USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 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 561 CYS SG : rot 180:sc=-0.00705 USER MOD Set 1.2: A 596 MET CE :methyl 143:sc= -1.42 (180deg=-2.56!) USER MOD Set 1.3: A 597 MET CE :methyl -149:sc= -5.36! (180deg=-8.23!) USER MOD Set 2.1: A 566 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 570 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 544 ASN : amide:sc= -1.82! X(o=-1.8!,f=-2.1) USER MOD Single : A 550 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0214) USER MOD Single : A 553 MET CE :methyl -131:sc= -1.51 (180deg=-1.81) USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 559 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 563 HIS :FLIP no HD1:sc= -0.562 F(o=-2.7!,f=-0.56) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 579 CYS SG : rot 25:sc= -1.27 USER MOD Single : A 583 LYS NZ :NH3+ -165:sc=-0.00846 (180deg=-0.144) USER MOD Single : A 586 SER OG : rot 180:sc= 0 USER MOD Single : A 594 CYS SG : rot -160:sc= -1.4 USER MOD Single : A 598 ASN : amide:sc= -3.08 K(o=-3.1,f=-4.7!) USER MOD Single : A 600 MET CE :methyl 147:sc= -8.55! (180deg=-11.1!) USER MOD Single : A 601 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 603 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 539 -5.854 11.341 5.530 1.00 0.00 N ATOM 60 CA GLY A 539 -5.088 10.122 5.712 1.00 0.00 C ATOM 61 C GLY A 539 -5.966 8.925 6.015 1.00 0.00 C ATOM 62 O GLY A 539 -6.801 8.972 6.919 1.00 0.00 O ATOM 0 HA2 GLY A 539 -4.507 9.924 4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 539 -4.376 10.262 6.526 1.00 0.00 H new ATOM 66 N ILE A 540 -5.780 7.850 5.257 1.00 0.00 N ATOM 67 CA ILE A 540 -6.563 6.635 5.449 1.00 0.00 C ATOM 68 C ILE A 540 -5.984 5.780 6.571 1.00 0.00 C ATOM 69 O ILE A 540 -5.036 6.181 7.246 1.00 0.00 O ATOM 70 CB ILE A 540 -6.625 5.795 4.159 1.00 0.00 C ATOM 71 CG1 ILE A 540 -5.264 5.158 3.874 1.00 0.00 C ATOM 72 CG2 ILE A 540 -7.069 6.658 2.987 1.00 0.00 C ATOM 73 CD1 ILE A 540 -5.317 4.057 2.837 1.00 0.00 C ATOM 0 H ILE A 540 -5.094 7.795 4.504 1.00 0.00 H new ATOM 0 HA ILE A 540 -7.572 6.949 5.717 1.00 0.00 H new ATOM 0 HB ILE A 540 -7.356 4.998 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 540 -4.574 5.931 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 540 -4.860 4.753 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 540 -7.108 6.051 2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 540 -8.058 7.069 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 540 -6.360 7.473 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 540 -4.317 3.651 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 540 -5.982 3.265 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 540 -5.691 4.461 1.896 1.00 0.00 H new ATOM 85 N PHE A 541 -6.561 4.599 6.765 1.00 0.00 N ATOM 86 CA PHE A 541 -6.103 3.686 7.806 1.00 0.00 C ATOM 87 C PHE A 541 -6.207 2.236 7.341 1.00 0.00 C ATOM 88 O PHE A 541 -7.105 1.879 6.579 1.00 0.00 O ATOM 89 CB PHE A 541 -6.920 3.883 9.084 1.00 0.00 C ATOM 90 CG PHE A 541 -6.153 3.582 10.339 1.00 0.00 C ATOM 91 CD1 PHE A 541 -5.951 2.273 10.746 1.00 0.00 C ATOM 92 CD2 PHE A 541 -5.633 4.607 11.112 1.00 0.00 C ATOM 93 CE1 PHE A 541 -5.245 1.992 11.900 1.00 0.00 C ATOM 94 CE2 PHE A 541 -4.926 4.332 12.267 1.00 0.00 C ATOM 95 CZ PHE A 541 -4.733 3.023 12.662 1.00 0.00 C ATOM 0 H PHE A 541 -7.347 4.251 6.215 1.00 0.00 H new ATOM 0 HA PHE A 541 -5.057 3.909 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 541 -7.275 4.913 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 541 -7.801 3.243 9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 541 -6.350 1.463 10.154 1.00 0.00 H new ATOM 0 HD2 PHE A 541 -5.782 5.633 10.809 1.00 0.00 H new ATOM 0 HE1 PHE A 541 -5.094 0.967 12.205 1.00 0.00 H new ATOM 0 HE2 PHE A 541 -4.525 5.140 12.860 1.00 0.00 H new ATOM 0 HZ PHE A 541 -4.182 2.806 13.565 1.00 0.00 H new ATOM 105 N VAL A 542 -5.280 1.404 7.806 1.00 0.00 N ATOM 106 CA VAL A 542 -5.266 -0.007 7.439 1.00 0.00 C ATOM 107 C VAL A 542 -5.063 -0.891 8.665 1.00 0.00 C ATOM 108 O VAL A 542 -4.335 -0.530 9.590 1.00 0.00 O ATOM 109 CB VAL A 542 -4.159 -0.310 6.413 1.00 0.00 C ATOM 110 CG1 VAL A 542 -4.382 -1.671 5.772 1.00 0.00 C ATOM 111 CG2 VAL A 542 -4.099 0.783 5.356 1.00 0.00 C ATOM 0 H VAL A 542 -4.529 1.683 8.437 1.00 0.00 H new ATOM 0 HA VAL A 542 -6.235 -0.227 6.991 1.00 0.00 H new ATOM 0 HB VAL A 542 -3.202 -0.333 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 542 -3.590 -1.867 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 542 -4.370 -2.442 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 542 -5.346 -1.680 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 542 -3.311 0.553 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 542 -5.056 0.841 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 542 -3.887 1.740 5.833 1.00 0.00 H new ATOM 121 N ARG A 543 -5.711 -2.051 8.665 1.00 0.00 N ATOM 122 CA ARG A 543 -5.602 -2.987 9.777 1.00 0.00 C ATOM 123 C ARG A 543 -5.427 -4.416 9.270 1.00 0.00 C ATOM 124 O ARG A 543 -5.761 -4.725 8.127 1.00 0.00 O ATOM 125 CB ARG A 543 -6.842 -2.899 10.669 1.00 0.00 C ATOM 126 CG ARG A 543 -6.725 -1.862 11.773 1.00 0.00 C ATOM 127 CD ARG A 543 -7.897 -1.942 12.739 1.00 0.00 C ATOM 128 NE ARG A 543 -7.991 -3.252 13.378 1.00 0.00 N ATOM 129 CZ ARG A 543 -8.628 -4.287 12.842 1.00 0.00 C ATOM 130 NH1 ARG A 543 -9.224 -4.166 11.664 1.00 0.00 N ATOM 131 NH2 ARG A 543 -8.669 -5.448 13.485 1.00 0.00 N ATOM 0 H ARG A 543 -6.317 -2.365 7.907 1.00 0.00 H new ATOM 0 HA ARG A 543 -4.722 -2.717 10.361 1.00 0.00 H new ATOM 0 HB2 ARG A 543 -7.708 -2.663 10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 543 -7.027 -3.875 11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 543 -5.793 -2.012 12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 543 -6.681 -0.865 11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 543 -7.790 -1.173 13.504 1.00 0.00 H new ATOM 0 HD3 ARG A 543 -8.823 -1.732 12.204 1.00 0.00 H new ATOM 0 HE ARG A 543 -7.543 -3.379 14.285 1.00 0.00 H new ATOM 0 HH11 ARG A 543 -9.194 -3.276 11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 543 -9.712 -4.963 11.255 1.00 0.00 H new ATOM 0 HH21 ARG A 543 -8.211 -5.546 14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 543 -9.158 -6.242 13.073 1.00 0.00 H new ATOM 145 N ASN A 544 -4.901 -5.283 10.129 1.00 0.00 N ATOM 146 CA ASN A 544 -4.680 -6.679 9.768 1.00 0.00 C ATOM 147 C ASN A 544 -3.527 -6.809 8.778 1.00 0.00 C ATOM 148 O ASN A 544 -3.579 -7.617 7.850 1.00 0.00 O ATOM 149 CB ASN A 544 -5.953 -7.279 9.167 1.00 0.00 C ATOM 150 CG ASN A 544 -5.962 -8.794 9.229 1.00 0.00 C ATOM 151 OD1 ASN A 544 -6.571 -9.386 10.120 1.00 0.00 O ATOM 152 ND2 ASN A 544 -5.285 -9.429 8.279 1.00 0.00 N ATOM 0 H ASN A 544 -4.620 -5.044 11.080 1.00 0.00 H new ATOM 0 HA ASN A 544 -4.421 -7.226 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 544 -6.821 -6.891 9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 544 -6.047 -6.960 8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 544 -5.255 -10.449 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 544 -4.795 -8.897 7.560 1.00 0.00 H new ATOM 159 N LEU A 545 -2.486 -6.009 8.983 1.00 0.00 N ATOM 160 CA LEU A 545 -1.318 -6.034 8.109 1.00 0.00 C ATOM 161 C LEU A 545 -0.265 -7.005 8.635 1.00 0.00 C ATOM 162 O LEU A 545 -0.064 -7.147 9.841 1.00 0.00 O ATOM 163 CB LEU A 545 -0.719 -4.633 7.985 1.00 0.00 C ATOM 164 CG LEU A 545 -1.503 -3.641 7.125 1.00 0.00 C ATOM 165 CD1 LEU A 545 -1.105 -2.212 7.460 1.00 0.00 C ATOM 166 CD2 LEU A 545 -1.283 -3.925 5.647 1.00 0.00 C ATOM 0 H LEU A 545 -2.427 -5.335 9.747 1.00 0.00 H new ATOM 0 HA LEU A 545 -1.639 -6.373 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 545 -0.617 -4.214 8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 545 0.286 -4.725 7.573 1.00 0.00 H new ATOM 0 HG LEU A 545 -2.564 -3.761 7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 545 -1.673 -1.521 6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 545 -1.316 -2.012 8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 545 -0.040 -2.077 7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 545 -1.849 -3.209 5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 545 -0.222 -3.834 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 545 -1.620 -4.936 5.417 1.00 0.00 H new ATOM 178 N PRO A 546 0.424 -7.689 7.710 1.00 0.00 N ATOM 179 CA PRO A 546 1.470 -8.656 8.056 1.00 0.00 C ATOM 180 C PRO A 546 2.714 -7.984 8.629 1.00 0.00 C ATOM 181 O PRO A 546 3.158 -6.949 8.132 1.00 0.00 O ATOM 182 CB PRO A 546 1.792 -9.325 6.718 1.00 0.00 C ATOM 183 CG PRO A 546 1.414 -8.316 5.689 1.00 0.00 C ATOM 184 CD PRO A 546 0.237 -7.570 6.254 1.00 0.00 C ATOM 0 HA PRO A 546 1.142 -9.352 8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 546 2.849 -9.584 6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 546 1.228 -10.249 6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 546 2.243 -7.639 5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 546 1.155 -8.798 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 546 0.230 -6.528 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 546 -0.708 -8.008 5.933 1.00 0.00 H new ATOM 192 N PHE A 547 3.272 -8.580 9.678 1.00 0.00 N ATOM 193 CA PHE A 547 4.465 -8.039 10.319 1.00 0.00 C ATOM 194 C PHE A 547 5.510 -7.645 9.279 1.00 0.00 C ATOM 195 O PHE A 547 5.904 -6.483 9.189 1.00 0.00 O ATOM 196 CB PHE A 547 5.056 -9.063 11.290 1.00 0.00 C ATOM 197 CG PHE A 547 4.080 -9.538 12.328 1.00 0.00 C ATOM 198 CD1 PHE A 547 3.618 -8.676 13.310 1.00 0.00 C ATOM 199 CD2 PHE A 547 3.625 -10.846 12.322 1.00 0.00 C ATOM 200 CE1 PHE A 547 2.719 -9.110 14.266 1.00 0.00 C ATOM 201 CE2 PHE A 547 2.725 -11.286 13.276 1.00 0.00 C ATOM 202 CZ PHE A 547 2.273 -10.417 14.249 1.00 0.00 C ATOM 0 H PHE A 547 2.917 -9.437 10.102 1.00 0.00 H new ATOM 0 HA PHE A 547 4.176 -7.146 10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 547 5.419 -9.921 10.724 1.00 0.00 H new ATOM 0 HB3 PHE A 547 5.919 -8.623 11.789 1.00 0.00 H new ATOM 0 HD1 PHE A 547 3.964 -7.653 13.328 1.00 0.00 H new ATOM 0 HD2 PHE A 547 3.977 -11.530 11.564 1.00 0.00 H new ATOM 0 HE1 PHE A 547 2.366 -8.428 15.025 1.00 0.00 H new ATOM 0 HE2 PHE A 547 2.376 -12.308 13.260 1.00 0.00 H new ATOM 0 HZ PHE A 547 1.572 -10.759 14.996 1.00 0.00 H new ATOM 212 N ASP A 548 5.955 -8.623 8.497 1.00 0.00 N ATOM 213 CA ASP A 548 6.954 -8.380 7.462 1.00 0.00 C ATOM 214 C ASP A 548 6.755 -7.007 6.827 1.00 0.00 C ATOM 215 O ASP A 548 7.716 -6.358 6.413 1.00 0.00 O ATOM 216 CB ASP A 548 6.883 -9.467 6.389 1.00 0.00 C ATOM 217 CG ASP A 548 7.808 -9.188 5.221 1.00 0.00 C ATOM 218 OD1 ASP A 548 9.036 -9.340 5.387 1.00 0.00 O ATOM 219 OD2 ASP A 548 7.303 -8.819 4.140 1.00 0.00 O ATOM 0 H ASP A 548 5.640 -9.591 8.560 1.00 0.00 H new ATOM 0 HA ASP A 548 7.939 -8.406 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 548 7.142 -10.429 6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 548 5.858 -9.549 6.026 1.00 0.00 H new ATOM 224 N PHE A 549 5.502 -6.570 6.753 1.00 0.00 N ATOM 225 CA PHE A 549 5.178 -5.276 6.166 1.00 0.00 C ATOM 226 C PHE A 549 5.902 -4.150 6.898 1.00 0.00 C ATOM 227 O PHE A 549 5.615 -3.864 8.062 1.00 0.00 O ATOM 228 CB PHE A 549 3.667 -5.038 6.208 1.00 0.00 C ATOM 229 CG PHE A 549 3.163 -4.184 5.079 1.00 0.00 C ATOM 230 CD1 PHE A 549 2.878 -4.744 3.844 1.00 0.00 C ATOM 231 CD2 PHE A 549 2.973 -2.823 5.253 1.00 0.00 C ATOM 232 CE1 PHE A 549 2.415 -3.961 2.804 1.00 0.00 C ATOM 233 CE2 PHE A 549 2.510 -2.035 4.217 1.00 0.00 C ATOM 234 CZ PHE A 549 2.229 -2.605 2.991 1.00 0.00 C ATOM 0 H PHE A 549 4.695 -7.093 7.092 1.00 0.00 H new ATOM 0 HA PHE A 549 5.510 -5.282 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 549 3.155 -6.000 6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 549 3.408 -4.564 7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 549 3.019 -5.804 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 549 3.189 -2.372 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 549 2.199 -4.409 1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 549 2.368 -0.975 4.366 1.00 0.00 H new ATOM 0 HZ PHE A 549 1.865 -1.992 2.180 1.00 0.00 H new ATOM 244 N THR A 550 6.843 -3.513 6.209 1.00 0.00 N ATOM 245 CA THR A 550 7.610 -2.419 6.793 1.00 0.00 C ATOM 246 C THR A 550 7.149 -1.072 6.249 1.00 0.00 C ATOM 247 O THR A 550 6.694 -0.975 5.109 1.00 0.00 O ATOM 248 CB THR A 550 9.117 -2.582 6.519 1.00 0.00 C ATOM 249 OG1 THR A 550 9.330 -2.943 5.150 1.00 0.00 O ATOM 250 CG2 THR A 550 9.721 -3.641 7.428 1.00 0.00 C ATOM 0 H THR A 550 7.093 -3.736 5.245 1.00 0.00 H new ATOM 0 HA THR A 550 7.438 -2.451 7.869 1.00 0.00 H new ATOM 0 HB THR A 550 9.606 -1.629 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 550 10.291 -3.043 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 550 10.786 -3.738 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 550 9.584 -3.348 8.469 1.00 0.00 H new ATOM 0 HG23 THR A 550 9.227 -4.597 7.252 1.00 0.00 H new ATOM 258 N TRP A 551 7.269 -0.036 7.070 1.00 0.00 N ATOM 259 CA TRP A 551 6.864 1.307 6.670 1.00 0.00 C ATOM 260 C TRP A 551 7.142 1.541 5.189 1.00 0.00 C ATOM 261 O TRP A 551 6.276 2.011 4.451 1.00 0.00 O ATOM 262 CB TRP A 551 7.596 2.355 7.510 1.00 0.00 C ATOM 263 CG TRP A 551 9.075 2.384 7.267 1.00 0.00 C ATOM 264 CD1 TRP A 551 10.025 1.637 7.903 1.00 0.00 C ATOM 265 CD2 TRP A 551 9.772 3.202 6.321 1.00 0.00 C ATOM 266 NE1 TRP A 551 11.271 1.942 7.409 1.00 0.00 N ATOM 267 CE2 TRP A 551 11.142 2.899 6.438 1.00 0.00 C ATOM 268 CE3 TRP A 551 9.371 4.160 5.386 1.00 0.00 C ATOM 269 CZ2 TRP A 551 12.111 3.521 5.655 1.00 0.00 C ATOM 270 CZ3 TRP A 551 10.334 4.777 4.610 1.00 0.00 C ATOM 271 CH2 TRP A 551 11.691 4.455 4.747 1.00 0.00 C ATOM 0 H TRP A 551 7.643 -0.099 8.017 1.00 0.00 H new ATOM 0 HA TRP A 551 5.791 1.401 6.839 1.00 0.00 H new ATOM 0 HB2 TRP A 551 7.180 3.339 7.293 1.00 0.00 H new ATOM 0 HB3 TRP A 551 7.412 2.157 8.566 1.00 0.00 H new ATOM 0 HD1 TRP A 551 9.827 0.913 8.680 1.00 0.00 H new ATOM 0 HE1 TRP A 551 12.149 1.523 7.716 1.00 0.00 H new ATOM 0 HE3 TRP A 551 8.327 4.414 5.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 551 13.157 3.275 5.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 551 10.036 5.520 3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 551 12.419 4.953 4.124 1.00 0.00 H new ATOM 282 N LYS A 552 8.355 1.210 4.760 1.00 0.00 N ATOM 283 CA LYS A 552 8.747 1.382 3.366 1.00 0.00 C ATOM 284 C LYS A 552 7.660 0.868 2.427 1.00 0.00 C ATOM 285 O LYS A 552 7.230 1.573 1.515 1.00 0.00 O ATOM 286 CB LYS A 552 10.062 0.650 3.090 1.00 0.00 C ATOM 287 CG LYS A 552 11.296 1.473 3.417 1.00 0.00 C ATOM 288 CD LYS A 552 12.471 1.092 2.531 1.00 0.00 C ATOM 289 CE LYS A 552 13.762 1.737 3.011 1.00 0.00 C ATOM 290 NZ LYS A 552 14.304 1.061 4.222 1.00 0.00 N ATOM 0 H LYS A 552 9.084 0.821 5.358 1.00 0.00 H new ATOM 0 HA LYS A 552 8.886 2.448 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 552 10.085 -0.271 3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 552 10.095 0.363 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 552 11.072 2.532 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 552 11.565 1.327 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 552 12.586 0.008 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 552 12.269 1.399 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 552 14.504 1.702 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 552 13.582 2.789 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 552 15.241 1.452 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 552 13.661 1.218 5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 552 14.389 0.040 4.041 1.00 0.00 H new ATOM 304 N MET A 553 7.220 -0.365 2.658 1.00 0.00 N ATOM 305 CA MET A 553 6.181 -0.972 1.834 1.00 0.00 C ATOM 306 C MET A 553 4.931 -0.099 1.806 1.00 0.00 C ATOM 307 O MET A 553 4.463 0.298 0.738 1.00 0.00 O ATOM 308 CB MET A 553 5.833 -2.366 2.360 1.00 0.00 C ATOM 309 CG MET A 553 6.998 -3.341 2.315 1.00 0.00 C ATOM 310 SD MET A 553 6.514 -5.021 2.757 1.00 0.00 S ATOM 311 CE MET A 553 5.363 -5.401 1.439 1.00 0.00 C ATOM 0 H MET A 553 7.567 -0.963 3.408 1.00 0.00 H new ATOM 0 HA MET A 553 6.563 -1.061 0.817 1.00 0.00 H new ATOM 0 HB2 MET A 553 5.481 -2.280 3.388 1.00 0.00 H new ATOM 0 HB3 MET A 553 5.008 -2.771 1.774 1.00 0.00 H new ATOM 0 HG2 MET A 553 7.427 -3.342 1.313 1.00 0.00 H new ATOM 0 HG3 MET A 553 7.778 -3.001 2.996 1.00 0.00 H new ATOM 0 HE1 MET A 553 4.446 -5.810 1.863 1.00 0.00 H new ATOM 0 HE2 MET A 553 5.132 -4.492 0.884 1.00 0.00 H new ATOM 0 HE3 MET A 553 5.809 -6.133 0.766 1.00 0.00 H new ATOM 321 N LEU A 554 4.393 0.195 2.984 1.00 0.00 N ATOM 322 CA LEU A 554 3.196 1.021 3.094 1.00 0.00 C ATOM 323 C LEU A 554 3.249 2.191 2.116 1.00 0.00 C ATOM 324 O LEU A 554 2.270 2.487 1.432 1.00 0.00 O ATOM 325 CB LEU A 554 3.043 1.544 4.524 1.00 0.00 C ATOM 326 CG LEU A 554 1.756 2.315 4.822 1.00 0.00 C ATOM 327 CD1 LEU A 554 0.567 1.369 4.877 1.00 0.00 C ATOM 328 CD2 LEU A 554 1.887 3.086 6.128 1.00 0.00 C ATOM 0 H LEU A 554 4.767 -0.126 3.877 1.00 0.00 H new ATOM 0 HA LEU A 554 2.334 0.402 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 554 3.102 0.697 5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 554 3.891 2.192 4.745 1.00 0.00 H new ATOM 0 HG LEU A 554 1.588 3.029 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 554 -0.339 1.936 5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 554 0.461 0.862 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 554 0.726 0.630 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 554 0.962 3.629 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 554 2.079 2.389 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 554 2.713 3.793 6.052 1.00 0.00 H new ATOM 340 N LYS A 555 4.401 2.851 2.054 1.00 0.00 N ATOM 341 CA LYS A 555 4.585 3.986 1.158 1.00 0.00 C ATOM 342 C LYS A 555 4.622 3.530 -0.297 1.00 0.00 C ATOM 343 O LYS A 555 3.767 3.907 -1.098 1.00 0.00 O ATOM 344 CB LYS A 555 5.877 4.731 1.503 1.00 0.00 C ATOM 345 CG LYS A 555 6.241 5.813 0.502 1.00 0.00 C ATOM 346 CD LYS A 555 7.738 6.071 0.478 1.00 0.00 C ATOM 347 CE LYS A 555 8.056 7.463 -0.043 1.00 0.00 C ATOM 348 NZ LYS A 555 9.514 7.645 -0.286 1.00 0.00 N ATOM 0 H LYS A 555 5.221 2.619 2.614 1.00 0.00 H new ATOM 0 HA LYS A 555 3.738 4.660 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 555 5.774 5.181 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 555 6.695 4.013 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.906 5.517 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 555 5.716 6.734 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 555 8.144 5.956 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 555 8.226 5.326 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 555 7.509 7.638 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 555 7.712 8.207 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 9.689 8.607 -0.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 10.034 7.503 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 9.838 6.952 -0.991 1.00 0.00 H new ATOM 362 N ASP A 556 5.617 2.715 -0.632 1.00 0.00 N ATOM 363 CA ASP A 556 5.764 2.205 -1.990 1.00 0.00 C ATOM 364 C ASP A 556 4.484 1.516 -2.453 1.00 0.00 C ATOM 365 O ASP A 556 3.831 1.964 -3.396 1.00 0.00 O ATOM 366 CB ASP A 556 6.939 1.229 -2.067 1.00 0.00 C ATOM 367 CG ASP A 556 8.273 1.939 -2.198 1.00 0.00 C ATOM 368 OD1 ASP A 556 8.432 2.730 -3.151 1.00 0.00 O ATOM 369 OD2 ASP A 556 9.157 1.702 -1.349 1.00 0.00 O ATOM 0 H ASP A 556 6.334 2.394 0.019 1.00 0.00 H new ATOM 0 HA ASP A 556 5.960 3.050 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 556 6.949 0.605 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 556 6.800 0.563 -2.919 1.00 0.00 H new ATOM 374 N LYS A 557 4.131 0.424 -1.784 1.00 0.00 N ATOM 375 CA LYS A 557 2.929 -0.328 -2.126 1.00 0.00 C ATOM 376 C LYS A 557 1.784 0.612 -2.491 1.00 0.00 C ATOM 377 O LYS A 557 1.103 0.415 -3.498 1.00 0.00 O ATOM 378 CB LYS A 557 2.514 -1.225 -0.957 1.00 0.00 C ATOM 379 CG LYS A 557 1.068 -1.685 -1.027 1.00 0.00 C ATOM 380 CD LYS A 557 0.840 -2.633 -2.192 1.00 0.00 C ATOM 381 CE LYS A 557 1.050 -4.082 -1.780 1.00 0.00 C ATOM 382 NZ LYS A 557 1.530 -4.918 -2.916 1.00 0.00 N ATOM 0 H LYS A 557 4.660 0.040 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 557 3.154 -0.951 -2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.164 -2.100 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 557 2.670 -0.686 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 557 0.798 -2.181 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 557 0.414 -0.819 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 557 -0.173 -2.505 -2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 557 1.521 -2.382 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 557 1.773 -4.127 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 557 0.114 -4.490 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 1.661 -5.898 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 0.829 -4.896 -3.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 2.436 -4.544 -3.264 1.00 0.00 H new ATOM 396 N PHE A 558 1.579 1.634 -1.667 1.00 0.00 N ATOM 397 CA PHE A 558 0.517 2.605 -1.904 1.00 0.00 C ATOM 398 C PHE A 558 0.951 3.645 -2.933 1.00 0.00 C ATOM 399 O PHE A 558 0.118 4.278 -3.581 1.00 0.00 O ATOM 400 CB PHE A 558 0.128 3.297 -0.596 1.00 0.00 C ATOM 401 CG PHE A 558 -0.719 2.444 0.304 1.00 0.00 C ATOM 402 CD1 PHE A 558 -0.318 1.162 0.646 1.00 0.00 C ATOM 403 CD2 PHE A 558 -1.917 2.923 0.809 1.00 0.00 C ATOM 404 CE1 PHE A 558 -1.096 0.375 1.473 1.00 0.00 C ATOM 405 CE2 PHE A 558 -2.700 2.141 1.637 1.00 0.00 C ATOM 406 CZ PHE A 558 -2.288 0.865 1.971 1.00 0.00 C ATOM 0 H PHE A 558 2.134 1.811 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 558 -0.349 2.071 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 558 1.034 3.585 -0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 558 -0.412 4.215 -0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 558 0.614 0.774 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 558 -2.243 3.920 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 558 -0.773 -0.623 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 558 -3.632 2.527 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 558 -2.896 0.252 2.620 1.00 0.00 H new ATOM 416 N ASN A 559 2.261 3.816 -3.077 1.00 0.00 N ATOM 417 CA ASN A 559 2.806 4.780 -4.026 1.00 0.00 C ATOM 418 C ASN A 559 2.321 4.485 -5.441 1.00 0.00 C ATOM 419 O ASN A 559 2.367 5.348 -6.316 1.00 0.00 O ATOM 420 CB ASN A 559 4.336 4.759 -3.984 1.00 0.00 C ATOM 421 CG ASN A 559 4.948 6.006 -4.591 1.00 0.00 C ATOM 422 OD1 ASN A 559 5.219 6.058 -5.791 1.00 0.00 O ATOM 423 ND2 ASN A 559 5.169 7.020 -3.762 1.00 0.00 N ATOM 0 H ASN A 559 2.965 3.300 -2.549 1.00 0.00 H new ATOM 0 HA ASN A 559 2.455 5.772 -3.741 1.00 0.00 H new ATOM 0 HB2 ASN A 559 4.667 4.661 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 559 4.699 3.882 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 559 5.579 7.886 -4.113 1.00 0.00 H new ATOM 0 HD22 ASN A 559 4.929 6.933 -2.775 1.00 0.00 H new ATOM 430 N GLU A 560 1.855 3.258 -5.657 1.00 0.00 N ATOM 431 CA GLU A 560 1.361 2.849 -6.967 1.00 0.00 C ATOM 432 C GLU A 560 0.072 3.587 -7.317 1.00 0.00 C ATOM 433 O GLU A 560 -0.115 4.027 -8.452 1.00 0.00 O ATOM 434 CB GLU A 560 1.121 1.338 -6.997 1.00 0.00 C ATOM 435 CG GLU A 560 2.345 0.520 -6.624 1.00 0.00 C ATOM 436 CD GLU A 560 2.331 -0.866 -7.240 1.00 0.00 C ATOM 437 OE1 GLU A 560 1.804 -1.009 -8.364 1.00 0.00 O ATOM 438 OE2 GLU A 560 2.846 -1.806 -6.600 1.00 0.00 O ATOM 0 H GLU A 560 1.809 2.531 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 560 2.118 3.104 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 560 0.309 1.094 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 560 0.793 1.051 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 560 3.242 1.048 -6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 560 2.401 0.431 -5.539 1.00 0.00 H new ATOM 445 N CYS A 561 -0.813 3.718 -6.335 1.00 0.00 N ATOM 446 CA CYS A 561 -2.086 4.401 -6.539 1.00 0.00 C ATOM 447 C CYS A 561 -1.878 5.904 -6.692 1.00 0.00 C ATOM 448 O CYS A 561 -2.365 6.515 -7.641 1.00 0.00 O ATOM 449 CB CYS A 561 -3.032 4.121 -5.370 1.00 0.00 C ATOM 450 SG CYS A 561 -3.284 2.363 -5.029 1.00 0.00 S ATOM 0 H CYS A 561 -0.673 3.361 -5.390 1.00 0.00 H new ATOM 0 HA CYS A 561 -2.532 4.019 -7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 561 -2.638 4.601 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 561 -3.997 4.582 -5.579 1.00 0.00 H new ATOM 0 HG CYS A 561 -4.096 2.228 -4.023 1.00 0.00 H new ATOM 456 N GLY A 562 -1.151 6.495 -5.748 1.00 0.00 N ATOM 457 CA GLY A 562 -0.893 7.922 -5.795 1.00 0.00 C ATOM 458 C GLY A 562 0.368 8.308 -5.046 1.00 0.00 C ATOM 459 O GLY A 562 1.105 7.444 -4.570 1.00 0.00 O ATOM 0 H GLY A 562 -0.736 6.011 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 562 -0.806 8.238 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 562 -1.743 8.456 -5.369 1.00 0.00 H new ATOM 463 N HIS A 563 0.618 9.610 -4.943 1.00 0.00 N ATOM 464 CA HIS A 563 1.799 10.108 -4.249 1.00 0.00 C ATOM 465 C HIS A 563 1.609 10.041 -2.736 1.00 0.00 C ATOM 466 O HIS A 563 0.684 10.643 -2.189 1.00 0.00 O ATOM 467 CB HIS A 563 2.097 11.546 -4.673 1.00 0.00 C ATOM 468 CG HIS A 563 3.356 12.098 -4.078 1.00 0.00 C ATOM 469 ND1 HIS A 563 3.861 11.999 -2.826 1.00 0.00 N flip ATOM 470 CD2 HIS A 563 4.258 12.857 -4.794 1.00 0.00 C flip ATOM 471 CE1 HIS A 563 5.046 12.691 -2.809 1.00 0.00 C flip ATOM 472 NE2 HIS A 563 5.263 13.199 -4.008 1.00 0.00 N flip ATOM 0 H HIS A 563 0.018 10.338 -5.331 1.00 0.00 H new ATOM 0 HA HIS A 563 2.643 9.474 -4.520 1.00 0.00 H new ATOM 0 HB2 HIS A 563 2.170 11.588 -5.760 1.00 0.00 H new ATOM 0 HB3 HIS A 563 1.260 12.182 -4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 563 4.158 13.129 -5.834 1.00 0.00 H new ATOM 0 HE1 HIS A 563 5.696 12.802 -1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 563 6.070 13.760 -4.281 1.00 0.00 H new ATOM 481 N VAL A 564 2.489 9.305 -2.066 1.00 0.00 N ATOM 482 CA VAL A 564 2.419 9.159 -0.617 1.00 0.00 C ATOM 483 C VAL A 564 3.223 10.248 0.085 1.00 0.00 C ATOM 484 O VAL A 564 4.387 10.484 -0.243 1.00 0.00 O ATOM 485 CB VAL A 564 2.937 7.781 -0.165 1.00 0.00 C ATOM 486 CG1 VAL A 564 3.078 7.733 1.349 1.00 0.00 C ATOM 487 CG2 VAL A 564 2.014 6.677 -0.658 1.00 0.00 C ATOM 0 H VAL A 564 3.260 8.800 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 564 1.369 9.252 -0.341 1.00 0.00 H new ATOM 0 HB VAL A 564 3.923 7.622 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 564 3.445 6.752 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 564 3.783 8.499 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 564 2.107 7.914 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 564 2.395 5.710 -0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 564 1.014 6.830 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 564 1.970 6.699 -1.747 1.00 0.00 H new ATOM 497 N LEU A 565 2.596 10.908 1.052 1.00 0.00 N ATOM 498 CA LEU A 565 3.254 11.973 1.802 1.00 0.00 C ATOM 499 C LEU A 565 3.722 11.470 3.164 1.00 0.00 C ATOM 500 O LEU A 565 4.806 11.823 3.628 1.00 0.00 O ATOM 501 CB LEU A 565 2.304 13.158 1.982 1.00 0.00 C ATOM 502 CG LEU A 565 1.808 13.822 0.696 1.00 0.00 C ATOM 503 CD1 LEU A 565 0.709 14.826 1.004 1.00 0.00 C ATOM 504 CD2 LEU A 565 2.960 14.497 -0.034 1.00 0.00 C ATOM 0 H LEU A 565 1.633 10.725 1.335 1.00 0.00 H new ATOM 0 HA LEU A 565 4.127 12.298 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 565 1.437 12.820 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 565 2.807 13.913 2.586 1.00 0.00 H new ATOM 0 HG LEU A 565 1.395 13.050 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 565 0.368 15.288 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 565 -0.126 14.315 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 565 1.096 15.595 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 565 2.589 14.964 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 565 3.402 15.258 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 565 3.715 13.753 -0.288 1.00 0.00 H new ATOM 516 N TYR A 566 2.898 10.644 3.799 1.00 0.00 N ATOM 517 CA TYR A 566 3.227 10.093 5.108 1.00 0.00 C ATOM 518 C TYR A 566 2.944 8.594 5.155 1.00 0.00 C ATOM 519 O TYR A 566 1.986 8.113 4.551 1.00 0.00 O ATOM 520 CB TYR A 566 2.431 10.808 6.201 1.00 0.00 C ATOM 521 CG TYR A 566 2.684 10.265 7.589 1.00 0.00 C ATOM 522 CD1 TYR A 566 3.936 10.373 8.181 1.00 0.00 C ATOM 523 CD2 TYR A 566 1.670 9.643 8.308 1.00 0.00 C ATOM 524 CE1 TYR A 566 4.172 9.877 9.449 1.00 0.00 C ATOM 525 CE2 TYR A 566 1.896 9.146 9.577 1.00 0.00 C ATOM 526 CZ TYR A 566 3.149 9.264 10.142 1.00 0.00 C ATOM 527 OH TYR A 566 3.379 8.770 11.406 1.00 0.00 O ATOM 0 H TYR A 566 1.997 10.341 3.428 1.00 0.00 H new ATOM 0 HA TYR A 566 4.292 10.249 5.282 1.00 0.00 H new ATOM 0 HB2 TYR A 566 2.680 11.869 6.184 1.00 0.00 H new ATOM 0 HB3 TYR A 566 1.368 10.726 5.976 1.00 0.00 H new ATOM 0 HD1 TYR A 566 4.739 10.853 7.641 1.00 0.00 H new ATOM 0 HD2 TYR A 566 0.689 9.547 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 566 5.151 9.969 9.895 1.00 0.00 H new ATOM 0 HE2 TYR A 566 1.097 8.668 10.124 1.00 0.00 H new ATOM 0 HH TYR A 566 2.552 8.815 11.930 1.00 0.00 H new ATOM 537 N ALA A 567 3.784 7.862 5.879 1.00 0.00 N ATOM 538 CA ALA A 567 3.624 6.419 6.008 1.00 0.00 C ATOM 539 C ALA A 567 4.390 5.888 7.215 1.00 0.00 C ATOM 540 O ALA A 567 5.613 6.012 7.290 1.00 0.00 O ATOM 541 CB ALA A 567 4.086 5.721 4.738 1.00 0.00 C ATOM 0 H ALA A 567 4.582 8.245 6.385 1.00 0.00 H new ATOM 0 HA ALA A 567 2.566 6.208 6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 567 3.961 4.644 4.849 1.00 0.00 H new ATOM 0 HB2 ALA A 567 3.492 6.071 3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 567 5.137 5.948 4.560 1.00 0.00 H new ATOM 547 N ASP A 568 3.664 5.297 8.157 1.00 0.00 N ATOM 548 CA ASP A 568 4.276 4.746 9.361 1.00 0.00 C ATOM 549 C ASP A 568 3.453 3.582 9.905 1.00 0.00 C ATOM 550 O ASP A 568 2.224 3.592 9.834 1.00 0.00 O ATOM 551 CB ASP A 568 4.416 5.831 10.430 1.00 0.00 C ATOM 552 CG ASP A 568 5.472 5.493 11.463 1.00 0.00 C ATOM 553 OD1 ASP A 568 6.574 5.060 11.065 1.00 0.00 O ATOM 554 OD2 ASP A 568 5.197 5.659 12.670 1.00 0.00 O ATOM 0 H ASP A 568 2.651 5.187 8.111 1.00 0.00 H new ATOM 0 HA ASP A 568 5.267 4.376 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 568 4.669 6.777 9.952 1.00 0.00 H new ATOM 0 HB3 ASP A 568 3.457 5.972 10.928 1.00 0.00 H new ATOM 559 N ILE A 569 4.139 2.581 10.446 1.00 0.00 N ATOM 560 CA ILE A 569 3.471 1.411 11.002 1.00 0.00 C ATOM 561 C ILE A 569 3.155 1.608 12.480 1.00 0.00 C ATOM 562 O ILE A 569 4.013 1.411 13.342 1.00 0.00 O ATOM 563 CB ILE A 569 4.329 0.142 10.836 1.00 0.00 C ATOM 564 CG1 ILE A 569 4.638 -0.102 9.358 1.00 0.00 C ATOM 565 CG2 ILE A 569 3.618 -1.060 11.440 1.00 0.00 C ATOM 566 CD1 ILE A 569 3.431 -0.528 8.551 1.00 0.00 C ATOM 0 H ILE A 569 5.157 2.557 10.511 1.00 0.00 H new ATOM 0 HA ILE A 569 2.540 1.286 10.448 1.00 0.00 H new ATOM 0 HB ILE A 569 5.271 0.286 11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 569 5.051 0.810 8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 569 5.408 -0.869 9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 569 4.236 -1.949 11.315 1.00 0.00 H new ATOM 0 HG22 ILE A 569 3.445 -0.885 12.502 1.00 0.00 H new ATOM 0 HG23 ILE A 569 2.663 -1.209 10.936 1.00 0.00 H new ATOM 0 HD11 ILE A 569 3.724 -0.683 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 569 3.031 -1.457 8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 569 2.668 0.249 8.600 1.00 0.00 H new ATOM 578 N LYS A 570 1.918 1.997 12.768 1.00 0.00 N ATOM 579 CA LYS A 570 1.486 2.219 14.143 1.00 0.00 C ATOM 580 C LYS A 570 1.862 1.036 15.029 1.00 0.00 C ATOM 581 O LYS A 570 1.235 -0.022 14.967 1.00 0.00 O ATOM 582 CB LYS A 570 -0.027 2.447 14.194 1.00 0.00 C ATOM 583 CG LYS A 570 -0.463 3.770 13.588 1.00 0.00 C ATOM 584 CD LYS A 570 -0.170 4.933 14.520 1.00 0.00 C ATOM 585 CE LYS A 570 0.048 6.225 13.748 1.00 0.00 C ATOM 586 NZ LYS A 570 1.429 6.316 13.197 1.00 0.00 N ATOM 0 H LYS A 570 1.196 2.165 12.067 1.00 0.00 H new ATOM 0 HA LYS A 570 1.994 3.107 14.518 1.00 0.00 H new ATOM 0 HB2 LYS A 570 -0.527 1.634 13.668 1.00 0.00 H new ATOM 0 HB3 LYS A 570 -0.358 2.406 15.232 1.00 0.00 H new ATOM 0 HG2 LYS A 570 0.052 3.924 12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 570 -1.530 3.737 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 570 -0.999 5.060 15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 570 0.716 4.710 15.115 1.00 0.00 H new ATOM 0 HE2 LYS A 570 -0.673 6.287 12.933 1.00 0.00 H new ATOM 0 HE3 LYS A 570 -0.138 7.076 14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 570 1.537 7.211 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 570 2.117 6.282 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 570 1.598 5.518 12.551 1.00 0.00 H new ATOM 686 N LYS A 577 1.498 -3.933 15.399 1.00 0.00 N ATOM 687 CA LYS A 577 0.139 -4.455 15.483 1.00 0.00 C ATOM 688 C LYS A 577 -0.529 -4.457 14.113 1.00 0.00 C ATOM 689 O LYS A 577 -1.714 -4.149 13.988 1.00 0.00 O ATOM 690 CB LYS A 577 -0.689 -3.623 16.465 1.00 0.00 C ATOM 691 CG LYS A 577 -0.016 -3.425 17.813 1.00 0.00 C ATOM 692 CD LYS A 577 0.108 -4.735 18.572 1.00 0.00 C ATOM 693 CE LYS A 577 -1.113 -4.992 19.442 1.00 0.00 C ATOM 694 NZ LYS A 577 -1.344 -6.447 19.657 1.00 0.00 N ATOM 0 HA LYS A 577 0.193 -5.483 15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 577 -0.890 -2.648 16.022 1.00 0.00 H new ATOM 0 HB3 LYS A 577 -1.653 -4.109 16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 577 0.974 -2.993 17.666 1.00 0.00 H new ATOM 0 HG3 LYS A 577 -0.590 -2.713 18.406 1.00 0.00 H new ATOM 0 HD2 LYS A 577 0.232 -5.556 17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 577 1.002 -4.713 19.195 1.00 0.00 H new ATOM 0 HE2 LYS A 577 -0.983 -4.499 20.405 1.00 0.00 H new ATOM 0 HE3 LYS A 577 -1.992 -4.550 18.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 577 -2.185 -6.580 20.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 577 -1.493 -6.914 18.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 577 -0.515 -6.864 20.127 1.00 0.00 H new ATOM 708 N GLY A 578 0.238 -4.808 13.085 1.00 0.00 N ATOM 709 CA GLY A 578 -0.298 -4.845 11.737 1.00 0.00 C ATOM 710 C GLY A 578 -1.280 -3.720 11.473 1.00 0.00 C ATOM 711 O GLY A 578 -2.410 -3.961 11.047 1.00 0.00 O ATOM 0 H GLY A 578 1.221 -5.067 13.162 1.00 0.00 H new ATOM 0 HA2 GLY A 578 0.522 -4.783 11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 578 -0.793 -5.802 11.572 1.00 0.00 H new ATOM 715 N CYS A 579 -0.849 -2.490 11.727 1.00 0.00 N ATOM 716 CA CYS A 579 -1.699 -1.323 11.516 1.00 0.00 C ATOM 717 C CYS A 579 -0.864 -0.102 11.146 1.00 0.00 C ATOM 718 O CYS A 579 0.270 0.048 11.598 1.00 0.00 O ATOM 719 CB CYS A 579 -2.522 -1.032 12.772 1.00 0.00 C ATOM 720 SG CYS A 579 -1.534 -0.836 14.273 1.00 0.00 S ATOM 0 H CYS A 579 0.084 -2.274 12.079 1.00 0.00 H new ATOM 0 HA CYS A 579 -2.376 -1.541 10.690 1.00 0.00 H new ATOM 0 HB2 CYS A 579 -3.102 -0.123 12.611 1.00 0.00 H new ATOM 0 HB3 CYS A 579 -3.235 -1.843 12.922 1.00 0.00 H new ATOM 0 HG CYS A 579 -0.331 -0.459 13.955 1.00 0.00 H new ATOM 726 N GLY A 580 -1.434 0.770 10.319 1.00 0.00 N ATOM 727 CA GLY A 580 -0.727 1.966 9.900 1.00 0.00 C ATOM 728 C GLY A 580 -1.635 2.963 9.207 1.00 0.00 C ATOM 729 O GLY A 580 -2.841 2.741 9.093 1.00 0.00 O ATOM 0 H GLY A 580 -2.372 0.669 9.932 1.00 0.00 H new ATOM 0 HA2 GLY A 580 -0.271 2.438 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 580 0.084 1.688 9.226 1.00 0.00 H new ATOM 733 N VAL A 581 -1.055 4.065 8.742 1.00 0.00 N ATOM 734 CA VAL A 581 -1.820 5.100 8.057 1.00 0.00 C ATOM 735 C VAL A 581 -1.094 5.583 6.806 1.00 0.00 C ATOM 736 O VAL A 581 0.112 5.381 6.659 1.00 0.00 O ATOM 737 CB VAL A 581 -2.087 6.305 8.979 1.00 0.00 C ATOM 738 CG1 VAL A 581 -3.221 5.997 9.945 1.00 0.00 C ATOM 739 CG2 VAL A 581 -0.823 6.688 9.734 1.00 0.00 C ATOM 0 H VAL A 581 -0.058 4.264 8.827 1.00 0.00 H new ATOM 0 HA VAL A 581 -2.772 4.652 7.772 1.00 0.00 H new ATOM 0 HB VAL A 581 -2.386 7.153 8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 581 -3.395 6.860 10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 581 -4.128 5.775 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 581 -2.954 5.136 10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 581 -1.030 7.541 10.380 1.00 0.00 H new ATOM 0 HG22 VAL A 581 -0.492 5.845 10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 581 -0.041 6.953 9.023 1.00 0.00 H new ATOM 749 N VAL A 582 -1.836 6.222 5.908 1.00 0.00 N ATOM 750 CA VAL A 582 -1.262 6.736 4.669 1.00 0.00 C ATOM 751 C VAL A 582 -1.949 8.027 4.240 1.00 0.00 C ATOM 752 O VAL A 582 -3.177 8.109 4.205 1.00 0.00 O ATOM 753 CB VAL A 582 -1.372 5.705 3.530 1.00 0.00 C ATOM 754 CG1 VAL A 582 -0.843 6.289 2.229 1.00 0.00 C ATOM 755 CG2 VAL A 582 -0.628 4.429 3.893 1.00 0.00 C ATOM 0 H VAL A 582 -2.835 6.396 6.014 1.00 0.00 H new ATOM 0 HA VAL A 582 -0.209 6.937 4.867 1.00 0.00 H new ATOM 0 HB VAL A 582 -2.424 5.457 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 582 -0.929 5.547 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 582 -1.424 7.172 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 582 0.203 6.567 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 582 -0.716 3.712 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 582 0.424 4.657 4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 582 -1.058 4.002 4.799 1.00 0.00 H new ATOM 765 N LYS A 583 -1.149 9.036 3.912 1.00 0.00 N ATOM 766 CA LYS A 583 -1.679 10.325 3.482 1.00 0.00 C ATOM 767 C LYS A 583 -1.375 10.574 2.008 1.00 0.00 C ATOM 768 O LYS A 583 -0.381 10.078 1.477 1.00 0.00 O ATOM 769 CB LYS A 583 -1.088 11.451 4.333 1.00 0.00 C ATOM 770 CG LYS A 583 -1.923 11.792 5.555 1.00 0.00 C ATOM 771 CD LYS A 583 -1.806 10.722 6.627 1.00 0.00 C ATOM 772 CE LYS A 583 -2.287 11.230 7.977 1.00 0.00 C ATOM 773 NZ LYS A 583 -1.327 12.197 8.580 1.00 0.00 N ATOM 0 H LYS A 583 -0.131 8.986 3.936 1.00 0.00 H new ATOM 0 HA LYS A 583 -2.761 10.308 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 583 -0.087 11.164 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 583 -0.981 12.343 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 583 -1.601 12.751 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 583 -2.967 11.904 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 583 -2.390 9.849 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 583 -0.768 10.398 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 583 -3.259 11.709 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 583 -2.427 10.387 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 -1.550 12.325 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 -0.359 11.830 8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 -1.401 13.111 8.090 1.00 0.00 H new ATOM 787 N PHE A 584 -2.236 11.345 1.353 1.00 0.00 N ATOM 788 CA PHE A 584 -2.058 11.660 -0.060 1.00 0.00 C ATOM 789 C PHE A 584 -2.145 13.165 -0.296 1.00 0.00 C ATOM 790 O PHE A 584 -2.465 13.929 0.614 1.00 0.00 O ATOM 791 CB PHE A 584 -3.113 10.939 -0.901 1.00 0.00 C ATOM 792 CG PHE A 584 -3.002 9.442 -0.847 1.00 0.00 C ATOM 793 CD1 PHE A 584 -3.679 8.718 0.121 1.00 0.00 C ATOM 794 CD2 PHE A 584 -2.220 8.759 -1.765 1.00 0.00 C ATOM 795 CE1 PHE A 584 -3.578 7.341 0.173 1.00 0.00 C ATOM 796 CE2 PHE A 584 -2.115 7.381 -1.718 1.00 0.00 C ATOM 797 CZ PHE A 584 -2.796 6.671 -0.748 1.00 0.00 C ATOM 0 H PHE A 584 -3.064 11.763 1.777 1.00 0.00 H new ATOM 0 HA PHE A 584 -1.068 11.319 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 584 -4.104 11.234 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 584 -3.025 11.265 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 584 -4.293 9.236 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 584 -1.686 9.309 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 584 -4.110 6.789 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 584 -1.502 6.861 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 584 -2.717 5.595 -0.710 1.00 0.00 H new ATOM 807 N GLU A 585 -1.856 13.583 -1.525 1.00 0.00 N ATOM 808 CA GLU A 585 -1.900 14.996 -1.881 1.00 0.00 C ATOM 809 C GLU A 585 -3.342 15.483 -1.998 1.00 0.00 C ATOM 810 O GLU A 585 -3.695 16.541 -1.476 1.00 0.00 O ATOM 811 CB GLU A 585 -1.161 15.236 -3.199 1.00 0.00 C ATOM 812 CG GLU A 585 0.337 15.427 -3.030 1.00 0.00 C ATOM 813 CD GLU A 585 0.716 16.874 -2.779 1.00 0.00 C ATOM 814 OE1 GLU A 585 0.344 17.407 -1.713 1.00 0.00 O ATOM 815 OE2 GLU A 585 1.385 17.472 -3.647 1.00 0.00 O ATOM 0 H GLU A 585 -1.589 12.963 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 585 -1.407 15.559 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 585 -1.338 14.391 -3.864 1.00 0.00 H new ATOM 0 HB3 GLU A 585 -1.579 16.118 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 585 0.686 14.814 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 585 0.848 15.071 -3.925 1.00 0.00 H new ATOM 822 N SER A 586 -4.169 14.704 -2.686 1.00 0.00 N ATOM 823 CA SER A 586 -5.571 15.057 -2.876 1.00 0.00 C ATOM 824 C SER A 586 -6.482 14.086 -2.131 1.00 0.00 C ATOM 825 O SER A 586 -6.091 12.972 -1.782 1.00 0.00 O ATOM 826 CB SER A 586 -5.921 15.062 -4.365 1.00 0.00 C ATOM 827 OG SER A 586 -5.656 16.327 -4.947 1.00 0.00 O ATOM 0 H SER A 586 -3.893 13.824 -3.121 1.00 0.00 H new ATOM 0 HA SER A 586 -5.726 16.057 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 586 -5.345 14.293 -4.880 1.00 0.00 H new ATOM 0 HB3 SER A 586 -6.974 14.812 -4.495 1.00 0.00 H new ATOM 0 HG SER A 586 -5.886 16.304 -5.899 1.00 0.00 H new ATOM 833 N PRO A 587 -7.728 14.516 -1.882 1.00 0.00 N ATOM 834 CA PRO A 587 -8.721 13.701 -1.177 1.00 0.00 C ATOM 835 C PRO A 587 -9.193 12.514 -2.010 1.00 0.00 C ATOM 836 O PRO A 587 -9.394 11.418 -1.487 1.00 0.00 O ATOM 837 CB PRO A 587 -9.875 14.677 -0.935 1.00 0.00 C ATOM 838 CG PRO A 587 -9.738 15.699 -2.011 1.00 0.00 C ATOM 839 CD PRO A 587 -8.262 15.833 -2.269 1.00 0.00 C ATOM 0 HA PRO A 587 -8.316 13.265 -0.264 1.00 0.00 H new ATOM 0 HB2 PRO A 587 -10.839 14.172 -0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 587 -9.809 15.131 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 587 -10.265 15.389 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 587 -10.168 16.652 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 587 -8.056 16.059 -3.315 1.00 0.00 H new ATOM 0 HD3 PRO A 587 -7.822 16.635 -1.677 1.00 0.00 H new ATOM 847 N GLU A 588 -9.368 12.740 -3.308 1.00 0.00 N ATOM 848 CA GLU A 588 -9.817 11.688 -4.212 1.00 0.00 C ATOM 849 C GLU A 588 -8.851 10.506 -4.195 1.00 0.00 C ATOM 850 O GLU A 588 -9.269 9.349 -4.174 1.00 0.00 O ATOM 851 CB GLU A 588 -9.950 12.231 -5.637 1.00 0.00 C ATOM 852 CG GLU A 588 -10.288 11.165 -6.666 1.00 0.00 C ATOM 853 CD GLU A 588 -10.371 11.720 -8.074 1.00 0.00 C ATOM 854 OE1 GLU A 588 -10.847 12.864 -8.234 1.00 0.00 O ATOM 855 OE2 GLU A 588 -9.961 11.011 -9.017 1.00 0.00 O ATOM 0 H GLU A 588 -9.206 13.641 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 588 -10.793 11.343 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 588 -10.724 12.998 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 588 -9.015 12.715 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 588 -9.532 10.380 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 588 -11.240 10.702 -6.405 1.00 0.00 H new ATOM 862 N VAL A 589 -7.556 10.808 -4.204 1.00 0.00 N ATOM 863 CA VAL A 589 -6.530 9.772 -4.189 1.00 0.00 C ATOM 864 C VAL A 589 -6.569 8.980 -2.887 1.00 0.00 C ATOM 865 O VAL A 589 -6.314 7.776 -2.873 1.00 0.00 O ATOM 866 CB VAL A 589 -5.124 10.373 -4.370 1.00 0.00 C ATOM 867 CG1 VAL A 589 -4.064 9.285 -4.291 1.00 0.00 C ATOM 868 CG2 VAL A 589 -5.032 11.124 -5.689 1.00 0.00 C ATOM 0 H VAL A 589 -7.193 11.761 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 589 -6.741 9.104 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 589 -4.944 11.082 -3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 589 -3.077 9.729 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 589 -4.117 8.796 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 589 -4.238 8.550 -5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 589 -4.032 11.542 -5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 589 -5.233 10.439 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 589 -5.766 11.930 -5.701 1.00 0.00 H new ATOM 878 N ALA A 590 -6.889 9.664 -1.793 1.00 0.00 N ATOM 879 CA ALA A 590 -6.964 9.023 -0.486 1.00 0.00 C ATOM 880 C ALA A 590 -8.011 7.915 -0.477 1.00 0.00 C ATOM 881 O ALA A 590 -7.694 6.751 -0.234 1.00 0.00 O ATOM 882 CB ALA A 590 -7.273 10.054 0.590 1.00 0.00 C ATOM 0 H ALA A 590 -7.100 10.662 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 590 -5.995 8.572 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 590 -7.326 9.562 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 590 -6.486 10.808 0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 590 -8.228 10.532 0.373 1.00 0.00 H new ATOM 888 N GLU A 591 -9.260 8.285 -0.741 1.00 0.00 N ATOM 889 CA GLU A 591 -10.354 7.321 -0.761 1.00 0.00 C ATOM 890 C GLU A 591 -10.180 6.325 -1.904 1.00 0.00 C ATOM 891 O GLU A 591 -10.691 5.206 -1.849 1.00 0.00 O ATOM 892 CB GLU A 591 -11.697 8.042 -0.898 1.00 0.00 C ATOM 893 CG GLU A 591 -12.133 8.246 -2.339 1.00 0.00 C ATOM 894 CD GLU A 591 -13.146 9.365 -2.489 1.00 0.00 C ATOM 895 OE1 GLU A 591 -12.830 10.507 -2.097 1.00 0.00 O ATOM 896 OE2 GLU A 591 -14.255 9.098 -2.998 1.00 0.00 O ATOM 0 H GLU A 591 -9.539 9.245 -0.944 1.00 0.00 H new ATOM 0 HA GLU A 591 -10.339 6.773 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -12.462 7.470 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -11.631 9.013 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -11.259 8.468 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -12.562 7.319 -2.720 1.00 0.00 H new ATOM 903 N ARG A 592 -9.456 6.740 -2.938 1.00 0.00 N ATOM 904 CA ARG A 592 -9.216 5.885 -4.095 1.00 0.00 C ATOM 905 C ARG A 592 -8.380 4.669 -3.708 1.00 0.00 C ATOM 906 O ARG A 592 -8.682 3.544 -4.106 1.00 0.00 O ATOM 907 CB ARG A 592 -8.508 6.673 -5.199 1.00 0.00 C ATOM 908 CG ARG A 592 -8.064 5.813 -6.371 1.00 0.00 C ATOM 909 CD ARG A 592 -7.026 6.527 -7.223 1.00 0.00 C ATOM 910 NE ARG A 592 -7.638 7.470 -8.156 1.00 0.00 N ATOM 911 CZ ARG A 592 -7.002 7.989 -9.200 1.00 0.00 C ATOM 912 NH1 ARG A 592 -5.741 7.658 -9.443 1.00 0.00 N ATOM 913 NH2 ARG A 592 -7.626 8.840 -10.003 1.00 0.00 N ATOM 0 H ARG A 592 -9.025 7.663 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 592 -10.181 5.538 -4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 592 -9.177 7.452 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 592 -7.637 7.173 -4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 592 -7.650 4.876 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 592 -8.928 5.558 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 592 -6.329 7.059 -6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 592 -6.446 5.791 -7.780 1.00 0.00 H new ATOM 0 HE ARG A 592 -8.607 7.745 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 592 -5.258 7.004 -8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 592 -5.254 8.058 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 592 -8.596 9.097 -9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 592 -7.136 9.238 -10.804 1.00 0.00 H new ATOM 927 N ALA A 593 -7.329 4.903 -2.929 1.00 0.00 N ATOM 928 CA ALA A 593 -6.450 3.826 -2.488 1.00 0.00 C ATOM 929 C ALA A 593 -7.196 2.841 -1.594 1.00 0.00 C ATOM 930 O ALA A 593 -6.829 1.669 -1.504 1.00 0.00 O ATOM 931 CB ALA A 593 -5.244 4.396 -1.756 1.00 0.00 C ATOM 0 H ALA A 593 -7.065 5.828 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 593 -6.105 3.287 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 593 -4.596 3.581 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 593 -4.691 5.056 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 593 -5.580 4.960 -0.886 1.00 0.00 H new ATOM 937 N CYS A 594 -8.244 3.323 -0.936 1.00 0.00 N ATOM 938 CA CYS A 594 -9.041 2.485 -0.048 1.00 0.00 C ATOM 939 C CYS A 594 -9.760 1.391 -0.832 1.00 0.00 C ATOM 940 O CYS A 594 -9.642 0.207 -0.515 1.00 0.00 O ATOM 941 CB CYS A 594 -10.059 3.335 0.714 1.00 0.00 C ATOM 942 SG CYS A 594 -9.320 4.506 1.877 1.00 0.00 S ATOM 0 H CYS A 594 -8.562 4.290 -1.001 1.00 0.00 H new ATOM 0 HA CYS A 594 -8.366 2.012 0.666 1.00 0.00 H new ATOM 0 HB2 CYS A 594 -10.666 3.887 -0.004 1.00 0.00 H new ATOM 0 HB3 CYS A 594 -10.733 2.674 1.259 1.00 0.00 H new ATOM 0 HG CYS A 594 -10.209 4.866 2.754 1.00 0.00 H new ATOM 948 N ARG A 595 -10.505 1.796 -1.855 1.00 0.00 N ATOM 949 CA ARG A 595 -11.245 0.851 -2.682 1.00 0.00 C ATOM 950 C ARG A 595 -10.300 -0.147 -3.345 1.00 0.00 C ATOM 951 O ARG A 595 -10.548 -1.352 -3.336 1.00 0.00 O ATOM 952 CB ARG A 595 -12.048 1.596 -3.750 1.00 0.00 C ATOM 953 CG ARG A 595 -13.280 2.299 -3.205 1.00 0.00 C ATOM 954 CD ARG A 595 -13.914 3.204 -4.251 1.00 0.00 C ATOM 955 NE ARG A 595 -14.804 2.468 -5.144 1.00 0.00 N ATOM 956 CZ ARG A 595 -14.384 1.793 -6.208 1.00 0.00 C ATOM 957 NH1 ARG A 595 -13.093 1.761 -6.510 1.00 0.00 N ATOM 958 NH2 ARG A 595 -15.255 1.148 -6.973 1.00 0.00 N ATOM 0 H ARG A 595 -10.612 2.772 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 595 -11.932 0.302 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 595 -11.403 2.332 -4.230 1.00 0.00 H new ATOM 0 HB3 ARG A 595 -12.355 0.889 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 595 -14.007 1.557 -2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 595 -13.007 2.888 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 595 -14.474 3.996 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 595 -13.131 3.686 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 595 -15.803 2.472 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 595 -12.420 2.256 -5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 595 -12.773 1.242 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 595 -16.249 1.170 -6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 595 -14.931 0.630 -7.790 1.00 0.00 H new ATOM 972 N MET A 596 -9.216 0.364 -3.921 1.00 0.00 N ATOM 973 CA MET A 596 -8.234 -0.482 -4.588 1.00 0.00 C ATOM 974 C MET A 596 -7.552 -1.413 -3.590 1.00 0.00 C ATOM 975 O MET A 596 -7.515 -2.628 -3.787 1.00 0.00 O ATOM 976 CB MET A 596 -7.187 0.377 -5.299 1.00 0.00 C ATOM 977 CG MET A 596 -7.752 1.199 -6.446 1.00 0.00 C ATOM 978 SD MET A 596 -6.545 1.488 -7.754 1.00 0.00 S ATOM 979 CE MET A 596 -5.869 3.067 -7.247 1.00 0.00 C ATOM 0 H MET A 596 -8.996 1.360 -3.939 1.00 0.00 H new ATOM 0 HA MET A 596 -8.757 -1.089 -5.327 1.00 0.00 H new ATOM 0 HB2 MET A 596 -6.727 1.048 -4.574 1.00 0.00 H new ATOM 0 HB3 MET A 596 -6.397 -0.270 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 596 -8.618 0.686 -6.863 1.00 0.00 H new ATOM 0 HG3 MET A 596 -8.103 2.157 -6.063 1.00 0.00 H new ATOM 0 HE1 MET A 596 -4.801 3.091 -7.461 1.00 0.00 H new ATOM 0 HE2 MET A 596 -6.367 3.868 -7.793 1.00 0.00 H new ATOM 0 HE3 MET A 596 -6.028 3.204 -6.177 1.00 0.00 H new ATOM 989 N MET A 597 -7.015 -0.836 -2.521 1.00 0.00 N ATOM 990 CA MET A 597 -6.335 -1.616 -1.493 1.00 0.00 C ATOM 991 C MET A 597 -7.328 -2.475 -0.717 1.00 0.00 C ATOM 992 O MET A 597 -7.332 -3.700 -0.840 1.00 0.00 O ATOM 993 CB MET A 597 -5.585 -0.690 -0.533 1.00 0.00 C ATOM 994 CG MET A 597 -4.431 0.055 -1.184 1.00 0.00 C ATOM 995 SD MET A 597 -3.352 -1.032 -2.135 1.00 0.00 S ATOM 996 CE MET A 597 -1.793 -0.159 -2.004 1.00 0.00 C ATOM 0 H MET A 597 -7.037 0.168 -2.343 1.00 0.00 H new ATOM 0 HA MET A 597 -5.619 -2.274 -1.985 1.00 0.00 H new ATOM 0 HB2 MET A 597 -6.286 0.034 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 597 -5.203 -1.278 0.301 1.00 0.00 H new ATOM 0 HG2 MET A 597 -4.828 0.831 -1.839 1.00 0.00 H new ATOM 0 HG3 MET A 597 -3.847 0.557 -0.413 1.00 0.00 H new ATOM 0 HE1 MET A 597 -1.201 -0.334 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 597 -1.982 0.909 -1.896 1.00 0.00 H new ATOM 0 HE3 MET A 597 -1.246 -0.520 -1.133 1.00 0.00 H new ATOM 1006 N ASN A 598 -8.169 -1.826 0.082 1.00 0.00 N ATOM 1007 CA ASN A 598 -9.166 -2.532 0.878 1.00 0.00 C ATOM 1008 C ASN A 598 -9.678 -3.765 0.140 1.00 0.00 C ATOM 1009 O ASN A 598 -10.582 -3.674 -0.690 1.00 0.00 O ATOM 1010 CB ASN A 598 -10.334 -1.601 1.212 1.00 0.00 C ATOM 1011 CG ASN A 598 -11.237 -2.170 2.289 1.00 0.00 C ATOM 1012 OD1 ASN A 598 -11.330 -1.624 3.389 1.00 0.00 O ATOM 1013 ND2 ASN A 598 -11.906 -3.274 1.978 1.00 0.00 N ATOM 0 H ASN A 598 -8.180 -0.812 0.195 1.00 0.00 H new ATOM 0 HA ASN A 598 -8.692 -2.856 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 598 -9.945 -0.637 1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 598 -10.919 -1.418 0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 598 -12.528 -3.704 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 598 -11.798 -3.692 1.054 1.00 0.00 H new ATOM 1020 N GLY A 599 -9.094 -4.918 0.449 1.00 0.00 N ATOM 1021 CA GLY A 599 -9.504 -6.154 -0.193 1.00 0.00 C ATOM 1022 C GLY A 599 -8.330 -6.938 -0.745 1.00 0.00 C ATOM 1023 O GLY A 599 -8.512 -7.974 -1.382 1.00 0.00 O ATOM 0 H GLY A 599 -8.344 -5.019 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 599 -10.044 -6.771 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 599 -10.198 -5.927 -1.002 1.00 0.00 H new ATOM 1027 N MET A 600 -7.122 -6.441 -0.501 1.00 0.00 N ATOM 1028 CA MET A 600 -5.913 -7.103 -0.979 1.00 0.00 C ATOM 1029 C MET A 600 -5.272 -7.931 0.130 1.00 0.00 C ATOM 1030 O MET A 600 -4.989 -7.422 1.215 1.00 0.00 O ATOM 1031 CB MET A 600 -4.914 -6.070 -1.503 1.00 0.00 C ATOM 1032 CG MET A 600 -4.192 -5.310 -0.402 1.00 0.00 C ATOM 1033 SD MET A 600 -3.048 -4.074 -1.046 1.00 0.00 S ATOM 1034 CE MET A 600 -2.219 -3.564 0.457 1.00 0.00 C ATOM 0 H MET A 600 -6.954 -5.583 0.024 1.00 0.00 H new ATOM 0 HA MET A 600 -6.192 -7.773 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 600 -4.177 -6.574 -2.129 1.00 0.00 H new ATOM 0 HB3 MET A 600 -5.440 -5.359 -2.140 1.00 0.00 H new ATOM 0 HG2 MET A 600 -4.926 -4.821 0.238 1.00 0.00 H new ATOM 0 HG3 MET A 600 -3.644 -6.016 0.222 1.00 0.00 H new ATOM 0 HE1 MET A 600 -1.185 -3.304 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 600 -2.728 -2.697 0.877 1.00 0.00 H new ATOM 0 HE3 MET A 600 -2.239 -4.381 1.179 1.00 0.00 H new ATOM 1044 N LYS A 601 -5.045 -9.211 -0.149 1.00 0.00 N ATOM 1045 CA LYS A 601 -4.437 -10.110 0.824 1.00 0.00 C ATOM 1046 C LYS A 601 -2.918 -10.115 0.685 1.00 0.00 C ATOM 1047 O LYS A 601 -2.370 -10.720 -0.238 1.00 0.00 O ATOM 1048 CB LYS A 601 -4.980 -11.530 0.647 1.00 0.00 C ATOM 1049 CG LYS A 601 -6.428 -11.685 1.078 1.00 0.00 C ATOM 1050 CD LYS A 601 -6.837 -13.147 1.143 1.00 0.00 C ATOM 1051 CE LYS A 601 -8.075 -13.342 2.005 1.00 0.00 C ATOM 1052 NZ LYS A 601 -9.329 -13.145 1.227 1.00 0.00 N ATOM 0 H LYS A 601 -5.273 -9.648 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 601 -4.692 -9.752 1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 601 -4.889 -11.817 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 601 -4.363 -12.220 1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 601 -6.569 -11.223 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 601 -7.075 -11.156 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 601 -7.032 -13.517 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 601 -6.015 -13.738 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 601 -8.066 -14.345 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 601 -8.051 -12.641 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 601 -10.150 -13.287 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 601 -9.350 -12.180 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 601 -9.365 -13.831 0.446 1.00 0.00 H new ATOM 1066 N LEU A 602 -2.242 -9.438 1.607 1.00 0.00 N ATOM 1067 CA LEU A 602 -0.785 -9.365 1.588 1.00 0.00 C ATOM 1068 C LEU A 602 -0.169 -10.626 2.186 1.00 0.00 C ATOM 1069 O LEU A 602 -0.244 -10.853 3.393 1.00 0.00 O ATOM 1070 CB LEU A 602 -0.306 -8.135 2.360 1.00 0.00 C ATOM 1071 CG LEU A 602 -0.968 -6.808 1.986 1.00 0.00 C ATOM 1072 CD1 LEU A 602 -0.454 -5.686 2.874 1.00 0.00 C ATOM 1073 CD2 LEU A 602 -0.724 -6.485 0.519 1.00 0.00 C ATOM 0 H LEU A 602 -2.679 -8.932 2.377 1.00 0.00 H new ATOM 0 HA LEU A 602 -0.464 -9.283 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 602 -0.468 -8.312 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 602 0.770 -8.035 2.214 1.00 0.00 H new ATOM 0 HG LEU A 602 -2.043 -6.903 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 602 -0.936 -4.750 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 602 -0.681 -5.913 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 602 0.625 -5.590 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 602 -1.202 -5.538 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 602 0.348 -6.409 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 602 -1.143 -7.277 -0.102 1.00 0.00 H new ATOM 1085 N SER A 603 0.442 -11.442 1.333 1.00 0.00 N ATOM 1086 CA SER A 603 1.069 -12.681 1.776 1.00 0.00 C ATOM 1087 C SER A 603 0.055 -13.588 2.466 1.00 0.00 C ATOM 1088 O SER A 603 0.412 -14.410 3.309 1.00 0.00 O ATOM 1089 CB SER A 603 2.229 -12.378 2.727 1.00 0.00 C ATOM 1090 OG SER A 603 3.236 -13.371 2.636 1.00 0.00 O ATOM 0 H SER A 603 0.516 -11.267 0.331 1.00 0.00 H new ATOM 0 HA SER A 603 1.454 -13.199 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 603 2.653 -11.403 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 603 1.859 -12.323 3.751 1.00 0.00 H new ATOM 0 HG SER A 603 3.966 -13.154 3.252 1.00 0.00 H new ATOM 1096 N GLY A 604 -1.214 -13.432 2.100 1.00 0.00 N ATOM 1097 CA GLY A 604 -2.262 -14.242 2.693 1.00 0.00 C ATOM 1098 C GLY A 604 -2.897 -13.578 3.899 1.00 0.00 C ATOM 1099 O GLY A 604 -3.353 -14.255 4.820 1.00 0.00 O ATOM 0 H GLY A 604 -1.535 -12.759 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 604 -3.030 -14.441 1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 604 -1.848 -15.206 2.989 1.00 0.00 H new ATOM 1103 N ARG A 605 -2.924 -12.249 3.894 1.00 0.00 N ATOM 1104 CA ARG A 605 -3.505 -11.494 4.998 1.00 0.00 C ATOM 1105 C ARG A 605 -4.417 -10.386 4.478 1.00 0.00 C ATOM 1106 O ARG A 605 -3.956 -9.432 3.853 1.00 0.00 O ATOM 1107 CB ARG A 605 -2.400 -10.892 5.869 1.00 0.00 C ATOM 1108 CG ARG A 605 -1.691 -11.913 6.744 1.00 0.00 C ATOM 1109 CD ARG A 605 -1.181 -11.284 8.032 1.00 0.00 C ATOM 1110 NE ARG A 605 -0.738 -12.289 8.994 1.00 0.00 N ATOM 1111 CZ ARG A 605 0.412 -12.946 8.893 1.00 0.00 C ATOM 1112 NH1 ARG A 605 1.231 -12.705 7.879 1.00 0.00 N ATOM 1113 NH2 ARG A 605 0.745 -13.847 9.809 1.00 0.00 N ATOM 0 H ARG A 605 -2.551 -11.674 3.139 1.00 0.00 H new ATOM 0 HA ARG A 605 -4.101 -12.180 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -1.667 -10.405 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -2.831 -10.118 6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.375 -12.728 6.982 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -0.856 -12.348 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.354 -10.611 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.971 -10.679 8.477 1.00 0.00 H new ATOM 0 HE ARG A 605 -1.345 -12.498 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 605 0.979 -12.013 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 605 2.113 -13.211 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 605 0.118 -14.035 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 605 1.628 -14.351 9.731 1.00 0.00 H new ATOM 1127 N GLU A 606 -5.713 -10.522 4.741 1.00 0.00 N ATOM 1128 CA GLU A 606 -6.689 -9.534 4.299 1.00 0.00 C ATOM 1129 C GLU A 606 -6.615 -8.274 5.157 1.00 0.00 C ATOM 1130 O GLU A 606 -6.355 -8.343 6.358 1.00 0.00 O ATOM 1131 CB GLU A 606 -8.102 -10.119 4.353 1.00 0.00 C ATOM 1132 CG GLU A 606 -9.024 -9.587 3.269 1.00 0.00 C ATOM 1133 CD GLU A 606 -10.476 -9.552 3.704 1.00 0.00 C ATOM 1134 OE1 GLU A 606 -10.925 -10.520 4.352 1.00 0.00 O ATOM 1135 OE2 GLU A 606 -11.163 -8.556 3.395 1.00 0.00 O ATOM 0 H GLU A 606 -6.111 -11.306 5.258 1.00 0.00 H new ATOM 0 HA GLU A 606 -6.454 -9.266 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 606 -8.040 -11.204 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 606 -8.539 -9.902 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 606 -8.708 -8.582 2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 606 -8.930 -10.210 2.379 1.00 0.00 H new ATOM 1142 N ILE A 607 -6.845 -7.125 4.531 1.00 0.00 N ATOM 1143 CA ILE A 607 -6.806 -5.850 5.236 1.00 0.00 C ATOM 1144 C ILE A 607 -8.039 -5.010 4.924 1.00 0.00 C ATOM 1145 O ILE A 607 -8.672 -5.182 3.882 1.00 0.00 O ATOM 1146 CB ILE A 607 -5.544 -5.044 4.873 1.00 0.00 C ATOM 1147 CG1 ILE A 607 -5.248 -5.166 3.377 1.00 0.00 C ATOM 1148 CG2 ILE A 607 -4.356 -5.522 5.694 1.00 0.00 C ATOM 1149 CD1 ILE A 607 -3.922 -4.563 2.972 1.00 0.00 C ATOM 0 H ILE A 607 -7.060 -7.051 3.537 1.00 0.00 H new ATOM 0 HA ILE A 607 -6.787 -6.080 6.301 1.00 0.00 H new ATOM 0 HB ILE A 607 -5.722 -3.994 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 607 -5.259 -6.219 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 607 -6.046 -4.679 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 607 -3.472 -4.943 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 607 -4.569 -5.389 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 607 -4.174 -6.577 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 607 -3.779 -4.686 1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 607 -3.914 -3.502 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 607 -3.115 -5.066 3.505 1.00 0.00 H new ATOM 1161 N ASP A 608 -8.374 -4.100 5.832 1.00 0.00 N ATOM 1162 CA ASP A 608 -9.531 -3.230 5.652 1.00 0.00 C ATOM 1163 C ASP A 608 -9.109 -1.764 5.627 1.00 0.00 C ATOM 1164 O ASP A 608 -8.919 -1.144 6.674 1.00 0.00 O ATOM 1165 CB ASP A 608 -10.549 -3.462 6.770 1.00 0.00 C ATOM 1166 CG ASP A 608 -11.522 -4.578 6.444 1.00 0.00 C ATOM 1167 OD1 ASP A 608 -11.940 -4.677 5.271 1.00 0.00 O ATOM 1168 OD2 ASP A 608 -11.865 -5.352 7.361 1.00 0.00 O ATOM 0 H ASP A 608 -7.861 -3.945 6.700 1.00 0.00 H new ATOM 0 HA ASP A 608 -9.993 -3.473 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 608 -10.022 -3.702 7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 608 -11.104 -2.541 6.949 1.00 0.00 H new ATOM 1173 N VAL A 609 -8.964 -1.216 4.425 1.00 0.00 N ATOM 1174 CA VAL A 609 -8.565 0.177 4.264 1.00 0.00 C ATOM 1175 C VAL A 609 -9.782 1.088 4.149 1.00 0.00 C ATOM 1176 O VAL A 609 -10.629 0.902 3.274 1.00 0.00 O ATOM 1177 CB VAL A 609 -7.677 0.366 3.020 1.00 0.00 C ATOM 1178 CG1 VAL A 609 -6.991 1.724 3.054 1.00 0.00 C ATOM 1179 CG2 VAL A 609 -6.653 -0.755 2.921 1.00 0.00 C ATOM 0 H VAL A 609 -9.117 -1.715 3.549 1.00 0.00 H new ATOM 0 HA VAL A 609 -7.995 0.448 5.153 1.00 0.00 H new ATOM 0 HB VAL A 609 -8.311 0.328 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 609 -6.368 1.839 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 609 -7.744 2.512 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 609 -6.369 1.795 3.946 1.00 0.00 H new ATOM 0 HG21 VAL A 609 -6.034 -0.605 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 609 -6.022 -0.751 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 609 -7.168 -1.713 2.846 1.00 0.00 H new ATOM 1189 N ARG A 610 -9.863 2.073 5.037 1.00 0.00 N ATOM 1190 CA ARG A 610 -10.978 3.013 5.036 1.00 0.00 C ATOM 1191 C ARG A 610 -10.490 4.435 5.300 1.00 0.00 C ATOM 1192 O ARG A 610 -9.390 4.638 5.815 1.00 0.00 O ATOM 1193 CB ARG A 610 -12.012 2.613 6.089 1.00 0.00 C ATOM 1194 CG ARG A 610 -12.698 1.289 5.796 1.00 0.00 C ATOM 1195 CD ARG A 610 -11.937 0.120 6.402 1.00 0.00 C ATOM 1196 NE ARG A 610 -12.391 -0.186 7.756 1.00 0.00 N ATOM 1197 CZ ARG A 610 -13.556 -0.764 8.028 1.00 0.00 C ATOM 1198 NH1 ARG A 610 -14.379 -1.098 7.044 1.00 0.00 N ATOM 1199 NH2 ARG A 610 -13.898 -1.011 9.286 1.00 0.00 N ATOM 0 H ARG A 610 -9.170 2.241 5.766 1.00 0.00 H new ATOM 0 HA ARG A 610 -11.444 2.984 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 610 -11.523 2.552 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 610 -12.767 3.396 6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 610 -13.713 1.308 6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 610 -12.780 1.151 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 610 -12.061 -0.760 5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 610 -10.872 0.351 6.420 1.00 0.00 H new ATOM 0 HE ARG A 610 -11.780 0.057 8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 610 -14.118 -0.911 6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 610 -15.273 -1.542 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 610 -13.266 -0.757 10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 610 -14.793 -1.455 9.494 1.00 0.00 H new ATOM 1213 N ILE A 611 -11.316 5.413 4.944 1.00 0.00 N ATOM 1214 CA ILE A 611 -10.969 6.815 5.144 1.00 0.00 C ATOM 1215 C ILE A 611 -11.077 7.204 6.615 1.00 0.00 C ATOM 1216 O ILE A 611 -12.162 7.182 7.195 1.00 0.00 O ATOM 1217 CB ILE A 611 -11.873 7.743 4.312 1.00 0.00 C ATOM 1218 CG1 ILE A 611 -11.600 7.552 2.818 1.00 0.00 C ATOM 1219 CG2 ILE A 611 -11.656 9.194 4.714 1.00 0.00 C ATOM 1220 CD1 ILE A 611 -10.325 8.215 2.347 1.00 0.00 C ATOM 0 H ILE A 611 -12.229 5.261 4.516 1.00 0.00 H new ATOM 0 HA ILE A 611 -9.937 6.935 4.814 1.00 0.00 H new ATOM 0 HB ILE A 611 -12.913 7.484 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -11.547 6.485 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -12.439 7.952 2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -12.302 9.838 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -11.896 9.319 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -10.615 9.467 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -10.196 8.038 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -10.382 9.287 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -9.476 7.798 2.889 1.00 0.00 H new ATOM 1232 N ASP A 612 -9.945 7.561 7.211 1.00 0.00 N ATOM 1233 CA ASP A 612 -9.912 7.958 8.614 1.00 0.00 C ATOM 1234 C ASP A 612 -10.261 9.435 8.769 1.00 0.00 C ATOM 1235 O ASP A 612 -9.594 10.168 9.499 1.00 0.00 O ATOM 1236 CB ASP A 612 -8.531 7.683 9.212 1.00 0.00 C ATOM 1237 CG ASP A 612 -8.592 7.386 10.697 1.00 0.00 C ATOM 1238 OD1 ASP A 612 -9.175 6.346 11.071 1.00 0.00 O ATOM 1239 OD2 ASP A 612 -8.057 8.192 11.486 1.00 0.00 O ATOM 0 H ASP A 612 -9.038 7.584 6.745 1.00 0.00 H new ATOM 0 HA ASP A 612 -10.656 7.369 9.150 1.00 0.00 H new ATOM 0 HB2 ASP A 612 -8.076 6.839 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 612 -7.887 8.546 9.043 1.00 0.00 H new