USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 746 hydrogens (6 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 NoAdj-H: B 584 TPO H2 : B 584 TPO N : B 583 ASP C :(H bumps) USER MOD Set 1.1: A 470 THR OG1 : rot 120:sc= 0.277 USER MOD Set 1.2: A 471 LYS NZ :NH3+ -126:sc= -1.11! (180deg=-6.06!) USER MOD Set 2.1: A 462 TYR OH : rot -159:sc= 0.952 USER MOD Set 2.2: A 476 LYS NZ :NH3+ -118:sc= 1.05 (180deg=-1.89) USER MOD Single : A 453 GLN : amide:sc= -0.0485 K(o=-0.049,f=-0.98) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 464 THR OG1 : rot -71:sc= 0.143 USER MOD Single : A 466 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 468 MET CE :methyl -160:sc= -7.51! (180deg=-9.72!) USER MOD Single : A 469 THR OG1 : rot -170:sc= 0.265 USER MOD Single : A 475 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD Single : A 479 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 480 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 488 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 489 THR OG1 : rot 98:sc= -0.379 USER MOD Single : A 491 ASN : amide:sc= -0.0055 X(o=-0.0055,f=-0.0014) USER MOD Single : A 495 GLN :FLIP amide:sc= -1.99 F(o=-5.2!,f=-2) USER MOD Single : A 498 LYS NZ :NH3+ 176:sc= -4.36! (180deg=-4.69!) USER MOD Single : A 501 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 165:sc= -0.726 (180deg=-1.23) USER MOD Single : A 508 ASN : amide:sc= 0.853 K(o=0.85,f=-0.01) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -154:sc= -3.8 (180deg=-4.14!) USER MOD Single : A 512 HIS : no HE2:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 514 SER OG : rot 103:sc= -4.74! USER MOD Single : A 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 589 HIS : no HD1:sc= -4.13 K(o=-4.1,f=-5!) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU B 582 -1.626 -3.470 25.404 1.00 0.00 N ATOM 2 CA GLU B 582 -1.907 -4.224 24.155 1.00 0.00 C ATOM 3 C GLU B 582 -0.804 -4.012 23.124 1.00 0.00 C ATOM 4 O GLU B 582 -0.720 -2.954 22.499 1.00 0.00 O ATOM 5 CB GLU B 582 -3.251 -3.755 23.596 1.00 0.00 C ATOM 6 CG GLU B 582 -4.078 -4.873 22.981 1.00 0.00 C ATOM 7 CD GLU B 582 -5.550 -4.769 23.329 1.00 0.00 C ATOM 8 OE1 GLU B 582 -5.863 -4.439 24.492 1.00 0.00 O ATOM 9 OE2 GLU B 582 -6.389 -5.016 22.439 1.00 0.00 O ATOM 0 HA GLU B 582 -1.945 -5.290 24.380 1.00 0.00 H new ATOM 0 HB2 GLU B 582 -3.825 -3.288 24.396 1.00 0.00 H new ATOM 0 HB3 GLU B 582 -3.074 -2.988 22.842 1.00 0.00 H new ATOM 0 HG2 GLU B 582 -3.962 -4.852 21.897 1.00 0.00 H new ATOM 0 HG3 GLU B 582 -3.695 -5.834 23.324 1.00 0.00 H new ATOM 18 N ASP B 583 0.039 -5.023 22.949 1.00 0.00 N ATOM 19 CA ASP B 583 1.138 -4.948 21.993 1.00 0.00 C ATOM 20 C ASP B 583 0.612 -4.747 20.575 1.00 0.00 C ATOM 21 O ASP B 583 0.429 -5.707 19.828 1.00 0.00 O ATOM 22 CB ASP B 583 1.988 -6.218 22.058 1.00 0.00 C ATOM 23 CG ASP B 583 1.148 -7.478 21.996 1.00 0.00 C ATOM 24 OD1 ASP B 583 0.284 -7.661 22.880 1.00 0.00 O ATOM 25 OD2 ASP B 583 1.355 -8.285 21.065 1.00 0.00 O ATOM 0 H ASP B 583 -0.017 -5.906 23.457 1.00 0.00 H new ATOM 0 HA ASP B 583 1.758 -4.091 22.257 1.00 0.00 H new ATOM 0 HB2 ASP B 583 2.700 -6.218 21.233 1.00 0.00 H new ATOM 0 HB3 ASP B 583 2.569 -6.217 22.980 1.00 0.00 H new HETATM 30 N TPO B 584 0.373 -3.491 20.210 1.00 0.00 N HETATM 31 CA TPO B 584 -0.131 -3.164 18.882 1.00 0.00 C HETATM 32 CB TPO B 584 -0.702 -1.742 18.862 1.00 0.00 C HETATM 33 CG2 TPO B 584 -1.043 -1.245 17.469 1.00 0.00 C HETATM 34 OG1 TPO B 584 -1.881 -1.700 19.670 1.00 0.00 O HETATM 35 P TPO B 584 -1.955 -0.235 20.339 1.00 0.00 P HETATM 36 O1P TPO B 584 -1.047 -0.179 21.506 1.00 0.00 O HETATM 37 O2P TPO B 584 -1.506 0.873 19.260 1.00 0.00 O HETATM 38 O3P TPO B 584 -3.463 0.060 20.817 1.00 0.00 O HETATM 39 C TPO B 584 0.981 -3.284 17.844 1.00 0.00 C HETATM 40 O TPO B 584 1.456 -2.280 17.312 1.00 0.00 O HETATM 0 HG23 TPO B 584 -0.144 -1.244 16.853 1.00 0.00 H new HETATM 0 HG22 TPO B 584 -1.789 -1.902 17.021 1.00 0.00 H new HETATM 0 HG21 TPO B 584 -1.442 -0.232 17.531 1.00 0.00 H new HETATM 0 HB TPO B 584 0.076 -1.086 19.252 1.00 0.00 H new HETATM 0 HA TPO B 584 -0.924 -3.870 18.636 1.00 0.00 H new HETATM 0 H TPO B 584 0.312 -2.805 20.962 1.00 0.00 H new ATOM 47 N ASP B 585 1.398 -4.511 17.552 1.00 0.00 N ATOM 48 CA ASP B 585 2.443 -4.734 16.582 1.00 0.00 C ATOM 49 C ASP B 585 1.863 -4.822 15.172 1.00 0.00 C ATOM 50 O ASP B 585 2.180 -5.738 14.414 1.00 0.00 O ATOM 51 CB ASP B 585 3.185 -6.020 16.927 1.00 0.00 C ATOM 52 CG ASP B 585 2.249 -7.195 17.139 1.00 0.00 C ATOM 53 OD1 ASP B 585 1.584 -7.242 18.196 1.00 0.00 O ATOM 54 OD2 ASP B 585 2.180 -8.068 16.248 1.00 0.00 O ATOM 0 H ASP B 585 1.024 -5.360 17.977 1.00 0.00 H new ATOM 0 HA ASP B 585 3.137 -3.894 16.610 1.00 0.00 H new ATOM 0 HB2 ASP B 585 3.885 -6.258 16.126 1.00 0.00 H new ATOM 0 HB3 ASP B 585 3.776 -5.863 17.830 1.00 0.00 H new ATOM 59 N GLU B 586 1.023 -3.853 14.825 1.00 0.00 N ATOM 60 CA GLU B 586 0.412 -3.795 13.509 1.00 0.00 C ATOM 61 C GLU B 586 1.315 -3.055 12.529 1.00 0.00 C ATOM 62 O GLU B 586 1.309 -3.322 11.329 1.00 0.00 O ATOM 63 CB GLU B 586 -0.953 -3.109 13.584 1.00 0.00 C ATOM 64 CG GLU B 586 -0.880 -1.653 14.013 1.00 0.00 C ATOM 65 CD GLU B 586 -2.247 -1.052 14.272 1.00 0.00 C ATOM 66 OE1 GLU B 586 -3.024 -1.655 15.043 1.00 0.00 O ATOM 67 OE2 GLU B 586 -2.542 0.021 13.705 1.00 0.00 O ATOM 0 H GLU B 586 0.750 -3.092 15.446 1.00 0.00 H new ATOM 0 HA GLU B 586 0.274 -4.816 13.152 1.00 0.00 H new ATOM 0 HB2 GLU B 586 -1.434 -3.168 12.608 1.00 0.00 H new ATOM 0 HB3 GLU B 586 -1.586 -3.654 14.284 1.00 0.00 H new ATOM 0 HG2 GLU B 586 -0.276 -1.574 14.917 1.00 0.00 H new ATOM 0 HG3 GLU B 586 -0.374 -1.075 13.240 1.00 0.00 H new ATOM 74 N ASP B 587 2.066 -2.097 13.059 1.00 0.00 N ATOM 75 CA ASP B 587 2.958 -1.276 12.258 1.00 0.00 C ATOM 76 C ASP B 587 4.311 -1.946 12.022 1.00 0.00 C ATOM 77 O ASP B 587 5.025 -1.605 11.079 1.00 0.00 O ATOM 78 CB ASP B 587 3.143 0.087 12.936 1.00 0.00 C ATOM 79 CG ASP B 587 4.191 0.065 14.035 1.00 0.00 C ATOM 80 OD1 ASP B 587 4.026 -0.714 14.997 1.00 0.00 O ATOM 81 OD2 ASP B 587 5.176 0.826 13.931 1.00 0.00 O ATOM 0 H ASP B 587 2.072 -1.870 14.053 1.00 0.00 H new ATOM 0 HA ASP B 587 2.500 -1.142 11.278 1.00 0.00 H new ATOM 0 HB2 ASP B 587 3.427 0.825 12.185 1.00 0.00 H new ATOM 0 HB3 ASP B 587 2.190 0.410 13.356 1.00 0.00 H new ATOM 86 N ASP B 588 4.672 -2.883 12.891 1.00 0.00 N ATOM 87 CA ASP B 588 5.955 -3.576 12.780 1.00 0.00 C ATOM 88 C ASP B 588 6.183 -4.128 11.377 1.00 0.00 C ATOM 89 O ASP B 588 7.234 -3.909 10.775 1.00 0.00 O ATOM 90 CB ASP B 588 6.056 -4.697 13.822 1.00 0.00 C ATOM 91 CG ASP B 588 5.143 -5.870 13.522 1.00 0.00 C ATOM 92 OD1 ASP B 588 4.059 -5.647 12.944 1.00 0.00 O ATOM 93 OD2 ASP B 588 5.513 -7.013 13.865 1.00 0.00 O ATOM 0 H ASP B 588 4.098 -3.182 13.679 1.00 0.00 H new ATOM 0 HA ASP B 588 6.738 -2.844 12.975 1.00 0.00 H new ATOM 0 HB2 ASP B 588 7.086 -5.049 13.870 1.00 0.00 H new ATOM 0 HB3 ASP B 588 5.810 -4.295 14.805 1.00 0.00 H new ATOM 98 N HIS B 589 5.198 -4.844 10.865 1.00 0.00 N ATOM 99 CA HIS B 589 5.286 -5.429 9.539 1.00 0.00 C ATOM 100 C HIS B 589 4.975 -4.401 8.457 1.00 0.00 C ATOM 101 O HIS B 589 5.398 -4.546 7.311 1.00 0.00 O ATOM 102 CB HIS B 589 4.337 -6.623 9.419 1.00 0.00 C ATOM 103 CG HIS B 589 3.015 -6.432 10.095 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.558 -7.257 11.101 1.00 0.00 N ATOM 105 CD2 HIS B 589 2.042 -5.510 9.896 1.00 0.00 C ATOM 106 CE1 HIS B 589 1.363 -6.852 11.492 1.00 0.00 C ATOM 107 NE2 HIS B 589 1.028 -5.795 10.777 1.00 0.00 N ATOM 0 H HIS B 589 4.322 -5.035 11.351 1.00 0.00 H new ATOM 0 HA HIS B 589 6.310 -5.773 9.394 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.165 -6.830 8.363 1.00 0.00 H new ATOM 0 HB3 HIS B 589 4.824 -7.502 9.841 1.00 0.00 H new ATOM 0 HD2 HIS B 589 2.061 -4.703 9.179 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.763 -7.308 12.265 1.00 0.00 H new ATOM 0 HE2 HIS B 589 0.156 -5.273 10.865 1.00 0.00 H new ATOM 116 N LEU B 590 4.233 -3.363 8.828 1.00 0.00 N ATOM 117 CA LEU B 590 3.862 -2.309 7.888 1.00 0.00 C ATOM 118 C LEU B 590 5.099 -1.707 7.226 1.00 0.00 C ATOM 119 O LEU B 590 5.072 -1.337 6.055 1.00 0.00 O ATOM 120 CB LEU B 590 3.066 -1.217 8.604 1.00 0.00 C ATOM 121 CG LEU B 590 2.803 0.044 7.779 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.766 -0.226 6.699 1.00 0.00 C ATOM 123 CD2 LEU B 590 2.356 1.181 8.684 1.00 0.00 C ATOM 0 H LEU B 590 3.876 -3.228 9.774 1.00 0.00 H new ATOM 0 HA LEU B 590 3.239 -2.752 7.111 1.00 0.00 H new ATOM 0 HB2 LEU B 590 2.109 -1.633 8.917 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.602 -0.934 9.510 1.00 0.00 H new ATOM 0 HG LEU B 590 3.731 0.337 7.289 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.594 0.684 6.124 1.00 0.00 H new ATOM 0 HD12 LEU B 590 2.128 -1.011 6.035 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.832 -0.544 7.163 1.00 0.00 H new ATOM 0 HD21 LEU B 590 2.172 2.073 8.084 1.00 0.00 H new ATOM 0 HD22 LEU B 590 1.440 0.896 9.201 1.00 0.00 H new ATOM 0 HD23 LEU B 590 3.135 1.391 9.417 1.00 0.00 H new ATOM 135 N ILE B 591 6.181 -1.604 7.982 1.00 0.00 N ATOM 136 CA ILE B 591 7.416 -1.052 7.460 1.00 0.00 C ATOM 137 C ILE B 591 8.245 -2.132 6.764 1.00 0.00 C ATOM 138 O ILE B 591 9.000 -1.846 5.833 1.00 0.00 O ATOM 139 CB ILE B 591 8.247 -0.379 8.572 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.459 0.786 9.176 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.584 0.108 8.027 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.194 1.499 10.290 1.00 0.00 C ATOM 0 H ILE B 591 6.226 -1.896 8.958 1.00 0.00 H new ATOM 0 HA ILE B 591 7.148 -0.290 6.728 1.00 0.00 H new ATOM 0 HB ILE B 591 8.448 -1.114 9.352 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.225 1.503 8.389 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.509 0.412 9.559 1.00 0.00 H new ATOM 0 HG21 ILE B 591 10.154 0.579 8.828 1.00 0.00 H new ATOM 0 HG22 ILE B 591 10.146 -0.738 7.632 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.410 0.832 7.231 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.577 2.313 10.671 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.404 0.796 11.096 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.131 1.903 9.907 1.00 0.00 H new ATOM 154 N TYR B 592 8.104 -3.373 7.228 1.00 0.00 N ATOM 155 CA TYR B 592 8.841 -4.499 6.660 1.00 0.00 C ATOM 156 C TYR B 592 8.383 -4.806 5.242 1.00 0.00 C ATOM 157 O TYR B 592 9.203 -5.055 4.360 1.00 0.00 O ATOM 158 CB TYR B 592 8.714 -5.730 7.574 1.00 0.00 C ATOM 159 CG TYR B 592 8.342 -7.009 6.857 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.062 -7.192 6.358 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.271 -8.026 6.672 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.713 -8.346 5.697 1.00 0.00 C ATOM 163 CE2 TYR B 592 8.929 -9.189 6.010 1.00 0.00 C ATOM 164 CZ TYR B 592 7.648 -9.344 5.524 1.00 0.00 C ATOM 165 OH TYR B 592 7.301 -10.500 4.862 1.00 0.00 O ATOM 0 H TYR B 592 7.484 -3.624 7.998 1.00 0.00 H new ATOM 0 HA TYR B 592 9.894 -4.225 6.600 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.661 -5.881 8.092 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.963 -5.524 8.337 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.325 -6.414 6.491 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.275 -7.905 7.051 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.710 -8.470 5.315 1.00 0.00 H new ATOM 0 HE2 TYR B 592 9.660 -9.972 5.874 1.00 0.00 H new ATOM 0 HH TYR B 592 8.075 -11.100 4.825 1.00 0.00 H new ATOM 175 N LEU B 593 7.083 -4.779 5.023 1.00 0.00 N ATOM 176 CA LEU B 593 6.549 -5.050 3.696 1.00 0.00 C ATOM 177 C LEU B 593 6.775 -3.847 2.790 1.00 0.00 C ATOM 178 O LEU B 593 6.796 -3.966 1.568 1.00 0.00 O ATOM 179 CB LEU B 593 5.060 -5.442 3.762 1.00 0.00 C ATOM 180 CG LEU B 593 4.030 -4.321 3.553 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.210 -3.231 4.587 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.111 -3.745 2.145 1.00 0.00 C ATOM 0 H LEU B 593 6.382 -4.575 5.735 1.00 0.00 H new ATOM 0 HA LEU B 593 7.081 -5.902 3.272 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.879 -6.211 3.011 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.873 -5.896 4.735 1.00 0.00 H new ATOM 0 HG LEU B 593 3.038 -4.755 3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.471 -2.447 4.422 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.077 -3.650 5.584 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.212 -2.810 4.501 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.369 -2.955 2.032 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.107 -3.335 1.977 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.916 -4.533 1.418 1.00 0.00 H new ATOM 194 N GLU B 594 6.954 -2.685 3.399 1.00 0.00 N ATOM 195 CA GLU B 594 7.191 -1.472 2.645 1.00 0.00 C ATOM 196 C GLU B 594 8.495 -1.565 1.862 1.00 0.00 C ATOM 197 O GLU B 594 8.635 -0.969 0.795 1.00 0.00 O ATOM 198 CB GLU B 594 7.223 -0.268 3.577 1.00 0.00 C ATOM 199 CG GLU B 594 7.581 1.038 2.885 1.00 0.00 C ATOM 200 CD GLU B 594 7.516 2.231 3.820 1.00 0.00 C ATOM 201 OE1 GLU B 594 7.517 2.021 5.050 1.00 0.00 O ATOM 202 OE2 GLU B 594 7.466 3.374 3.320 1.00 0.00 O ATOM 0 H GLU B 594 6.939 -2.560 4.411 1.00 0.00 H new ATOM 0 HA GLU B 594 6.373 -1.348 1.935 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.247 -0.161 4.050 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.944 -0.456 4.372 1.00 0.00 H new ATOM 0 HG2 GLU B 594 8.586 0.961 2.470 1.00 0.00 H new ATOM 0 HG3 GLU B 594 6.902 1.200 2.048 1.00 0.00 H new ATOM 209 N GLU B 595 9.451 -2.308 2.413 1.00 0.00 N ATOM 210 CA GLU B 595 10.760 -2.469 1.783 1.00 0.00 C ATOM 211 C GLU B 595 10.724 -3.444 0.612 1.00 0.00 C ATOM 212 O GLU B 595 11.406 -3.242 -0.392 1.00 0.00 O ATOM 213 CB GLU B 595 11.806 -2.909 2.814 1.00 0.00 C ATOM 214 CG GLU B 595 11.628 -4.334 3.316 1.00 0.00 C ATOM 215 CD GLU B 595 12.834 -5.209 3.033 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.948 -4.839 3.459 1.00 0.00 O ATOM 217 OE2 GLU B 595 12.663 -6.263 2.386 1.00 0.00 O ATOM 0 H GLU B 595 9.344 -2.809 3.295 1.00 0.00 H new ATOM 0 HA GLU B 595 11.043 -1.495 1.383 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.798 -2.813 2.372 1.00 0.00 H new ATOM 0 HB3 GLU B 595 11.769 -2.229 3.665 1.00 0.00 H new ATOM 0 HG2 GLU B 595 11.441 -4.316 4.390 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.748 -4.773 2.847 1.00 0.00 H new ATOM 224 N ILE B 596 9.932 -4.496 0.738 1.00 0.00 N ATOM 225 CA ILE B 596 9.825 -5.491 -0.331 1.00 0.00 C ATOM 226 C ILE B 596 9.293 -4.868 -1.609 1.00 0.00 C ATOM 227 O ILE B 596 9.562 -5.348 -2.711 1.00 0.00 O ATOM 228 CB ILE B 596 8.927 -6.680 0.061 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.512 -6.206 0.380 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.519 -7.425 1.245 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.442 -7.181 -0.055 1.00 0.00 C ATOM 0 H ILE B 596 9.357 -4.687 1.558 1.00 0.00 H new ATOM 0 HA ILE B 596 10.835 -5.865 -0.498 1.00 0.00 H new ATOM 0 HB ILE B 596 8.875 -7.363 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.426 -6.038 1.454 1.00 0.00 H new ATOM 0 HG13 ILE B 596 7.339 -5.247 -0.107 1.00 0.00 H new ATOM 0 HG21 ILE B 596 8.872 -8.262 1.509 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.508 -7.800 0.981 1.00 0.00 H new ATOM 0 HG23 ILE B 596 9.602 -6.749 2.096 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.460 -6.782 0.202 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.502 -7.330 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.590 -8.134 0.452 1.00 0.00 H new ATOM 243 N LEU B 597 8.535 -3.800 -1.451 1.00 0.00 N ATOM 244 CA LEU B 597 7.951 -3.100 -2.579 1.00 0.00 C ATOM 245 C LEU B 597 8.984 -2.315 -3.356 1.00 0.00 C ATOM 246 O LEU B 597 9.464 -2.745 -4.404 1.00 0.00 O ATOM 247 CB LEU B 597 6.870 -2.146 -2.085 1.00 0.00 C ATOM 248 CG LEU B 597 6.493 -1.033 -3.071 1.00 0.00 C ATOM 249 CD1 LEU B 597 5.942 -1.619 -4.358 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.495 -0.077 -2.439 1.00 0.00 C ATOM 0 H LEU B 597 8.308 -3.395 -0.543 1.00 0.00 H new ATOM 0 HA LEU B 597 7.525 -3.850 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.975 -2.723 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.207 -1.689 -1.154 1.00 0.00 H new ATOM 0 HG LEU B 597 7.394 -0.471 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.681 -0.812 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.696 -2.257 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.053 -2.209 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.239 0.706 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.594 -0.623 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.935 0.373 -1.549 1.00 0.00 H new ATOM 262 N VAL B 598 9.279 -1.141 -2.842 1.00 0.00 N ATOM 263 CA VAL B 598 10.205 -0.244 -3.479 1.00 0.00 C ATOM 264 C VAL B 598 11.066 0.461 -2.447 1.00 0.00 C ATOM 265 O VAL B 598 11.495 1.597 -2.646 1.00 0.00 O ATOM 266 CB VAL B 598 9.451 0.805 -4.317 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.601 0.143 -5.394 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.587 1.673 -3.417 1.00 0.00 C ATOM 0 H VAL B 598 8.882 -0.786 -1.972 1.00 0.00 H new ATOM 0 HA VAL B 598 10.846 -0.835 -4.134 1.00 0.00 H new ATOM 0 HB VAL B 598 10.188 1.436 -4.814 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.081 0.909 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.242 -0.437 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.871 -0.518 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.059 2.411 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL B 598 7.864 1.048 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.218 2.184 -2.690 1.00 0.00 H new ATOM 278 N ARG B 599 11.308 -0.224 -1.343 1.00 0.00 N ATOM 279 CA ARG B 599 12.113 0.332 -0.270 1.00 0.00 C ATOM 280 C ARG B 599 13.081 -0.705 0.289 1.00 0.00 C ATOM 281 O ARG B 599 13.310 -0.768 1.496 1.00 0.00 O ATOM 282 CB ARG B 599 11.219 0.878 0.845 1.00 0.00 C ATOM 283 CG ARG B 599 10.683 2.272 0.564 1.00 0.00 C ATOM 284 CD ARG B 599 10.019 2.875 1.793 1.00 0.00 C ATOM 285 NE ARG B 599 10.577 4.184 2.131 1.00 0.00 N ATOM 286 CZ ARG B 599 11.703 4.356 2.820 1.00 0.00 C ATOM 287 NH1 ARG B 599 12.397 3.308 3.248 1.00 0.00 N ATOM 288 NH2 ARG B 599 12.138 5.581 3.083 1.00 0.00 N ATOM 0 H ARG B 599 10.959 -1.166 -1.166 1.00 0.00 H new ATOM 0 HA ARG B 599 12.699 1.153 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG B 599 10.380 0.198 0.993 1.00 0.00 H new ATOM 0 HB3 ARG B 599 11.784 0.896 1.777 1.00 0.00 H new ATOM 0 HG2 ARG B 599 11.499 2.917 0.237 1.00 0.00 H new ATOM 0 HG3 ARG B 599 9.964 2.228 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG B 599 8.948 2.972 1.615 1.00 0.00 H new ATOM 0 HD3 ARG B 599 10.141 2.199 2.639 1.00 0.00 H new ATOM 0 HE ARG B 599 10.073 5.015 1.820 1.00 0.00 H new ATOM 0 HH11 ARG B 599 12.068 2.363 3.049 1.00 0.00 H new ATOM 0 HH12 ARG B 599 13.259 3.448 3.775 1.00 0.00 H new ATOM 0 HH21 ARG B 599 11.610 6.391 2.757 1.00 0.00 H new ATOM 0 HH22 ARG B 599 13.001 5.713 3.611 1.00 0.00 H new ATOM 302 N VAL B 600 13.646 -1.517 -0.599 1.00 0.00 N ATOM 303 CA VAL B 600 14.591 -2.551 -0.196 1.00 0.00 C ATOM 304 C VAL B 600 15.907 -1.940 0.277 1.00 0.00 C ATOM 305 O VAL B 600 16.654 -2.633 1.000 1.00 0.00 O ATOM 306 CB VAL B 600 14.872 -3.535 -1.349 1.00 0.00 C ATOM 307 CG1 VAL B 600 15.495 -2.810 -2.534 1.00 0.00 C ATOM 308 CG2 VAL B 600 15.768 -4.671 -0.879 1.00 0.00 C ATOM 309 OXT VAL B 600 16.180 -0.776 -0.081 1.00 0.00 O ATOM 0 H VAL B 600 13.465 -1.478 -1.602 1.00 0.00 H new ATOM 0 HA VAL B 600 14.133 -3.096 0.630 1.00 0.00 H new ATOM 0 HB VAL B 600 13.923 -3.963 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL B 600 15.686 -3.522 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL B 600 14.812 -2.038 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL B 600 16.434 -2.350 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL B 600 15.954 -5.354 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL B 600 16.715 -4.264 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL B 600 15.278 -5.209 -0.068 1.00 0.00 H new TER 319 VAL B 600 ATOM 320 N ASP A 451 -18.431 -3.801 -0.173 1.00 0.00 N ATOM 321 CA ASP A 451 -17.335 -4.803 -0.096 1.00 0.00 C ATOM 322 C ASP A 451 -16.239 -4.499 -1.111 1.00 0.00 C ATOM 323 O ASP A 451 -16.454 -3.759 -2.069 1.00 0.00 O ATOM 324 CB ASP A 451 -17.926 -6.190 -0.354 1.00 0.00 C ATOM 325 CG ASP A 451 -18.555 -6.303 -1.728 1.00 0.00 C ATOM 326 OD1 ASP A 451 -19.751 -5.967 -1.863 1.00 0.00 O ATOM 327 OD2 ASP A 451 -17.854 -6.727 -2.671 1.00 0.00 O ATOM 0 HA ASP A 451 -16.883 -4.766 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 451 -17.142 -6.941 -0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 451 -18.677 -6.409 0.405 1.00 0.00 H new ATOM 334 N VAL A 452 -15.062 -5.079 -0.894 1.00 0.00 N ATOM 335 CA VAL A 452 -13.933 -4.873 -1.792 1.00 0.00 C ATOM 336 C VAL A 452 -12.788 -5.824 -1.462 1.00 0.00 C ATOM 337 O VAL A 452 -12.713 -6.360 -0.359 1.00 0.00 O ATOM 338 CB VAL A 452 -13.426 -3.416 -1.734 1.00 0.00 C ATOM 339 CG1 VAL A 452 -12.973 -3.062 -0.326 1.00 0.00 C ATOM 340 CG2 VAL A 452 -12.302 -3.195 -2.735 1.00 0.00 C ATOM 0 H VAL A 452 -14.867 -5.695 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 452 -14.287 -5.080 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 452 -14.251 -2.757 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 452 -12.619 -2.031 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 452 -13.810 -3.172 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 452 -12.165 -3.729 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 452 -11.961 -2.162 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 452 -11.473 -3.865 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 452 -12.666 -3.400 -3.742 1.00 0.00 H new ATOM 350 N GLN A 453 -11.900 -6.036 -2.429 1.00 0.00 N ATOM 351 CA GLN A 453 -10.761 -6.928 -2.239 1.00 0.00 C ATOM 352 C GLN A 453 -9.475 -6.285 -2.748 1.00 0.00 C ATOM 353 O GLN A 453 -9.469 -5.621 -3.785 1.00 0.00 O ATOM 354 CB GLN A 453 -10.992 -8.267 -2.945 1.00 0.00 C ATOM 355 CG GLN A 453 -12.386 -8.429 -3.531 1.00 0.00 C ATOM 356 CD GLN A 453 -12.725 -9.873 -3.841 1.00 0.00 C ATOM 357 OE1 GLN A 453 -12.343 -10.784 -3.105 1.00 0.00 O ATOM 358 NE2 GLN A 453 -13.445 -10.091 -4.935 1.00 0.00 N ATOM 0 H GLN A 453 -11.947 -5.603 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 453 -10.659 -7.111 -1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 453 -10.259 -8.375 -3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 453 -10.812 -9.075 -2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 453 -13.119 -8.030 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 453 -12.463 -7.838 -4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 453 -13.740 -9.306 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 453 -13.703 -11.043 -5.194 1.00 0.00 H new ATOM 367 N VAL A 454 -8.387 -6.487 -2.013 1.00 0.00 N ATOM 368 CA VAL A 454 -7.095 -5.928 -2.392 1.00 0.00 C ATOM 369 C VAL A 454 -6.527 -6.647 -3.600 1.00 0.00 C ATOM 370 O VAL A 454 -6.151 -7.817 -3.522 1.00 0.00 O ATOM 371 CB VAL A 454 -6.094 -5.994 -1.223 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.649 -5.978 -1.713 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.350 -4.839 -0.284 1.00 0.00 C ATOM 0 H VAL A 454 -8.374 -7.033 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 454 -7.256 -4.881 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 454 -6.241 -6.936 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.974 -6.026 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.475 -6.837 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.464 -5.060 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.644 -4.881 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.224 -3.899 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.367 -4.902 0.102 1.00 0.00 H new ATOM 383 N THR A 455 -6.478 -5.944 -4.720 1.00 0.00 N ATOM 384 CA THR A 455 -5.966 -6.527 -5.943 1.00 0.00 C ATOM 385 C THR A 455 -4.962 -5.633 -6.632 1.00 0.00 C ATOM 386 O THR A 455 -4.823 -4.453 -6.314 1.00 0.00 O ATOM 387 CB THR A 455 -7.115 -6.830 -6.887 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.944 -5.692 -7.055 1.00 0.00 O ATOM 389 CG2 THR A 455 -7.973 -7.957 -6.374 1.00 0.00 C ATOM 0 H THR A 455 -6.785 -4.975 -4.805 1.00 0.00 H new ATOM 0 HA THR A 455 -5.449 -7.448 -5.672 1.00 0.00 H new ATOM 0 HB THR A 455 -6.667 -7.117 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.677 -5.909 -7.668 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.785 -8.145 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.367 -8.857 -6.270 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.388 -7.685 -5.404 1.00 0.00 H new ATOM 397 N GLU A 456 -4.276 -6.219 -7.596 1.00 0.00 N ATOM 398 CA GLU A 456 -3.286 -5.518 -8.376 1.00 0.00 C ATOM 399 C GLU A 456 -3.930 -4.391 -9.164 1.00 0.00 C ATOM 400 O GLU A 456 -3.506 -3.240 -9.090 1.00 0.00 O ATOM 401 CB GLU A 456 -2.622 -6.503 -9.325 1.00 0.00 C ATOM 402 CG GLU A 456 -1.390 -7.173 -8.735 1.00 0.00 C ATOM 403 CD GLU A 456 -0.721 -8.117 -9.716 1.00 0.00 C ATOM 404 OE1 GLU A 456 -0.352 -7.664 -10.819 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.565 -9.310 -9.379 1.00 0.00 O ATOM 0 H GLU A 456 -4.394 -7.198 -7.857 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.540 -5.085 -7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.344 -7.270 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.340 -5.981 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.677 -6.409 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.674 -7.725 -7.839 1.00 0.00 H new ATOM 412 N ASP A 457 -4.958 -4.745 -9.919 1.00 0.00 N ATOM 413 CA ASP A 457 -5.681 -3.780 -10.742 1.00 0.00 C ATOM 414 C ASP A 457 -6.263 -2.642 -9.906 1.00 0.00 C ATOM 415 O ASP A 457 -6.445 -1.528 -10.398 1.00 0.00 O ATOM 416 CB ASP A 457 -6.794 -4.480 -11.518 1.00 0.00 C ATOM 417 CG ASP A 457 -6.603 -4.389 -13.019 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.217 -3.304 -13.503 1.00 0.00 O ATOM 419 OD2 ASP A 457 -6.838 -5.402 -13.710 1.00 0.00 O ATOM 0 H ASP A 457 -5.314 -5.699 -9.981 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.967 -3.345 -11.442 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.834 -5.529 -11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.753 -4.037 -11.250 1.00 0.00 H new ATOM 424 N ALA A 458 -6.562 -2.932 -8.650 1.00 0.00 N ATOM 425 CA ALA A 458 -7.135 -1.939 -7.748 1.00 0.00 C ATOM 426 C ALA A 458 -6.108 -0.899 -7.328 1.00 0.00 C ATOM 427 O ALA A 458 -6.443 0.265 -7.123 1.00 0.00 O ATOM 428 CB ALA A 458 -7.720 -2.616 -6.517 1.00 0.00 C ATOM 0 H ALA A 458 -6.418 -3.850 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.929 -1.426 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.144 -1.862 -5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.502 -3.312 -6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.934 -3.160 -5.993 1.00 0.00 H new ATOM 434 N VAL A 459 -4.860 -1.317 -7.183 1.00 0.00 N ATOM 435 CA VAL A 459 -3.810 -0.402 -6.773 1.00 0.00 C ATOM 436 C VAL A 459 -3.382 0.505 -7.919 1.00 0.00 C ATOM 437 O VAL A 459 -3.095 1.682 -7.715 1.00 0.00 O ATOM 438 CB VAL A 459 -2.589 -1.145 -6.211 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.616 -0.159 -5.586 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.021 -2.189 -5.192 1.00 0.00 C ATOM 0 H VAL A 459 -4.553 -2.276 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.229 0.214 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.086 -1.657 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.755 -0.698 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.283 0.553 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.111 0.377 -4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.142 -2.705 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.546 -1.701 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.685 -2.910 -5.669 1.00 0.00 H new ATOM 450 N ARG A 460 -3.360 -0.043 -9.127 1.00 0.00 N ATOM 451 CA ARG A 460 -2.984 0.732 -10.310 1.00 0.00 C ATOM 452 C ARG A 460 -3.850 1.983 -10.415 1.00 0.00 C ATOM 453 O ARG A 460 -3.350 3.079 -10.662 1.00 0.00 O ATOM 454 CB ARG A 460 -3.134 -0.107 -11.583 1.00 0.00 C ATOM 455 CG ARG A 460 -2.563 -1.514 -11.474 1.00 0.00 C ATOM 456 CD ARG A 460 -1.134 -1.510 -10.951 1.00 0.00 C ATOM 457 NE ARG A 460 -0.191 -2.040 -11.933 1.00 0.00 N ATOM 458 CZ ARG A 460 0.325 -1.324 -12.930 1.00 0.00 C ATOM 459 NH1 ARG A 460 -0.006 -0.047 -13.081 1.00 0.00 N ATOM 460 NH2 ARG A 460 1.177 -1.885 -13.777 1.00 0.00 N ATOM 0 H ARG A 460 -3.596 -1.017 -9.317 1.00 0.00 H new ATOM 0 HA ARG A 460 -1.939 1.023 -10.206 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.192 -0.175 -11.837 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.641 0.410 -12.406 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.190 -2.109 -10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -2.590 -1.993 -12.453 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -0.848 -0.492 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.080 -2.104 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 460 0.089 -3.017 -11.850 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -0.659 0.391 -12.431 1.00 0.00 H new ATOM 0 HH12 ARG A 460 0.393 0.496 -13.847 1.00 0.00 H new ATOM 0 HH21 ARG A 460 1.437 -2.865 -13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 460 1.572 -1.337 -14.541 1.00 0.00 H new ATOM 474 N ARG A 461 -5.153 1.804 -10.218 1.00 0.00 N ATOM 475 CA ARG A 461 -6.101 2.909 -10.281 1.00 0.00 C ATOM 476 C ARG A 461 -5.798 3.948 -9.205 1.00 0.00 C ATOM 477 O ARG A 461 -6.060 5.138 -9.387 1.00 0.00 O ATOM 478 CB ARG A 461 -7.531 2.380 -10.141 1.00 0.00 C ATOM 479 CG ARG A 461 -7.827 1.831 -8.765 1.00 0.00 C ATOM 480 CD ARG A 461 -9.173 2.301 -8.242 1.00 0.00 C ATOM 481 NE ARG A 461 -10.062 1.184 -7.935 1.00 0.00 N ATOM 482 CZ ARG A 461 -11.359 1.319 -7.673 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.923 2.521 -7.677 1.00 0.00 N ATOM 484 NH2 ARG A 461 -12.096 0.250 -7.404 1.00 0.00 N ATOM 0 H ARG A 461 -5.577 0.899 -10.013 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.003 3.397 -11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.233 3.184 -10.364 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.697 1.597 -10.881 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -7.811 0.742 -8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.042 2.140 -8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -9.023 2.902 -7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -9.645 2.946 -8.983 1.00 0.00 H new ATOM 0 HE ARG A 461 -9.665 0.245 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.361 3.347 -7.882 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.918 2.618 -7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -11.668 -0.676 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -13.091 0.354 -7.203 1.00 0.00 H new ATOM 498 N TYR A 462 -5.230 3.498 -8.088 1.00 0.00 N ATOM 499 CA TYR A 462 -4.878 4.401 -6.997 1.00 0.00 C ATOM 500 C TYR A 462 -3.737 5.316 -7.420 1.00 0.00 C ATOM 501 O TYR A 462 -3.760 6.518 -7.165 1.00 0.00 O ATOM 502 CB TYR A 462 -4.465 3.612 -5.749 1.00 0.00 C ATOM 503 CG TYR A 462 -5.510 2.636 -5.251 1.00 0.00 C ATOM 504 CD1 TYR A 462 -6.815 2.671 -5.729 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.186 1.673 -4.300 1.00 0.00 C ATOM 506 CE1 TYR A 462 -7.766 1.778 -5.278 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.133 0.776 -3.847 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.420 0.833 -4.337 1.00 0.00 C ATOM 509 OH TYR A 462 -8.365 -0.060 -3.886 1.00 0.00 O ATOM 0 H TYR A 462 -5.005 2.518 -7.916 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.756 5.002 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.549 3.064 -5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -4.233 4.316 -4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.090 3.410 -6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.180 1.627 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -8.775 1.820 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -5.866 0.032 -3.111 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.084 -0.424 -3.021 1.00 0.00 H new ATOM 519 N LEU A 463 -2.741 4.725 -8.068 1.00 0.00 N ATOM 520 CA LEU A 463 -1.576 5.457 -8.532 1.00 0.00 C ATOM 521 C LEU A 463 -1.942 6.434 -9.640 1.00 0.00 C ATOM 522 O LEU A 463 -1.739 7.641 -9.508 1.00 0.00 O ATOM 523 CB LEU A 463 -0.517 4.479 -9.036 1.00 0.00 C ATOM 524 CG LEU A 463 -0.517 3.095 -8.375 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.762 2.349 -8.711 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.683 3.211 -6.864 1.00 0.00 C ATOM 0 H LEU A 463 -2.721 3.728 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.179 6.028 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -0.652 4.348 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.465 4.930 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.364 2.532 -8.766 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.747 1.369 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.839 2.226 -9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.620 2.916 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.680 2.215 -6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.140 3.795 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.628 3.706 -6.639 1.00 0.00 H new ATOM 538 N THR A 464 -2.488 5.908 -10.733 1.00 0.00 N ATOM 539 CA THR A 464 -2.884 6.738 -11.862 1.00 0.00 C ATOM 540 C THR A 464 -3.727 7.918 -11.390 1.00 0.00 C ATOM 541 O THR A 464 -3.767 8.966 -12.034 1.00 0.00 O ATOM 542 CB THR A 464 -3.664 5.909 -12.884 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.138 4.708 -12.302 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.845 5.534 -14.101 1.00 0.00 C ATOM 0 H THR A 464 -2.665 4.911 -10.859 1.00 0.00 H new ATOM 0 HA THR A 464 -1.982 7.124 -12.337 1.00 0.00 H new ATOM 0 HB THR A 464 -4.489 6.547 -13.201 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.385 4.102 -12.144 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.458 4.947 -14.785 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.505 6.439 -14.604 1.00 0.00 H new ATOM 0 HG23 THR A 464 -1.982 4.945 -13.791 1.00 0.00 H new ATOM 552 N ARG A 465 -4.395 7.734 -10.259 1.00 0.00 N ATOM 553 CA ARG A 465 -5.233 8.770 -9.691 1.00 0.00 C ATOM 554 C ARG A 465 -4.435 9.658 -8.735 1.00 0.00 C ATOM 555 O ARG A 465 -4.532 10.884 -8.786 1.00 0.00 O ATOM 556 CB ARG A 465 -6.423 8.150 -8.958 1.00 0.00 C ATOM 557 CG ARG A 465 -7.611 9.088 -8.825 1.00 0.00 C ATOM 558 CD ARG A 465 -8.929 8.332 -8.900 1.00 0.00 C ATOM 559 NE ARG A 465 -10.044 9.123 -8.385 1.00 0.00 N ATOM 560 CZ ARG A 465 -11.266 8.636 -8.179 1.00 0.00 C ATOM 561 NH1 ARG A 465 -11.534 7.363 -8.443 1.00 0.00 N ATOM 562 NH2 ARG A 465 -12.222 9.424 -7.708 1.00 0.00 N ATOM 0 H ARG A 465 -4.369 6.870 -9.718 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.602 9.390 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.738 7.251 -9.489 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.104 7.838 -7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -7.550 9.622 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.575 9.837 -9.616 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -9.129 8.054 -9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.848 7.406 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 465 -9.877 10.106 -8.171 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -10.802 6.752 -8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -12.472 6.996 -8.283 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.021 10.403 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -13.158 9.051 -7.550 1.00 0.00 H new ATOM 576 N LYS A 466 -3.652 9.028 -7.860 1.00 0.00 N ATOM 577 CA LYS A 466 -2.847 9.755 -6.889 1.00 0.00 C ATOM 578 C LYS A 466 -1.897 8.810 -6.150 1.00 0.00 C ATOM 579 O LYS A 466 -2.317 7.761 -5.660 1.00 0.00 O ATOM 580 CB LYS A 466 -3.756 10.465 -5.896 1.00 0.00 C ATOM 581 CG LYS A 466 -3.371 11.911 -5.649 1.00 0.00 C ATOM 582 CD LYS A 466 -2.651 12.069 -4.321 1.00 0.00 C ATOM 583 CE LYS A 466 -1.240 12.602 -4.502 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.978 13.791 -3.645 1.00 0.00 N ATOM 0 H LYS A 466 -3.560 8.014 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.246 10.493 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.781 10.428 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.738 9.926 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -2.730 12.262 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.265 12.535 -5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -3.216 12.746 -3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.613 11.106 -3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -0.523 11.817 -4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -1.084 12.868 -5.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -0.004 14.123 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -1.645 14.550 -3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.101 13.532 -2.645 1.00 0.00 H new ATOM 598 N PRO A 467 -0.599 9.159 -6.055 1.00 0.00 N ATOM 599 CA PRO A 467 0.390 8.322 -5.372 1.00 0.00 C ATOM 600 C PRO A 467 -0.042 7.948 -3.959 1.00 0.00 C ATOM 601 O PRO A 467 -0.958 8.550 -3.399 1.00 0.00 O ATOM 602 CB PRO A 467 1.671 9.169 -5.374 1.00 0.00 C ATOM 603 CG PRO A 467 1.236 10.547 -5.747 1.00 0.00 C ATOM 604 CD PRO A 467 0.009 10.381 -6.599 1.00 0.00 C ATOM 0 HA PRO A 467 0.526 7.364 -5.874 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.149 9.160 -4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.398 8.780 -6.087 1.00 0.00 H new ATOM 0 HG2 PRO A 467 1.017 11.140 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 467 2.022 11.069 -6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.660 11.237 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.260 10.273 -7.654 1.00 0.00 H new ATOM 612 N MET A 468 0.607 6.930 -3.398 1.00 0.00 N ATOM 613 CA MET A 468 0.271 6.451 -2.060 1.00 0.00 C ATOM 614 C MET A 468 1.428 5.703 -1.412 1.00 0.00 C ATOM 615 O MET A 468 2.309 5.177 -2.092 1.00 0.00 O ATOM 616 CB MET A 468 -0.945 5.510 -2.118 1.00 0.00 C ATOM 617 CG MET A 468 -0.633 4.103 -2.624 1.00 0.00 C ATOM 618 SD MET A 468 0.454 4.079 -4.065 1.00 0.00 S ATOM 619 CE MET A 468 1.522 2.698 -3.669 1.00 0.00 C ATOM 0 H MET A 468 1.368 6.422 -3.849 1.00 0.00 H new ATOM 0 HA MET A 468 0.044 7.332 -1.459 1.00 0.00 H new ATOM 0 HB2 MET A 468 -1.379 5.436 -1.121 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.702 5.955 -2.763 1.00 0.00 H new ATOM 0 HG2 MET A 468 -0.170 3.531 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 468 -1.567 3.601 -2.875 1.00 0.00 H new ATOM 0 HE1 MET A 468 2.440 2.769 -4.252 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.765 2.719 -2.607 1.00 0.00 H new ATOM 0 HE3 MET A 468 1.012 1.764 -3.907 1.00 0.00 H new ATOM 629 N THR A 469 1.379 5.617 -0.088 1.00 0.00 N ATOM 630 CA THR A 469 2.377 4.883 0.671 1.00 0.00 C ATOM 631 C THR A 469 1.763 3.548 1.076 1.00 0.00 C ATOM 632 O THR A 469 0.540 3.435 1.152 1.00 0.00 O ATOM 633 CB THR A 469 2.809 5.663 1.915 1.00 0.00 C ATOM 634 OG1 THR A 469 1.867 5.503 2.963 1.00 0.00 O ATOM 635 CG2 THR A 469 2.968 7.147 1.671 1.00 0.00 C ATOM 0 H THR A 469 0.653 6.050 0.483 1.00 0.00 H new ATOM 0 HA THR A 469 3.266 4.730 0.059 1.00 0.00 H new ATOM 0 HB THR A 469 3.780 5.249 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.075 6.129 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.275 7.637 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.725 7.311 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.018 7.565 1.338 1.00 0.00 H new ATOM 643 N THR A 470 2.583 2.535 1.327 1.00 0.00 N ATOM 644 CA THR A 470 2.047 1.231 1.708 1.00 0.00 C ATOM 645 C THR A 470 1.073 1.364 2.862 1.00 0.00 C ATOM 646 O THR A 470 -0.006 0.775 2.846 1.00 0.00 O ATOM 647 CB THR A 470 3.162 0.247 2.051 1.00 0.00 C ATOM 648 OG1 THR A 470 4.371 0.924 2.335 1.00 0.00 O ATOM 649 CG2 THR A 470 3.433 -0.732 0.932 1.00 0.00 C ATOM 0 H THR A 470 3.600 2.586 1.276 1.00 0.00 H new ATOM 0 HA THR A 470 1.508 0.833 0.849 1.00 0.00 H new ATOM 0 HB THR A 470 2.814 -0.299 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 470 4.655 0.716 3.249 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.234 -1.409 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 470 2.530 -1.307 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 470 3.730 -0.187 0.036 1.00 0.00 H new ATOM 657 N LYS A 471 1.447 2.160 3.845 1.00 0.00 N ATOM 658 CA LYS A 471 0.592 2.392 4.998 1.00 0.00 C ATOM 659 C LYS A 471 -0.724 3.014 4.546 1.00 0.00 C ATOM 660 O LYS A 471 -1.800 2.461 4.765 1.00 0.00 O ATOM 661 CB LYS A 471 1.284 3.314 6.006 1.00 0.00 C ATOM 662 CG LYS A 471 2.747 2.973 6.245 1.00 0.00 C ATOM 663 CD LYS A 471 3.672 3.897 5.472 1.00 0.00 C ATOM 664 CE LYS A 471 4.856 3.142 4.884 1.00 0.00 C ATOM 665 NZ LYS A 471 4.877 3.212 3.398 1.00 0.00 N ATOM 0 H LYS A 471 2.337 2.658 3.870 1.00 0.00 H new ATOM 0 HA LYS A 471 0.394 1.436 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.213 4.342 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 471 0.750 3.266 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 471 2.968 3.044 7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 471 2.933 1.941 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.115 4.383 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.034 4.685 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 471 5.783 3.556 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 471 4.813 2.099 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 4.923 2.250 3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.013 3.683 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 5.710 3.752 3.088 1.00 0.00 H new ATOM 679 N ASP A 472 -0.622 4.166 3.900 1.00 0.00 N ATOM 680 CA ASP A 472 -1.797 4.870 3.403 1.00 0.00 C ATOM 681 C ASP A 472 -2.602 4.003 2.437 1.00 0.00 C ATOM 682 O ASP A 472 -3.782 4.262 2.203 1.00 0.00 O ATOM 683 CB ASP A 472 -1.379 6.169 2.710 1.00 0.00 C ATOM 684 CG ASP A 472 -2.570 6.992 2.259 1.00 0.00 C ATOM 685 OD1 ASP A 472 -3.351 7.431 3.129 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.721 7.197 1.037 1.00 0.00 O ATOM 0 H ASP A 472 0.263 4.635 3.707 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.432 5.102 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.769 6.761 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.756 5.933 1.847 1.00 0.00 H new ATOM 691 N LEU A 473 -1.966 2.978 1.870 1.00 0.00 N ATOM 692 CA LEU A 473 -2.648 2.099 0.927 1.00 0.00 C ATOM 693 C LEU A 473 -3.360 0.953 1.638 1.00 0.00 C ATOM 694 O LEU A 473 -4.477 0.583 1.278 1.00 0.00 O ATOM 695 CB LEU A 473 -1.675 1.560 -0.116 1.00 0.00 C ATOM 696 CG LEU A 473 -2.190 1.626 -1.545 1.00 0.00 C ATOM 697 CD1 LEU A 473 -1.111 1.179 -2.521 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.444 0.776 -1.694 1.00 0.00 C ATOM 0 H LEU A 473 -0.990 2.739 2.046 1.00 0.00 H new ATOM 0 HA LEU A 473 -3.406 2.695 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.743 2.122 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.439 0.524 0.125 1.00 0.00 H new ATOM 0 HG LEU A 473 -2.448 2.659 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -1.497 1.232 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 473 -0.243 1.831 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.820 0.153 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.802 0.833 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -3.213 -0.260 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -4.217 1.146 -1.020 1.00 0.00 H new ATOM 710 N LEU A 474 -2.708 0.396 2.643 1.00 0.00 N ATOM 711 CA LEU A 474 -3.286 -0.710 3.402 1.00 0.00 C ATOM 712 C LEU A 474 -4.217 -0.208 4.500 1.00 0.00 C ATOM 713 O LEU A 474 -5.349 -0.676 4.625 1.00 0.00 O ATOM 714 CB LEU A 474 -2.205 -1.607 4.005 1.00 0.00 C ATOM 715 CG LEU A 474 -1.130 -0.869 4.786 1.00 0.00 C ATOM 716 CD1 LEU A 474 -1.369 -0.997 6.284 1.00 0.00 C ATOM 717 CD2 LEU A 474 0.251 -1.388 4.414 1.00 0.00 C ATOM 0 H LEU A 474 -1.781 0.686 2.955 1.00 0.00 H new ATOM 0 HA LEU A 474 -3.869 -1.302 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -2.681 -2.333 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -1.730 -2.170 3.202 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.180 0.188 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -0.588 -0.462 6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.341 -0.572 6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -1.349 -2.049 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 474 1.008 -0.848 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 474 0.314 -2.452 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 474 0.422 -1.237 3.348 1.00 0.00 H new ATOM 729 N LYS A 475 -3.740 0.746 5.297 1.00 0.00 N ATOM 730 CA LYS A 475 -4.536 1.305 6.380 1.00 0.00 C ATOM 731 C LYS A 475 -5.931 1.697 5.903 1.00 0.00 C ATOM 732 O LYS A 475 -6.876 1.741 6.690 1.00 0.00 O ATOM 733 CB LYS A 475 -3.817 2.513 6.972 1.00 0.00 C ATOM 734 CG LYS A 475 -2.428 2.180 7.484 1.00 0.00 C ATOM 735 CD LYS A 475 -2.477 1.101 8.549 1.00 0.00 C ATOM 736 CE LYS A 475 -1.171 1.019 9.322 1.00 0.00 C ATOM 737 NZ LYS A 475 -1.210 1.833 10.568 1.00 0.00 N ATOM 0 H LYS A 475 -2.806 1.146 5.211 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.655 0.541 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.742 3.293 6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -4.412 2.919 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -1.803 1.848 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -1.964 3.077 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -3.296 1.306 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.686 0.138 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -0.963 -0.021 9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -0.353 1.363 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 -0.301 1.750 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 -1.383 2.830 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -1.974 1.489 11.184 1.00 0.00 H new ATOM 751 N LYS A 476 -6.057 1.980 4.610 1.00 0.00 N ATOM 752 CA LYS A 476 -7.338 2.362 4.040 1.00 0.00 C ATOM 753 C LYS A 476 -8.191 1.125 3.747 1.00 0.00 C ATOM 754 O LYS A 476 -9.389 1.108 4.031 1.00 0.00 O ATOM 755 CB LYS A 476 -7.119 3.219 2.777 1.00 0.00 C ATOM 756 CG LYS A 476 -7.695 2.639 1.489 1.00 0.00 C ATOM 757 CD LYS A 476 -6.632 2.454 0.429 1.00 0.00 C ATOM 758 CE LYS A 476 -6.900 1.198 -0.364 1.00 0.00 C ATOM 759 NZ LYS A 476 -7.812 1.452 -1.512 1.00 0.00 N ATOM 0 H LYS A 476 -5.288 1.951 3.941 1.00 0.00 H new ATOM 0 HA LYS A 476 -7.885 2.966 4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -7.561 4.201 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -6.048 3.370 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -8.166 1.679 1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -8.475 3.300 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -6.618 3.317 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -5.649 2.395 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.957 0.793 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -7.339 0.443 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -8.682 0.895 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -8.051 2.464 -1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -7.341 1.176 -2.397 1.00 0.00 H new ATOM 773 N PHE A 477 -7.569 0.093 3.178 1.00 0.00 N ATOM 774 CA PHE A 477 -8.272 -1.138 2.852 1.00 0.00 C ATOM 775 C PHE A 477 -8.866 -1.772 4.101 1.00 0.00 C ATOM 776 O PHE A 477 -9.891 -2.452 4.043 1.00 0.00 O ATOM 777 CB PHE A 477 -7.311 -2.121 2.190 1.00 0.00 C ATOM 778 CG PHE A 477 -7.263 -2.014 0.695 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.388 -2.269 -0.074 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.088 -1.660 0.058 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.338 -2.173 -1.450 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.031 -1.564 -1.316 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.157 -1.821 -2.072 1.00 0.00 C ATOM 0 H PHE A 477 -6.578 0.089 2.935 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.084 -0.897 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.309 -1.958 2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.601 -3.136 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.314 -2.546 0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.204 -1.456 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.221 -2.373 -2.039 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.106 -1.288 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.114 -1.747 -3.149 1.00 0.00 H new ATOM 793 N GLN A 478 -8.204 -1.550 5.224 1.00 0.00 N ATOM 794 CA GLN A 478 -8.644 -2.102 6.496 1.00 0.00 C ATOM 795 C GLN A 478 -9.789 -1.288 7.085 1.00 0.00 C ATOM 796 O GLN A 478 -9.701 -0.066 7.205 1.00 0.00 O ATOM 797 CB GLN A 478 -7.478 -2.158 7.485 1.00 0.00 C ATOM 798 CG GLN A 478 -6.782 -0.823 7.681 1.00 0.00 C ATOM 799 CD GLN A 478 -5.842 -0.824 8.870 1.00 0.00 C ATOM 800 OE1 GLN A 478 -4.815 -1.505 8.864 1.00 0.00 O ATOM 801 NE2 GLN A 478 -6.188 -0.060 9.899 1.00 0.00 N ATOM 0 H GLN A 478 -7.355 -0.988 5.281 1.00 0.00 H new ATOM 0 HA GLN A 478 -9.005 -3.114 6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 478 -7.846 -2.511 8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 478 -6.750 -2.890 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 478 -6.222 -0.574 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 478 -7.532 -0.043 7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 478 -7.048 0.488 9.861 1.00 0.00 H new ATOM 0 HE22 GLN A 478 -5.594 -0.021 10.727 1.00 0.00 H new ATOM 810 N THR A 479 -10.862 -1.978 7.458 1.00 0.00 N ATOM 811 CA THR A 479 -12.026 -1.327 8.043 1.00 0.00 C ATOM 812 C THR A 479 -13.071 -2.359 8.456 1.00 0.00 C ATOM 813 O THR A 479 -13.206 -2.679 9.637 1.00 0.00 O ATOM 814 CB THR A 479 -12.634 -0.332 7.051 1.00 0.00 C ATOM 815 OG1 THR A 479 -12.293 -0.680 5.721 1.00 0.00 O ATOM 816 CG2 THR A 479 -12.185 1.094 7.283 1.00 0.00 C ATOM 0 H THR A 479 -10.948 -2.990 7.365 1.00 0.00 H new ATOM 0 HA THR A 479 -11.703 -0.786 8.933 1.00 0.00 H new ATOM 0 HB THR A 479 -13.711 -0.386 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 479 -12.692 -0.034 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 479 -12.653 1.747 6.546 1.00 0.00 H new ATOM 0 HG22 THR A 479 -12.477 1.409 8.285 1.00 0.00 H new ATOM 0 HG23 THR A 479 -11.101 1.155 7.186 1.00 0.00 H new ATOM 824 N LYS A 480 -13.806 -2.877 7.476 1.00 0.00 N ATOM 825 CA LYS A 480 -14.839 -3.872 7.742 1.00 0.00 C ATOM 826 C LYS A 480 -15.506 -4.353 6.453 1.00 0.00 C ATOM 827 O LYS A 480 -16.635 -4.843 6.482 1.00 0.00 O ATOM 828 CB LYS A 480 -15.897 -3.292 8.680 1.00 0.00 C ATOM 829 CG LYS A 480 -16.809 -4.341 9.295 1.00 0.00 C ATOM 830 CD LYS A 480 -16.379 -4.694 10.710 1.00 0.00 C ATOM 831 CE LYS A 480 -16.866 -6.077 11.112 1.00 0.00 C ATOM 832 NZ LYS A 480 -17.199 -6.148 12.562 1.00 0.00 N ATOM 0 H LYS A 480 -13.706 -2.625 6.493 1.00 0.00 H new ATOM 0 HA LYS A 480 -14.357 -4.728 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 480 -15.399 -2.742 9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 480 -16.504 -2.574 8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 480 -17.834 -3.971 9.307 1.00 0.00 H new ATOM 0 HG3 LYS A 480 -16.801 -5.239 8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 480 -15.292 -4.655 10.781 1.00 0.00 H new ATOM 0 HD3 LYS A 480 -16.771 -3.953 11.406 1.00 0.00 H new ATOM 0 HE2 LYS A 480 -17.746 -6.337 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 480 -16.098 -6.814 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 480 -17.527 -7.107 12.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 480 -16.353 -5.925 13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 480 -17.950 -5.462 12.780 1.00 0.00 H new ATOM 846 N LYS A 481 -14.818 -4.209 5.322 1.00 0.00 N ATOM 847 CA LYS A 481 -15.376 -4.630 4.041 1.00 0.00 C ATOM 848 C LYS A 481 -14.674 -5.865 3.507 1.00 0.00 C ATOM 849 O LYS A 481 -15.244 -6.957 3.499 1.00 0.00 O ATOM 850 CB LYS A 481 -15.293 -3.493 3.021 1.00 0.00 C ATOM 851 CG LYS A 481 -16.181 -2.307 3.358 1.00 0.00 C ATOM 852 CD LYS A 481 -17.536 -2.412 2.676 1.00 0.00 C ATOM 853 CE LYS A 481 -18.005 -1.062 2.159 1.00 0.00 C ATOM 854 NZ LYS A 481 -19.460 -1.064 1.838 1.00 0.00 N ATOM 0 H LYS A 481 -13.882 -3.808 5.267 1.00 0.00 H new ATOM 0 HA LYS A 481 -16.423 -4.884 4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 481 -14.259 -3.154 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 481 -15.570 -3.876 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 481 -16.320 -2.250 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 481 -15.689 -1.384 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 481 -17.474 -3.118 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 481 -18.269 -2.808 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 481 -17.799 -0.296 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 481 -17.437 -0.798 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -19.740 -0.125 1.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 -19.653 -1.777 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -20.004 -1.291 2.695 1.00 0.00 H new ATOM 868 N THR A 482 -13.436 -5.698 3.067 1.00 0.00 N ATOM 869 CA THR A 482 -12.661 -6.813 2.540 1.00 0.00 C ATOM 870 C THR A 482 -12.622 -7.978 3.529 1.00 0.00 C ATOM 871 O THR A 482 -12.190 -9.078 3.181 1.00 0.00 O ATOM 872 CB THR A 482 -11.231 -6.363 2.229 1.00 0.00 C ATOM 873 OG1 THR A 482 -10.498 -6.168 3.424 1.00 0.00 O ATOM 874 CG2 THR A 482 -11.160 -5.076 1.438 1.00 0.00 C ATOM 0 H THR A 482 -12.946 -4.803 3.064 1.00 0.00 H new ATOM 0 HA THR A 482 -13.147 -7.151 1.625 1.00 0.00 H new ATOM 0 HB THR A 482 -10.805 -7.164 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 482 -9.586 -5.882 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 482 -10.117 -4.819 1.255 1.00 0.00 H new ATOM 0 HG22 THR A 482 -11.675 -5.205 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 482 -11.637 -4.275 2.003 1.00 0.00 H new ATOM 882 N GLY A 483 -13.043 -7.731 4.772 1.00 0.00 N ATOM 883 CA GLY A 483 -13.006 -8.771 5.776 1.00 0.00 C ATOM 884 C GLY A 483 -11.588 -9.215 6.026 1.00 0.00 C ATOM 885 O GLY A 483 -11.339 -10.315 6.519 1.00 0.00 O ATOM 0 H GLY A 483 -13.405 -6.833 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 483 -13.447 -8.405 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 483 -13.607 -9.620 5.450 1.00 0.00 H new ATOM 889 N LEU A 484 -10.654 -8.345 5.659 1.00 0.00 N ATOM 890 CA LEU A 484 -9.240 -8.629 5.813 1.00 0.00 C ATOM 891 C LEU A 484 -8.649 -7.892 7.010 1.00 0.00 C ATOM 892 O LEU A 484 -8.729 -6.666 7.103 1.00 0.00 O ATOM 893 CB LEU A 484 -8.487 -8.251 4.534 1.00 0.00 C ATOM 894 CG LEU A 484 -7.673 -9.379 3.897 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.509 -10.644 3.771 1.00 0.00 C ATOM 896 CD2 LEU A 484 -7.151 -8.947 2.534 1.00 0.00 C ATOM 0 H LEU A 484 -10.857 -7.433 5.251 1.00 0.00 H new ATOM 0 HA LEU A 484 -9.130 -9.698 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -9.208 -7.887 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -7.815 -7.423 4.759 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.823 -9.597 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -7.910 -11.432 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.837 -10.963 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -9.380 -10.444 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.573 -9.759 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.991 -8.703 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.514 -8.070 2.650 1.00 0.00 H new ATOM 908 N SER A 485 -8.053 -8.652 7.920 1.00 0.00 N ATOM 909 CA SER A 485 -7.436 -8.091 9.120 1.00 0.00 C ATOM 910 C SER A 485 -6.554 -6.892 8.784 1.00 0.00 C ATOM 911 O SER A 485 -6.045 -6.776 7.670 1.00 0.00 O ATOM 912 CB SER A 485 -6.596 -9.153 9.822 1.00 0.00 C ATOM 913 OG SER A 485 -6.961 -9.275 11.185 1.00 0.00 O ATOM 0 H SER A 485 -7.983 -9.667 7.850 1.00 0.00 H new ATOM 0 HA SER A 485 -8.237 -7.757 9.779 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.725 -10.112 9.321 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.540 -8.893 9.747 1.00 0.00 H new ATOM 0 HG SER A 485 -6.409 -9.963 11.611 1.00 0.00 H new ATOM 919 N SER A 486 -6.366 -6.011 9.761 1.00 0.00 N ATOM 920 CA SER A 486 -5.531 -4.833 9.568 1.00 0.00 C ATOM 921 C SER A 486 -4.099 -5.241 9.240 1.00 0.00 C ATOM 922 O SER A 486 -3.363 -4.501 8.587 1.00 0.00 O ATOM 923 CB SER A 486 -5.553 -3.953 10.819 1.00 0.00 C ATOM 924 OG SER A 486 -5.449 -4.736 11.996 1.00 0.00 O ATOM 0 H SER A 486 -6.779 -6.090 10.690 1.00 0.00 H new ATOM 0 HA SER A 486 -5.932 -4.262 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.730 -3.239 10.780 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.476 -3.374 10.844 1.00 0.00 H new ATOM 0 HG SER A 486 -5.464 -4.150 12.781 1.00 0.00 H new ATOM 930 N GLU A 487 -3.716 -6.428 9.697 1.00 0.00 N ATOM 931 CA GLU A 487 -2.382 -6.951 9.455 1.00 0.00 C ATOM 932 C GLU A 487 -2.352 -7.769 8.173 1.00 0.00 C ATOM 933 O GLU A 487 -1.424 -7.661 7.372 1.00 0.00 O ATOM 934 CB GLU A 487 -1.915 -7.809 10.635 1.00 0.00 C ATOM 935 CG GLU A 487 -2.442 -7.340 11.982 1.00 0.00 C ATOM 936 CD GLU A 487 -1.624 -7.870 13.145 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.423 -9.102 13.216 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.185 -7.056 13.982 1.00 0.00 O ATOM 0 H GLU A 487 -4.317 -7.048 10.240 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.702 -6.106 9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -2.231 -8.839 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.825 -7.810 10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -2.441 -6.250 12.009 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -3.478 -7.661 12.095 1.00 0.00 H new ATOM 945 N GLN A 488 -3.382 -8.577 7.986 1.00 0.00 N ATOM 946 CA GLN A 488 -3.495 -9.410 6.801 1.00 0.00 C ATOM 947 C GLN A 488 -3.665 -8.540 5.565 1.00 0.00 C ATOM 948 O GLN A 488 -3.061 -8.799 4.523 1.00 0.00 O ATOM 949 CB GLN A 488 -4.669 -10.381 6.933 1.00 0.00 C ATOM 950 CG GLN A 488 -4.250 -11.783 7.339 1.00 0.00 C ATOM 951 CD GLN A 488 -5.242 -12.438 8.281 1.00 0.00 C ATOM 952 OE1 GLN A 488 -4.875 -12.907 9.359 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.506 -12.472 7.877 1.00 0.00 N ATOM 0 H GLN A 488 -4.156 -8.674 8.644 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.580 -9.993 6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -5.371 -9.992 7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -5.199 -10.429 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -4.141 -12.399 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.272 -11.741 7.819 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -6.764 -12.071 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -7.219 -12.899 8.468 1.00 0.00 H new ATOM 962 N THR A 489 -4.472 -7.486 5.692 1.00 0.00 N ATOM 963 CA THR A 489 -4.691 -6.562 4.586 1.00 0.00 C ATOM 964 C THR A 489 -3.349 -6.122 4.016 1.00 0.00 C ATOM 965 O THR A 489 -3.227 -5.829 2.829 1.00 0.00 O ATOM 966 CB THR A 489 -5.487 -5.339 5.049 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.743 -5.724 5.575 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.743 -4.339 3.942 1.00 0.00 C ATOM 0 H THR A 489 -4.981 -7.254 6.545 1.00 0.00 H new ATOM 0 HA THR A 489 -5.266 -7.072 3.814 1.00 0.00 H new ATOM 0 HB THR A 489 -4.868 -4.866 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.690 -5.764 6.553 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.311 -3.497 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.792 -3.982 3.547 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.310 -4.817 3.144 1.00 0.00 H new ATOM 976 N VAL A 490 -2.341 -6.100 4.883 1.00 0.00 N ATOM 977 CA VAL A 490 -0.990 -5.721 4.489 1.00 0.00 C ATOM 978 C VAL A 490 -0.274 -6.913 3.873 1.00 0.00 C ATOM 979 O VAL A 490 0.434 -6.788 2.874 1.00 0.00 O ATOM 980 CB VAL A 490 -0.181 -5.223 5.697 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.104 -4.545 5.247 1.00 0.00 C ATOM 982 CG2 VAL A 490 -1.022 -4.285 6.542 1.00 0.00 C ATOM 0 H VAL A 490 -2.437 -6.342 5.869 1.00 0.00 H new ATOM 0 HA VAL A 490 -1.069 -4.915 3.760 1.00 0.00 H new ATOM 0 HB VAL A 490 0.093 -6.083 6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.659 -4.201 6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 490 1.713 -5.254 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 490 0.863 -3.693 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.437 -3.940 7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.327 -3.429 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.907 -4.812 6.899 1.00 0.00 H new ATOM 992 N ASN A 491 -0.483 -8.074 4.481 1.00 0.00 N ATOM 993 CA ASN A 491 0.115 -9.314 4.012 1.00 0.00 C ATOM 994 C ASN A 491 -0.301 -9.593 2.568 1.00 0.00 C ATOM 995 O ASN A 491 0.427 -10.237 1.812 1.00 0.00 O ATOM 996 CB ASN A 491 -0.314 -10.461 4.933 1.00 0.00 C ATOM 997 CG ASN A 491 -0.114 -11.833 4.315 1.00 0.00 C ATOM 998 OD1 ASN A 491 0.994 -12.198 3.924 1.00 0.00 O ATOM 999 ND2 ASN A 491 -1.196 -12.599 4.228 1.00 0.00 N ATOM 0 H ASN A 491 -1.069 -8.181 5.309 1.00 0.00 H new ATOM 0 HA ASN A 491 1.201 -9.226 4.036 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.252 -10.403 5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -1.365 -10.336 5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -1.129 -13.533 3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -2.094 -12.253 4.566 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.478 -9.099 2.197 1.00 0.00 N ATOM 1007 CA VAL A 492 -2.006 -9.284 0.851 1.00 0.00 C ATOM 1008 C VAL A 492 -1.831 -8.022 0.005 1.00 0.00 C ATOM 1009 O VAL A 492 -2.075 -8.038 -1.200 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.499 -9.665 0.898 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.278 -8.657 1.731 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.077 -9.774 -0.508 1.00 0.00 C ATOM 0 H VAL A 492 -2.088 -8.564 2.815 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.441 -10.094 0.390 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.589 -10.643 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.330 -8.940 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.884 -8.642 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -4.179 -7.666 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.131 -10.044 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.976 -8.816 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.538 -10.540 -1.065 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.418 -6.929 0.637 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.222 -5.674 -0.070 1.00 0.00 C ATOM 1024 C LEU A 493 0.226 -5.527 -0.527 1.00 0.00 C ATOM 1025 O LEU A 493 0.498 -5.068 -1.636 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.616 -4.492 0.826 1.00 0.00 C ATOM 1027 CG LEU A 493 -1.554 -3.106 0.168 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.910 -3.174 -1.309 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -2.481 -2.138 0.888 1.00 0.00 C ATOM 0 H LEU A 493 -1.213 -6.889 1.635 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.861 -5.678 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.631 -4.657 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.963 -4.489 1.699 1.00 0.00 H new ATOM 0 HG LEU A 493 -0.529 -2.745 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.856 -2.175 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.208 -3.831 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.921 -3.564 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -2.427 -1.159 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -3.505 -2.510 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -2.177 -2.050 1.931 1.00 0.00 H new ATOM 1041 N ALA A 494 1.153 -5.925 0.337 1.00 0.00 N ATOM 1042 CA ALA A 494 2.575 -5.840 0.028 1.00 0.00 C ATOM 1043 C ALA A 494 2.895 -6.524 -1.294 1.00 0.00 C ATOM 1044 O ALA A 494 3.637 -5.991 -2.118 1.00 0.00 O ATOM 1045 CB ALA A 494 3.389 -6.470 1.145 1.00 0.00 C ATOM 0 H ALA A 494 0.945 -6.310 1.258 1.00 0.00 H new ATOM 0 HA ALA A 494 2.837 -4.786 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.450 -6.402 0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.194 -5.943 2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.108 -7.518 1.253 1.00 0.00 H new ATOM 1051 N GLN A 495 2.338 -7.712 -1.478 1.00 0.00 N ATOM 1052 CA GLN A 495 2.559 -8.490 -2.682 1.00 0.00 C ATOM 1053 C GLN A 495 2.122 -7.739 -3.936 1.00 0.00 C ATOM 1054 O GLN A 495 2.734 -7.869 -4.993 1.00 0.00 O ATOM 1055 CB GLN A 495 1.817 -9.820 -2.588 1.00 0.00 C ATOM 1056 CG GLN A 495 0.498 -9.738 -1.852 1.00 0.00 C ATOM 1057 CD GLN A 495 -0.643 -10.374 -2.619 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -1.556 -9.544 -3.104 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.704 -11.593 -2.775 1.00 0.00 N flip ATOM 0 H GLN A 495 1.723 -8.160 -0.798 1.00 0.00 H new ATOM 0 HA GLN A 495 3.631 -8.672 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.637 -10.196 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 495 2.457 -10.546 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 495 0.597 -10.228 -0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 495 0.260 -8.692 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 495 0.021 -12.194 -2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.480 -12.002 -3.295 1.00 0.00 H new ATOM 1068 N ILE A 496 1.046 -6.975 -3.823 1.00 0.00 N ATOM 1069 CA ILE A 496 0.518 -6.232 -4.957 1.00 0.00 C ATOM 1070 C ILE A 496 1.253 -4.908 -5.203 1.00 0.00 C ATOM 1071 O ILE A 496 1.351 -4.452 -6.343 1.00 0.00 O ATOM 1072 CB ILE A 496 -0.982 -5.935 -4.777 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -1.807 -7.194 -5.037 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.410 -4.823 -5.716 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.049 -7.291 -4.177 1.00 0.00 C ATOM 0 H ILE A 496 0.521 -6.853 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 496 0.674 -6.874 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.154 -5.613 -3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.099 -7.217 -6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.183 -8.070 -4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.473 -4.621 -5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.838 -3.921 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.227 -5.127 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.586 -8.209 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.763 -7.300 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.693 -6.433 -4.371 1.00 0.00 H new ATOM 1087 N LEU A 497 1.737 -4.275 -4.143 1.00 0.00 N ATOM 1088 CA LEU A 497 2.421 -2.994 -4.269 1.00 0.00 C ATOM 1089 C LEU A 497 3.527 -3.029 -5.327 1.00 0.00 C ATOM 1090 O LEU A 497 3.624 -2.132 -6.164 1.00 0.00 O ATOM 1091 CB LEU A 497 3.002 -2.582 -2.919 1.00 0.00 C ATOM 1092 CG LEU A 497 2.128 -1.638 -2.088 1.00 0.00 C ATOM 1093 CD1 LEU A 497 1.865 -0.329 -2.820 1.00 0.00 C ATOM 1094 CD2 LEU A 497 0.820 -2.311 -1.726 1.00 0.00 C ATOM 0 H LEU A 497 1.669 -4.626 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 497 1.684 -2.260 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 497 3.192 -3.482 -2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 497 3.966 -2.102 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 497 2.671 -1.403 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.242 0.316 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 497 2.812 0.170 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.352 -0.534 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.210 -1.627 -1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.285 -2.580 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.022 -3.211 -1.145 1.00 0.00 H new ATOM 1106 N LYS A 498 4.376 -4.050 -5.270 1.00 0.00 N ATOM 1107 CA LYS A 498 5.490 -4.174 -6.212 1.00 0.00 C ATOM 1108 C LYS A 498 5.011 -4.309 -7.652 1.00 0.00 C ATOM 1109 O LYS A 498 5.673 -3.847 -8.581 1.00 0.00 O ATOM 1110 CB LYS A 498 6.379 -5.360 -5.848 1.00 0.00 C ATOM 1111 CG LYS A 498 5.647 -6.692 -5.825 1.00 0.00 C ATOM 1112 CD LYS A 498 5.245 -7.091 -4.412 1.00 0.00 C ATOM 1113 CE LYS A 498 6.435 -7.062 -3.455 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.585 -8.350 -2.726 1.00 0.00 N ATOM 0 H LYS A 498 4.317 -4.803 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 498 6.070 -3.254 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.200 -5.420 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.822 -5.183 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 498 4.758 -6.629 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.285 -7.465 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.470 -6.415 -4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.814 -8.092 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.347 -6.852 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.306 -6.251 -2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.441 -8.318 -2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.754 -8.505 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 6.665 -9.129 -3.410 1.00 0.00 H new ATOM 1128 N ARG A 499 3.861 -4.938 -7.832 1.00 0.00 N ATOM 1129 CA ARG A 499 3.298 -5.126 -9.170 1.00 0.00 C ATOM 1130 C ARG A 499 3.100 -3.782 -9.860 1.00 0.00 C ATOM 1131 O ARG A 499 3.047 -3.702 -11.088 1.00 0.00 O ATOM 1132 CB ARG A 499 1.957 -5.866 -9.108 1.00 0.00 C ATOM 1133 CG ARG A 499 1.864 -6.893 -7.993 1.00 0.00 C ATOM 1134 CD ARG A 499 3.003 -7.890 -8.049 1.00 0.00 C ATOM 1135 NE ARG A 499 2.618 -9.129 -8.724 1.00 0.00 N ATOM 1136 CZ ARG A 499 2.684 -9.312 -10.041 1.00 0.00 C ATOM 1137 NH1 ARG A 499 3.117 -8.341 -10.836 1.00 0.00 N ATOM 1138 NH2 ARG A 499 2.314 -10.472 -10.567 1.00 0.00 N ATOM 0 H ARG A 499 3.297 -5.327 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 499 4.005 -5.727 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 499 1.157 -5.136 -8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.786 -6.365 -10.062 1.00 0.00 H new ATOM 0 HG2 ARG A 499 1.873 -6.384 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 499 0.914 -7.422 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 499 3.850 -7.443 -8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 499 3.335 -8.118 -7.036 1.00 0.00 H new ATOM 0 HE ARG A 499 2.278 -9.901 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.402 -7.446 -10.439 1.00 0.00 H new ATOM 0 HH12 ARG A 499 3.164 -8.490 -11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 499 1.979 -11.222 -9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 499 2.364 -10.614 -11.576 1.00 0.00 H new ATOM 1152 N LEU A 500 2.983 -2.732 -9.058 1.00 0.00 N ATOM 1153 CA LEU A 500 2.779 -1.388 -9.574 1.00 0.00 C ATOM 1154 C LEU A 500 3.920 -0.954 -10.476 1.00 0.00 C ATOM 1155 O LEU A 500 3.700 -0.420 -11.564 1.00 0.00 O ATOM 1156 CB LEU A 500 2.639 -0.405 -8.415 1.00 0.00 C ATOM 1157 CG LEU A 500 1.537 -0.749 -7.415 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.626 0.147 -6.187 1.00 0.00 C ATOM 1159 CD2 LEU A 500 0.172 -0.633 -8.079 1.00 0.00 C ATOM 0 H LEU A 500 3.027 -2.788 -8.040 1.00 0.00 H new ATOM 0 HA LEU A 500 1.865 -1.395 -10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.589 -0.353 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.446 0.588 -8.820 1.00 0.00 H new ATOM 0 HG LEU A 500 1.672 -1.779 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.832 -0.115 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.594 0.009 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.516 1.189 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.606 -0.880 -7.357 1.00 0.00 H new ATOM 0 HD22 LEU A 500 0.026 0.387 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 500 0.118 -1.322 -8.922 1.00 0.00 H new ATOM 1171 N ASN A 501 5.137 -1.169 -10.010 1.00 0.00 N ATOM 1172 CA ASN A 501 6.317 -0.782 -10.760 1.00 0.00 C ATOM 1173 C ASN A 501 6.247 0.708 -11.084 1.00 0.00 C ATOM 1174 O ASN A 501 6.272 1.108 -12.247 1.00 0.00 O ATOM 1175 CB ASN A 501 6.419 -1.616 -12.039 1.00 0.00 C ATOM 1176 CG ASN A 501 7.564 -1.191 -12.932 1.00 0.00 C ATOM 1177 OD1 ASN A 501 7.397 -0.368 -13.833 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.735 -1.760 -12.687 1.00 0.00 N ATOM 0 H ASN A 501 5.334 -1.611 -9.112 1.00 0.00 H new ATOM 0 HA ASN A 501 7.209 -0.967 -10.162 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.543 -2.666 -11.773 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.484 -1.536 -12.594 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.547 -1.521 -13.256 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.825 -2.437 -11.929 1.00 0.00 H new ATOM 1185 N PRO A 502 6.143 1.550 -10.041 1.00 0.00 N ATOM 1186 CA PRO A 502 6.054 2.985 -10.171 1.00 0.00 C ATOM 1187 C PRO A 502 7.385 3.653 -9.880 1.00 0.00 C ATOM 1188 O PRO A 502 8.435 3.010 -9.906 1.00 0.00 O ATOM 1189 CB PRO A 502 5.038 3.321 -9.077 1.00 0.00 C ATOM 1190 CG PRO A 502 5.229 2.269 -8.021 1.00 0.00 C ATOM 1191 CD PRO A 502 6.100 1.187 -8.624 1.00 0.00 C ATOM 0 HA PRO A 502 5.778 3.320 -11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 502 5.210 4.319 -8.674 1.00 0.00 H new ATOM 0 HB3 PRO A 502 4.020 3.306 -9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.700 2.694 -7.135 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.269 1.860 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 502 7.095 1.176 -8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.673 0.195 -8.474 1.00 0.00 H new ATOM 1199 N GLU A 503 7.332 4.936 -9.580 1.00 0.00 N ATOM 1200 CA GLU A 503 8.521 5.687 -9.258 1.00 0.00 C ATOM 1201 C GLU A 503 8.416 6.226 -7.842 1.00 0.00 C ATOM 1202 O GLU A 503 7.339 6.631 -7.404 1.00 0.00 O ATOM 1203 CB GLU A 503 8.711 6.819 -10.258 1.00 0.00 C ATOM 1204 CG GLU A 503 9.804 6.542 -11.275 1.00 0.00 C ATOM 1205 CD GLU A 503 11.034 7.403 -11.063 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.467 7.541 -9.899 1.00 0.00 O ATOM 1207 OE2 GLU A 503 11.562 7.941 -12.058 1.00 0.00 O ATOM 0 H GLU A 503 6.470 5.480 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 503 9.391 5.033 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.771 6.993 -10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.950 7.736 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 503 10.088 5.491 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 503 9.413 6.715 -12.278 1.00 0.00 H new ATOM 1214 N ARG A 504 9.525 6.211 -7.119 1.00 0.00 N ATOM 1215 CA ARG A 504 9.522 6.685 -5.746 1.00 0.00 C ATOM 1216 C ARG A 504 9.573 8.203 -5.684 1.00 0.00 C ATOM 1217 O ARG A 504 10.365 8.847 -6.373 1.00 0.00 O ATOM 1218 CB ARG A 504 10.687 6.085 -4.968 1.00 0.00 C ATOM 1219 CG ARG A 504 12.051 6.529 -5.470 1.00 0.00 C ATOM 1220 CD ARG A 504 13.170 5.750 -4.799 1.00 0.00 C ATOM 1221 NE ARG A 504 13.220 5.992 -3.360 1.00 0.00 N ATOM 1222 CZ ARG A 504 13.980 5.297 -2.516 1.00 0.00 C ATOM 1223 NH1 ARG A 504 14.755 4.317 -2.964 1.00 0.00 N ATOM 1224 NH2 ARG A 504 13.966 5.582 -1.222 1.00 0.00 N ATOM 0 H ARG A 504 10.429 5.879 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 504 8.589 6.360 -5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.590 6.359 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.626 4.998 -5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.106 6.390 -6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 504 12.182 7.594 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 504 13.030 4.685 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 504 14.124 6.028 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 504 12.638 6.738 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.770 4.093 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 504 15.335 3.788 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 504 13.373 6.334 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 504 14.548 5.049 -0.576 1.00 0.00 H new ATOM 1238 N LYS A 505 8.712 8.759 -4.846 1.00 0.00 N ATOM 1239 CA LYS A 505 8.621 10.202 -4.660 1.00 0.00 C ATOM 1240 C LYS A 505 8.025 10.510 -3.295 1.00 0.00 C ATOM 1241 O LYS A 505 7.377 9.658 -2.690 1.00 0.00 O ATOM 1242 CB LYS A 505 7.762 10.841 -5.757 1.00 0.00 C ATOM 1243 CG LYS A 505 7.937 10.205 -7.127 1.00 0.00 C ATOM 1244 CD LYS A 505 7.015 10.839 -8.156 1.00 0.00 C ATOM 1245 CE LYS A 505 5.569 10.427 -7.937 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.624 11.275 -8.715 1.00 0.00 N ATOM 0 H LYS A 505 8.057 8.225 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 505 9.626 10.620 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.713 10.775 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 505 8.007 11.901 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.973 10.312 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.732 9.136 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 505 7.098 11.924 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 505 7.330 10.546 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 505 5.442 9.384 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 505 5.329 10.496 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.649 10.961 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.727 12.268 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.836 11.190 -9.730 1.00 0.00 H new ATOM 1260 N MET A 506 8.243 11.724 -2.807 1.00 0.00 N ATOM 1261 CA MET A 506 7.718 12.114 -1.507 1.00 0.00 C ATOM 1262 C MET A 506 6.519 13.047 -1.645 1.00 0.00 C ATOM 1263 O MET A 506 6.661 14.205 -2.037 1.00 0.00 O ATOM 1264 CB MET A 506 8.806 12.783 -0.667 1.00 0.00 C ATOM 1265 CG MET A 506 9.553 13.889 -1.395 1.00 0.00 C ATOM 1266 SD MET A 506 10.117 15.194 -0.284 1.00 0.00 S ATOM 1267 CE MET A 506 10.583 14.240 1.161 1.00 0.00 C ATOM 0 H MET A 506 8.775 12.450 -3.287 1.00 0.00 H new ATOM 0 HA MET A 506 7.385 11.207 -1.003 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.353 13.196 0.234 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.521 12.025 -0.346 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.412 13.462 -1.913 1.00 0.00 H new ATOM 0 HG3 MET A 506 8.903 14.321 -2.156 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.190 14.857 1.824 1.00 0.00 H new ATOM 0 HE2 MET A 506 9.686 13.915 1.688 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.157 13.367 0.851 1.00 0.00 H new ATOM 1277 N ILE A 507 5.339 12.540 -1.298 1.00 0.00 N ATOM 1278 CA ILE A 507 4.118 13.334 -1.360 1.00 0.00 C ATOM 1279 C ILE A 507 3.889 14.035 -0.023 1.00 0.00 C ATOM 1280 O ILE A 507 3.592 13.392 0.983 1.00 0.00 O ATOM 1281 CB ILE A 507 2.875 12.462 -1.697 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.860 12.012 -3.173 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.597 13.224 -1.385 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.842 12.746 -4.061 1.00 0.00 C ATOM 0 H ILE A 507 5.204 11.583 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 507 4.245 14.068 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 507 2.934 11.568 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.077 10.945 -3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.855 12.150 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.735 12.602 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.576 13.480 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.563 14.137 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.764 12.367 -5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.614 13.812 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.855 12.588 -3.691 1.00 0.00 H new ATOM 1296 N ASN A 508 4.032 15.356 -0.018 1.00 0.00 N ATOM 1297 CA ASN A 508 3.843 16.138 1.198 1.00 0.00 C ATOM 1298 C ASN A 508 4.817 15.691 2.285 1.00 0.00 C ATOM 1299 O ASN A 508 4.439 15.530 3.445 1.00 0.00 O ATOM 1300 CB ASN A 508 2.404 16.004 1.697 1.00 0.00 C ATOM 1301 CG ASN A 508 1.927 17.244 2.428 1.00 0.00 C ATOM 1302 OD1 ASN A 508 1.060 17.971 1.943 1.00 0.00 O ATOM 1303 ND2 ASN A 508 2.495 17.493 3.603 1.00 0.00 N ATOM 0 H ASN A 508 4.278 15.907 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 508 4.041 17.184 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 508 1.746 15.809 0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.332 15.143 2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 508 2.216 18.314 4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 508 3.210 16.863 3.967 1.00 0.00 H new ATOM 1310 N ASP A 509 6.074 15.491 1.898 1.00 0.00 N ATOM 1311 CA ASP A 509 7.112 15.060 2.833 1.00 0.00 C ATOM 1312 C ASP A 509 6.917 13.601 3.246 1.00 0.00 C ATOM 1313 O ASP A 509 7.542 13.130 4.197 1.00 0.00 O ATOM 1314 CB ASP A 509 7.119 15.955 4.075 1.00 0.00 C ATOM 1315 CG ASP A 509 8.522 16.234 4.578 1.00 0.00 C ATOM 1316 OD1 ASP A 509 9.264 16.967 3.892 1.00 0.00 O ATOM 1317 OD2 ASP A 509 8.878 15.719 5.659 1.00 0.00 O ATOM 0 H ASP A 509 6.400 15.621 0.940 1.00 0.00 H new ATOM 0 HA ASP A 509 8.072 15.146 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 509 6.625 16.898 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 509 6.540 15.479 4.866 1.00 0.00 H new ATOM 1322 N LYS A 510 6.053 12.888 2.528 1.00 0.00 N ATOM 1323 CA LYS A 510 5.787 11.484 2.826 1.00 0.00 C ATOM 1324 C LYS A 510 6.222 10.592 1.671 1.00 0.00 C ATOM 1325 O LYS A 510 5.896 10.861 0.517 1.00 0.00 O ATOM 1326 CB LYS A 510 4.300 11.268 3.101 1.00 0.00 C ATOM 1327 CG LYS A 510 4.007 9.953 3.803 1.00 0.00 C ATOM 1328 CD LYS A 510 3.963 10.121 5.313 1.00 0.00 C ATOM 1329 CE LYS A 510 5.268 10.684 5.853 1.00 0.00 C ATOM 1330 NZ LYS A 510 5.246 10.816 7.335 1.00 0.00 N ATOM 0 H LYS A 510 5.526 13.259 1.737 1.00 0.00 H new ATOM 0 HA LYS A 510 6.361 11.218 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 510 3.927 12.090 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 510 3.754 11.299 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.054 9.558 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 510 4.771 9.222 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.141 10.785 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 510 3.761 9.158 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.092 10.035 5.559 1.00 0.00 H new ATOM 0 HE3 LYS A 510 5.455 11.660 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 6.154 11.203 7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 4.476 11.456 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.093 9.881 7.765 1.00 0.00 H new ATOM 1344 N MET A 511 6.953 9.525 1.981 1.00 0.00 N ATOM 1345 CA MET A 511 7.412 8.608 0.947 1.00 0.00 C ATOM 1346 C MET A 511 6.226 7.939 0.258 1.00 0.00 C ATOM 1347 O MET A 511 5.551 7.092 0.840 1.00 0.00 O ATOM 1348 CB MET A 511 8.337 7.548 1.549 1.00 0.00 C ATOM 1349 CG MET A 511 9.548 7.238 0.685 1.00 0.00 C ATOM 1350 SD MET A 511 9.208 5.984 -0.565 1.00 0.00 S ATOM 1351 CE MET A 511 8.737 7.011 -1.954 1.00 0.00 C ATOM 0 H MET A 511 7.237 9.277 2.929 1.00 0.00 H new ATOM 0 HA MET A 511 7.968 9.180 0.204 1.00 0.00 H new ATOM 0 HB2 MET A 511 8.676 7.887 2.528 1.00 0.00 H new ATOM 0 HB3 MET A 511 7.770 6.631 1.708 1.00 0.00 H new ATOM 0 HG2 MET A 511 9.883 8.152 0.195 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.366 6.899 1.321 1.00 0.00 H new ATOM 0 HE1 MET A 511 8.081 6.447 -2.617 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.214 7.896 -1.591 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.630 7.316 -2.500 1.00 0.00 H new ATOM 1361 N HIS A 512 5.986 8.332 -0.987 1.00 0.00 N ATOM 1362 CA HIS A 512 4.893 7.791 -1.776 1.00 0.00 C ATOM 1363 C HIS A 512 5.402 7.174 -3.077 1.00 0.00 C ATOM 1364 O HIS A 512 6.071 7.843 -3.865 1.00 0.00 O ATOM 1365 CB HIS A 512 3.895 8.898 -2.121 1.00 0.00 C ATOM 1366 CG HIS A 512 2.899 9.208 -1.048 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.252 9.635 0.215 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.545 9.193 -1.072 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.158 9.869 0.919 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.111 9.608 0.161 1.00 0.00 N ATOM 0 H HIS A 512 6.544 9.033 -1.475 1.00 0.00 H new ATOM 0 HA HIS A 512 4.409 7.018 -1.179 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.450 9.807 -2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.356 8.612 -3.024 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.207 9.752 0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 512 0.923 8.907 -1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.127 10.215 1.942 1.00 0.00 H new ATOM 1379 N PHE A 513 5.062 5.914 -3.315 1.00 0.00 N ATOM 1380 CA PHE A 513 5.466 5.237 -4.540 1.00 0.00 C ATOM 1381 C PHE A 513 4.269 5.117 -5.478 1.00 0.00 C ATOM 1382 O PHE A 513 3.230 4.579 -5.098 1.00 0.00 O ATOM 1383 CB PHE A 513 6.041 3.851 -4.233 1.00 0.00 C ATOM 1384 CG PHE A 513 5.849 3.397 -2.811 1.00 0.00 C ATOM 1385 CD1 PHE A 513 4.662 2.808 -2.406 1.00 0.00 C ATOM 1386 CD2 PHE A 513 6.863 3.560 -1.881 1.00 0.00 C ATOM 1387 CE1 PHE A 513 4.490 2.390 -1.101 1.00 0.00 C ATOM 1388 CE2 PHE A 513 6.697 3.144 -0.575 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.510 2.558 -0.185 1.00 0.00 C ATOM 0 H PHE A 513 4.509 5.341 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 513 6.245 5.826 -5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.577 3.123 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 513 7.107 3.856 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 513 3.862 2.674 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 513 7.794 4.018 -2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 513 3.560 1.933 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 513 7.495 3.277 0.140 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.379 2.231 0.836 1.00 0.00 H new ATOM 1399 N SER A 514 4.403 5.637 -6.698 1.00 0.00 N ATOM 1400 CA SER A 514 3.304 5.591 -7.655 1.00 0.00 C ATOM 1401 C SER A 514 3.687 6.198 -9.004 1.00 0.00 C ATOM 1402 O SER A 514 4.727 6.843 -9.140 1.00 0.00 O ATOM 1403 CB SER A 514 2.098 6.331 -7.079 1.00 0.00 C ATOM 1404 OG SER A 514 1.012 5.448 -6.862 1.00 0.00 O ATOM 0 H SER A 514 5.251 6.089 -7.041 1.00 0.00 H new ATOM 0 HA SER A 514 3.057 4.543 -7.828 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.376 6.808 -6.139 1.00 0.00 H new ATOM 0 HB3 SER A 514 1.794 7.124 -7.762 1.00 0.00 H new ATOM 0 HG SER A 514 0.947 5.238 -5.907 1.00 0.00 H new ATOM 1410 N LEU A 515 2.817 5.995 -9.991 1.00 0.00 N ATOM 1411 CA LEU A 515 3.018 6.521 -11.326 1.00 0.00 C ATOM 1412 C LEU A 515 1.912 7.510 -11.647 1.00 0.00 C ATOM 1413 O LEU A 515 0.926 7.602 -10.916 1.00 0.00 O ATOM 1414 CB LEU A 515 3.035 5.408 -12.380 1.00 0.00 C ATOM 1415 CG LEU A 515 1.784 4.534 -12.407 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.647 3.805 -13.733 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.829 3.549 -11.264 1.00 0.00 C ATOM 0 H LEU A 515 1.955 5.461 -9.881 1.00 0.00 H new ATOM 0 HA LEU A 515 3.988 7.017 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 515 3.167 5.860 -13.363 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.902 4.772 -12.202 1.00 0.00 H new ATOM 0 HG LEU A 515 0.911 5.177 -12.295 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.746 3.191 -13.719 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.579 4.532 -14.542 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.518 3.168 -13.890 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.935 2.926 -11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.713 2.919 -11.362 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.872 4.090 -10.319 1.00 0.00 H new ATOM 1429 N LYS A 516 2.063 8.247 -12.735 1.00 0.00 N ATOM 1430 CA LYS A 516 1.052 9.212 -13.119 1.00 0.00 C ATOM 1431 C LYS A 516 0.754 9.139 -14.611 1.00 0.00 C ATOM 1432 O LYS A 516 1.553 9.576 -15.440 1.00 0.00 O ATOM 1433 CB LYS A 516 1.460 10.626 -12.717 1.00 0.00 C ATOM 1434 CG LYS A 516 2.823 10.690 -12.070 1.00 0.00 C ATOM 1435 CD LYS A 516 3.914 10.379 -13.074 1.00 0.00 C ATOM 1436 CE LYS A 516 5.053 9.598 -12.439 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.912 8.939 -13.461 1.00 0.00 N ATOM 0 H LYS A 516 2.867 8.196 -13.360 1.00 0.00 H new ATOM 0 HA LYS A 516 0.137 8.959 -12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.454 11.264 -13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.718 11.029 -12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 516 2.983 11.682 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.871 9.981 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.495 9.805 -13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.299 11.309 -13.493 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.660 10.270 -11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.645 8.843 -11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.677 8.417 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 5.338 8.278 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 6.322 9.661 -14.087 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.407 8.581 -14.941 1.00 0.00 N ATOM 1452 CA GLU A 517 -0.827 8.444 -16.323 1.00 0.00 C ATOM 1453 C GLU A 517 -0.869 9.800 -17.022 1.00 0.00 C ATOM 1454 O GLU A 517 -0.843 9.821 -18.270 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.201 7.783 -16.373 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.197 8.369 -15.383 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.629 7.993 -15.707 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -4.910 7.677 -16.882 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.471 8.014 -14.784 1.00 0.00 O ATOM 1460 OXT GLU A 517 -0.929 10.827 -16.315 1.00 0.00 O ATOM 0 H GLU A 517 -1.074 8.216 -14.262 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.102 7.820 -16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -2.604 7.879 -17.381 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.089 6.717 -16.175 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -2.952 8.023 -14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -3.102 9.455 -15.378 1.00 0.00 H new TER 1467 GLU A 517