -9.100 -3.806 0.265 1.00 0.28 N ATOM 195 CA ALA A 441 -8.900 -3.838 -1.180 1.00 0.28 C ATOM 196 C ALA A 441 -7.959 -2.727 -1.537 1.00 0.28 C ATOM 197 O ALA A 441 -8.063 -1.633 -0.980 1.00 0.28 O ATOM 198 CB ALA A 441 -10.197 -3.627 -2.010 1.00 0.28 C ATOM 0 H ALA A 441 -9.530 -2.941 0.592 1.00 0.28 H new ATOM 0 HA ALA A 441 -8.520 -4.831 -1.421 1.00 0.28 H new ATOM 0 HB1 ALA A 441 -9.959 -3.665 -3.073 1.00 0.28 H new ATOM 0 HB2 ALA A 441 -10.914 -4.412 -1.770 1.00 0.28 H new ATOM 0 HB3 ALA A 441 -10.629 -2.655 -1.770 1.00 0.28 H new ATOM 204 N VAL A 442 -7.060 -2.965 -2.557 1.00 0.46 N ATOM 205 CA VAL A 442 -6.233 -1.915 -3.168 1.00 0.46 C ATOM 206 C VAL A 442 -7.108 -1.315 -4.262 1.00 0.46 C ATOM 207 O VAL A 442 -7.187 -1.807 -5.385 1.00 0.46 O ATOM 208 CB VAL A 442 -4.806 -2.277 -3.584 1.00 0.46 C ATOM 209 CG1 VAL A 442 -3.898 -1.056 -3.347 1.00 0.46 C ATOM 210 CG2 VAL A 442 -4.212 -3.371 -2.693 1.00 0.46 C ATOM 0 H VAL A 442 -6.907 -3.890 -2.959 1.00 0.46 H new ATOM 0 HA VAL A 442 -5.964 -1.179 -2.410 1.00 0.46 H new ATOM 0 HB VAL A 442 -4.852 -2.602 -4.623 1.00 0.46 H new ATOM 0 HG11 VAL A 442 -2.877 -1.300 -3.639 1.00 0.46 H new ATOM 0 HG12 VAL A 442 -4.255 -0.216 -3.943 1.00 0.46 H new ATOM 0 HG13 VAL A 442 -3.919 -0.787 -2.291 1.00 0.46 H new ATOM 0 HG21 VAL A 442 -3.198 -3.598 -3.023 1.00 0.46 H new ATOM 0 HG22 VAL A 442 -4.189 -3.026 -1.659 1.00 0.46 H new ATOM 0 HG23 VAL A 442 -4.826 -4.269 -2.762 1.00 0.46 H new ATOM 220 N GLU A 443 -7.872 -0.271 -3.821 1.00 0.54 N ATOM 221 CA GLU A 443 -8.987 0.408 -4.455 1.00 0.54 C ATOM 222 C GLU A 443 -8.569 1.196 -5.690 1.00 0.54 C ATOM 223 O GLU A 443 -9.018 0.945 -6.805 1.00 0.54 O ATOM 224 CB GLU A 443 -9.637 1.358 -3.402 1.00 0.54 C ATOM 225 CG GLU A 443 -11.005 1.943 -3.821 1.00 0.54 C ATOM 226 CD GLU A 443 -11.446 3.097 -2.914 1.00 0.54 C ATOM 227 OE1 GLU A 443 -10.668 3.504 -2.013 1.00 0.54 O ATOM 228 OE2 GLU A 443 -12.583 3.599 -3.132 1.00 0.54 O ATOM 0 H GLU A 443 -7.679 0.142 -2.909 1.00 0.54 H new ATOM 0 HA GLU A 443 -9.700 -0.342 -4.798 1.00 0.54 H new ATOM 0 HB2 GLU A 443 -9.761 0.812 -2.467 1.00 0.54 H new ATOM 0 HB3 GLU A 443 -8.951 2.181 -3.202 1.00 0.54 H new ATOM 0 HG2 GLU A 443 -10.947 2.295 -4.851 1.00 0.54 H new ATOM 0 HG3 GLU A 443 -11.758 1.155 -3.795 1.00 0.54 H new ATOM 235 N GLU A 444 -7.634 2.154 -5.469 1.00 0.53 N ATOM 236 CA GLU A 444 -6.988 2.929 -6.504 1.00 0.53 C ATOM 237 C GLU A 444 -5.514 2.878 -6.338 1.00 0.53 C ATOM 238 O GLU A 444 -4.917 3.563 -5.520 1.00 0.53 O ATOM 239 CB GLU A 444 -7.486 4.384 -6.722 1.00 0.53 C ATOM 240 CG GLU A 444 -8.946 4.482 -7.200 1.00 0.53 C ATOM 241 CD GLU A 444 -9.087 3.952 -8.627 1.00 0.53 C ATOM 242 OE1 GLU A 444 -8.404 4.500 -9.533 1.00 0.53 O ATOM 243 OE2 GLU A 444 -9.886 2.999 -8.833 1.00 0.53 O ATOM 0 H GLU A 444 -7.315 2.399 -4.532 1.00 0.53 H new ATOM 0 HA GLU A 444 -7.291 2.437 -7.428 1.00 0.53 H new ATOM 0 HB2 GLU A 444 -7.383 4.936 -5.788 1.00 0.53 H new ATOM 0 HB3 GLU A 444 -6.842 4.872 -7.453 1.00 0.53 H new ATOM 0 HG2 GLU A 444 -9.591 3.913 -6.531 1.00 0.53 H new ATOM 0 HG3 GLU A 444 -9.278 5.519 -7.158 1.00 0.53 H new ATOM 250 N VAL A 445 -4.845 2.087 -7.205 1.00 0.50 N ATOM 251 CA VAL A 445 -3.396 2.037 -7.272 1.00 0.50 C ATOM 252 C VAL A 445 -3.073 3.030 -8.384 1.00 0.50 C ATOM 253 O VAL A 445 -3.479 2.919 -9.543 1.00 0.50 O ATOM 254 CB VAL A 445 -2.886 0.624 -7.515 1.00 0.50 C ATOM 255 CG1 VAL A 445 -3.110 -0.078 -6.173 1.00 0.50 C ATOM 256 CG2 VAL A 445 -3.622 -0.135 -8.647 1.00 0.50 C ATOM 0 H VAL A 445 -5.309 1.471 -7.872 1.00 0.50 H new ATOM 0 HA VAL A 445 -2.897 2.306 -6.341 1.00 0.50 H new ATOM 0 HB VAL A 445 -1.848 0.646 -7.846 1.00 0.50 H new ATOM 0 HG11 VAL A 445 -2.772 -1.112 -6.242 1.00 0.50 H new ATOM 0 HG12 VAL A 445 -2.546 0.436 -5.395 1.00 0.50 H new ATOM 0 HG13 VAL A 445 -4.171 -0.059 -5.925 1.00 0.50 H new ATOM 0 HG21 VAL A 445 -3.196 -1.133 -8.753 1.00 0.50 H new ATOM 0 HG22 VAL A 445 -4.681 -0.217 -8.401 1.00 0.50 H new ATOM 0 HG23 VAL A 445 -3.508 0.410 -9.584 1.00 0.50 H new ATOM 266 N ASP A 446 -2.375 4.108 -7.985 1.00 0.41 N ATOM 267 CA ASP A 446 -2.159 5.298 -8.769 1.00 0.41 C ATOM 268 C ASP A 446 -0.732 5.288 -9.255 1.00 0.41 C ATOM 269 O ASP A 446 0.160 5.731 -8.537 1.00 0.41 O ATOM 270 CB ASP A 446 -2.497 6.487 -7.824 1.00 0.41 C ATOM 271 CG ASP A 446 -3.986 6.837 -7.940 1.00 0.41 C ATOM 272 OD1 ASP A 446 -4.405 7.285 -9.042 1.00 0.41 O ATOM 273 OD2 ASP A 446 -4.717 6.666 -6.929 1.00 0.41 O ATOM 0 H ASP A 446 -1.935 4.158 -7.066 1.00 0.41 H new ATOM 0 HA ASP A 446 -2.782 5.371 -9.660 1.00 0.41 H new ATOM 0 HB2 ASP A 446 -2.255 6.225 -6.794 1.00 0.41 H new ATOM 0 HB3 ASP A 446 -1.889 7.354 -8.084 1.00 0.41 H new ATOM 337 N PHE A 451 0.974 6.334 -5.409 1.00 0.31 N ATOM 338 CA PHE A 451 0.320 6.248 -4.123 1.00 0.31 C ATOM 339 C PHE A 451 -0.604 5.076 -4.187 1.00 0.31 C ATOM 340 O PHE A 451 -1.090 4.693 -5.252 1.00 0.31 O ATOM 341 CB PHE A 451 -0.283 7.534 -3.457 1.00 0.31 C ATOM 342 CG PHE A 451 -0.597 8.647 -4.407 1.00 0.31 C ATOM 343 CD1 PHE A 451 -1.756 8.630 -5.197 1.00 0.31 C ATOM 344 CD2 PHE A 451 0.262 9.756 -4.474 1.00 0.31 C ATOM 345 CE1 PHE A 451 -2.037 9.693 -6.066 1.00 0.31 C ATOM 346 CE2 PHE A 451 -0.013 10.811 -5.343 1.00 0.31 C ATOM 347 CZ PHE A 451 -1.157 10.781 -6.139 1.00 0.31 C ATOM 0 HA PHE A 451 1.115 6.111 -3.390 1.00 0.31 H new ATOM 0 HB2 PHE A 451 -1.196 7.258 -2.929 1.00 0.31 H new ATOM 0 HB3 PHE A 451 0.419 7.902 -2.709 1.00 0.31 H new ATOM 0 HD1 PHE A 451 -2.436 7.793 -5.135 1.00 0.31 H new ATOM 0 HD2 PHE A 451 1.141 9.792 -3.848 1.00 0.31 H new ATOM 0 HE1 PHE A 451 -2.928 9.674 -6.677 1.00 0.31 H new ATOM 0 HE2 PHE A 451 0.661 11.653 -5.400 1.00 0.31 H new ATOM 0 HZ PHE A 451 -1.366 11.598 -6.814 1.00 0.31 H new ATOM 357 N VAL A 452 -0.831 4.460 -3.002 1.00 0.26 N ATOM 358 CA VAL A 452 -1.670 3.302 -2.815 1.00 0.26 C ATOM 359 C VAL A 452 -2.921 3.790 -2.115 1.00 0.26 C ATOM 360 O VAL A 452 -2.899 4.091 -0.916 1.00 0.26 O ATOM 361 CB VAL A 452 -0.905 2.366 -1.861 1.00 0.26 C ATOM 362 CG1 VAL A 452 -1.672 1.108 -1.437 1.00 0.26 C ATOM 363 CG2 VAL A 452 0.334 1.846 -2.579 1.00 0.26 C ATOM 0 H VAL A 452 -0.409 4.785 -2.132 1.00 0.26 H new ATOM 0 HA VAL A 452 -1.917 2.795 -3.748 1.00 0.26 H new ATOM 0 HB VAL A 452 -0.705 2.969 -0.975 1.00 0.26 H new ATOM 0 HG11 VAL A 452 -1.052 0.513 -0.767 1.00 0.26 H new ATOM 0 HG12 VAL A 452 -2.589 1.397 -0.923 1.00 0.26 H new ATOM 0 HG13 VAL A 452 -1.921 0.519 -2.320 1.00 0.26 H new ATOM 0 HG21 VAL A 452 0.887 1.181 -1.915 1.00 0.26 H new ATOM 0 HG22 VAL A 452 0.034 1.299 -3.473 1.00 0.26 H new ATOM 0 HG23 VAL A 452 0.969 2.685 -2.863 1.00 0.26 H new ATOM 373 N ARG A 453 -4.083 3.832 -2.835 1.00 0.58 N ATOM 374 CA ARG A 453 -5.359 4.135 -2.152 1.00 0.58 C ATOM 375 C ARG A 453 -6.030 2.838 -1.676 1.00 0.58 C ATOM 376 O ARG A 453 -6.469 2.025 -2.496 1.00 0.58 O ATOM 377 CB ARG A 453 -6.339 4.929 -3.057 1.00 0.58 C ATOM 378 CG ARG A 453 -7.621 5.451 -2.376 1.00 0.58 C ATOM 379 CD ARG A 453 -8.591 6.065 -3.396 1.00 0.58 C ATOM 380 NE ARG A 453 -9.801 6.588 -2.674 1.00 0.58 N ATOM 381 CZ ARG A 453 -10.970 6.916 -3.309 1.00 0.58 C ATOM 382 NH1 ARG A 453 -11.096 6.773 -4.660 1.00 0.58 N ATOM 383 NH2 ARG A 453 -12.024 7.381 -2.578 1.00 0.58 N ATOM 0 H ARG A 453 -4.154 3.667 -3.839 1.00 0.58 H new ATOM 0 HA ARG A 453 -5.119 4.763 -1.294 1.00 0.58 H new ATOM 0 HB2 ARG A 453 -5.804 5.780 -3.478 1.00 0.58 H new ATOM 0 HB3 ARG A 453 -6.629 4.290 -3.891 1.00 0.58 H new ATOM 0 HG2 ARG A 453 -8.114 4.633 -1.851 1.00 0.58 H new ATOM 0 HG3 ARG A 453 -7.358 6.198 -1.627 1.00 0.58 H new ATOM 0 HD2 ARG A 453 -8.101 6.872 -3.942 1.00 0.58 H new ATOM 0 HD3 ARG A 453 -8.887 5.316 -4.131 1.00 0.58 H new ATOM 0 HE ARG A 453 -9.749 6.704 -1.662 1.00 0.58 H new ATOM 0 HH11 ARG A 453 -10.314 6.418 -5.210 1.00 0.58 H new ATOM 0 HH12 ARG A 453 -11.972 7.021 -5.120 1.00 0.58 H new ATOM 0 HH21 ARG A 453 -11.938 7.482 -1.567 1.00 0.58 H new ATOM 0 HH22 ARG A 453 -12.898 7.627 -3.043 1.00 0.58 H new ATOM 397 N LEU A 454 -6.142 2.598 -0.331 1.00 0.66 N ATOM 398 CA LEU A 454 -6.783 1.441 0.260 1.00 0.66 C ATOM 399 C LEU A 454 -8.206 1.801 0.683 1.00 0.66 C ATOM 400 O LEU A 454 -8.617 2.957 0.751 1.00 0.66 O ATOM 401 CB LEU A 454 -5.881 0.868 1.437 1.00 0.66 C ATOM 402 CG LEU A 454 -4.617 0.099 0.945 1.00 0.66 C ATOM 403 CD1 LEU A 454 -3.632 -0.513 1.955 1.00 0.66 C ATOM 404 CD2 LEU A 454 -5.034 -1.036 0.042 1.00 0.66 C ATOM 0 H LEU A 454 -5.768 3.241 0.367 1.00 0.66 H new ATOM 0 HA LEU A 454 -6.877 0.636 -0.468 1.00 0.66 H new ATOM 0 HB2 LEU A 454 -5.567 1.693 2.076 1.00 0.66 H new ATOM 0 HB3 LEU A 454 -6.484 0.200 2.052 1.00 0.66 H new ATOM 0 HG LEU A 454 -4.063 0.915 0.481 1.00 0.66 H new ATOM 0 HD11 LEU A 454 -2.820 -1.005 1.419 1.00 0.66 H new ATOM 0 HD12 LEU A 454 -3.224 0.275 2.588 1.00 0.66 H new ATOM 0 HD13 LEU A 454 -4.153 -1.243 2.574 1.00 0.66 H new ATOM 0 HD21 LEU A 454 -4.149 -1.572 -0.301 1.00 0.66 H new ATOM 0 HD22 LEU A 454 -5.682 -1.719 0.591 1.00 0.66 H new ATOM 0 HD23 LEU A 454 -5.573 -0.638 -0.818 1.00 0.66 H new ATOM 416 N ARG A 455 -9.004 0.759 0.939 1.00 0.51 N ATOM 417 CA ARG A 455 -10.377 0.747 1.385 1.00 0.51 C ATOM 418 C ARG A 455 -10.489 -0.630 1.975 1.00 0.51 C ATOM 419 O ARG A 455 -9.599 -1.438 1.742 1.00 0.51 O ATOM 420 CB ARG A 455 -11.359 0.953 0.201 1.00 0.51 C ATOM 421 CG ARG A 455 -12.872 0.857 0.481 1.00 0.51 C ATOM 422 CD ARG A 455 -13.717 1.527 -0.607 1.00 0.51 C ATOM 423 NE ARG A 455 -15.160 1.458 -0.185 1.00 0.51 N ATOM 424 CZ ARG A 455 -16.139 2.247 -0.726 1.00 0.51 C ATOM 425 NH1 ARG A 455 -15.852 3.141 -1.716 1.00 0.51 N ATOM 426 NH2 ARG A 455 -17.419 2.137 -0.263 1.00 0.51 N ATOM 0 H ARG A 455 -8.654 -0.192 0.822 1.00 0.51 H new ATOM 0 HA ARG A 455 -10.628 1.545 2.084 1.00 0.51 H new ATOM 0 HB2 ARG A 455 -11.162 1.936 -0.227 1.00 0.51 H new ATOM 0 HB3 ARG A 455 -11.115 0.217 -0.565 1.00 0.51 H new ATOM 0 HG2 ARG A 455 -13.157 -0.192 0.562 1.00 0.51 H new ATOM 0 HG3 ARG A 455 -13.090 1.322 1.443 1.00 0.51 H new ATOM 0 HD2 ARG A 455 -13.409 2.564 -0.744 1.00 0.51 H new ATOM 0 HD3 ARG A 455 -13.575 1.024 -1.563 1.00 0.51 H new ATOM 0 HE ARG A 455 -15.421 0.790 0.540 1.00 0.51 H new ATOM 0 HH11 ARG A 455 -14.897 3.228 -2.063 1.00 0.51 H new ATOM 0 HH12 ARG A 455 -16.593 3.722 -2.109 1.00 0.51 H new ATOM 0 HH21 ARG A 455 -17.638 1.472 0.479 1.00 0.51 H new ATOM 0 HH22 ARG A 455 -18.156 2.720 -0.659 1.00 0.51 H new ATOM 440 N ASN A 456 -11.545 -0.972 2.736 1.00 0.49 N ATOM 441 CA ASN A 456 -11.828 -2.375 3.132 1.00 0.49 C ATOM 442 C ASN A 456 -12.856 -2.923 2.102 1.00 0.49 C ATOM 443 O ASN A 456 -13.789 -2.186 1.810 1.00 0.49 O ATOM 444 CB ASN A 456 -12.269 -2.426 4.634 1.00 0.49 C ATOM 445 CG ASN A 456 -13.303 -3.440 5.135 1.00 0.49 C ATOM 446 OD1 ASN A 456 -14.400 -3.504 4.591 1.00 0.49 O ATOM 447 ND2 ASN A 456 -13.042 -4.156 6.243 1.00 0.49 N ATOM 0 H ASN A 456 -12.222 -0.297 3.093 1.00 0.49 H new ATOM 0 HA ASN A 456 -10.954 -3.025 3.097 1.00 0.49 H new ATOM 0 HB2 ASN A 456 -11.365 -2.579 5.224 1.00 0.49 H new ATOM 0 HB3 ASN A 456 -12.650 -1.436 4.885 1.00 0.49 H new ATOM 0 HD21 ASN A 456 -13.761 -4.761 6.640 1.00 0.49 H new ATOM 0 HD22 ASN A 456 -12.125 -4.094 6.686 1.00 0.49 H new ATOM 454 N LYS A 457 -12.795 -4.160 1.498 1.00 0.45 N ATOM 455 CA LYS A 457 -13.888 -4.574 0.589 1.00 0.45 C ATOM 456 C LYS A 457 -14.873 -5.495 1.271 1.00 0.45 C ATOM 457 O LYS A 457 -16.072 -5.248 1.177 1.00 0.45 O ATOM 458 CB LYS A 457 -13.366 -5.057 -0.786 1.00 0.45 C ATOM 459 CG LYS A 457 -14.377 -5.160 -1.941 1.00 0.45 C ATOM 460 CD LYS A 457 -15.052 -6.536 -2.070 1.00 0.45 C ATOM 461 CE LYS A 457 -15.724 -6.740 -3.434 1.00 0.45 C ATOM 462 NZ LYS A 457 -16.842 -5.789 -3.632 1.00 0.45 N ATOM 0 H LYS A 457 -12.044 -4.839 1.622 1.00 0.45 H new ATOM 0 HA LYS A 457 -14.473 -3.687 0.345 1.00 0.45 H new ATOM 0 HB2 LYS A 457 -12.569 -4.382 -1.098 1.00 0.45 H new ATOM 0 HB3 LYS A 457 -12.915 -6.040 -0.647 1.00 0.45 H new ATOM 0 HG2 LYS A 457 -15.148 -4.402 -1.803 1.00 0.45 H new ATOM 0 HG3 LYS A 457 -13.867 -4.929 -2.876 1.00 0.45 H new ATOM 0 HD2 LYS A 457 -14.308 -7.317 -1.916 1.00 0.45 H new ATOM 0 HD3 LYS A 457 -15.797 -6.646 -1.282 1.00 0.45 H new ATOM 0 HE2 LYS A 457 -14.988 -6.609 -4.227 1.00 0.45 H new ATOM 0 HE3 LYS A 457 -16.096 -7.762 -3.509 1.00 0.45 H new ATOM 0 HZ1 LYS A 457 -17.276 -5.952 -4.563 1.00 0.45 H new ATOM 0 HZ2 LYS A 457 -17.555 -5.931 -2.888 1.00 0.45 H new ATOM 0 HZ3 LYS A 457 -16.482 -4.815 -3.584 1.00 0.45 H new ATOM 476 N SER A 458 -14.420 -6.517 2.056 1.00 0.34 N ATOM 477 CA SER A 458 -15.333 -7.301 2.931 1.00 0.34 C ATOM 478 C SER A 458 -15.495 -6.652 4.323 1.00 0.34 C ATOM 479 O SER A 458 -14.627 -6.158 5.019 1.00 0.34 O ATOM 480 CB SER A 458 -15.158 -8.855 3.005 1.00 0.34 C ATOM 481 OG SER A 458 -13.936 -9.336 3.560 1.00 0.34 O ATOM 0 H SER A 458 -13.444 -6.810 2.098 1.00 0.34 H new ATOM 0 HA SER A 458 -16.274 -7.232 2.385 1.00 0.34 H new ATOM 0 HB2 SER A 458 -15.982 -9.263 3.591 1.00 0.34 H new ATOM 0 HB3 SER A 458 -15.255 -9.257 1.996 1.00 0.34 H new ATOM 0 HG SER A 458 -13.939 -10.316 3.557 1.00 0.34 H new ATOM 487 N ASN A 459 -16.744 -6.559 4.723 1.00 0.49 N ATOM 488 CA ASN A 459 -17.389 -5.769 5.743 1.00 0.49 C ATOM 489 C ASN A 459 -17.250 -6.115 7.219 1.00 0.49 C ATOM 490 O ASN A 459 -18.180 -5.978 8.023 1.00 0.49 O ATOM 491 CB ASN A 459 -18.845 -5.589 5.299 1.00 0.49 C ATOM 492 CG ASN A 459 -19.623 -6.888 5.320 1.00 0.49 C ATOM 493 OD1 ASN A 459 -19.467 -7.727 4.435 1.00 0.49 O ATOM 494 ND2 ASN A 459 -20.435 -7.043 6.393 1.00 0.49 N ATOM 0 H ASN A 459 -17.443 -7.137 4.257 1.00 0.49 H new ATOM 0 HA ASN A 459 -16.811 -4.846 5.781 1.00 0.49 H new ATOM 0 HB2 ASN A 459 -19.334 -4.866 5.952 1.00 0.49 H new ATOM 0 HB3 ASN A 459 -18.865 -5.173 4.292 1.00 0.49 H new ATOM 0 HD21 ASN A 459 -20.970 -7.904 6.507 1.00 0.49 H new ATOM 0 HD22 ASN A 459 -20.511 -6.299 7.087 1.00 0.49 H new ATOM 501 N GLU A 460 -16.035 -6.499 7.603 1.00 0.74 N ATOM 502 CA GLU A 460 -15.672 -6.721 8.982 1.00 0.74 C ATOM 503 C GLU A 460 -14.610 -5.691 9.263 1.00 0.74 C ATOM 504 O GLU A 460 -13.616 -5.639 8.543 1.00 0.74 O ATOM 505 CB GLU A 460 -15.159 -8.154 9.242 1.00 0.74 C ATOM 506 CG GLU A 460 -16.217 -9.242 8.979 1.00 0.74 C ATOM 507 CD GLU A 460 -15.602 -10.618 9.229 1.00 0.74 C ATOM 508 OE1 GLU A 460 -14.641 -10.978 8.498 1.00 0.74 O ATOM 509 OE2 GLU A 460 -16.087 -11.328 10.150 1.00 0.74 O ATOM 0 H GLU A 460 -15.271 -6.664 6.948 1.00 0.74 H new ATOM 0 HA GLU A 460 -16.535 -6.622 9.641 1.00 0.74 H new ATOM 0 HB2 GLU A 460 -14.292 -8.341 8.609 1.00 0.74 H new ATOM 0 HB3 GLU A 460 -14.822 -8.229 10.276 1.00 0.74 H new ATOM 0 HG2 GLU A 460 -17.078 -9.092 9.630 1.00 0.74 H new ATOM 0 HG3 GLU A 460 -16.578 -9.174 7.953 1.00 0.74 H new ATOM 516 N ASP A 461 -14.789 -4.847 10.326 1.00 0.65 N ATOM 517 CA ASP A 461 -13.886 -3.799 10.840 1.00 0.65 C ATOM 518 C ASP A 461 -12.462 -4.294 11.128 1.00 0.65 C ATOM 519 O ASP A 461 -12.236 -5.075 12.042 1.00 0.65 O ATOM 520 CB ASP A 461 -14.436 -3.140 12.147 1.00 0.65 C ATOM 521 CG ASP A 461 -15.928 -2.809 12.017 1.00 0.65 C ATOM 522 OD1 ASP A 461 -16.286 -1.980 11.142 1.00 0.65 O ATOM 523 OD2 ASP A 461 -16.729 -3.388 12.800 1.00 0.65 O ATOM 0 H ASP A 461 -15.643 -4.897 10.882 1.00 0.65 H new ATOM 0 HA ASP A 461 -13.843 -3.068 10.033 1.00 0.65 H new ATOM 0 HB2 ASP A 461 -14.283 -3.814 12.990 1.00 0.65 H new ATOM 0 HB3 ASP A 461 -13.876 -2.230 12.361 1.00 0.65 H new ATOM 528 N GLN A 462 -11.475 -3.877 10.307 1.00 0.44 N ATOM 529 CA GLN A 462 -10.090 -4.381 10.350 1.00 0.44 C ATOM 530 C GLN A 462 -9.129 -3.504 11.178 1.00 0.44 C ATOM 531 O GLN A 462 -9.203 -2.291 11.079 1.00 0.44 O ATOM 532 CB GLN A 462 -9.718 -4.691 8.876 1.00 0.44 C ATOM 533 CG GLN A 462 -8.434 -5.513 8.609 1.00 0.44 C ATOM 534 CD GLN A 462 -7.154 -4.678 8.567 1.00 0.44 C ATOM 535 OE1 GLN A 462 -7.352 -3.334 8.591 1.00 0.44 O flip ATOM 536 NE2 GLN A 462 -6.049 -5.218 8.492 1.00 0.44 N flip ATOM 0 H GLN A 462 -11.622 -3.171 9.586 1.00 0.44 H new ATOM 0 HA GLN A 462 -9.991 -5.303 10.924 1.00 0.44 H new ATOM 0 HB2 GLN A 462 -10.555 -5.223 8.425 1.00 0.44 H new ATOM 0 HB3 GLN A 462 -9.623 -3.742 8.349 1.00 0.44 H new ATOM 0 HG2 GLN A 462 -8.334 -6.272 9.385 1.00 0.44 H new ATOM 0 HG3 GLN A 462 -8.543 -6.039 7.660 1.00 0.44 H new ATOM 0 HE21 GLN A 462 -5.978 -6.235 8.479 1.00 0.44 H new ATOM 0 HE22 GLN A 462 -5.205 -4.648 8.443 1.00 0.44 H new ATOM 545 N SER A 463 -8.185 -4.036 12.021 1.00 0.49 N ATOM 546 CA SER A 463 -7.341 -3.176 12.898 1.00 0.49 C ATOM 547 C SER A 463 -6.034 -2.650 12.290 1.00 0.49 C ATOM 548 O SER A 463 -4.986 -3.291 12.376 1.00 0.49 O ATOM 549 CB SER A 463 -7.093 -3.811 14.300 1.00 0.49 C ATOM 550 OG SER A 463 -6.685 -2.878 15.309 1.00 0.49 O ATOM 0 H SER A 463 -7.997 -5.035 12.106 1.00 0.49 H new ATOM 0 HA SER A 463 -7.958 -2.285 13.017 1.00 0.49 H new ATOM 0 HB2 SER A 463 -8.007 -4.306 14.628 1.00 0.49 H new ATOM 0 HB3 SER A 463 -6.329 -4.583 14.206 1.00 0.49 H new ATOM 0 HG SER A 463 -6.713 -1.969 14.944 1.00 0.49 H new ATOM 556 N MET A 464 -6.043 -1.409 11.696 1.00 0.50 N ATOM 557 CA MET A 464 -4.834 -0.770 11.100 1.00 0.50 C ATOM 558 C MET A 464 -3.846 -0.137 12.065 1.00 0.50 C ATOM 559 O MET A 464 -2.840 0.446 11.669 1.00 0.50 O ATOM 560 CB MET A 464 -4.997 0.199 9.894 1.00 0.50 C ATOM 561 CG MET A 464 -6.186 -0.139 9.008 1.00 0.50 C ATOM 562 SD MET A 464 -6.443 0.891 7.539 1.00 0.50 S ATOM 563 CE MET A 464 -5.028 2.019 7.486 1.00 0.50 C ATOM 0 H MET A 464 -6.884 -0.836 11.622 1.00 0.50 H new ATOM 0 HA MET A 464 -4.430 -1.702 10.704 1.00 0.50 H new ATOM 0 HB2 MET A 464 -5.108 1.217 10.267 1.00 0.50 H new ATOM 0 HB3 MET A 464 -4.087 0.177 9.294 1.00 0.50 H new ATOM 0 HG2 MET A 464 -6.081 -1.173 8.681 1.00 0.50 H new ATOM 0 HG3 MET A 464 -7.088 -0.088 9.618 1.00 0.50 H new ATOM 0 HE1 MET A 464 -4.970 2.484 6.502 1.00 0.50 H new ATOM 0 HE2 MET A 464 -5.150 2.791 8.245 1.00 0.50 H new ATOM 0 HE3 MET A 464 -4.111 1.462 7.679 1.00 0.50 H new ATOM 573 N GLY A 465 -4.038 -0.348 13.384 1.00 0.39 N ATOM 574 CA GLY A 465 -3.017 -0.054 14.380 1.00 0.39 C ATOM 575 C GLY A 465 -1.907 -1.087 14.412 1.00 0.39 C ATOM 576 O GLY A 465 -0.805 -0.851 14.874 1.00 0.39 O ATOM 0 H GLY A 465 -4.902 -0.724 13.774 1.00 0.39 H new ATOM 0 HA2 GLY A 465 -2.588 0.927 14.174 1.00 0.39 H new ATOM 0 HA3 GLY A 465 -3.482 0.002 15.364 1.00 0.39 H new ATOM 580 N ASN A 466 -2.200 -2.305 13.917 1.00 0.33 N ATOM 581 CA ASN A 466 -1.312 -3.456 13.890 1.00 0.33 C ATOM 582 C ASN A 466 -0.715 -3.733 12.495 1.00 0.33 C ATOM 583 O ASN A 466 -0.168 -4.809 12.260 1.00 0.33 O ATOM 584 CB ASN A 466 -2.031 -4.692 14.517 1.00 0.33 C ATOM 585 CG ASN A 466 -2.289 -4.554 16.031 1.00 0.33 C ATOM 586 OD1 ASN A 466 -3.011 -3.491 16.464 1.00 0.33 O flip ATOM 587 ND2 ASN A 466 -1.883 -5.418 16.806 1.00 0.33 N flip ATOM 0 H ASN A 466 -3.111 -2.511 13.507 1.00 0.33 H new ATOM 0 HA ASN A 466 -0.442 -3.228 14.506 1.00 0.33 H new ATOM 0 HB2 ASN A 466 -2.982 -4.846 14.007 1.00 0.33 H new ATOM 0 HB3 ASN A 466 -1.427 -5.582 14.339 1.00 0.33 H new ATOM 0 HD21 ASN A 466 -1.342 -6.207 16.452 1.00 0.33 H new ATOM 0 HD22 ASN A 466 -2.087 -5.346 17.803 1.00 0.33 H new ATOM 594 N TRP A 467 -0.796 -2.771 11.521 1.00 0.32 N ATOM 595 CA TRP A 467 -0.298 -2.899 10.145 1.00 0.32 C ATOM 596 C TRP A 467 1.188 -2.748 9.938 1.00 0.32 C ATOM 597 O TRP A 467 1.952 -2.154 10.707 1.00 0.32 O ATOM 598 CB TRP A 467 -0.984 -1.840 9.234 1.00 0.32 C ATOM 599 CG TRP A 467 -2.327 -2.257 8.755 1.00 0.32 C ATOM 600 CD1 TRP A 467 -3.114 -3.255 9.234 1.00 0.32 C ATOM 601 CD2 TRP A 467 -2.999 -1.698 7.618 1.00 0.32 C ATOM 602 NE1 TRP A 467 -4.245 -3.351 8.491 1.00 0.32 N ATOM 603 CE2 TRP A 467 -4.197 -2.418 7.473 1.00 0.32 C ATOM 604 CE3 TRP A 467 -2.644 -0.695 6.716 1.00 0.32 C ATOM 605 CZ2 TRP A 467 -5.044 -2.168 6.402 1.00 0.32 C ATOM 606 CZ3 TRP A 467 -3.507 -0.400 5.660 1.00 0.32 C ATOM 607 CH2 TRP A 467 -4.659 -1.173 5.490 1.00 0.32 C ATOM 0 H TRP A 467 -1.227 -1.863 11.696 1.00 0.32 H new ATOM 0 HA TRP A 467 -0.542 -3.930 9.891 1.00 0.32 H new ATOM 0 HB2 TRP A 467 -1.077 -0.904 9.784 1.00 0.32 H new ATOM 0 HB3 TRP A 467 -0.345 -1.642 8.374 1.00 0.32 H new ATOM 0 HD1 TRP A 467 -2.875 -3.880 10.082 1.00 0.32 H new ATOM 0 HE1 TRP A 467 -5.008 -4.007 8.657 1.00 0.32 H new ATOM 0 HE3 TRP A 467 -1.716 -0.155 6.833 1.00 0.32 H new ATOM 0 HZ2 TRP A 467 -5.965 -2.718 6.275 1.00 0.32 H new ATOM 0 HZ3 TRP A 467 -3.288 0.413 4.984 1.00 0.32 H new ATOM 0 HH2 TRP A 467 -5.278 -0.998 4.622 1.00 0.32 H new ATOM 618 N GLN A 468 1.574 -3.290 8.764 1.00 0.53 N ATOM 619 CA GLN A 468 2.917 -3.141 8.229 1.00 0.53 C ATOM 620 C GLN A 468 2.694 -3.173 6.751 1.00 0.53 C ATOM 621 O GLN A 468 2.211 -4.153 6.195 1.00 0.53 O ATOM 622 CB GLN A 468 4.069 -4.137 8.621 1.00 0.53 C ATOM 623 CG GLN A 468 4.090 -4.658 10.071 1.00 0.53 C ATOM 624 CD GLN A 468 5.344 -5.507 10.332 1.00 0.53 C ATOM 625 OE1 GLN A 468 6.301 -5.516 9.554 1.00 0.53 O ATOM 626 NE2 GLN A 468 5.337 -6.200 11.496 1.00 0.53 N ATOM 0 H GLN A 468 0.953 -3.841 8.171 1.00 0.53 H new ATOM 0 HA GLN A 468 3.325 -2.233 8.674 1.00 0.53 H new ATOM 0 HB2 GLN A 468 4.012 -4.997 7.954 1.00 0.53 H new ATOM 0 HB3 GLN A 468 5.022 -3.645 8.426 1.00 0.53 H new ATOM 0 HG2 GLN A 468 4.065 -3.817 10.764 1.00 0.53 H new ATOM 0 HG3 GLN A 468 3.197 -5.254 10.260 1.00 0.53 H new ATOM 0 HE21 GLN A 468 4.522 -6.162 12.108 1.00 0.53 H new ATOM 0 HE22 GLN A 468 6.147 -6.760 11.761 1.00 0.53 H new ATOM 635 N ILE A 469 3.054 -2.081 6.059 1.00 0.85 N ATOM 636 CA ILE A 469 2.982 -1.881 4.631 1.00 0.85 C ATOM 637 C ILE A 469 4.407 -2.134 4.186 1.00 0.85 C ATOM 638 O ILE A 469 5.352 -1.724 4.850 1.00 0.85 O ATOM 639 CB ILE A 469 2.387 -0.502 4.380 1.00 0.85 C ATOM 640 CG1 ILE A 469 1.259 -0.614 3.354 1.00 0.85 C ATOM 641 CG2 ILE A 469 3.395 0.615 4.081 1.00 0.85 C ATOM 642 CD1 ILE A 469 -0.022 -0.001 3.911 1.00 0.85 C ATOM 0 H ILE A 469 3.430 -1.260 6.534 1.00 0.85 H new ATOM 0 HA ILE A 469 2.328 -2.534 4.053 1.00 0.85 H new ATOM 0 HB ILE A 469 1.968 -0.163 5.327 1.00 0.85 H new ATOM 0 HG12 ILE A 469 1.544 -0.106 2.433 1.00 0.85 H new ATOM 0 HG13 ILE A 469 1.090 -1.661 3.101 1.00 0.85 H new ATOM 0 HG21 ILE A 469 2.862 1.552 3.919 1.00 0.85 H new ATOM 0 HG22 ILE A 469 4.076 0.726 4.925 1.00 0.85 H new ATOM 0 HG23 ILE A 469 3.964 0.362 3.187 1.00 0.85 H new ATOM 0 HD11 ILE A 469 -0.818 -0.087 3.171 1.00 0.85 H new ATOM 0 HD12 ILE A 469 -0.313 -0.528 4.820 1.00 0.85 H new ATOM 0 HD13 ILE A 469 0.148 1.051 4.141 1.00 0.85 H new ATOM 654 N LYS A 470 4.601 -2.920 3.125 1.00 1.07 N ATOM 655 CA LYS A 470 5.885 -3.533 2.845 1.00 1.07 C ATOM 656 C LYS A 470 6.098 -3.475 1.333 1.00 1.07 C ATOM 657 O LYS A 470 5.167 -3.758 0.575 1.00 1.07 O ATOM 658 CB LYS A 470 5.635 -4.969 3.390 1.00 1.07 C ATOM 659 CG LYS A 470 6.612 -6.071 2.998 1.00 1.07 C ATOM 660 CD LYS A 470 6.474 -7.350 3.845 1.00 1.07 C ATOM 661 CE LYS A 470 6.828 -7.177 5.331 1.00 1.07 C ATOM 662 NZ LYS A 470 6.705 -8.462 6.058 1.00 1.07 N ATOM 0 H LYS A 470 3.874 -3.143 2.445 1.00 1.07 H new ATOM 0 HA LYS A 470 6.774 -3.080 3.283 1.00 1.07 H new ATOM 0 HB2 LYS A 470 5.616 -4.913 4.478 1.00 1.07 H new ATOM 0 HB3 LYS A 470 4.640 -5.278 3.070 1.00 1.07 H new ATOM 0 HG2 LYS A 470 6.460 -6.323 1.948 1.00 1.07 H new ATOM 0 HG3 LYS A 470 7.630 -5.692 3.091 1.00 1.07 H new ATOM 0 HD2 LYS A 470 5.448 -7.711 3.769 1.00 1.07 H new ATOM 0 HD3 LYS A 470 7.116 -8.122 3.420 1.00 1.07 H new ATOM 0 HE2 LYS A 470 7.846 -6.798 5.425 1.00 1.07 H new ATOM 0 HE3 LYS A 470 6.169 -6.435 5.782 1.00 1.07 H new ATOM 0 HZ1 LYS A 470 6.949 -8.319 7.059 1.00 1.07 H new ATOM 0 HZ2 LYS A 470 5.727 -8.809 5.986 1.00 1.07 H new ATOM 0 HZ3 LYS A 470 7.352 -9.161 5.640 1.00 1.07 H new ATOM 676 N ARG A 471 7.301 -3.089 0.818 1.00 1.08 N ATOM 677 CA ARG A 471 7.535 -3.052 -0.618 1.00 1.08 C ATOM 678 C ARG A 471 9.002 -3.246 -0.960 1.00 1.08 C ATOM 679 O ARG A 471 9.895 -2.743 -0.264 1.00 1.08 O ATOM 680 CB ARG A 471 6.917 -1.809 -1.316 1.00 1.08 C ATOM 681 CG ARG A 471 7.244 -0.411 -0.771 1.00 1.08 C ATOM 682 CD ARG A 471 8.290 0.345 -1.599 1.00 1.08 C ATOM 683 NE ARG A 471 8.140 1.813 -1.276 1.00 1.08 N ATOM 684 CZ ARG A 471 7.421 2.697 -2.039 1.00 1.08 C ATOM 685 NH1 ARG A 471 6.930 2.340 -3.261 1.00 1.08 N ATOM 686 NH2 ARG A 471 7.199 3.960 -1.570 1.00 1.08 N ATOM 0 H ARG A 471 8.101 -2.806 1.385 1.00 1.08 H new ATOM 0 HA ARG A 471 6.997 -3.906 -1.030 1.00 1.08 H new ATOM 0 HB2 ARG A 471 7.221 -1.834 -2.362 1.00 1.08 H new ATOM 0 HB3 ARG A 471 5.833 -1.925 -1.296 1.00 1.08 H new ATOM 0 HG2 ARG A 471 6.328 0.178 -0.734 1.00 1.08 H new ATOM 0 HG3 ARG A 471 7.604 -0.505 0.254 1.00 1.08 H new ATOM 0 HD2 ARG A 471 9.295 -0.001 -1.358 1.00 1.08 H new ATOM 0 HD3 ARG A 471 8.139 0.168 -2.664 1.00 1.08 H new ATOM 0 HE ARG A 471 8.602 2.169 -0.439 1.00 1.08 H new ATOM 0 HH11 ARG A 471 7.095 1.401 -3.622 1.00 1.08 H new ATOM 0 HH12 ARG A 471 6.398 3.012 -3.813 1.00 1.08 H new ATOM 0 HH21 ARG A 471 7.567 4.238 -0.660 1.00 1.08 H new ATOM 0 HH22 ARG A 471 6.665 4.625 -2.130 1.00 1.08 H new ATOM 700 N GLN A 472 9.256 -3.955 -2.108 1.00 0.85 N ATOM 701 CA GLN A 472 10.568 -4.137 -2.735 1.00 0.85 C ATOM 702 C GLN A 472 10.499 -3.376 -4.052 1.00 0.85 C ATOM 703 O GLN A 472 9.458 -3.376 -4.726 1.00 0.85 O ATOM 704 CB GLN A 472 10.948 -5.620 -3.031 1.00 0.85 C ATOM 705 CG GLN A 472 12.443 -5.861 -3.418 1.00 0.85 C ATOM 706 CD GLN A 472 12.711 -5.974 -4.925 1.00 0.85 C ATOM 707 OE1 GLN A 472 11.863 -6.459 -5.675 1.00 0.85 O ATOM 708 NE2 GLN A 472 13.892 -5.502 -5.397 1.00 0.85 N ATOM 0 H GLN A 472 8.512 -4.424 -2.624 1.00 0.85 H new ATOM 0 HA GLN A 472 11.333 -3.778 -2.047 1.00 0.85 H new ATOM 0 HB2 GLN A 472 10.716 -6.220 -2.151 1.00 0.85 H new ATOM 0 HB3 GLN A 472 10.317 -5.985 -3.841 1.00 0.85 H new ATOM 0 HG2 GLN A 472 13.043 -5.044 -3.017 1.00 0.85 H new ATOM 0 HG3 GLN A 472 12.786 -6.775 -2.933 1.00 0.85 H new ATOM 0 HE21 GLN A 472 14.577 -5.105 -4.753 1.00 0.85 H new ATOM 0 HE22 GLN A 472 14.095 -5.544 -6.396 1.00 0.85 H new ATOM 762 N PRO A 477 16.965 -1.593 -2.981 1.00 0.88 N ATOM 763 CA PRO A 477 16.624 -1.957 -1.596 1.00 0.88 C ATOM 764 C PRO A 477 15.160 -2.213 -1.185 1.00 0.88 C ATOM 765 O PRO A 477 14.188 -1.875 -1.867 1.00 0.88 O ATOM 766 CB PRO A 477 17.234 -0.817 -0.746 1.00 0.88 C ATOM 767 CG PRO A 477 18.403 -0.315 -1.585 1.00 0.88 C ATOM 768 CD PRO A 477 17.847 -0.419 -2.999 1.00 0.88 C ATOM 0 HA PRO A 477 17.021 -2.961 -1.443 1.00 0.88 H new ATOM 0 HB2 PRO A 477 16.508 -0.026 -0.560 1.00 0.88 H new ATOM 0 HB3 PRO A 477 17.567 -1.179 0.227 1.00 0.88 H new ATOM 0 HG2 PRO A 477 18.679 0.708 -1.329 1.00 0.88 H new ATOM 0 HG3 PRO A 477 19.294 -0.928 -1.451 1.00 0.88 H new ATOM 0 HD2 PRO A 477 17.298 0.482 -3.273 1.00 0.88 H new ATOM 0 HD3 PRO A 477 18.648 -0.539 -3.729 1.00 0.88 H new ATOM 776 N LEU A 478 15.064 -2.836 0.014 1.00 0.93 N ATOM 777 CA LEU A 478 13.894 -3.272 0.756 1.00 0.93 C ATOM 778 C LEU A 478 13.271 -2.274 1.762 1.00 0.93 C ATOM 779 O LEU A 478 13.873 -1.946 2.786 1.00 0.93 O ATOM 780 CB LEU A 478 14.268 -4.592 1.452 1.00 0.93 C ATOM 781 CG LEU A 478 13.285 -5.775 1.356 1.00 0.93 C ATOM 782 CD1 LEU A 478 11.823 -5.376 1.538 1.00 0.93 C ATOM 783 CD2 LEU A 478 13.479 -6.535 0.040 1.00 0.93 C ATOM 0 H LEU A 478 15.914 -3.064 0.530 1.00 0.93 H new ATOM 0 HA LEU A 478 13.094 -3.380 0.024 1.00 0.93 H new ATOM 0 HB2 LEU A 478 15.225 -4.922 1.047 1.00 0.93 H new ATOM 0 HB3 LEU A 478 14.427 -4.377 2.509 1.00 0.93 H new ATOM 0 HG LEU A 478 13.524 -6.433 2.192 1.00 0.93 H new ATOM 0 HD11 LEU A 478 11.192 -6.261 1.457 1.00 0.93 H new ATOM 0 HD12 LEU A 478 11.689 -4.923 2.520 1.00 0.93 H new ATOM 0 HD13 LEU A 478 11.543 -4.659 0.766 1.00 0.93 H new ATOM 0 HD21 LEU A 478 12.775 -7.366 -0.007 1.00 0.93 H new ATOM 0 HD22 LEU A 478 13.302 -5.862 -0.799 1.00 0.93 H new ATOM 0 HD23 LEU A 478 14.498 -6.919 -0.012 1.00 0.93 H new ATOM 795 N LEU A 479 12.017 -1.793 1.525 1.00 0.81 N ATOM 796 CA LEU A 479 11.278 -0.945 2.433 1.00 0.81 C ATOM 797 C LEU A 479 10.111 -1.616 3.141 1.00 0.81 C ATOM 798 O LEU A 479 9.474 -2.548 2.653 1.00 0.81 O ATOM 799 CB LEU A 479 10.752 0.265 1.675 1.00 0.81 C ATOM 800 CG LEU A 479 11.615 1.486 2.012 1.00 0.81 C ATOM 801 CD1 LEU A 479 11.468 1.980 3.472 1.00 0.81 C ATOM 802 CD2 LEU A 479 13.089 1.342 1.596 1.00 0.81 C ATOM 0 H LEU A 479 11.503 -2.004 0.670 1.00 0.81 H new ATOM 0 HA LEU A 479 11.988 -0.670 3.213 1.00 0.81 H new ATOM 0 HB2 LEU A 479 10.774 0.074 0.602 1.00 0.81 H new ATOM 0 HB3 LEU A 479 9.713 0.454 1.944 1.00 0.81 H new ATOM 0 HG LEU A 479 11.200 2.276 1.386 1.00 0.81 H new ATOM 0 HD11 LEU A 479 12.111 2.846 3.630 1.00 0.81 H new ATOM 0 HD12 LEU A 479 10.431 2.259 3.659 1.00 0.81 H new ATOM 0 HD13 LEU A 479 11.759 1.183 4.157 1.00 0.81 H new ATOM 0 HD21 LEU A 479 13.634 2.246 1.868 1.00 0.81 H new ATOM 0 HD22 LEU A 479 13.529 0.486 2.107 1.00 0.81 H new ATOM 0 HD23 LEU A 479 13.150 1.192 0.518 1.00 0.81 H new ATOM 814 N THR A 480 9.753 -1.076 4.325 1.00 0.69 N ATOM 815 CA THR A 480 8.524 -1.378 5.037 1.00 0.69 C ATOM 816 C THR A 480 8.308 -0.100 5.791 1.00 0.69 C ATOM 817 O THR A 480 9.270 0.515 6.252 1.00 0.69 O ATOM 818 CB THR A 480 8.563 -2.604 5.970 1.00 0.69 C ATOM 819 OG1 THR A 480 8.564 -3.802 5.213 1.00 0.69 O ATOM 820 CG2 THR A 480 7.446 -2.688 7.054 1.00 0.69 C ATOM 0 H THR A 480 10.339 -0.399 4.814 1.00 0.69 H new ATOM 0 HA THR A 480 7.723 -1.669 4.357 1.00 0.69 H new ATOM 0 HB THR A 480 9.491 -2.474 6.526 1.00 0.69 H new ATOM 0 HG1 THR A 480 8.814 -3.603 4.287 1.00 0.69 H new ATOM 0 HG21 THR A 480 7.581 -3.593 7.646 1.00 0.69 H new ATOM 0 HG22 THR A 480 7.505 -1.816 7.705 1.00 0.69 H new ATOM 0 HG23 THR A 480 6.470 -2.714 6.569 1.00 0.69 H new ATOM 828 N TYR A 481 7.028 0.291 5.966 1.00 0.73 N ATOM 829 CA TYR A 481 6.558 1.337 6.845 1.00 0.73 C ATOM 830 C TYR A 481 5.617 0.607 7.810 1.00 0.73 C ATOM 831 O TYR A 481 4.694 -0.100 7.389 1.00 0.73 O ATOM 832 CB TYR A 481 5.888 2.542 6.079 1.00 0.73 C ATOM 833 CG TYR A 481 4.981 3.517 6.848 1.00 0.73 C ATOM 834 CD1 TYR A 481 5.144 3.834 8.213 1.00 0.73 C ATOM 835 CD2 TYR A 481 3.931 4.152 6.158 1.00 0.73 C ATOM 836 CE1 TYR A 481 4.283 4.725 8.865 1.00 0.73 C ATOM 837 CE2 TYR A 481 3.081 5.068 6.802 1.00 0.73 C ATOM 838 CZ TYR A 481 3.248 5.340 8.165 1.00 0.73 C ATOM 839 OH TYR A 481 2.393 6.221 8.865 1.00 0.73 O ATOM 0 H TYR A 481 6.263 -0.154 5.458 1.00 0.73 H new ATOM 0 HA TYR A 481 7.371 1.834 7.374 1.00 0.73 H new ATOM 0 HB2 TYR A 481 6.689 3.128 5.627 1.00 0.73 H new ATOM 0 HB3 TYR A 481 5.300 2.123 5.262 1.00 0.73 H new ATOM 0 HD1 TYR A 481 5.951 3.379 8.768 1.00 0.73 H new ATOM 0 HD2 TYR A 481 3.775 3.931 5.112 1.00 0.73 H new ATOM 0 HE1 TYR A 481 4.422 4.936 9.915 1.00 0.73 H new ATOM 0 HE2 TYR A 481 2.299 5.562 6.245 1.00 0.73 H new ATOM 0 HH TYR A 481 2.317 7.064 8.371 1.00 0.73 H new ATOM 849 N ARG A 482 5.863 0.775 9.137 1.00 0.84 N ATOM 850 CA ARG A 482 5.099 0.197 10.232 1.00 0.84 C ATOM 851 C ARG A 482 4.124 1.206 10.845 1.00 0.84 C ATOM 852 O ARG A 482 4.420 2.388 11.023 1.00 0.84 O ATOM 853 CB ARG A 482 6.054 -0.379 11.308 1.00 0.84 C ATOM 854 CG ARG A 482 5.366 -1.206 12.415 1.00 0.84 C ATOM 855 CD ARG A 482 6.353 -1.991 13.293 1.00 0.84 C ATOM 856 NE ARG A 482 6.989 -3.070 12.454 1.00 0.84 N ATOM 857 CZ ARG A 482 8.156 -3.704 12.792 1.00 0.84 C ATOM 858 NH1 ARG A 482 8.834 -3.367 13.927 1.00 0.84 N ATOM 859 NH2 ARG A 482 8.645 -4.683 11.976 1.00 0.84 N ATOM 0 H ARG A 482 6.640 1.347 9.468 1.00 0.84 H new ATOM 0 HA ARG A 482 4.499 -0.617 9.825 1.00 0.84 H new ATOM 0 HB2 ARG A 482 6.796 -1.006 10.815 1.00 0.84 H new ATOM 0 HB3 ARG A 482 6.593 0.446 11.774 1.00 0.84 H new ATOM 0 HG2 ARG A 482 4.781 -0.538 13.047 1.00 0.84 H new ATOM 0 HG3 ARG A 482 4.666 -1.904 11.955 1.00 0.84 H new ATOM 0 HD2 ARG A 482 7.116 -1.324 13.694 1.00 0.84 H new ATOM 0 HD3 ARG A 482 5.835 -2.430 14.145 1.00 0.84 H new ATOM 0 HE ARG A 482 6.525 -3.343 11.587 1.00 0.84 H new ATOM 0 HH11 ARG A 482 8.474 -2.634 14.538 1.00 0.84 H new ATOM 0 HH12 ARG A 482 9.701 -3.848 14.165 1.00 0.84 H new ATOM 0 HH21 ARG A 482 8.143 -4.936 11.125 1.00 0.84 H new ATOM 0 HH22 ARG A 482 9.513 -5.162 12.217 1.00 0.84 H new ATOM 873 N PHE A 483 2.903 0.717 11.187 1.00 0.68 N ATOM 874 CA PHE A 483 1.771 1.437 11.745 1.00 0.68 C ATOM 875 C PHE A 483 1.752 1.490 13.302 1.00 0.68 C ATOM 876 O PHE A 483 2.403 0.697 13.983 1.00 0.68 O ATOM 877 CB PHE A 483 0.471 0.903 11.067 1.00 0.68 C ATOM 878 CG PHE A 483 0.091 1.738 9.857 1.00 0.68 C ATOM 879 CD1 PHE A 483 0.913 1.777 8.713 1.00 0.68 C ATOM 880 CD2 PHE A 483 -1.071 2.531 9.870 1.00 0.68 C ATOM 881 CE1 PHE A 483 0.640 2.669 7.666 1.00 0.68 C ATOM 882 CE2 PHE A 483 -1.348 3.421 8.827 1.00 0.68 C ATOM 883 CZ PHE A 483 -0.474 3.517 7.740 1.00 0.68 C ATOM 0 H PHE A 483 2.687 -0.272 11.062 1.00 0.68 H new ATOM 0 HA PHE A 483 1.858 2.497 11.507 1.00 0.68 H new ATOM 0 HB2 PHE A 483 0.617 -0.134 10.764 1.00 0.68 H new ATOM 0 HB3 PHE A 483 -0.347 0.912 11.788 1.00 0.68 H new ATOM 0 HD1 PHE A 483 1.762 1.113 8.642 1.00 0.68 H new ATOM 0 HD2 PHE A 483 -1.760 2.451 10.698 1.00 0.68 H new ATOM 0 HE1 PHE A 483 1.288 2.703 6.803 1.00 0.68 H new ATOM 0 HE2 PHE A 483 -2.237 4.034 8.861 1.00 0.68 H new ATOM 0 HZ PHE A 483 -0.656 4.242 6.960 1.00 0.68 H new ATOM 893 N PRO A 484 0.993 2.452 13.894 1.00 0.53 N ATOM 894 CA PRO A 484 0.967 2.791 15.324 1.00 0.53 C ATOM 895 C PRO A 484 -0.104 1.989 16.095 1.00 0.53 C ATOM 896 O PRO A 484 -1.234 2.047 15.626 1.00 0.53 O ATOM 897 CB PRO A 484 0.572 4.284 15.243 1.00 0.53 C ATOM 898 CG PRO A 484 -0.384 4.405 14.035 1.00 0.53 C ATOM 899 CD PRO A 484 -0.009 3.211 13.150 1.00 0.53 C ATOM 0 HA PRO A 484 1.897 2.576 15.849 1.00 0.53 H new ATOM 0 HB2 PRO A 484 0.084 4.609 16.162 1.00 0.53 H new ATOM 0 HB3 PRO A 484 1.451 4.914 15.110 1.00 0.53 H new ATOM 0 HG2 PRO A 484 -1.428 4.361 14.345 1.00 0.53 H new ATOM 0 HG3 PRO A 484 -0.247 5.350 13.510 1.00 0.53 H new ATOM 0 HD2 PRO A 484 -0.883 2.596 12.935 1.00 0.53 H new ATOM 0 HD3 PRO A 484 0.388 3.546 12.192 1.00 0.53 H new ATOM 907 N PRO A 485 0.033 1.346 17.278 1.00 0.68 N ATOM 908 CA PRO A 485 -0.944 0.382 17.868 1.00 0.68 C ATOM 909 C PRO A 485 -2.320 0.921 18.352 1.00 0.68 C ATOM 910 O PRO A 485 -2.857 0.406 19.331 1.00 0.68 O ATOM 911 CB PRO A 485 -0.129 -0.215 19.038 1.00 0.68 C ATOM 912 CG PRO A 485 0.823 0.902 19.438 1.00 0.68 C ATOM 913 CD PRO A 485 1.245 1.459 18.085 1.00 0.68 C ATOM 0 HA PRO A 485 -1.283 -0.311 17.098 1.00 0.68 H new ATOM 0 HB2 PRO A 485 -0.775 -0.503 19.867 1.00 0.68 H new ATOM 0 HB3 PRO A 485 0.413 -1.109 18.730 1.00 0.68 H new ATOM 0 HG2 PRO A 485 0.332 1.655 20.054 1.00 0.68 H new ATOM 0 HG3 PRO A 485 1.673 0.528 20.009 1.00 0.68 H new ATOM 0 HD2 PRO A 485 1.580 2.493 18.163 1.00 0.68 H new ATOM 0 HD3 PRO A 485 2.068 0.889 17.655 1.00 0.68 H new ATOM 921 N LYS A 486 -2.922 1.936 17.686 1.00 0.85 N ATOM 922 CA LYS A 486 -4.148 2.619 18.105 1.00 0.85 C ATOM 923 C LYS A 486 -5.406 2.607 17.266 1.00 0.85 C ATOM 924 O LYS A 486 -6.516 2.686 17.779 1.00 0.85 O ATOM 925 CB LYS A 486 -3.789 4.085 18.472 1.00 0.85 C ATOM 926 CG LYS A 486 -3.161 4.904 17.323 1.00 0.85 C ATOM 927 CD LYS A 486 -2.838 6.350 17.732 1.00 0.85 C ATOM 928 CE LYS A 486 -2.171 7.169 16.616 1.00 0.85 C ATOM 929 NZ LYS A 486 -3.052 7.298 15.431 1.00 0.85 N ATOM 0 H LYS A 486 -2.546 2.307 16.813 1.00 0.85 H new ATOM 0 HA LYS A 486 -4.469 1.980 18.928 1.00 0.85 H new ATOM 0 HB2 LYS A 486 -4.693 4.592 18.809 1.00 0.85 H new ATOM 0 HB3 LYS A 486 -3.096 4.075 19.313 1.00 0.85 H new ATOM 0 HG2 LYS A 486 -2.247 4.412 16.989 1.00 0.85 H new ATOM 0 HG3 LYS A 486 -3.845 4.915 16.474 1.00 0.85 H new ATOM 0 HD2 LYS A 486 -3.759 6.847 18.036 1.00 0.85 H new ATOM 0 HD3 LYS A 486 -2.182 6.335 18.602 1.00 0.85 H new ATOM 0 HE2 LYS A 486 -1.920 8.161 16.993 1.00 0.85 H new ATOM 0 HE3 LYS A 486 -1.235 6.692 16.324 1.00 0.85 H new ATOM 0 HZ1 LYS A 486 -2.613 7.940 14.740 1.00 0.85 H new ATOM 0 HZ2 LYS A 486 -3.189 6.363 14.997 1.00 0.85 H new ATOM 0 HZ3 LYS A 486 -3.973 7.682 15.723 1.00 0.85 H new ATOM 943 N PHE A 487 -5.263 2.570 15.952 1.00 0.81 N ATOM 944 CA PHE A 487 -6.327 2.723 14.946 1.00 0.81 C ATOM 945 C PHE A 487 -7.058 1.416 14.530 1.00 0.81 C ATOM 946 O PHE A 487 -6.580 0.295 14.698 1.00 0.81 O ATOM 947 CB PHE A 487 -5.721 3.564 13.756 1.00 0.81 C ATOM 948 CG PHE A 487 -6.624 3.830 12.568 1.00 0.81 C ATOM 949 CD1 PHE A 487 -7.483 4.935 12.459 1.00 0.81 C ATOM 950 CD2 PHE A 487 -6.643 2.863 11.561 1.00 0.81 C ATOM 951 CE1 PHE A 487 -8.341 5.053 11.354 1.00 0.81 C ATOM 952 CE2 PHE A 487 -7.510 2.948 10.470 1.00 0.81 C ATOM 953 CZ PHE A 487 -8.359 4.056 10.363 1.00 0.81 C ATOM 0 H PHE A 487 -4.350 2.424 15.522 1.00 0.81 H new ATOM 0 HA PHE A 487 -7.163 3.264 15.390 1.00 0.81 H new ATOM 0 HB2 PHE A 487 -5.393 4.525 14.153 1.00 0.81 H new ATOM 0 HB3 PHE A 487 -4.831 3.048 13.396 1.00 0.81 H new ATOM 0 HD1 PHE A 487 -7.484 5.695 13.226 1.00 0.81 H new ATOM 0 HD2 PHE A 487 -5.966 2.024 11.628 1.00 0.81 H new ATOM 0 HE1 PHE A 487 -8.989 5.912 11.265 1.00 0.81 H new ATOM 0 HE2 PHE A 487 -7.525 2.171 9.720 1.00 0.81 H new ATOM 0 HZ PHE A 487 -9.028 4.145 9.519 1.00 0.81 H new ATOM 963 N THR A 488 -8.267 1.571 13.921 1.00 0.82 N ATOM 964 CA THR A 488 -9.137 0.549 13.330 1.00 0.82 C ATOM 965 C THR A 488 -9.873 1.185 12.165 1.00 0.82 C ATOM 966 O THR A 488 -10.331 2.320 12.246 1.00 0.82 O ATOM 967 CB THR A 488 -10.128 -0.109 14.305 1.00 0.82 C ATOM 968 OG1 THR A 488 -9.359 -0.912 15.201 1.00 0.82 O ATOM 969 CG2 THR A 488 -11.195 -1.018 13.623 1.00 0.82 C ATOM 0 H THR A 488 -8.681 2.499 13.830 1.00 0.82 H new ATOM 0 HA THR A 488 -8.497 -0.273 13.008 1.00 0.82 H new ATOM 0 HB THR A 488 -10.682 0.689 14.799 1.00 0.82 H new ATOM 0 HG1 THR A 488 -8.405 -0.745 15.053 1.00 0.82 H new ATOM 0 HG21 THR A 488 -11.852 -1.441 14.383 1.00 0.82 H new ATOM 0 HG22 THR A 488 -11.784 -0.425 12.923 1.00 0.82 H new ATOM 0 HG23 THR A 488 -10.696 -1.824 13.085 1.00 0.82 H new ATOM 977 N LEU A 489 -10.009 0.410 11.064 1.00 0.93 N ATOM 978 CA LEU A 489 -10.704 0.625 9.821 1.00 0.93 C ATOM 979 C LEU A 489 -12.045 -0.067 9.968 1.00 0.93 C ATOM 980 O LEU A 489 -12.194 -1.103 10.609 1.00 0.93 O ATOM 981 CB LEU A 489 -9.777 0.072 8.678 1.00 0.93 C ATOM 982 CG LEU A 489 -10.304 -0.846 7.548 1.00 0.93 C ATOM 983 CD1 LEU A 489 -11.434 -0.191 6.777 1.00 0.93 C ATOM 984 CD2 LEU A 489 -9.182 -1.222 6.558 1.00 0.93 C ATOM 0 H LEU A 489 -9.560 -0.506 11.051 1.00 0.93 H new ATOM 0 HA LEU A 489 -10.908 1.665 9.568 1.00 0.93 H new ATOM 0 HB2 LEU A 489 -9.331 0.940 8.192 1.00 0.93 H new ATOM 0 HB3 LEU A 489 -8.968 -0.470 9.168 1.00 0.93 H new ATOM 0 HG LEU A 489 -10.677 -1.748 8.033 1.00 0.93 H new ATOM 0 HD11 LEU A 489 -11.778 -0.865 5.992 1.00 0.93 H new ATOM 0 HD12 LEU A 489 -12.259 0.027 7.455 1.00 0.93 H new ATOM 0 HD13 LEU A 489 -11.079 0.737 6.328 1.00 0.93 H new ATOM 0 HD21 LEU A 489 -9.586 -1.867 5.778 1.00 0.93 H new ATOM 0 HD22 LEU A 489 -8.777 -0.317 6.107 1.00 0.93 H new ATOM 0 HD23 LEU A 489 -8.389 -1.749 7.089 1.00 0.93 H new ATOM 996 N LYS A 490 -13.057 0.585 9.388 1.00 0.79 N ATOM 997 CA LYS A 490 -14.454 0.329 9.420 1.00 0.79 C ATOM 998 C LYS A 490 -14.869 -0.374 8.140 1.00 0.79 C ATOM 999 O LYS A 490 -14.531 0.171 7.104 1.00 0.79 O ATOM 1000 CB LYS A 490 -15.114 1.761 9.317 1.00 0.79 C ATOM 1001 CG LYS A 490 -14.474 2.807 10.263 1.00 0.79 C ATOM 1002 CD LYS A 490 -14.758 2.522 11.748 1.00 0.79 C ATOM 1003 CE LYS A 490 -14.021 3.472 12.705 1.00 0.79 C ATOM 1004 NZ LYS A 490 -14.444 4.877 12.509 1.00 0.79 N ATOM 0 H LYS A 490 -12.862 1.407 8.817 1.00 0.79 H new ATOM 0 HA LYS A 490 -14.729 -0.258 10.296 1.00 0.79 H new ATOM 0 HB2 LYS A 490 -15.034 2.116 8.289 1.00 0.79 H new ATOM 0 HB3 LYS A 490 -16.177 1.679 9.545 1.00 0.79 H new ATOM 0 HG2 LYS A 490 -13.396 2.825 10.101 1.00 0.79 H new ATOM 0 HG3 LYS A 490 -14.851 3.798 10.010 1.00 0.79 H new ATOM 0 HD2 LYS A 490 -15.831 2.599 11.926 1.00 0.79 H new ATOM 0 HD3 LYS A 490 -14.470 1.495 11.974 1.00 0.79 H new ATOM 0 HE2 LYS A 490 -14.214 3.173 13.735 1.00 0.79 H new ATOM 0 HE3 LYS A 490 -12.946 3.389 12.545 1.00 0.79 H new ATOM 0 HZ1 LYS A 490 -13.952 5.486 13.193 1.00 0.79 H new ATOM 0 HZ2 LYS A 490 -14.206 5.180 11.543 1.00 0.79 H new ATOM 0 HZ3 LYS A 490 -15.471 4.954 12.653 1.00 0.79 H new ATOM 1018 N ALA A 491 -15.616 -1.514 8.114 1.00 0.40 N ATOM 1019 CA ALA A 491 -16.302 -2.169 6.975 1.00 0.40 C ATOM 1020 C ALA A 491 -16.681 -1.280 5.742 1.00 0.40 C ATOM 1021 O ALA A 491 -17.648 -0.526 5.778 1.00 0.40 O ATOM 1022 CB ALA A 491 -17.627 -2.714 7.561 1.00 0.40 C ATOM 0 H ALA A 491 -15.764 -2.043 8.974 1.00 0.40 H new ATOM 0 HA ALA A 491 -15.597 -2.898 6.576 1.00 0.40 H new ATOM 0 HB1 ALA A 491 -18.193 -3.215 6.776 1.00 0.40 H new ATOM 0 HB2 ALA A 491 -17.407 -3.424 8.359 1.00 0.40 H new ATOM 0 HB3 ALA A 491 -18.215 -1.888 7.962 1.00 0.40 H new ATOM 1028 N GLY A 492 -15.768 -1.259 4.737 1.00 0.27 N ATOM 1029 CA GLY A 492 -15.534 -0.296 3.646 1.00 0.27 C ATOM 1030 C GLY A 492 -15.476 1.206 3.834 1.00 0.27 C ATOM 1031 O GLY A 492 -16.134 1.981 3.148 1.00 0.27 O ATOM 0 H GLY A 492 -15.093 -2.021 4.671 1.00 0.27 H new ATOM 0 HA2 GLY A 492 -14.587 -0.581 3.188 1.00 0.27 H new ATOM 0 HA3 GLY A 492 -16.314 -0.479 2.907 1.00 0.27 H new ATOM 1035 N GLN A 493 -14.531 1.629 4.711 1.00 0.35 N ATOM 1036 CA GLN A 493 -14.024 2.978 4.939 1.00 0.35 C ATOM 1037 C GLN A 493 -12.934 3.181 3.858 1.00 0.35 C ATOM 1038 O GLN A 493 -12.356 2.163 3.449 1.00 0.35 O ATOM 1039 CB GLN A 493 -13.412 3.110 6.374 1.00 0.35 C ATOM 1040 CG GLN A 493 -12.155 3.979 6.662 1.00 0.35 C ATOM 1041 CD GLN A 493 -10.838 3.192 6.619 1.00 0.35 C ATOM 1042 OE1 GLN A 493 -10.590 2.390 5.552 1.00 0.35 O flip ATOM 1043 NE2 GLN A 493 -10.096 3.210 7.598 1.00 0.35 N flip ATOM 0 H GLN A 493 -14.070 0.960 5.328 1.00 0.35 H new ATOM 0 HA GLN A 493 -14.813 3.727 4.873 1.00 0.35 H new ATOM 0 HB2 GLN A 493 -14.206 3.484 7.020 1.00 0.35 H new ATOM 0 HB3 GLN A 493 -13.178 2.100 6.709 1.00 0.35 H new ATOM 0 HG2 GLN A 493 -12.109 4.788 5.933 1.00 0.35 H new ATOM 0 HG3 GLN A 493 -12.260 4.440 7.644 1.00 0.35 H new ATOM 0 HE21 GLN A 493 -10.306 3.822 8.386 1.00 0.35 H new ATOM 0 HE22 GLN A 493 -9.270 2.613 7.623 1.00 0.35 H new ATOM 1052 N VAL A 494 -12.525 4.428 3.470 1.00 0.36 N ATOM 1053 CA VAL A 494 -11.345 4.687 2.610 1.00 0.36 C ATOM 1054 C VAL A 494 -10.119 5.076 3.454 1.00 0.36 C ATOM 1055 O VAL A 494 -10.268 5.739 4.479 1.00 0.36 O ATOM 1056 CB VAL A 494 -11.606 5.813 1.595 1.00 0.36 C ATOM 1057 CG1 VAL A 494 -10.350 6.175 0.752 1.00 0.36 C ATOM 1058 CG2 VAL A 494 -12.755 5.356 0.672 1.00 0.36 C ATOM 0 H VAL A 494 -13.012 5.279 3.751 1.00 0.36 H new ATOM 0 HA VAL A 494 -11.152 3.758 2.073 1.00 0.36 H new ATOM 0 HB VAL A 494 -11.871 6.718 2.142 1.00 0.36 H new ATOM 0 HG11 VAL A 494 -10.598 6.975 0.055 1.00 0.36 H new ATOM 0 HG12 VAL A 494 -9.550 6.506 1.414 1.00 0.36 H new ATOM 0 HG13 VAL A 494 -10.020 5.298 0.195 1.00 0.36 H new ATOM 0 HG21 VAL A 494 -12.965 6.135 -0.061 1.00 0.36 H new ATOM 0 HG22 VAL A 494 -12.465 4.441 0.156 1.00 0.36 H new ATOM 0 HG23 VAL A 494 -13.648 5.169 1.268 1.00 0.36 H new ATOM 1068 N VAL A 495 -8.871 4.712 3.006 1.00 0.55 N ATOM 1069 CA VAL A 495 -7.603 5.109 3.610 1.00 0.55 C ATOM 1070 C VAL A 495 -6.416 4.990 2.653 1.00 0.55 C ATOM 1071 O VAL A 495 -6.040 3.929 2.171 1.00 0.55 O ATOM 1072 CB VAL A 495 -7.368 4.402 4.949 1.00 0.55 C ATOM 1073 CG1 VAL A 495 -7.279 2.874 4.743 1.00 0.55 C ATOM 1074 CG2 VAL A 495 -6.180 4.988 5.744 1.00 0.55 C ATOM 0 H VAL A 495 -8.745 4.116 2.188 1.00 0.55 H new ATOM 0 HA VAL A 495 -7.683 6.174 3.828 1.00 0.55 H new ATOM 0 HB VAL A 495 -8.234 4.593 5.583 1.00 0.55 H new ATOM 0 HG11 VAL A 495 -7.112 2.386 5.703 1.00 0.55 H new ATOM 0 HG12 VAL A 495 -8.210 2.511 4.309 1.00 0.55 H new ATOM 0 HG13 VAL A 495 -6.452 2.645 4.071 1.00 0.55 H new ATOM 0 HG21 VAL A 495 -6.066 4.444 6.682 1.00 0.55 H new ATOM 0 HG22 VAL A 495 -5.267 4.893 5.156 1.00 0.55 H new ATOM 0 HG23 VAL A 495 -6.368 6.041 5.956 1.00 0.55 H new ATOM 1084 N THR A 496 -5.741 6.123 2.347 1.00 0.72 N ATOM 1085 CA THR A 496 -4.539 6.193 1.501 1.00 0.72 C ATOM 1086 C THR A 496 -3.249 6.151 2.317 1.00 0.72 C ATOM 1087 O THR A 496 -2.992 6.957 3.213 1.00 0.72 O ATOM 1088 CB THR A 496 -4.480 7.497 0.659 1.00 0.72 C ATOM 1089 OG1 THR A 496 -5.528 7.535 -0.295 1.00 0.72 O ATOM 1090 CG2 THR A 496 -3.194 7.701 -0.181 1.00 0.72 C ATOM 0 H THR A 496 -6.031 7.037 2.695 1.00 0.72 H new ATOM 0 HA THR A 496 -4.614 5.320 0.853 1.00 0.72 H new ATOM 0 HB THR A 496 -4.540 8.271 1.424 1.00 0.72 H new ATOM 0 HG1 THR A 496 -5.470 8.366 -0.811 1.00 0.72 H new ATOM 0 HG21 THR A 496 -3.262 8.642 -0.727 1.00 0.72 H new ATOM 0 HG22 THR A 496 -2.328 7.727 0.480 1.00 0.72 H new ATOM 0 HG23 THR A 496 -3.087 6.878 -0.888 1.00 0.72 H new ATOM 1098 N ILE A 497 -2.340 5.211 1.972 1.00 0.70 N ATOM 1099 CA ILE A 497 -0.990 5.163 2.510 1.00 0.70 C ATOM 1100 C ILE A 497 -0.056 5.436 1.338 1.00 0.70 C ATOM 1101 O ILE A 497 -0.345 4.970 0.235 1.00 0.70 O ATOM 1102 CB ILE A 497 -0.689 3.824 3.196 1.00 0.70 C ATOM 1103 CG1 ILE A 497 -1.703 3.605 4.332 1.00 0.70 C ATOM 1104 CG2 ILE A 497 0.657 3.888 3.948 1.00 0.70 C ATOM 1105 CD1 ILE A 497 -3.065 3.000 3.990 1.00 0.70 C ATOM 0 H ILE A 497 -2.539 4.465 1.306 1.00 0.70 H new ATOM 0 HA ILE A 497 -0.855 5.910 3.293 1.00 0.70 H new ATOM 0 HB ILE A 497 -0.706 3.057 2.422 1.00 0.70 H new ATOM 0 HG12 ILE A 497 -1.233 2.962 5.076 1.00 0.70 H new ATOM 0 HG13 ILE A 497 -1.879 4.569 4.809 1.00 0.70 H new ATOM 0 HG21 ILE A 497 0.852 2.929 4.428 1.00 0.70 H new ATOM 0 HG22 ILE A 497 1.458 4.110 3.243 1.00 0.70 H new ATOM 0 HG23 ILE A 497 0.614 4.670 4.706 1.00 0.70 H new ATOM 0 HD11 ILE A 497 -3.662 2.911 4.898 1.00 0.70 H new ATOM 0 HD12 ILE A 497 -3.581 3.644 3.278 1.00 0.70 H new ATOM 0 HD13 ILE A 497 -2.924 2.013 3.550 1.00 0.70 H new ATOM 1117 N TRP A 498 1.106 6.126 1.595 1.00 0.58 N ATOM 1118 CA TRP A 498 2.244 6.321 0.646 1.00 0.58 C ATOM 1119 C TRP A 498 3.481 7.171 0.966 1.00 0.58 C ATOM 1120 O TRP A 498 3.881 7.267 2.122 1.00 0.58 O ATOM 1121 CB TRP A 498 1.971 6.188 -0.884 1.00 0.58 C ATOM 1122 CG TRP A 498 2.608 4.922 -1.474 1.00 0.58 C ATOM 1123 CD1 TRP A 498 3.296 4.860 -2.638 1.00 0.58 C ATOM 1124 CD2 TRP A 498 2.792 3.618 -0.860 1.00 0.58 C ATOM 1125 NE1 TRP A 498 3.813 3.630 -2.833 1.00 0.58 N ATOM 1126 CE2 TRP A 498 3.590 2.863 -1.739 1.00 0.58 C ATOM 1127 CE3 TRP A 498 2.374 3.061 0.343 1.00 0.58 C ATOM 1128 CZ2 TRP A 498 4.005 1.577 -1.432 1.00 0.58 C ATOM 1129 CZ3 TRP A 498 2.821 1.789 0.677 1.00 0.58 C ATOM 1130 CH2 TRP A 498 3.639 1.063 -0.183 1.00 0.58 C ATOM 0 H TRP A 498 1.274 6.572 2.497 1.00 0.58 H new ATOM 0 HA TRP A 498 2.611 5.370 1.032 1.00 0.58 H new ATOM 0 HB2 TRP A 498 0.895 6.168 -1.060 1.00 0.58 H new ATOM 0 HB3 TRP A 498 2.362 7.065 -1.400 1.00 0.58 H new ATOM 0 HD1 TRP A 498 3.415 5.688 -3.321 1.00 0.58 H new ATOM 0 HE1 TRP A 498 4.298 3.324 -3.676 1.00 0.58 H new ATOM 0 HE3 TRP A 498 1.716 3.606 1.004 1.00 0.58 H new ATOM 0 HZ2 TRP A 498 4.588 0.994 -2.130 1.00 0.58 H new ATOM 0 HZ3 TRP A 498 2.528 1.355 1.622 1.00 0.58 H new ATOM 0 HH2 TRP A 498 3.996 0.089 0.118 1.00 0.58 H new ATOM 1141 N ALA A 499 4.206 7.733 -0.061 1.00 0.33 N ATOM 1142 CA ALA A 499 5.458 8.480 0.078 1.00 0.33 C ATOM 1143 C ALA A 499 5.234 9.966 0.320 1.00 0.33 C ATOM 1144 O ALA A 499 4.234 10.529 -0.136 1.00 0.33 O ATOM 1145 CB ALA A 499 6.410 8.226 -1.119 1.00 0.33 C ATOM 0 H ALA A 499 3.903 7.662 -1.032 1.00 0.33 H new ATOM 0 HA ALA A 499 5.949 8.098 0.973 1.00 0.33 H new ATOM 0 HB1 ALA A 499 7.328 8.797 -0.981 1.00 0.33 H new ATOM 0 HB2 ALA A 499 6.648 7.164 -1.176 1.00 0.33 H new ATOM 0 HB3 ALA A 499 5.924 8.539 -2.043 1.00 0.33 H new ATOM 1151 N ALA A 500 6.175 10.636 1.075 1.00 0.18 N ATOM 1152 CA ALA A 500 6.101 12.060 1.480 1.00 0.18 C ATOM 1153 C ALA A 500 5.909 13.100 0.379 1.00 0.18 C ATOM 1154 O ALA A 500 5.080 13.997 0.488 1.00 0.18 O ATOM 1155 CB ALA A 500 7.319 12.470 2.335 1.00 0.18 C ATOM 0 H ALA A 500 7.018 10.176 1.418 1.00 0.18 H new ATOM 0 HA ALA A 500 5.174 12.078 2.053 1.00 0.18 H new ATOM 0 HB1 ALA A 500 7.231 13.520 2.614 1.00 0.18 H new ATOM 0 HB2 ALA A 500 7.354 11.857 3.236 1.00 0.18 H new ATOM 0 HB3 ALA A 500 8.233 12.323 1.760 1.00 0.18 H new ATOM 1161 N GLY A 501 6.690 12.950 -0.715 1.00 0.15 N ATOM 1162 CA GLY A 501 6.694 13.761 -1.920 1.00 0.15 C ATOM 1163 C GLY A 501 6.311 12.974 -3.141 1.00 0.15 C ATOM 1164 O GLY A 501 6.947 13.072 -4.196 1.00 0.15 O ATOM 0 H GLY A 501 7.379 12.200 -0.767 1.00 0.15 H new ATOM 0 HA2 GLY A 501 6.002 14.594 -1.796 1.00 0.15 H new ATOM 0 HA3 GLY A 501 7.686 14.189 -2.063 1.00 0.15 H new ATOM 1168 N ALA A 502 5.214 12.184 -3.020 1.00 0.13 N ATOM 1169 CA ALA A 502 4.560 11.454 -4.087 1.00 0.13 C ATOM 1170 C ALA A 502 3.520 12.327 -4.790 1.00 0.13 C ATOM 1171 O ALA A 502 3.024 11.992 -5.855 1.00 0.13 O ATOM 1172 CB ALA A 502 3.843 10.215 -3.505 1.00 0.13 C ATOM 0 H ALA A 502 4.753 12.045 -2.120 1.00 0.13 H new ATOM 0 HA ALA A 502 5.322 11.154 -4.806 1.00 0.13 H new ATOM 0 HB1 ALA A 502 3.352 9.668 -4.309 1.00 0.13 H new ATOM 0 HB2 ALA A 502 4.573 9.568 -3.018 1.00 0.13 H new ATOM 0 HB3 ALA A 502 3.098 10.535 -2.776 1.00 0.13 H new ATOM 1178 N GLY A 503 3.120 13.478 -4.180 1.00 0.12 N ATOM 1179 CA GLY A 503 2.094 14.378 -4.708 1.00 0.12 C ATOM 1180 C GLY A 503 0.951 14.553 -3.748 1.00 0.12 C ATOM 1181 O GLY A 503 0.060 15.371 -3.973 1.00 0.12 O ATOM 0 H GLY A 503 3.516 13.797 -3.296 1.00 0.12 H new ATOM 0 HA2 GLY A 503 2.539 15.349 -4.922 1.00 0.12 H new ATOM 0 HA3 GLY A 503 1.718 13.984 -5.652 1.00 0.12 H new ATOM 1185 N ALA A 504 0.954 13.781 -2.633 1.00 0.14 N ATOM 1186 CA ALA A 504 -0.037 13.814 -1.576 1.00 0.14 C ATOM 1187 C ALA A 504 0.509 14.521 -0.340 1.00 0.14 C ATOM 1188 O ALA A 504 1.715 14.667 -0.154 1.00 0.14 O ATOM 1189 CB ALA A 504 -0.496 12.383 -1.240 1.00 0.14 C ATOM 0 H ALA A 504 1.688 13.095 -2.457 1.00 0.14 H new ATOM 0 HA ALA A 504 -0.901 14.381 -1.924 1.00 0.14 H new ATOM 0 HB1 ALA A 504 -1.241 12.417 -0.445 1.00 0.14 H new ATOM 0 HB2 ALA A 504 -0.933 11.923 -2.127 1.00 0.14 H new ATOM 0 HB3 ALA A 504 0.360 11.794 -0.910 1.00 0.14 H new ATOM 1195 N THR A 505 -0.403 14.973 0.551 1.00 0.22 N ATOM 1196 CA THR A 505 -0.119 15.707 1.783 1.00 0.22 C ATOM 1197 C THR A 505 0.098 14.743 2.939 1.00 0.22 C ATOM 1198 O THR A 505 -0.263 13.573 2.861 1.00 0.22 O ATOM 1199 CB THR A 505 -1.196 16.757 2.074 1.00 0.22 C ATOM 1200 OG1 THR A 505 -0.955 17.602 3.202 1.00 0.22 O ATOM 1201 CG2 THR A 505 -2.533 16.072 2.294 1.00 0.22 C ATOM 0 H THR A 505 -1.403 14.823 0.414 1.00 0.22 H new ATOM 0 HA THR A 505 0.810 16.262 1.651 1.00 0.22 H new ATOM 0 HB THR A 505 -1.185 17.402 1.195 1.00 0.22 H new ATOM 0 HG1 THR A 505 -1.696 18.235 3.301 1.00 0.22 H new ATOM 0 HG21 THR A 505 -3.296 16.822 2.501 1.00 0.22 H new ATOM 0 HG22 THR A 505 -2.807 15.513 1.399 1.00 0.22 H new ATOM 0 HG23 THR A 505 -2.457 15.389 3.140 1.00 0.22 H new ATOM 1209 N HIS A 506 0.655 15.217 4.084 1.00 0.30 N ATOM 1210 CA HIS A 506 0.771 14.437 5.310 1.00 0.30 C ATOM 1211 C HIS A 506 -0.511 14.663 6.106 1.00 0.30 C ATOM 1212 O HIS A 506 -0.770 15.747 6.625 1.00 0.30 O ATOM 1213 CB HIS A 506 2.133 14.651 6.055 1.00 0.30 C ATOM 1214 CG HIS A 506 2.219 15.026 7.523 1.00 0.30 C ATOM 1215 ND1 HIS A 506 1.555 15.925 8.301 1.00 0.30 N flip ATOM 1216 CD2 HIS A 506 3.121 14.404 8.369 1.00 0.30 C flip ATOM 1217 CE1 HIS A 506 2.004 15.854 9.607 1.00 0.30 C flip ATOM 1218 NE2 HIS A 506 2.941 14.931 9.601 1.00 0.30 N flip ATOM 0 H HIS A 506 1.034 16.160 4.166 1.00 0.30 H new ATOM 0 HA HIS A 506 0.837 13.368 5.107 1.00 0.30 H new ATOM 0 HB2 HIS A 506 2.699 13.727 5.937 1.00 0.30 H new ATOM 0 HB3 HIS A 506 2.669 15.425 5.505 1.00 0.30 H new ATOM 0 HD1 HIS A 506 0.830 16.560 7.968 1.00 0.30 H new ATOM 0 HD2 HIS A 506 3.835 13.641 8.096 1.00 0.30 H new ATOM 0 HE1 HIS A 506 1.659 16.433 10.451 1.00 0.30 H new ATOM 1226 N SER A 507 -1.383 13.620 6.131 1.00 0.26 N ATOM 1227 CA SER A 507 -2.703 13.698 6.765 1.00 0.26 C ATOM 1228 C SER A 507 -3.184 12.471 7.508 1.00 0.26 C ATOM 1229 O SER A 507 -4.177 11.883 7.065 1.00 0.26 O ATOM 1230 CB SER A 507 -3.801 14.093 5.757 1.00 0.26 C ATOM 1231 OG SER A 507 -4.954 14.701 6.346 1.00 0.26 O ATOM 0 H SER A 507 -1.181 12.712 5.712 1.00 0.26 H new ATOM 0 HA SER A 507 -2.539 14.468 7.519 1.00 0.26 H new ATOM 0 HB2 SER A 507 -3.376 14.781 5.027 1.00 0.26 H new ATOM 0 HB3 SER A 507 -4.114 13.203 5.212 1.00 0.26 H new ATOM 0 HG SER A 507 -5.678 14.043 6.403 1.00 0.26 H new ATOM 1237 N PRO A 508 -2.599 11.963 8.603 1.00 0.20 N ATOM 1238 CA PRO A 508 -3.091 10.782 9.325 1.00 0.20 C ATOM 1239 C PRO A 508 -4.424 11.031 10.078 1.00 0.20 C ATOM 1240 O PRO A 508 -4.617 12.144 10.564 1.00 0.20 O ATOM 1241 CB PRO A 508 -1.928 10.425 10.254 1.00 0.20 C ATOM 1242 CG PRO A 508 -0.733 10.995 9.499 1.00 0.20 C ATOM 1243 CD PRO A 508 -1.294 12.363 9.101 1.00 0.20 C ATOM 0 HA PRO A 508 -3.354 9.965 8.653 1.00 0.20 H new ATOM 0 HB2 PRO A 508 -2.040 10.876 11.240 1.00 0.20 H new ATOM 0 HB3 PRO A 508 -1.841 9.349 10.403 1.00 0.20 H new ATOM 0 HG2 PRO A 508 0.155 11.076 10.126 1.00 0.20 H new ATOM 0 HG3 PRO A 508 -0.459 10.390 8.635 1.00 0.20 H new ATOM 0 HD2 PRO A 508 -1.362 13.048 9.946 1.00 0.20 H new ATOM 0 HD3 PRO A 508 -0.690 12.856 8.339 1.00 0.20 H new ATOM 1251 N PRO A 509 -5.343 10.059 10.193 1.00 0.37 N ATOM 1252 CA PRO A 509 -5.229 8.679 9.736 1.00 0.37 C ATOM 1253 C PRO A 509 -5.807 8.505 8.322 1.00 0.37 C ATOM 1254 O PRO A 509 -6.415 7.477 8.058 1.00 0.37 O ATOM 1255 CB PRO A 509 -6.087 7.969 10.801 1.00 0.37 C ATOM 1256 CG PRO A 509 -7.241 8.941 11.100 1.00 0.37 C ATOM 1257 CD PRO A 509 -6.640 10.322 10.814 1.00 0.37 C ATOM 0 HA PRO A 509 -4.209 8.303 9.650 1.00 0.37 H new ATOM 0 HB2 PRO A 509 -6.462 7.014 10.433 1.00 0.37 H new ATOM 0 HB3 PRO A 509 -5.506 7.759 11.699 1.00 0.37 H new ATOM 0 HG2 PRO A 509 -8.106 8.742 10.467 1.00 0.37 H new ATOM 0 HG3 PRO A 509 -7.577 8.857 12.134 1.00 0.37 H new ATOM 0 HD2 PRO A 509 -7.283 10.901 10.151 1.00 0.37 H new ATOM 0 HD3 PRO A 509 -6.527 10.899 11.732 1.00 0.37 H new ATOM 1265 N THR A 510 -5.654 9.483 7.392 1.00 0.65 N ATOM 1266 CA THR A 510 -6.278 9.453 6.061 1.00 0.65 C ATOM 1267 C THR A 510 -5.293 9.374 4.907 1.00 0.65 C ATOM 1268 O THR A 510 -5.571 8.724 3.903 1.00 0.65 O ATOM 1269 CB THR A 510 -7.259 10.619 5.864 1.00 0.65 C ATOM 1270 OG1 THR A 510 -6.710 11.906 6.191 1.00 0.65 O ATOM 1271 CG2 THR A 510 -8.462 10.383 6.796 1.00 0.65 C ATOM 0 H THR A 510 -5.089 10.316 7.555 1.00 0.65 H new ATOM 0 HA THR A 510 -6.837 8.517 6.039 1.00 0.65 H new ATOM 0 HB THR A 510 -7.522 10.637 4.806 1.00 0.65 H new ATOM 0 HG1 THR A 510 -5.736 11.836 6.268 1.00 0.65 H new ATOM 0 HG21 THR A 510 -9.178 11.196 6.679 1.00 0.65 H new ATOM 0 HG22 THR A 510 -8.941 9.438 6.540 1.00 0.65 H new ATOM 0 HG23 THR A 510 -8.120 10.347 7.830 1.00 0.65 H new ATOM 1279 N ASP A 511 -4.125 10.047 5.037 1.00 0.62 N ATOM 1280 CA ASP A 511 -3.065 10.101 4.054 1.00 0.62 C ATOM 1281 C ASP A 511 -1.858 9.859 4.919 1.00 0.62 C ATOM 1282 O ASP A 511 -1.390 10.759 5.618 1.00 0.62 O ATOM 1283 CB ASP A 511 -2.960 11.515 3.372 1.00 0.62 C ATOM 1284 CG ASP A 511 -2.658 11.356 1.883 1.00 0.62 C ATOM 1285 OD1 ASP A 511 -1.583 10.782 1.557 1.00 0.62 O ATOM 1286 OD2 ASP A 511 -3.495 11.802 1.053 1.00 0.62 O ATOM 0 H ASP A 511 -3.906 10.585 5.875 1.00 0.62 H new ATOM 0 HA ASP A 511 -3.202 9.399 3.231 1.00 0.62 H new ATOM 0 HB2 ASP A 511 -3.893 12.063 3.506 1.00 0.62 H new ATOM 0 HB3 ASP A 511 -2.175 12.101 3.850 1.00 0.62 H new ATOM 1291 N LEU A 512 -1.302 8.634 4.887 1.00 0.38 N ATOM 1292 CA LEU A 512 -0.200 8.269 5.747 1.00 0.38 C ATOM 1293 C LEU A 512 1.070 8.232 4.962 1.00 0.38 C ATOM 1294 O LEU A 512 1.331 7.277 4.229 1.00 0.38 O ATOM 1295 CB LEU A 512 -0.490 6.957 6.429 1.00 0.38 C ATOM 1296 CG LEU A 512 -1.666 7.172 7.384 1.00 0.38 C ATOM 1297 CD1 LEU A 512 -2.769 6.228 6.936 1.00 0.38 C ATOM 1298 CD2 LEU A 512 -1.219 7.131 8.845 1.00 0.38 C ATOM 0 H LEU A 512 -1.612 7.887 4.265 1.00 0.38 H new ATOM 0 HA LEU A 512 -0.078 9.020 6.528 1.00 0.38 H new ATOM 0 HB2 LEU A 512 -0.732 6.190 5.693 1.00 0.38 H new ATOM 0 HB3 LEU A 512 0.387 6.609 6.976 1.00 0.38 H new ATOM 0 HG LEU A 512 -2.092 8.174 7.337 1.00 0.38 H new ATOM 0 HD11 LEU A 512 -3.634 6.344 7.589 1.00 0.38 H new ATOM 0 HD12 LEU A 512 -3.054 6.462 5.910 1.00 0.38 H new ATOM 0 HD13 LEU A 512 -2.411 5.200 6.987 1.00 0.38 H new ATOM 0 HD21 LEU A 512 -2.081 7.287 9.494 1.00 0.38 H new ATOM 0 HD22 LEU A 512 -0.773 6.160 9.062 1.00 0.38 H new ATOM 0 HD23 LEU A 512 -0.484 7.916 9.023 1.00 0.38 H new ATOM 1310 N VAL A 513 1.871 9.318 5.083 1.00 0.38 N ATOM 1311 CA VAL A 513 3.087 9.518 4.332 1.00 0.38 C ATOM 1312 C VAL A 513 4.321 9.124 5.135 1.00 0.38 C ATOM 1313 O VAL A 513 4.502 9.441 6.313 1.00 0.38 O ATOM 1314 CB VAL A 513 3.159 10.872 3.650 1.00 0.38 C ATOM 1315 CG1 VAL A 513 1.829 11.190 2.937 1.00 0.38 C ATOM 1316 CG2 VAL A 513 3.563 11.918 4.665 1.00 0.38 C ATOM 0 H VAL A 513 1.666 10.083 5.725 1.00 0.38 H new ATOM 0 HA VAL A 513 3.067 8.823 3.493 1.00 0.38 H new ATOM 0 HB VAL A 513 3.921 10.865 2.870 1.00 0.38 H new ATOM 0 HG11 VAL A 513 1.899 12.164 2.454 1.00 0.38 H new ATOM 0 HG12 VAL A 513 1.627 10.426 2.186 1.00 0.38 H new ATOM 0 HG13 VAL A 513 1.019 11.204 3.667 1.00 0.38 H new ATOM 0 HG21 VAL A 513 3.616 12.893 4.181 1.00 0.38 H new ATOM 0 HG22 VAL A 513 2.825 11.951 5.467 1.00 0.38 H new ATOM 0 HG23 VAL A 513 4.539 11.665 5.080 1.00 0.38 H new ATOM 1326 N TRP A 514 5.213 8.395 4.454 1.00 0.57 N ATOM 1327 CA TRP A 514 6.470 7.876 4.960 1.00 0.57 C ATOM 1328 C TRP A 514 7.645 8.722 4.476 1.00 0.57 C ATOM 1329 O TRP A 514 7.566 9.465 3.500 1.00 0.57 O ATOM 1330 CB TRP A 514 6.535 6.358 4.672 1.00 0.57 C ATOM 1331 CG TRP A 514 7.860 5.653 4.835 1.00 0.57 C ATOM 1332 CD1 TRP A 514 8.754 5.492 3.837 1.00 0.57 C ATOM 1333 CD2 TRP A 514 8.437 5.029 5.992 1.00 0.57 C ATOM 1334 NE1 TRP A 514 9.765 4.673 4.242 1.00 0.57 N ATOM 1335 CE2 TRP A 514 9.622 4.400 5.566 1.00 0.57 C ATOM 1336 CE3 TRP A 514 8.022 4.939 7.303 1.00 0.57 C ATOM 1337 CZ2 TRP A 514 10.399 3.642 6.438 1.00 0.57 C ATOM 1338 CZ3 TRP A 514 8.752 4.078 8.129 1.00 0.57 C ATOM 1339 CH2 TRP A 514 9.907 3.423 7.714 1.00 0.57 C ATOM 0 H TRP A 514 5.059 8.142 3.478 1.00 0.57 H new ATOM 0 HA TRP A 514 6.539 7.965 6.044 1.00 0.57 H new ATOM 0 HB2 TRP A 514 5.814 5.865 5.324 1.00 0.57 H new ATOM 0 HB3 TRP A 514 6.198 6.200 3.647 1.00 0.57 H new ATOM 0 HD1 TRP A 514 8.679 5.946 2.860 1.00 0.57 H new ATOM 0 HE1 TRP A 514 10.513 4.320 3.645 1.00 0.57 H new ATOM 0 HE3 TRP A 514 7.178 5.503 7.673 1.00 0.57 H new ATOM 0 HZ2 TRP A 514 11.352 3.239 6.130 1.00 0.57 H new ATOM 0 HZ3 TRP A 514 8.402 3.914 9.137 1.00 0.57 H new ATOM 0 HH2 TRP A 514 10.418 2.747 8.384 1.00 0.57 H new ATOM 1350 N LYS A 515 8.721 8.620 5.292 1.00 0.60 N ATOM 1351 CA LYS A 515 9.968 9.368 5.264 1.00 0.60 C ATOM 1352 C LYS A 515 11.111 8.780 4.455 1.00 0.60 C ATOM 1353 O LYS A 515 11.774 9.487 3.703 1.00 0.60 O ATOM 1354 CB LYS A 515 10.428 9.671 6.717 1.00 0.60 C ATOM 1355 CG LYS A 515 9.359 10.452 7.503 1.00 0.60 C ATOM 1356 CD LYS A 515 9.807 10.809 8.929 1.00 0.60 C ATOM 1357 CE LYS A 515 8.718 11.505 9.759 1.00 0.60 C ATOM 1358 NZ LYS A 515 8.331 12.806 9.163 1.00 0.60 N ATOM 0 H LYS A 515 8.722 7.942 6.054 1.00 0.60 H new ATOM 0 HA LYS A 515 9.721 10.280 4.720 1.00 0.60 H new ATOM 0 HB2 LYS A 515 10.647 8.735 7.232 1.00 0.60 H new ATOM 0 HB3 LYS A 515 11.354 10.246 6.693 1.00 0.60 H new ATOM 0 HG2 LYS A 515 9.116 11.368 6.964 1.00 0.60 H new ATOM 0 HG3 LYS A 515 8.446 9.859 7.552 1.00 0.60 H new ATOM 0 HD2 LYS A 515 10.117 9.899 9.442 1.00 0.60 H new ATOM 0 HD3 LYS A 515 10.681 11.458 8.875 1.00 0.60 H new ATOM 0 HE2 LYS A 515 7.842 10.860 9.827 1.00 0.60 H new ATOM 0 HE3 LYS A 515 9.078 11.662 10.776 1.00 0.60 H new ATOM 0 HZ1 LYS A 515 7.644 13.281 9.783 1.00 0.60 H new ATOM 0 HZ2 LYS A 515 9.175 13.405 9.058 1.00 0.60 H new ATOM 0 HZ3 LYS A 515 7.902 12.646 8.229 1.00 0.60 H new ATOM 1372 N ALA A 516 11.391 7.456 4.627 1.00 0.54 N ATOM 1373 CA ALA A 516 12.550 6.746 4.053 1.00 0.54 C ATOM 1374 C ALA A 516 12.413 6.272 2.600 1.00 0.54 C ATOM 1375 O ALA A 516 13.287 5.620 2.031 1.00 0.54 O ATOM 1376 CB ALA A 516 13.000 5.595 4.971 1.00 0.54 C ATOM 0 H ALA A 516 10.794 6.846 5.185 1.00 0.54 H new ATOM 0 HA ALA A 516 13.325 7.511 4.002 1.00 0.54 H new ATOM 0 HB1 ALA A 516 13.856 5.088 4.525 1.00 0.54 H new ATOM 0 HB2 ALA A 516 13.282 5.995 5.945 1.00 0.54 H new ATOM 0 HB3 ALA A 516 12.181 4.886 5.094 1.00 0.54 H new ATOM 1382 N GLN A 517 11.288 6.662 1.963 1.00 0.69 N ATOM 1383 CA GLN A 517 11.042 6.571 0.553 1.00 0.69 C ATOM 1384 C GLN A 517 10.234 7.816 0.451 1.00 0.69 C ATOM 1385 O GLN A 517 9.026 7.835 0.667 1.00 0.69 O ATOM 1386 CB GLN A 517 10.381 5.288 -0.019 1.00 0.69 C ATOM 1387 CG GLN A 517 11.386 4.624 -0.991 1.00 0.69 C ATOM 1388 CD GLN A 517 10.754 3.958 -2.212 1.00 0.69 C ATOM 1389 OE1 GLN A 517 10.098 4.603 -3.033 1.00 0.69 O ATOM 1390 NE2 GLN A 517 11.032 2.651 -2.380 1.00 0.69 N ATOM 0 H GLN A 517 10.500 7.067 2.468 1.00 0.69 H new ATOM 0 HA GLN A 517 11.939 6.488 -0.061 1.00 0.69 H new ATOM 0 HB2 GLN A 517 10.121 4.602 0.787 1.00 0.69 H new ATOM 0 HB3 GLN A 517 9.455 5.536 -0.539 1.00 0.69 H new ATOM 0 HG2 GLN A 517 12.093 5.380 -1.333 1.00 0.69 H new ATOM 0 HG3 GLN A 517 11.959 3.876 -0.443 1.00 0.69 H new ATOM 0 HE21 GLN A 517 11.578 2.151 -1.678 1.00 0.69 H new ATOM 0 HE22 GLN A 517 10.697 2.161 -3.209 1.00 0.69 H new ATOM 1520 N ARG A 527 6.933 -4.217 -6.457 1.00 0.46 N ATOM 1521 CA ARG A 527 5.997 -5.085 -5.767 1.00 0.46 C ATOM 1522 C ARG A 527 5.732 -4.451 -4.424 1.00 0.46 C ATOM 1523 O ARG A 527 6.669 -4.112 -3.694 1.00 0.46 O ATOM 1524 CB ARG A 527 6.587 -6.510 -5.565 1.00 0.46 C ATOM 1525 CG ARG A 527 6.895 -7.253 -6.877 1.00 0.46 C ATOM 1526 CD ARG A 527 7.486 -8.658 -6.681 1.00 0.46 C ATOM 1527 NE ARG A 527 6.437 -9.539 -6.060 1.00 0.46 N ATOM 1528 CZ ARG A 527 6.620 -10.879 -5.838 1.00 0.46 C ATOM 1529 NH1 ARG A 527 7.794 -11.489 -6.171 1.00 0.46 N ATOM 1530 NH2 ARG A 527 5.613 -11.611 -5.277 1.00 0.46 N ATOM 0 HA ARG A 527 5.084 -5.195 -6.353 1.00 0.46 H new ATOM 0 HB2 ARG A 527 7.503 -6.433 -4.980 1.00 0.46 H new ATOM 0 HB3 ARG A 527 5.884 -7.103 -4.980 1.00 0.46 H new ATOM 0 HG2 ARG A 527 5.977 -7.335 -7.459 1.00 0.46 H new ATOM 0 HG3 ARG A 527 7.593 -6.656 -7.464 1.00 0.46 H new ATOM 0 HD2 ARG A 527 7.807 -9.070 -7.638 1.00 0.46 H new ATOM 0 HD3 ARG A 527 8.368 -8.612 -6.042 1.00 0.46 H new ATOM 0 HE ARG A 527 5.547 -9.119 -5.791 1.00 0.46 H new ATOM 0 HH11 ARG A 527 8.549 -10.947 -6.591 1.00 0.46 H new ATOM 0 HH12 ARG A 527 7.917 -12.487 -6.000 1.00 0.46 H new ATOM 0 HH21 ARG A 527 4.733 -11.160 -5.027 1.00 0.46 H new ATOM 0 HH22 ARG A 527 5.741 -12.609 -5.108 1.00 0.46 H new ATOM 1544 N THR A 528 4.427 -4.256 -4.106 1.00 0.24 N ATOM 1545 CA THR A 528 3.930 -3.578 -2.921 1.00 0.24 C ATOM 1546 C THR A 528 2.858 -4.437 -2.301 1.00 0.24 C ATOM 1547 O THR A 528 2.019 -4.993 -3.001 1.00 0.24 O ATOM 1548 CB THR A 528 3.304 -2.250 -3.327 1.00 0.24 C ATOM 1549 OG1 THR A 528 4.247 -1.446 -4.013 1.00 0.24 O ATOM 1550 CG2 THR A 528 2.855 -1.431 -2.116 1.00 0.24 C ATOM 0 H THR A 528 3.673 -4.589 -4.707 1.00 0.24 H new ATOM 0 HA THR A 528 4.746 -3.406 -2.219 1.00 0.24 H new ATOM 0 HB THR A 528 2.449 -2.503 -3.954 1.00 0.24 H new ATOM 0 HG1 THR A 528 3.958 -0.510 -3.988 1.00 0.24 H new ATOM 0 HG21 THR A 528 2.415 -0.493 -2.454 1.00 0.24 H new ATOM 0 HG22 THR A 528 2.115 -1.996 -1.549 1.00 0.24 H new ATOM 0 HG23 THR A 528 3.715 -1.220 -1.480 1.00 0.24 H new ATOM 1558 N ALA A 529 2.813 -4.573 -0.959 1.00 0.22 N ATOM 1559 CA ALA A 529 1.796 -5.392 -0.344 1.00 0.22 C ATOM 1560 C ALA A 529 1.568 -4.911 1.084 1.00 0.22 C ATOM 1561 O ALA A 529 2.509 -4.451 1.732 1.00 0.22 O ATOM 1562 CB ALA A 529 2.274 -6.864 -0.386 1.00 0.22 C ATOM 0 H ALA A 529 3.462 -4.129 -0.309 1.00 0.22 H new ATOM 0 HA ALA A 529 0.847 -5.318 -0.875 1.00 0.22 H new ATOM 0 HB1 ALA A 529 1.521 -7.504 0.074 1.00 0.22 H new ATOM 0 HB2 ALA A 529 2.425 -7.168 -1.422 1.00 0.22 H new ATOM 0 HB3 ALA A 529 3.213 -6.958 0.160 1.00 0.22 H new ATOM 1568 N LEU A 530 0.324 -5.024 1.644 1.00 0.44 N ATOM 1569 CA LEU A 530 -0.025 -4.758 3.036 1.00 0.44 C ATOM 1570 C LEU A 530 -0.171 -6.075 3.843 1.00 0.44 C ATOM 1571 O LEU A 530 -0.806 -7.052 3.411 1.00 0.44 O ATOM 1572 CB LEU A 530 -1.336 -3.887 3.086 1.00 0.44 C ATOM 1573 CG LEU A 530 -1.784 -3.289 4.452 1.00 0.44 C ATOM 1574 CD1 LEU A 530 -2.839 -4.215 5.073 1.00 0.44 C ATOM 1575 CD2 LEU A 530 -0.616 -3.011 5.405 1.00 0.44 C ATOM 0 H LEU A 530 -0.483 -5.318 1.094 1.00 0.44 H new ATOM 0 HA LEU A 530 0.782 -4.197 3.508 1.00 0.44 H new ATOM 0 HB2 LEU A 530 -1.210 -3.059 2.388 1.00 0.44 H new ATOM 0 HB3 LEU A 530 -2.155 -4.500 2.709 1.00 0.44 H new ATOM 0 HG LEU A 530 -2.225 -2.309 4.271 1.00 0.44 H new ATOM 0 HD11 LEU A 530 -3.162 -3.808 6.031 1.00 0.44 H new ATOM 0 HD12 LEU A 530 -3.696 -4.291 4.404 1.00 0.44 H new ATOM 0 HD13 LEU A 530 -2.409 -5.205 5.226 1.00 0.44 H new ATOM 0 HD21 LEU A 530 -0.998 -2.596 6.337 1.00 0.44 H new ATOM 0 HD22 LEU A 530 -0.086 -3.941 5.612 1.00 0.44 H new ATOM 0 HD23 LEU A 530 0.068 -2.299 4.944 1.00 0.44 H new ATOM 1587 N ILE A 531 0.373 -6.080 5.110 1.00 0.48 N ATOM 1588 CA ILE A 531 0.247 -7.089 6.147 1.00 0.48 C ATOM 1589 C ILE A 531 -0.857 -6.545 7.017 1.00 0.48 C ATOM 1590 O ILE A 531 -0.694 -5.448 7.572 1.00 0.48 O ATOM 1591 CB ILE A 531 1.485 -7.256 7.052 1.00 0.48 C ATOM 1592 CG1 ILE A 531 2.781 -7.497 6.271 1.00 0.48 C ATOM 1593 CG2 ILE A 531 1.301 -8.393 8.061 1.00 0.48 C ATOM 1594 CD1 ILE A 531 2.703 -8.525 5.138 1.00 0.48 C ATOM 0 H ILE A 531 0.952 -5.301 5.425 1.00 0.48 H new ATOM 0 HA ILE A 531 0.086 -8.063 5.685 1.00 0.48 H new ATOM 0 HB ILE A 531 1.577 -6.305 7.577 1.00 0.48 H new ATOM 0 HG12 ILE A 531 3.110 -6.547 5.850 1.00 0.48 H new ATOM 0 HG13 ILE A 531 3.550 -7.818 6.973 1.00 0.48 H new ATOM 0 HG21 ILE A 531 2.194 -8.479 8.680 1.00 0.48 H new ATOM 0 HG22 ILE A 531 0.440 -8.181 8.695 1.00 0.48 H new ATOM 0 HG23 ILE A 531 1.138 -9.330 7.528 1.00 0.48 H new ATOM 0 HD11 ILE A 531 3.678 -8.612 4.658 1.00 0.48 H new ATOM 0 HD12 ILE A 531 2.411 -9.493 5.545 1.00 0.48 H new ATOM 0 HD13 ILE A 531 1.964 -8.202 4.404 1.00 0.48 H new ATOM 1606 N ASN A 532 -1.958 -7.345 7.149 1.00 0.42 N ATOM 1607 CA ASN A 532 -3.168 -7.143 7.932 1.00 0.42 C ATOM 1608 C ASN A 532 -2.909 -6.966 9.419 1.00 0.42 C ATOM 1609 O ASN A 532 -1.824 -7.193 9.959 1.00 0.42 O ATOM 1610 CB ASN A 532 -4.265 -8.254 7.640 1.00 0.42 C ATOM 1611 CG ASN A 532 -4.872 -9.140 8.762 1.00 0.42 C ATOM 1612 OD1 ASN A 532 -5.812 -8.724 9.450 1.00 0.42 O ATOM 1613 ND2 ASN A 532 -4.290 -10.338 8.986 1.00 0.42 N ATOM 0 H ASN A 532 -2.001 -8.233 6.649 1.00 0.42 H new ATOM 0 HA ASN A 532 -3.578 -6.192 7.594 1.00 0.42 H new ATOM 0 HB2 ASN A 532 -5.100 -7.748 7.155 1.00 0.42 H new ATOM 0 HB3 ASN A 532 -3.833 -8.933 6.905 1.00 0.42 H new ATOM 0 HD21 ASN A 532 -4.624 -10.933 9.744 1.00 0.42 H new ATOM 0 HD22 ASN A 532 -3.517 -10.647 8.397 1.00 0.42 H new ATOM 1620 N SER A 533 -4.009 -6.658 10.114 1.00 0.53 N ATOM 1621 CA SER A 533 -4.166 -6.494 11.540 1.00 0.53 C ATOM 1622 C SER A 533 -3.762 -7.650 12.498 1.00 0.53 C ATOM 1623 O SER A 533 -3.823 -7.489 13.714 1.00 0.53 O ATOM 1624 CB SER A 533 -5.669 -6.178 11.799 1.00 0.53 C ATOM 1625 OG SER A 533 -6.637 -7.127 11.328 1.00 0.53 O ATOM 0 H SER A 533 -4.894 -6.505 9.631 1.00 0.53 H new ATOM 0 HA SER A 533 -3.451 -5.709 11.786 1.00 0.53 H new ATOM 0 HB2 SER A 533 -5.808 -6.062 12.874 1.00 0.53 H new ATOM 0 HB3 SER A 533 -5.893 -5.214 11.342 1.00 0.53 H new ATOM 0 HG SER A 533 -6.406 -7.405 10.417 1.00 0.53 H new ATOM 1631 N THR A 534 -3.384 -8.841 11.968 1.00 0.57 N ATOM 1632 CA THR A 534 -3.004 -10.037 12.742 1.00 0.57 C ATOM 1633 C THR A 534 -1.765 -10.680 12.138 1.00 0.57 C ATOM 1634 O THR A 534 -1.418 -11.820 12.448 1.00 0.57 O ATOM 1635 CB THR A 534 -4.126 -11.078 12.908 1.00 0.57 C ATOM 1636 OG1 THR A 534 -4.863 -11.274 11.707 1.00 0.57 O ATOM 1637 CG2 THR A 534 -5.130 -10.593 13.967 1.00 0.57 C ATOM 0 H THR A 534 -3.336 -8.994 10.961 1.00 0.57 H new ATOM 0 HA THR A 534 -2.791 -9.681 13.750 1.00 0.57 H new ATOM 0 HB THR A 534 -3.643 -12.012 13.196 1.00 0.57 H new ATOM 0 HG1 THR A 534 -4.592 -12.119 11.291 1.00 0.57 H new ATOM 0 HG21 THR A 534 -5.923 -11.332 14.082 1.00 0.57 H new ATOM 0 HG22 THR A 534 -4.618 -10.459 14.920 1.00 0.57 H new ATOM 0 HG23 THR A 534 -5.562 -9.644 13.651 1.00 0.57 H new ATOM 1645 N GLY A 535 -1.068 -9.928 11.249 1.00 0.49 N ATOM 1646 CA GLY A 535 0.164 -10.302 10.559 1.00 0.49 C ATOM 1647 C GLY A 535 0.122 -11.339 9.455 1.00 0.49 C ATOM 1648 O GLY A 535 1.025 -12.154 9.320 1.00 0.49 O ATOM 0 H GLY A 535 -1.380 -8.992 10.989 1.00 0.49 H new ATOM 0 HA2 GLY A 535 0.589 -9.392 10.135 1.00 0.49 H new ATOM 0 HA3 GLY A 535 0.865 -10.659 11.314 1.00 0.49 H new ATOM 1652 N GLU A 536 -0.925 -11.307 8.602 1.00 0.56 N ATOM 1653 CA GLU A 536 -1.126 -12.119 7.429 1.00 0.56 C ATOM 1654 C GLU A 536 -1.145 -11.109 6.328 1.00 0.56 C ATOM 1655 O GLU A 536 -1.792 -10.083 6.501 1.00 0.56 O ATOM 1656 CB GLU A 536 -2.497 -12.851 7.373 1.00 0.56 C ATOM 1657 CG GLU A 536 -2.749 -13.573 8.698 1.00 0.56 C ATOM 1658 CD GLU A 536 -4.104 -14.271 8.688 1.00 0.56 C ATOM 1659 OE1 GLU A 536 -4.288 -15.196 7.854 1.00 0.56 O ATOM 1660 OE2 GLU A 536 -4.973 -13.889 9.516 1.00 0.56 O ATOM 0 H GLU A 536 -1.698 -10.657 8.745 1.00 0.56 H new ATOM 0 HA GLU A 536 -0.363 -12.896 7.387 1.00 0.56 H new ATOM 0 HB2 GLU A 536 -3.295 -12.134 7.180 1.00 0.56 H new ATOM 0 HB3 GLU A 536 -2.505 -13.566 6.550 1.00 0.56 H new ATOM 0 HG2 GLU A 536 -1.960 -14.304 8.874 1.00 0.56 H new ATOM 0 HG3 GLU A 536 -2.710 -12.858 9.520 1.00 0.56 H new ATOM 1667 N GLU A 537 -0.513 -11.389 5.179 1.00 0.57 N ATOM 1668 CA GLU A 537 -0.564 -10.581 3.949 1.00 0.57 C ATOM 1669 C GLU A 537 -1.949 -10.631 3.295 1.00 0.57 C ATOM 1670 O GLU A 537 -2.546 -11.686 3.102 1.00 0.57 O ATOM 1671 CB GLU A 537 0.520 -10.967 2.923 1.00 0.57 C ATOM 1672 CG GLU A 537 0.784 -9.866 1.875 1.00 0.57 C ATOM 1673 CD GLU A 537 1.802 -10.349 0.846 1.00 0.57 C ATOM 1674 OE1 GLU A 537 2.964 -10.630 1.246 1.00 0.57 O ATOM 1675 OE2 GLU A 537 1.435 -10.438 -0.357 1.00 0.57 O ATOM 0 H GLU A 537 0.072 -12.218 5.076 1.00 0.57 H new ATOM 0 HA GLU A 537 -0.360 -9.558 4.265 1.00 0.57 H new ATOM 0 HB2 GLU A 537 1.448 -11.188 3.450 1.00 0.57 H new ATOM 0 HB3 GLU A 537 0.218 -11.881 2.412 1.00 0.57 H new ATOM 0 HG2 GLU A 537 -0.148 -9.597 1.377 1.00 0.57 H new ATOM 0 HG3 GLU A 537 1.153 -8.966 2.367 1.00 0.57 H new ATOM 1682 N VAL A 538 -2.524 -9.445 3.025 1.00 0.44 N ATOM 1683 CA VAL A 538 -3.907 -9.317 2.553 1.00 0.44 C ATOM 1684 C VAL A 538 -4.043 -8.636 1.218 1.00 0.44 C ATOM 1685 O VAL A 538 -4.280 -9.283 0.203 1.00 0.44 O ATOM 1686 CB VAL A 538 -4.891 -8.817 3.629 1.00 0.44 C ATOM 1687 CG1 VAL A 538 -5.006 -9.849 4.780 1.00 0.44 C ATOM 1688 CG2 VAL A 538 -4.549 -7.407 4.147 1.00 0.44 C ATOM 0 H VAL A 538 -2.041 -8.553 3.129 1.00 0.44 H new ATOM 0 HA VAL A 538 -4.225 -10.341 2.356 1.00 0.44 H new ATOM 0 HB VAL A 538 -5.868 -8.724 3.156 1.00 0.44 H new ATOM 0 HG11 VAL A 538 -5.705 -9.480 5.531 1.00 0.44 H new ATOM 0 HG12 VAL A 538 -5.367 -10.798 4.383 1.00 0.44 H new ATOM 0 HG13 VAL A 538 -4.027 -9.996 5.236 1.00 0.44 H new ATOM 0 HG21 VAL A 538 -5.277 -7.110 4.902 1.00 0.44 H new ATOM 0 HG22 VAL A 538 -3.552 -7.413 4.587 1.00 0.44 H new ATOM 0 HG23 VAL A 538 -4.576 -6.699 3.319 1.00 0.44 H new ATOM 1698 N ALA A 539 -3.930 -7.299 1.187 1.00 0.31 N ATOM 1699 CA ALA A 539 -4.134 -6.472 0.022 1.00 0.31 C ATOM 1700 C ALA A 539 -2.844 -5.965 -0.521 1.00 0.31 C ATOM 1701 O ALA A 539 -2.067 -5.286 0.142 1.00 0.31 O ATOM 1702 CB ALA A 539 -5.132 -5.356 0.310 1.00 0.31 C ATOM 0 H ALA A 539 -3.683 -6.757 2.015 1.00 0.31 H new ATOM 0 HA ALA A 539 -4.572 -7.091 -0.761 1.00 0.31 H new ATOM 0 HB1 ALA A 539 -5.267 -4.748 -0.585 1.00 0.31 H new ATOM 0 HB2 ALA A 539 -6.089 -5.790 0.602 1.00 0.31 H new ATOM 0 HB3 ALA A 539 -4.755 -4.731 1.120 1.00 0.31 H new ATOM 1708 N MET A 540 -2.605 -6.329 -1.787 1.00 0.46 N ATOM 1709 CA MET A 540 -1.377 -6.041 -2.489 1.00 0.46 C ATOM 1710 C MET A 540 -1.568 -5.491 -3.886 1.00 0.46 C ATOM 1711 O MET A 540 -2.637 -5.598 -4.484 1.00 0.46 O ATOM 1712 CB MET A 540 -0.509 -7.321 -2.529 1.00 0.46 C ATOM 1713 CG MET A 540 -1.100 -8.550 -3.222 1.00 0.46 C ATOM 1714 SD MET A 540 0.050 -9.405 -4.378 1.00 0.46 S ATOM 1715 CE MET A 540 0.853 -8.068 -5.353 1.00 0.46 C ATOM 0 H MET A 540 -3.282 -6.842 -2.351 1.00 0.46 H new ATOM 0 HA MET A 540 -0.879 -5.246 -1.935 1.00 0.46 H new ATOM 0 HB2 MET A 540 0.431 -7.075 -3.023 1.00 0.46 H new ATOM 0 HB3 MET A 540 -0.267 -7.597 -1.502 1.00 0.46 H new ATOM 0 HG2 MET A 540 -1.423 -9.260 -2.461 1.00 0.46 H new ATOM 0 HG3 MET A 540 -1.990 -8.247 -3.774 1.00 0.46 H new ATOM 0 HE1 MET A 540 1.249 -8.482 -6.281 1.00 0.46 H new ATOM 0 HE2 MET A 540 0.120 -7.295 -5.584 1.00 0.46 H new ATOM 0 HE3 MET A 540 1.667 -7.634 -4.773 1.00 0.46 H new ATOM 1725 N ARG A 541 -0.483 -4.903 -4.444 1.00 0.63 N ATOM 1726 CA ARG A 541 -0.427 -4.353 -5.782 1.00 0.63 C ATOM 1727 C ARG A 541 0.941 -4.567 -6.388 1.00 0.63 C ATOM 1728 O ARG A 541 1.964 -4.644 -5.707 1.00 0.63 O ATOM 1729 CB ARG A 541 -0.907 -2.877 -5.853 1.00 0.63 C ATOM 1730 CG ARG A 541 -0.053 -1.764 -5.206 1.00 0.63 C ATOM 1731 CD ARG A 541 0.912 -1.088 -6.208 1.00 0.63 C ATOM 1732 NE ARG A 541 1.566 0.120 -5.575 1.00 0.63 N ATOM 1733 CZ ARG A 541 1.539 1.387 -6.100 1.00 0.63 C ATOM 1734 NH1 ARG A 541 0.803 1.687 -7.207 1.00 0.63 N ATOM 1735 NH2 ARG A 541 2.261 2.377 -5.493 1.00 0.63 N ATOM 0 H ARG A 541 0.399 -4.805 -3.941 1.00 0.63 H new ATOM 0 HA ARG A 541 -1.142 -4.902 -6.394 1.00 0.63 H new ATOM 0 HB2 ARG A 541 -1.028 -2.624 -6.906 1.00 0.63 H new ATOM 0 HB3 ARG A 541 -1.897 -2.834 -5.399 1.00 0.63 H new ATOM 0 HG2 ARG A 541 -0.713 -1.009 -4.778 1.00 0.63 H new ATOM 0 HG3 ARG A 541 0.523 -2.187 -4.383 1.00 0.63 H new ATOM 0 HD2 ARG A 541 1.675 -1.799 -6.524 1.00 0.63 H new ATOM 0 HD3 ARG A 541 0.366 -0.787 -7.102 1.00 0.63 H new ATOM 0 HE ARG A 541 2.063 -0.017 -4.695 1.00 0.63 H new ATOM 0 HH11 ARG A 541 0.254 0.961 -7.667 1.00 0.63 H new ATOM 0 HH12 ARG A 541 0.801 2.638 -7.576 1.00 0.63 H new ATOM 0 HH21 ARG A 541 2.811 2.169 -4.660 1.00 0.63 H new ATOM 0 HH22 ARG A 541 2.249 3.323 -5.874 1.00 0.63 H new ATOM 1749 N LYS A 542 1.014 -4.661 -7.730 1.00 0.41 N ATOM 1750 CA LYS A 542 2.268 -4.842 -8.432 1.00 0.41 C ATOM 1751 C LYS A 542 2.220 -3.938 -9.636 1.00 0.41 C ATOM 1752 O LYS A 542 1.261 -3.938 -10.415 1.00 0.41 O ATOM 1753 CB LYS A 542 2.523 -6.330 -8.794 1.00 0.41 C ATOM 1754 CG LYS A 542 3.921 -6.679 -9.328 1.00 0.41 C ATOM 1755 CD LYS A 542 4.110 -8.202 -9.412 1.00 0.41 C ATOM 1756 CE LYS A 542 5.420 -8.622 -10.092 1.00 0.41 C ATOM 1757 NZ LYS A 542 5.617 -10.088 -10.005 1.00 0.41 N ATOM 0 H LYS A 542 0.200 -4.612 -8.342 1.00 0.41 H new ATOM 0 HA LYS A 542 3.114 -4.573 -7.800 1.00 0.41 H new ATOM 0 HB2 LYS A 542 2.338 -6.933 -7.905 1.00 0.41 H new ATOM 0 HB3 LYS A 542 1.788 -6.629 -9.542 1.00 0.41 H new ATOM 0 HG2 LYS A 542 4.059 -6.236 -10.314 1.00 0.41 H new ATOM 0 HG3 LYS A 542 4.682 -6.249 -8.676 1.00 0.41 H new ATOM 0 HD2 LYS A 542 4.083 -8.619 -8.405 1.00 0.41 H new ATOM 0 HD3 LYS A 542 3.272 -8.634 -9.959 1.00 0.41 H new ATOM 0 HE2 LYS A 542 5.406 -8.315 -11.138 1.00 0.41 H new ATOM 0 HE3 LYS A 542 6.259 -8.110 -9.621 1.00 0.41 H new ATOM 0 HZ1 LYS A 542 6.510 -10.347 -10.472 1.00 0.41 H new ATOM 0 HZ2 LYS A 542 5.653 -10.375 -9.006 1.00 0.41 H new ATOM 0 HZ3 LYS A 542 4.827 -10.573 -10.476 1.00 0.41 H new ATOM 1771 N LEU A 543 3.303 -3.145 -9.810 1.00 0.31 N ATOM 1772 CA LEU A 543 3.503 -2.265 -10.942 1.00 0.31 C ATOM 1773 C LEU A 543 4.680 -2.892 -11.669 1.00 0.31 C ATOM 1774 O LEU A 543 5.669 -3.316 -11.063 1.00 0.31 O ATOM 1775 CB LEU A 543 3.864 -0.833 -10.556 1.00 0.31 C ATOM 1776 CG LEU A 543 2.767 0.055 -9.940 1.00 0.31 C ATOM 1777 CD1 LEU A 543 3.084 1.498 -10.346 1.00 0.31 C ATOM 1778 CD2 LEU A 543 1.323 -0.247 -10.353 1.00 0.31 C ATOM 0 H LEU A 543 4.071 -3.113 -9.139 1.00 0.31 H new ATOM 0 HA LEU A 543 2.587 -2.178 -11.526 1.00 0.31 H new ATOM 0 HB2 LEU A 543 4.692 -0.878 -9.848 1.00 0.31 H new ATOM 0 HB3 LEU A 543 4.235 -0.331 -11.450 1.00 0.31 H new ATOM 0 HG LEU A 543 2.794 -0.138 -8.868 1.00 0.31 H new ATOM 0 HD11 LEU A 543 2.330 2.167 -9.931 1.00 0.31 H new ATOM 0 HD12 LEU A 543 4.066 1.776 -9.964 1.00 0.31 H new ATOM 0 HD13 LEU A 543 3.082 1.579 -11.433 1.00 0.31 H new ATOM 0 HD21 LEU A 543 0.648 0.447 -9.851 1.00 0.31 H new ATOM 0 HD22 LEU A 543 1.222 -0.134 -11.432 1.00 0.31 H new ATOM 0 HD23 LEU A 543 1.070 -1.269 -10.069 1.00 0.31 H new