USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 832 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 648 GLN : amide:sc= -2.15! K(o=-2.1!,f=-1) USER MOD Set 1.2: A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 585 SER OG : rot -44:sc= 0.143 USER MOD Set 2.2: A 588 TYR OH : rot 180:sc= -1.64! USER MOD Set 2.3: A 622 GLN : amide:sc= -4.57! C(o=-6.1!,f=-9.2!) USER MOD Set 3.1: A 579 ASN : amide:sc= -6.07! C(o=-8.6!,f=-7.3!) USER MOD Set 3.2: A 581 ASN : amide:sc= -2.54! C(o=-8.6!,f=-8.8!) USER MOD Set 4.1: A 556 CYS SG : rot 167:sc= 1.67 USER MOD Set 4.2: A 559 CYS SG : rot -13:sc= -20.3! USER MOD Set 4.3: A 612 CYS SG : rot 145:sc= -0.626 USER MOD Set 4.4: A 615 CYS SG : rot 48:sc= -23.7! USER MOD Set 5.1: A 553 GLN : amide:sc= -0.565 K(o=-1.7,f=-2.9!) USER MOD Set 5.2: A 565 HIS : no HD1:sc= -1.15 K(o=-1.7,f=-0.65) USER MOD Single : A 546 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.048) USER MOD Single : A 551 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2) USER MOD Single : A 558 ASN : amide:sc= -0.0628 K(o=-0.063,f=-0.82) USER MOD Single : A 560 MET CE :methyl 137:sc= -0.209 (180deg=-0.827) USER MOD Single : A 567 SER OG : rot -46:sc= -0.381 USER MOD Single : A 571 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 576 HIS : no HD1:sc= -2.76! C(o=-2.8!,f=-3.4!) USER MOD Single : A 577 HIS : no HE2:sc= -10.3! C(o=-10!,f=-9.5!) USER MOD Single : A 583 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.22) USER MOD Single : A 586 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 587 TYR OH : rot -78:sc= 0.858 USER MOD Single : A 589 ASN : amide:sc= -0.632 K(o=-0.63,f=-0.1) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 SER OG : rot 73:sc= 0.00278 USER MOD Single : A 614 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.4!) USER MOD Single : A 623 MET CE :methyl -160:sc= -1.64 (180deg=-3.25!) USER MOD Single : A 625 TYR OH : rot 180:sc= 0 USER MOD Single : A 626 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -53:sc= 0.585 USER MOD Single : A 629 LYS NZ :NH3+ -157:sc= -0.0434 (180deg=-0.347) USER MOD Single : A 634 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 637 SER OG : rot 180:sc= -1.06 USER MOD Single : A 638 MET CE :methyl -177:sc= -8.85! (180deg=-9.13!) USER MOD Single : A 642 THR OG1 : rot -87:sc= 1.13 USER MOD Single : A 644 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.19) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 SER OG : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 5.049 -6.070 2.763 1.00 63.32 N ATOM 57 CA GLN A 546 5.701 -6.953 3.715 1.00 32.51 C ATOM 58 C GLN A 546 4.694 -7.446 4.757 1.00 3.41 C ATOM 59 O GLN A 546 3.609 -6.882 4.892 1.00 61.34 O ATOM 60 CB GLN A 546 6.888 -6.258 4.385 1.00 55.11 C ATOM 61 CG GLN A 546 8.156 -6.405 3.542 1.00 1.03 C ATOM 62 CD GLN A 546 9.164 -5.302 3.872 1.00 23.43 C ATOM 63 OE1 GLN A 546 10.311 -5.553 4.205 1.00 31.34 O ATOM 64 NE2 GLN A 546 8.675 -4.071 3.761 1.00 13.25 N ATOM 0 HA GLN A 546 6.087 -7.817 3.174 1.00 32.51 H new ATOM 0 HB2 GLN A 546 6.662 -5.201 4.528 1.00 55.11 H new ATOM 0 HB3 GLN A 546 7.053 -6.685 5.374 1.00 55.11 H new ATOM 0 HG2 GLN A 546 8.607 -7.381 3.723 1.00 1.03 H new ATOM 0 HG3 GLN A 546 7.900 -6.364 2.483 1.00 1.03 H new ATOM 0 HE21 GLN A 546 7.705 -3.931 3.477 1.00 13.25 H new ATOM 0 HE22 GLN A 546 9.270 -3.266 3.959 1.00 13.25 H new ATOM 73 N PHE A 547 5.090 -8.491 5.468 1.00 61.32 N ATOM 74 CA PHE A 547 4.236 -9.066 6.494 1.00 42.43 C ATOM 75 C PHE A 547 5.040 -9.961 7.438 1.00 22.33 C ATOM 76 O PHE A 547 5.270 -11.133 7.143 1.00 45.22 O ATOM 77 CB PHE A 547 3.185 -9.915 5.777 1.00 52.25 C ATOM 78 CG PHE A 547 2.291 -9.122 4.821 1.00 51.12 C ATOM 79 CD1 PHE A 547 1.144 -8.552 5.278 1.00 52.01 C ATOM 80 CD2 PHE A 547 2.643 -8.987 3.514 1.00 25.12 C ATOM 81 CE1 PHE A 547 0.314 -7.816 4.391 1.00 62.11 C ATOM 82 CE2 PHE A 547 1.814 -8.251 2.627 1.00 31.33 C ATOM 83 CZ PHE A 547 0.667 -7.681 3.084 1.00 32.33 C ATOM 0 H PHE A 547 5.991 -8.955 5.354 1.00 61.32 H new ATOM 0 HA PHE A 547 3.782 -8.273 7.088 1.00 42.43 H new ATOM 0 HB2 PHE A 547 3.689 -10.703 5.217 1.00 52.25 H new ATOM 0 HB3 PHE A 547 2.558 -10.405 6.522 1.00 52.25 H new ATOM 0 HD1 PHE A 547 0.864 -8.659 6.316 1.00 52.01 H new ATOM 0 HD2 PHE A 547 3.554 -9.440 3.151 1.00 25.12 H new ATOM 0 HE1 PHE A 547 -0.597 -7.364 4.754 1.00 62.11 H new ATOM 0 HE2 PHE A 547 2.094 -8.144 1.590 1.00 31.33 H new ATOM 0 HZ PHE A 547 0.036 -7.121 2.409 1.00 32.33 H new ATOM 93 N PRO A 548 5.456 -9.360 8.585 1.00 20.22 N ATOM 94 CA PRO A 548 6.229 -10.091 9.575 1.00 44.50 C ATOM 95 C PRO A 548 5.341 -11.056 10.362 1.00 12.21 C ATOM 96 O PRO A 548 4.178 -10.757 10.630 1.00 2.40 O ATOM 97 CB PRO A 548 6.862 -9.019 10.448 1.00 23.52 C ATOM 98 CG PRO A 548 6.055 -7.754 10.207 1.00 32.44 C ATOM 99 CD PRO A 548 5.202 -7.975 8.969 1.00 51.43 C ATOM 0 HA PRO A 548 6.994 -10.725 9.127 1.00 44.50 H new ATOM 0 HB2 PRO A 548 6.835 -9.305 11.499 1.00 23.52 H new ATOM 0 HB3 PRO A 548 7.909 -8.870 10.186 1.00 23.52 H new ATOM 0 HG2 PRO A 548 5.426 -7.532 11.069 1.00 32.44 H new ATOM 0 HG3 PRO A 548 6.717 -6.900 10.067 1.00 32.44 H new ATOM 0 HD2 PRO A 548 4.146 -7.811 9.182 1.00 51.43 H new ATOM 0 HD3 PRO A 548 5.477 -7.286 8.170 1.00 51.43 H new ATOM 107 N VAL A 549 5.922 -12.194 10.711 1.00 61.23 N ATOM 108 CA VAL A 549 5.198 -13.205 11.462 1.00 75.11 C ATOM 109 C VAL A 549 4.632 -12.578 12.738 1.00 70.40 C ATOM 110 O VAL A 549 3.480 -12.820 13.094 1.00 13.24 O ATOM 111 CB VAL A 549 6.107 -14.404 11.737 1.00 31.52 C ATOM 112 CG1 VAL A 549 6.507 -15.099 10.434 1.00 24.23 C ATOM 113 CG2 VAL A 549 7.342 -13.984 12.537 1.00 73.03 C ATOM 0 H VAL A 549 6.887 -12.438 10.487 1.00 61.23 H new ATOM 0 HA VAL A 549 4.355 -13.580 10.882 1.00 75.11 H new ATOM 0 HB VAL A 549 5.546 -15.119 12.339 1.00 31.52 H new ATOM 0 HG11 VAL A 549 7.153 -15.948 10.658 1.00 24.23 H new ATOM 0 HG12 VAL A 549 5.612 -15.450 9.919 1.00 24.23 H new ATOM 0 HG13 VAL A 549 7.041 -14.395 9.795 1.00 24.23 H new ATOM 0 HG21 VAL A 549 7.971 -14.855 12.719 1.00 73.03 H new ATOM 0 HG22 VAL A 549 7.905 -13.241 11.973 1.00 73.03 H new ATOM 0 HG23 VAL A 549 7.030 -13.556 13.490 1.00 73.03 H new ATOM 123 N GLU A 550 5.469 -11.786 13.391 1.00 0.20 N ATOM 124 CA GLU A 550 5.067 -11.123 14.620 1.00 50.42 C ATOM 125 C GLU A 550 3.821 -10.268 14.378 1.00 2.24 C ATOM 126 O GLU A 550 3.122 -9.903 15.322 1.00 0.14 O ATOM 127 CB GLU A 550 6.210 -10.278 15.186 1.00 30.13 C ATOM 128 CG GLU A 550 6.880 -9.453 14.086 1.00 52.13 C ATOM 129 CD GLU A 550 7.594 -8.233 14.672 1.00 33.43 C ATOM 130 OE1 GLU A 550 7.179 -7.092 14.421 1.00 21.11 O ATOM 131 OE2 GLU A 550 8.614 -8.503 15.415 1.00 74.44 O ATOM 0 H GLU A 550 6.424 -11.588 13.092 1.00 0.20 H new ATOM 0 HA GLU A 550 4.823 -11.886 15.359 1.00 50.42 H new ATOM 0 HB2 GLU A 550 5.827 -9.614 15.961 1.00 30.13 H new ATOM 0 HB3 GLU A 550 6.947 -10.927 15.659 1.00 30.13 H new ATOM 0 HG2 GLU A 550 7.596 -10.073 13.547 1.00 52.13 H new ATOM 0 HG3 GLU A 550 6.131 -9.128 13.363 1.00 52.13 H new ATOM 139 N HIS A 551 3.581 -9.973 13.109 1.00 24.21 N ATOM 140 CA HIS A 551 2.432 -9.168 12.732 1.00 61.21 C ATOM 141 C HIS A 551 1.322 -10.076 12.198 1.00 24.31 C ATOM 142 O HIS A 551 0.150 -9.705 12.214 1.00 51.11 O ATOM 143 CB HIS A 551 2.836 -8.078 11.737 1.00 14.24 C ATOM 144 CG HIS A 551 3.305 -6.798 12.387 1.00 51.33 C ATOM 145 ND1 HIS A 551 3.625 -5.663 11.662 1.00 51.11 N ATOM 146 CD2 HIS A 551 3.504 -6.485 13.699 1.00 12.04 C ATOM 147 CE1 HIS A 551 3.999 -4.717 12.510 1.00 1.51 C ATOM 148 NE2 HIS A 551 3.924 -5.228 13.772 1.00 31.13 N ATOM 0 H HIS A 551 4.163 -10.277 12.329 1.00 24.21 H new ATOM 0 HA HIS A 551 2.041 -8.652 13.609 1.00 61.21 H new ATOM 0 HB2 HIS A 551 3.631 -8.461 11.097 1.00 14.24 H new ATOM 0 HB3 HIS A 551 1.986 -7.856 11.092 1.00 14.24 H new ATOM 0 HD2 HIS A 551 3.347 -7.148 14.537 1.00 12.04 H new ATOM 0 HE1 HIS A 551 4.309 -3.716 12.248 1.00 1.51 H new ATOM 0 HE2 HIS A 551 4.153 -4.727 14.630 1.00 31.13 H new ATOM 156 N VAL A 552 1.732 -11.249 11.738 1.00 31.42 N ATOM 157 CA VAL A 552 0.787 -12.214 11.201 1.00 41.44 C ATOM 158 C VAL A 552 0.272 -13.103 12.334 1.00 22.10 C ATOM 159 O VAL A 552 1.059 -13.652 13.104 1.00 43.23 O ATOM 160 CB VAL A 552 1.438 -13.008 10.066 1.00 1.42 C ATOM 161 CG1 VAL A 552 0.567 -14.198 9.660 1.00 51.21 C ATOM 162 CG2 VAL A 552 1.731 -12.107 8.865 1.00 43.14 C ATOM 0 H VAL A 552 2.706 -11.553 11.726 1.00 31.42 H new ATOM 0 HA VAL A 552 -0.075 -11.705 10.771 1.00 41.44 H new ATOM 0 HB VAL A 552 2.388 -13.398 10.431 1.00 1.42 H new ATOM 0 HG11 VAL A 552 1.052 -14.745 8.852 1.00 51.21 H new ATOM 0 HG12 VAL A 552 0.432 -14.859 10.516 1.00 51.21 H new ATOM 0 HG13 VAL A 552 -0.405 -13.839 9.322 1.00 51.21 H new ATOM 0 HG21 VAL A 552 2.193 -12.696 8.073 1.00 43.14 H new ATOM 0 HG22 VAL A 552 0.800 -11.674 8.499 1.00 43.14 H new ATOM 0 HG23 VAL A 552 2.409 -11.308 9.166 1.00 43.14 H new ATOM 172 N GLN A 553 -1.046 -13.218 12.401 1.00 60.24 N ATOM 173 CA GLN A 553 -1.675 -14.032 13.427 1.00 12.21 C ATOM 174 C GLN A 553 -2.460 -15.179 12.788 1.00 23.40 C ATOM 175 O GLN A 553 -2.981 -15.040 11.683 1.00 43.15 O ATOM 176 CB GLN A 553 -2.579 -13.182 14.323 1.00 63.02 C ATOM 177 CG GLN A 553 -3.000 -13.959 15.572 1.00 60.13 C ATOM 178 CD GLN A 553 -3.265 -13.012 16.744 1.00 42.34 C ATOM 179 OE1 GLN A 553 -2.528 -12.963 17.715 1.00 72.40 O ATOM 180 NE2 GLN A 553 -4.355 -12.263 16.599 1.00 63.44 N ATOM 0 H GLN A 553 -1.696 -12.761 11.761 1.00 60.24 H new ATOM 0 HA GLN A 553 -0.893 -14.459 14.055 1.00 12.21 H new ATOM 0 HB2 GLN A 553 -2.055 -12.272 14.616 1.00 63.02 H new ATOM 0 HB3 GLN A 553 -3.464 -12.875 13.766 1.00 63.02 H new ATOM 0 HG2 GLN A 553 -3.898 -14.539 15.358 1.00 60.13 H new ATOM 0 HG3 GLN A 553 -2.219 -14.669 15.843 1.00 60.13 H new ATOM 0 HE21 GLN A 553 -4.928 -12.354 15.760 1.00 63.44 H new ATOM 0 HE22 GLN A 553 -4.617 -11.598 17.326 1.00 63.44 H new ATOM 189 N LEU A 554 -2.519 -16.288 13.511 1.00 13.12 N ATOM 190 CA LEU A 554 -3.231 -17.459 13.029 1.00 55.14 C ATOM 191 C LEU A 554 -4.675 -17.417 13.535 1.00 63.24 C ATOM 192 O LEU A 554 -4.918 -17.514 14.736 1.00 20.05 O ATOM 193 CB LEU A 554 -2.482 -18.737 13.411 1.00 34.02 C ATOM 194 CG LEU A 554 -1.258 -19.077 12.559 1.00 24.15 C ATOM 195 CD1 LEU A 554 -1.102 -20.591 12.403 1.00 53.05 C ATOM 196 CD2 LEU A 554 -1.315 -18.364 11.207 1.00 1.53 C ATOM 0 H LEU A 554 -2.085 -16.400 14.427 1.00 13.12 H new ATOM 0 HA LEU A 554 -3.274 -17.457 11.940 1.00 55.14 H new ATOM 0 HB2 LEU A 554 -2.164 -18.651 14.450 1.00 34.02 H new ATOM 0 HB3 LEU A 554 -3.180 -19.573 13.359 1.00 34.02 H new ATOM 0 HG LEU A 554 -0.370 -18.714 13.077 1.00 24.15 H new ATOM 0 HD11 LEU A 554 -0.224 -20.805 11.793 1.00 53.05 H new ATOM 0 HD12 LEU A 554 -0.981 -21.047 13.385 1.00 53.05 H new ATOM 0 HD13 LEU A 554 -1.989 -21.000 11.919 1.00 53.05 H new ATOM 0 HD21 LEU A 554 -0.433 -18.623 10.621 1.00 1.53 H new ATOM 0 HD22 LEU A 554 -2.211 -18.674 10.670 1.00 1.53 H new ATOM 0 HD23 LEU A 554 -1.342 -17.286 11.365 1.00 1.53 H new ATOM 208 N LEU A 555 -5.595 -17.273 12.592 1.00 4.21 N ATOM 209 CA LEU A 555 -7.007 -17.217 12.927 1.00 33.03 C ATOM 210 C LEU A 555 -7.792 -18.105 11.960 1.00 71.41 C ATOM 211 O LEU A 555 -7.247 -18.701 11.031 1.00 51.41 O ATOM 212 CB LEU A 555 -7.493 -15.767 12.962 1.00 41.51 C ATOM 213 CG LEU A 555 -6.465 -14.726 13.411 1.00 51.34 C ATOM 214 CD1 LEU A 555 -5.727 -14.131 12.210 1.00 50.02 C ATOM 215 CD2 LEU A 555 -7.120 -13.645 14.273 1.00 21.15 C ATOM 0 H LEU A 555 -5.389 -17.193 11.596 1.00 4.21 H new ATOM 0 HA LEU A 555 -7.176 -17.610 13.930 1.00 33.03 H new ATOM 0 HB2 LEU A 555 -7.842 -15.497 11.965 1.00 41.51 H new ATOM 0 HB3 LEU A 555 -8.354 -15.709 13.628 1.00 41.51 H new ATOM 0 HG LEU A 555 -5.721 -15.226 14.031 1.00 51.34 H new ATOM 0 HD11 LEU A 555 -5.002 -13.394 12.557 1.00 50.02 H new ATOM 0 HD12 LEU A 555 -5.208 -14.925 11.672 1.00 50.02 H new ATOM 0 HD13 LEU A 555 -6.444 -13.650 11.545 1.00 50.02 H new ATOM 0 HD21 LEU A 555 -6.368 -12.918 14.579 1.00 21.15 H new ATOM 0 HD22 LEU A 555 -7.898 -13.142 13.698 1.00 21.15 H new ATOM 0 HD23 LEU A 555 -7.562 -14.103 15.158 1.00 21.15 H new ATOM 227 N CYS A 556 -9.097 -18.182 12.201 1.00 73.32 N ATOM 228 CA CYS A 556 -9.982 -18.989 11.369 1.00 15.43 C ATOM 229 C CYS A 556 -10.771 -18.110 10.402 1.00 34.34 C ATOM 230 O CYS A 556 -11.738 -17.474 10.819 1.00 30.13 O ATOM 231 CB CYS A 556 -10.945 -19.794 12.244 1.00 64.51 C ATOM 232 SG CYS A 556 -11.648 -21.260 11.420 1.00 3.30 S ATOM 0 H CYS A 556 -9.565 -17.695 12.966 1.00 73.32 H new ATOM 0 HA CYS A 556 -9.367 -19.677 10.789 1.00 15.43 H new ATOM 0 HB2 CYS A 556 -10.421 -20.113 13.145 1.00 64.51 H new ATOM 0 HB3 CYS A 556 -11.760 -19.144 12.563 1.00 64.51 H new ATOM 0 HG CYS A 556 -12.214 -22.026 12.305 1.00 3.30 H new ATOM 237 N ILE A 557 -10.347 -18.094 9.147 1.00 31.14 N ATOM 238 CA ILE A 557 -11.021 -17.293 8.140 1.00 41.22 C ATOM 239 C ILE A 557 -12.522 -17.271 8.433 1.00 55.55 C ATOM 240 O ILE A 557 -13.192 -16.268 8.186 1.00 23.33 O ATOM 241 CB ILE A 557 -10.675 -17.795 6.737 1.00 73.14 C ATOM 242 CG1 ILE A 557 -11.677 -18.854 6.271 1.00 1.10 C ATOM 243 CG2 ILE A 557 -9.234 -18.304 6.676 1.00 24.01 C ATOM 244 CD1 ILE A 557 -11.447 -19.218 4.803 1.00 62.40 C ATOM 0 H ILE A 557 -9.545 -18.623 8.805 1.00 31.14 H new ATOM 0 HA ILE A 557 -10.674 -16.261 8.179 1.00 41.22 H new ATOM 0 HB ILE A 557 -10.749 -16.955 6.046 1.00 73.14 H new ATOM 0 HG12 ILE A 557 -11.583 -19.746 6.890 1.00 1.10 H new ATOM 0 HG13 ILE A 557 -12.693 -18.481 6.402 1.00 1.10 H new ATOM 0 HG21 ILE A 557 -9.014 -18.655 5.668 1.00 24.01 H new ATOM 0 HG22 ILE A 557 -8.551 -17.495 6.935 1.00 24.01 H new ATOM 0 HG23 ILE A 557 -9.108 -19.125 7.381 1.00 24.01 H new ATOM 0 HD11 ILE A 557 -12.172 -19.972 4.497 1.00 62.40 H new ATOM 0 HD12 ILE A 557 -11.566 -18.328 4.185 1.00 62.40 H new ATOM 0 HD13 ILE A 557 -10.439 -19.613 4.680 1.00 62.40 H new ATOM 256 N ASN A 558 -13.008 -18.388 8.954 1.00 41.40 N ATOM 257 CA ASN A 558 -14.418 -18.509 9.283 1.00 51.12 C ATOM 258 C ASN A 558 -14.715 -17.695 10.544 1.00 20.30 C ATOM 259 O ASN A 558 -15.501 -16.750 10.506 1.00 32.15 O ATOM 260 CB ASN A 558 -14.796 -19.965 9.560 1.00 24.41 C ATOM 261 CG ASN A 558 -15.222 -20.676 8.274 1.00 52.42 C ATOM 262 OD1 ASN A 558 -14.802 -20.338 7.179 1.00 31.42 O ATOM 263 ND2 ASN A 558 -16.078 -21.675 8.466 1.00 32.22 N ATOM 0 H ASN A 558 -12.450 -19.218 9.156 1.00 41.40 H new ATOM 0 HA ASN A 558 -14.995 -18.142 8.434 1.00 51.12 H new ATOM 0 HB2 ASN A 558 -13.948 -20.486 10.004 1.00 24.41 H new ATOM 0 HB3 ASN A 558 -15.608 -20.002 10.286 1.00 24.41 H new ATOM 0 HD21 ASN A 558 -16.423 -22.211 7.670 1.00 32.22 H new ATOM 0 HD22 ASN A 558 -16.389 -21.906 9.410 1.00 32.22 H new ATOM 270 N CYS A 559 -14.070 -18.092 11.631 1.00 31.32 N ATOM 271 CA CYS A 559 -14.255 -17.412 12.902 1.00 53.34 C ATOM 272 C CYS A 559 -13.389 -16.151 12.902 1.00 51.54 C ATOM 273 O CYS A 559 -13.909 -15.036 12.884 1.00 12.03 O ATOM 274 CB CYS A 559 -13.932 -18.326 14.085 1.00 15.23 C ATOM 275 SG CYS A 559 -14.239 -20.105 13.787 1.00 61.02 S ATOM 0 H CYS A 559 -13.418 -18.876 11.658 1.00 31.32 H new ATOM 0 HA CYS A 559 -15.302 -17.133 13.019 1.00 53.34 H new ATOM 0 HB2 CYS A 559 -12.884 -18.193 14.353 1.00 15.23 H new ATOM 0 HB3 CYS A 559 -14.524 -18.008 14.943 1.00 15.23 H new ATOM 0 HG CYS A 559 -14.943 -20.248 12.703 1.00 61.02 H new ATOM 280 N MET A 560 -12.082 -16.369 12.921 1.00 14.42 N ATOM 281 CA MET A 560 -11.139 -15.263 12.924 1.00 71.44 C ATOM 282 C MET A 560 -11.022 -14.645 14.318 1.00 35.24 C ATOM 283 O MET A 560 -11.043 -13.424 14.464 1.00 52.14 O ATOM 284 CB MET A 560 -11.600 -14.196 11.929 1.00 72.30 C ATOM 285 CG MET A 560 -11.976 -14.825 10.586 1.00 51.15 C ATOM 286 SD MET A 560 -12.608 -13.573 9.481 1.00 11.03 S ATOM 287 CE MET A 560 -14.362 -13.832 9.690 1.00 2.14 C ATOM 0 H MET A 560 -11.654 -17.295 12.934 1.00 14.42 H new ATOM 0 HA MET A 560 -10.160 -15.645 12.634 1.00 71.44 H new ATOM 0 HB2 MET A 560 -12.457 -13.660 12.336 1.00 72.30 H new ATOM 0 HB3 MET A 560 -10.806 -13.463 11.782 1.00 72.30 H new ATOM 0 HG2 MET A 560 -11.104 -15.306 10.143 1.00 51.15 H new ATOM 0 HG3 MET A 560 -12.726 -15.602 10.736 1.00 51.15 H new ATOM 0 HE1 MET A 560 -14.865 -12.868 9.772 1.00 2.14 H new ATOM 0 HE2 MET A 560 -14.755 -14.375 8.830 1.00 2.14 H new ATOM 0 HE3 MET A 560 -14.539 -14.411 10.596 1.00 2.14 H new ATOM 297 N VAL A 561 -10.902 -15.517 15.309 1.00 53.21 N ATOM 298 CA VAL A 561 -10.782 -15.072 16.687 1.00 54.21 C ATOM 299 C VAL A 561 -9.332 -15.232 17.146 1.00 64.33 C ATOM 300 O VAL A 561 -8.980 -14.834 18.255 1.00 30.31 O ATOM 301 CB VAL A 561 -11.776 -15.830 17.570 1.00 41.31 C ATOM 302 CG1 VAL A 561 -13.055 -16.159 16.798 1.00 61.31 C ATOM 303 CG2 VAL A 561 -11.141 -17.097 18.146 1.00 12.24 C ATOM 0 H VAL A 561 -10.885 -16.529 15.185 1.00 53.21 H new ATOM 0 HA VAL A 561 -11.034 -14.015 16.770 1.00 54.21 H new ATOM 0 HB VAL A 561 -12.046 -15.182 18.404 1.00 41.31 H new ATOM 0 HG11 VAL A 561 -13.744 -16.698 17.448 1.00 61.31 H new ATOM 0 HG12 VAL A 561 -13.523 -15.235 16.459 1.00 61.31 H new ATOM 0 HG13 VAL A 561 -12.810 -16.779 15.936 1.00 61.31 H new ATOM 0 HG21 VAL A 561 -11.868 -17.617 18.770 1.00 12.24 H new ATOM 0 HG22 VAL A 561 -10.829 -17.750 17.331 1.00 12.24 H new ATOM 0 HG23 VAL A 561 -10.273 -16.828 18.748 1.00 12.24 H new ATOM 313 N ALA A 562 -8.528 -15.816 16.269 1.00 74.14 N ATOM 314 CA ALA A 562 -7.124 -16.034 16.570 1.00 63.14 C ATOM 315 C ALA A 562 -6.968 -17.351 17.333 1.00 75.25 C ATOM 316 O ALA A 562 -7.228 -17.412 18.533 1.00 14.53 O ATOM 317 CB ALA A 562 -6.578 -14.839 17.353 1.00 2.31 C ATOM 0 H ALA A 562 -8.823 -16.145 15.350 1.00 74.14 H new ATOM 0 HA ALA A 562 -6.543 -16.115 15.651 1.00 63.14 H new ATOM 0 HB1 ALA A 562 -5.524 -15.003 17.579 1.00 2.31 H new ATOM 0 HB2 ALA A 562 -6.685 -13.933 16.756 1.00 2.31 H new ATOM 0 HB3 ALA A 562 -7.135 -14.728 18.283 1.00 2.31 H new ATOM 323 N VAL A 563 -6.546 -18.374 16.604 1.00 45.20 N ATOM 324 CA VAL A 563 -6.353 -19.686 17.197 1.00 24.20 C ATOM 325 C VAL A 563 -4.866 -19.893 17.495 1.00 13.24 C ATOM 326 O VAL A 563 -4.485 -20.890 18.106 1.00 62.34 O ATOM 327 CB VAL A 563 -6.934 -20.765 16.281 1.00 70.01 C ATOM 328 CG1 VAL A 563 -8.446 -20.893 16.476 1.00 30.42 C ATOM 329 CG2 VAL A 563 -6.592 -20.483 14.817 1.00 70.35 C ATOM 0 H VAL A 563 -6.332 -18.320 15.608 1.00 45.20 H new ATOM 0 HA VAL A 563 -6.888 -19.759 18.144 1.00 24.20 H new ATOM 0 HB VAL A 563 -6.479 -21.717 16.554 1.00 70.01 H new ATOM 0 HG11 VAL A 563 -8.834 -21.667 15.813 1.00 30.42 H new ATOM 0 HG12 VAL A 563 -8.658 -21.162 17.511 1.00 30.42 H new ATOM 0 HG13 VAL A 563 -8.925 -19.942 16.243 1.00 30.42 H new ATOM 0 HG21 VAL A 563 -7.017 -21.265 14.187 1.00 70.35 H new ATOM 0 HG22 VAL A 563 -7.006 -19.518 14.526 1.00 70.35 H new ATOM 0 HG23 VAL A 563 -5.509 -20.466 14.693 1.00 70.35 H new ATOM 339 N GLY A 564 -4.067 -18.934 17.051 1.00 14.32 N ATOM 340 CA GLY A 564 -2.631 -18.998 17.263 1.00 53.20 C ATOM 341 C GLY A 564 -1.933 -17.777 16.661 1.00 51.14 C ATOM 342 O GLY A 564 -2.568 -16.751 16.418 1.00 25.33 O ATOM 0 H GLY A 564 -4.387 -18.108 16.545 1.00 14.32 H new ATOM 0 HA2 GLY A 564 -2.420 -19.052 18.331 1.00 53.20 H new ATOM 0 HA3 GLY A 564 -2.233 -19.907 16.813 1.00 53.20 H new ATOM 346 N HIS A 565 -0.636 -17.928 16.436 1.00 11.43 N ATOM 347 CA HIS A 565 0.155 -16.850 15.867 1.00 61.12 C ATOM 348 C HIS A 565 0.916 -17.364 14.643 1.00 52.53 C ATOM 349 O HIS A 565 1.286 -18.535 14.584 1.00 44.12 O ATOM 350 CB HIS A 565 1.076 -16.236 16.923 1.00 63.02 C ATOM 351 CG HIS A 565 0.351 -15.450 17.989 1.00 54.15 C ATOM 352 ND1 HIS A 565 0.687 -14.149 18.320 1.00 55.21 N ATOM 353 CD2 HIS A 565 -0.696 -15.794 18.792 1.00 13.13 C ATOM 354 CE1 HIS A 565 -0.127 -13.739 19.282 1.00 53.35 C ATOM 355 NE2 HIS A 565 -0.983 -14.760 19.573 1.00 12.23 N ATOM 0 H HIS A 565 -0.113 -18.780 16.637 1.00 11.43 H new ATOM 0 HA HIS A 565 -0.503 -16.048 15.533 1.00 61.12 H new ATOM 0 HB2 HIS A 565 1.647 -17.033 17.399 1.00 63.02 H new ATOM 0 HB3 HIS A 565 1.793 -15.581 16.428 1.00 63.02 H new ATOM 0 HD2 HIS A 565 -1.205 -16.746 18.792 1.00 13.13 H new ATOM 0 HE1 HIS A 565 -0.115 -12.767 19.753 1.00 53.35 H new ATOM 0 HE2 HIS A 565 -1.722 -14.733 20.275 1.00 12.23 H new ATOM 363 N GLY A 566 1.126 -16.461 13.695 1.00 31.43 N ATOM 364 CA GLY A 566 1.836 -16.808 12.476 1.00 72.32 C ATOM 365 C GLY A 566 3.337 -16.946 12.736 1.00 62.43 C ATOM 366 O GLY A 566 4.081 -17.407 11.871 1.00 73.21 O ATOM 0 H GLY A 566 0.817 -15.490 13.747 1.00 31.43 H new ATOM 0 HA2 GLY A 566 1.445 -17.744 12.077 1.00 72.32 H new ATOM 0 HA3 GLY A 566 1.663 -16.042 11.720 1.00 72.32 H new ATOM 370 N SER A 567 3.738 -16.539 13.931 1.00 45.43 N ATOM 371 CA SER A 567 5.138 -16.611 14.315 1.00 32.14 C ATOM 372 C SER A 567 5.347 -17.747 15.318 1.00 33.44 C ATOM 373 O SER A 567 6.432 -17.894 15.878 1.00 31.34 O ATOM 374 CB SER A 567 5.615 -15.284 14.909 1.00 21.43 C ATOM 375 OG SER A 567 7.029 -15.256 15.085 1.00 40.02 O ATOM 0 H SER A 567 3.118 -16.158 14.646 1.00 45.43 H new ATOM 0 HA SER A 567 5.728 -16.811 13.421 1.00 32.14 H new ATOM 0 HB2 SER A 567 5.315 -14.465 14.255 1.00 21.43 H new ATOM 0 HB3 SER A 567 5.127 -15.120 15.870 1.00 21.43 H new ATOM 0 HG SER A 567 7.323 -16.092 15.504 1.00 40.02 H new ATOM 381 N ASP A 568 4.290 -18.522 15.515 1.00 70.24 N ATOM 382 CA ASP A 568 4.344 -19.641 16.440 1.00 12.14 C ATOM 383 C ASP A 568 4.213 -20.950 15.660 1.00 74.14 C ATOM 384 O ASP A 568 4.448 -22.028 16.204 1.00 42.23 O ATOM 385 CB ASP A 568 3.196 -19.576 17.450 1.00 4.33 C ATOM 386 CG ASP A 568 3.476 -20.258 18.791 1.00 15.21 C ATOM 387 OD1 ASP A 568 3.346 -19.642 19.860 1.00 63.42 O ATOM 388 OD2 ASP A 568 3.845 -21.491 18.709 1.00 44.12 O ATOM 0 H ASP A 568 3.391 -18.397 15.049 1.00 70.24 H new ATOM 0 HA ASP A 568 5.295 -19.594 16.970 1.00 12.14 H new ATOM 0 HB2 ASP A 568 2.954 -18.530 17.635 1.00 4.33 H new ATOM 0 HB3 ASP A 568 2.313 -20.034 17.004 1.00 4.33 H new ATOM 394 N LEU A 569 3.837 -20.813 14.396 1.00 31.44 N ATOM 395 CA LEU A 569 3.672 -21.972 13.535 1.00 34.13 C ATOM 396 C LEU A 569 5.020 -22.335 12.911 1.00 44.32 C ATOM 397 O LEU A 569 5.871 -21.468 12.715 1.00 53.25 O ATOM 398 CB LEU A 569 2.565 -21.723 12.508 1.00 4.31 C ATOM 399 CG LEU A 569 2.642 -20.397 11.748 1.00 2.13 C ATOM 400 CD1 LEU A 569 4.089 -20.055 11.387 1.00 71.11 C ATOM 401 CD2 LEU A 569 1.733 -20.417 10.518 1.00 44.23 C ATOM 0 H LEU A 569 3.642 -19.918 13.948 1.00 31.44 H new ATOM 0 HA LEU A 569 3.347 -22.835 14.116 1.00 34.13 H new ATOM 0 HB2 LEU A 569 2.580 -22.536 11.783 1.00 4.31 H new ATOM 0 HB3 LEU A 569 1.604 -21.770 13.020 1.00 4.31 H new ATOM 0 HG LEU A 569 2.279 -19.606 12.404 1.00 2.13 H new ATOM 0 HD11 LEU A 569 4.115 -19.108 10.848 1.00 71.11 H new ATOM 0 HD12 LEU A 569 4.681 -19.970 12.298 1.00 71.11 H new ATOM 0 HD13 LEU A 569 4.503 -20.843 10.758 1.00 71.11 H new ATOM 0 HD21 LEU A 569 1.806 -19.463 9.996 1.00 44.23 H new ATOM 0 HD22 LEU A 569 2.042 -21.221 9.850 1.00 44.23 H new ATOM 0 HD23 LEU A 569 0.702 -20.581 10.830 1.00 44.23 H new ATOM 413 N ARG A 570 5.174 -23.617 12.616 1.00 63.11 N ATOM 414 CA ARG A 570 6.405 -24.105 12.018 1.00 63.04 C ATOM 415 C ARG A 570 6.102 -25.216 11.010 1.00 10.12 C ATOM 416 O ARG A 570 5.349 -26.142 11.310 1.00 45.34 O ATOM 417 CB ARG A 570 7.362 -24.641 13.085 1.00 54.01 C ATOM 418 CG ARG A 570 7.762 -23.538 14.066 1.00 1.52 C ATOM 419 CD ARG A 570 8.765 -24.058 15.098 1.00 61.45 C ATOM 420 NE ARG A 570 8.979 -23.043 16.153 1.00 31.41 N ATOM 421 CZ ARG A 570 9.740 -21.939 15.998 1.00 20.34 C ATOM 422 NH1 ARG A 570 10.367 -21.698 14.828 1.00 65.23 N ATOM 423 NH2 ARG A 570 9.862 -21.099 17.009 1.00 14.02 N ATOM 0 H ARG A 570 4.466 -24.333 12.780 1.00 63.11 H new ATOM 0 HA ARG A 570 6.880 -23.267 11.508 1.00 63.04 H new ATOM 0 HB2 ARG A 570 6.887 -25.459 13.626 1.00 54.01 H new ATOM 0 HB3 ARG A 570 8.253 -25.049 12.608 1.00 54.01 H new ATOM 0 HG2 ARG A 570 8.198 -22.701 13.520 1.00 1.52 H new ATOM 0 HG3 ARG A 570 6.875 -23.160 14.574 1.00 1.52 H new ATOM 0 HD2 ARG A 570 8.396 -24.983 15.541 1.00 61.45 H new ATOM 0 HD3 ARG A 570 9.711 -24.293 14.611 1.00 61.45 H new ATOM 0 HE ARG A 570 8.523 -23.187 17.054 1.00 31.41 H new ATOM 0 HH11 ARG A 570 10.268 -22.353 14.052 1.00 65.23 H new ATOM 0 HH12 ARG A 570 10.940 -20.861 14.719 1.00 65.23 H new ATOM 0 HH21 ARG A 570 9.385 -21.289 17.890 1.00 14.02 H new ATOM 0 HH22 ARG A 570 10.433 -20.260 16.909 1.00 14.02 H new ATOM 436 N LYS A 571 6.703 -25.087 9.837 1.00 62.13 N ATOM 437 CA LYS A 571 6.507 -26.069 8.783 1.00 12.44 C ATOM 438 C LYS A 571 7.279 -27.343 9.130 1.00 71.33 C ATOM 439 O LYS A 571 8.223 -27.307 9.917 1.00 43.21 O ATOM 440 CB LYS A 571 6.878 -25.476 7.423 1.00 55.44 C ATOM 441 CG LYS A 571 8.388 -25.543 7.188 1.00 20.12 C ATOM 442 CD LYS A 571 8.733 -25.207 5.736 1.00 61.41 C ATOM 443 CE LYS A 571 7.963 -23.974 5.261 1.00 41.34 C ATOM 444 NZ LYS A 571 8.796 -23.164 4.344 1.00 65.24 N ATOM 0 H LYS A 571 7.326 -24.317 9.592 1.00 62.13 H new ATOM 0 HA LYS A 571 5.455 -26.344 8.708 1.00 12.44 H new ATOM 0 HB2 LYS A 571 6.359 -26.018 6.632 1.00 55.44 H new ATOM 0 HB3 LYS A 571 6.544 -24.440 7.371 1.00 55.44 H new ATOM 0 HG2 LYS A 571 8.895 -24.847 7.856 1.00 20.12 H new ATOM 0 HG3 LYS A 571 8.753 -26.541 7.431 1.00 20.12 H new ATOM 0 HD2 LYS A 571 9.804 -25.028 5.645 1.00 61.41 H new ATOM 0 HD3 LYS A 571 8.496 -26.057 5.096 1.00 61.41 H new ATOM 0 HE2 LYS A 571 7.048 -24.282 4.754 1.00 41.34 H new ATOM 0 HE3 LYS A 571 7.665 -23.371 6.119 1.00 41.34 H new ATOM 0 HZ1 LYS A 571 8.258 -22.331 4.031 1.00 65.24 H new ATOM 0 HZ2 LYS A 571 9.657 -22.855 4.839 1.00 65.24 H new ATOM 0 HZ3 LYS A 571 9.059 -23.737 3.517 1.00 65.24 H new ATOM 457 N VAL A 572 6.848 -28.441 8.525 1.00 43.54 N ATOM 458 CA VAL A 572 7.487 -29.724 8.759 1.00 22.31 C ATOM 459 C VAL A 572 8.255 -30.144 7.504 1.00 1.30 C ATOM 460 O VAL A 572 7.659 -30.609 6.534 1.00 42.02 O ATOM 461 CB VAL A 572 6.445 -30.756 9.195 1.00 53.02 C ATOM 462 CG1 VAL A 572 6.901 -32.175 8.852 1.00 64.31 C ATOM 463 CG2 VAL A 572 6.134 -30.625 10.687 1.00 22.12 C ATOM 0 H VAL A 572 6.064 -28.468 7.873 1.00 43.54 H new ATOM 0 HA VAL A 572 8.209 -29.647 9.572 1.00 22.31 H new ATOM 0 HB VAL A 572 5.526 -30.557 8.643 1.00 53.02 H new ATOM 0 HG11 VAL A 572 6.142 -32.889 9.173 1.00 64.31 H new ATOM 0 HG12 VAL A 572 7.047 -32.260 7.775 1.00 64.31 H new ATOM 0 HG13 VAL A 572 7.839 -32.389 9.363 1.00 64.31 H new ATOM 0 HG21 VAL A 572 5.391 -31.370 10.971 1.00 22.12 H new ATOM 0 HG22 VAL A 572 7.045 -30.784 11.264 1.00 22.12 H new ATOM 0 HG23 VAL A 572 5.744 -29.628 10.891 1.00 22.12 H new ATOM 473 N GLU A 573 9.566 -29.964 7.564 1.00 44.13 N ATOM 474 CA GLU A 573 10.422 -30.318 6.444 1.00 41.11 C ATOM 475 C GLU A 573 9.739 -29.963 5.121 1.00 24.24 C ATOM 476 O GLU A 573 9.967 -30.619 4.106 1.00 74.20 O ATOM 477 CB GLU A 573 10.796 -31.801 6.487 1.00 5.32 C ATOM 478 CG GLU A 573 9.550 -32.684 6.398 1.00 2.35 C ATOM 479 CD GLU A 573 9.922 -34.121 6.030 1.00 70.43 C ATOM 480 OE1 GLU A 573 10.914 -34.342 5.319 1.00 31.41 O ATOM 481 OE2 GLU A 573 9.139 -35.027 6.510 1.00 23.32 O ATOM 0 H GLU A 573 10.057 -29.578 8.370 1.00 44.13 H new ATOM 0 HA GLU A 573 11.344 -29.742 6.521 1.00 41.11 H new ATOM 0 HB2 GLU A 573 11.470 -32.034 5.663 1.00 5.32 H new ATOM 0 HB3 GLU A 573 11.334 -32.017 7.410 1.00 5.32 H new ATOM 0 HG2 GLU A 573 9.024 -32.674 7.352 1.00 2.35 H new ATOM 0 HG3 GLU A 573 8.866 -32.279 5.652 1.00 2.35 H new ATOM 489 N GLY A 574 8.917 -28.926 5.176 1.00 33.24 N ATOM 490 CA GLY A 574 8.199 -28.476 3.995 1.00 24.54 C ATOM 491 C GLY A 574 7.324 -29.595 3.426 1.00 22.03 C ATOM 492 O GLY A 574 7.368 -29.875 2.229 1.00 4.43 O ATOM 0 H GLY A 574 8.732 -28.384 6.020 1.00 33.24 H new ATOM 0 HA2 GLY A 574 7.578 -27.617 4.248 1.00 24.54 H new ATOM 0 HA3 GLY A 574 8.909 -28.144 3.238 1.00 24.54 H new ATOM 496 N THR A 575 6.549 -30.205 4.311 1.00 2.32 N ATOM 497 CA THR A 575 5.665 -31.286 3.912 1.00 30.40 C ATOM 498 C THR A 575 4.205 -30.899 4.154 1.00 10.31 C ATOM 499 O THR A 575 3.325 -31.265 3.377 1.00 34.32 O ATOM 500 CB THR A 575 6.092 -32.548 4.665 1.00 35.02 C ATOM 501 OG1 THR A 575 7.210 -33.032 3.926 1.00 34.13 O ATOM 502 CG2 THR A 575 5.059 -33.672 4.557 1.00 12.23 C ATOM 0 H THR A 575 6.515 -29.971 5.303 1.00 2.32 H new ATOM 0 HA THR A 575 5.742 -31.486 2.843 1.00 30.40 H new ATOM 0 HB THR A 575 6.256 -32.306 5.715 1.00 35.02 H new ATOM 0 HG1 THR A 575 7.551 -33.849 4.346 1.00 34.13 H new ATOM 0 HG21 THR A 575 5.411 -34.544 5.109 1.00 12.23 H new ATOM 0 HG22 THR A 575 4.111 -33.336 4.976 1.00 12.23 H new ATOM 0 HG23 THR A 575 4.919 -33.938 3.509 1.00 12.23 H new ATOM 510 N HIS A 576 3.993 -30.162 5.235 1.00 61.13 N ATOM 511 CA HIS A 576 2.655 -29.720 5.589 1.00 72.51 C ATOM 512 C HIS A 576 2.729 -28.764 6.781 1.00 34.31 C ATOM 513 O HIS A 576 3.020 -29.183 7.900 1.00 22.03 O ATOM 514 CB HIS A 576 1.738 -30.918 5.845 1.00 32.02 C ATOM 515 CG HIS A 576 1.027 -31.422 4.612 1.00 54.10 C ATOM 516 ND1 HIS A 576 1.195 -32.705 4.121 1.00 42.21 N ATOM 517 CD2 HIS A 576 0.143 -30.803 3.777 1.00 1.02 C ATOM 518 CE1 HIS A 576 0.443 -32.841 3.039 1.00 42.54 C ATOM 519 NE2 HIS A 576 -0.208 -31.661 2.827 1.00 43.40 N ATOM 0 H HIS A 576 4.726 -29.860 5.877 1.00 61.13 H new ATOM 0 HA HIS A 576 2.216 -29.172 4.755 1.00 72.51 H new ATOM 0 HB2 HIS A 576 2.328 -31.730 6.269 1.00 32.02 H new ATOM 0 HB3 HIS A 576 0.995 -30.640 6.592 1.00 32.02 H new ATOM 0 HD2 HIS A 576 -0.211 -29.787 3.873 1.00 1.02 H new ATOM 0 HE1 HIS A 576 0.360 -33.730 2.431 1.00 42.54 H new ATOM 0 HE2 HIS A 576 -0.857 -31.470 2.064 1.00 43.40 H new ATOM 527 N HIS A 577 2.459 -27.498 6.500 1.00 4.23 N ATOM 528 CA HIS A 577 2.492 -26.479 7.535 1.00 14.44 C ATOM 529 C HIS A 577 1.728 -26.972 8.766 1.00 75.24 C ATOM 530 O HIS A 577 0.577 -27.395 8.658 1.00 25.22 O ATOM 531 CB HIS A 577 1.960 -25.146 7.003 1.00 65.34 C ATOM 532 CG HIS A 577 3.015 -24.279 6.358 1.00 52.34 C ATOM 533 ND1 HIS A 577 3.721 -24.668 5.233 1.00 25.43 N ATOM 534 CD2 HIS A 577 3.474 -23.038 6.690 1.00 13.01 C ATOM 535 CE1 HIS A 577 4.566 -23.699 4.913 1.00 55.21 C ATOM 536 NE2 HIS A 577 4.411 -22.689 5.817 1.00 32.42 N ATOM 0 H HIS A 577 2.216 -27.155 5.571 1.00 4.23 H new ATOM 0 HA HIS A 577 3.523 -26.298 7.838 1.00 14.44 H new ATOM 0 HB2 HIS A 577 1.173 -25.345 6.276 1.00 65.34 H new ATOM 0 HB3 HIS A 577 1.503 -24.594 7.825 1.00 65.34 H new ATOM 0 HD1 HIS A 577 3.610 -25.551 4.735 1.00 25.43 H new ATOM 0 HD2 HIS A 577 3.133 -22.440 7.522 1.00 13.01 H new ATOM 0 HE1 HIS A 577 5.256 -23.707 4.082 1.00 55.21 H new ATOM 544 N VAL A 578 2.398 -26.902 9.906 1.00 12.33 N ATOM 545 CA VAL A 578 1.796 -27.336 11.156 1.00 64.23 C ATOM 546 C VAL A 578 2.045 -26.277 12.232 1.00 54.05 C ATOM 547 O VAL A 578 3.170 -26.117 12.702 1.00 52.41 O ATOM 548 CB VAL A 578 2.331 -28.717 11.542 1.00 40.15 C ATOM 549 CG1 VAL A 578 2.062 -29.738 10.435 1.00 75.14 C ATOM 550 CG2 VAL A 578 3.822 -28.653 11.878 1.00 63.14 C ATOM 0 H VAL A 578 3.352 -26.551 9.991 1.00 12.33 H new ATOM 0 HA VAL A 578 0.717 -27.439 11.045 1.00 64.23 H new ATOM 0 HB VAL A 578 1.800 -29.044 12.436 1.00 40.15 H new ATOM 0 HG11 VAL A 578 2.452 -30.711 10.735 1.00 75.14 H new ATOM 0 HG12 VAL A 578 0.988 -29.815 10.264 1.00 75.14 H new ATOM 0 HG13 VAL A 578 2.554 -29.417 9.517 1.00 75.14 H new ATOM 0 HG21 VAL A 578 4.177 -29.647 12.149 1.00 63.14 H new ATOM 0 HG22 VAL A 578 4.375 -28.294 11.010 1.00 63.14 H new ATOM 0 HG23 VAL A 578 3.978 -27.972 12.715 1.00 63.14 H new ATOM 560 N ASN A 579 0.975 -25.581 12.590 1.00 64.43 N ATOM 561 CA ASN A 579 1.063 -24.542 13.601 1.00 20.13 C ATOM 562 C ASN A 579 1.140 -25.189 14.986 1.00 61.03 C ATOM 563 O ASN A 579 0.194 -25.843 15.423 1.00 65.13 O ATOM 564 CB ASN A 579 -0.171 -23.638 13.570 1.00 4.22 C ATOM 565 CG ASN A 579 -0.366 -22.931 14.913 1.00 53.21 C ATOM 566 OD1 ASN A 579 -1.444 -22.917 15.485 1.00 3.41 O ATOM 567 ND2 ASN A 579 0.733 -22.347 15.382 1.00 54.42 N ATOM 0 H ASN A 579 0.043 -25.717 12.198 1.00 64.43 H new ATOM 0 HA ASN A 579 1.952 -23.946 13.396 1.00 20.13 H new ATOM 0 HB2 ASN A 579 -0.064 -22.898 12.777 1.00 4.22 H new ATOM 0 HB3 ASN A 579 -1.055 -24.231 13.335 1.00 4.22 H new ATOM 0 HD21 ASN A 579 0.706 -21.849 16.272 1.00 54.42 H new ATOM 0 HD22 ASN A 579 1.603 -22.397 14.852 1.00 54.42 H new ATOM 574 N VAL A 580 2.275 -24.984 15.637 1.00 4.22 N ATOM 575 CA VAL A 580 2.488 -25.539 16.963 1.00 3.00 C ATOM 576 C VAL A 580 1.910 -24.585 18.010 1.00 54.33 C ATOM 577 O VAL A 580 2.059 -23.369 17.897 1.00 70.14 O ATOM 578 CB VAL A 580 3.975 -25.829 17.176 1.00 23.52 C ATOM 579 CG1 VAL A 580 4.186 -26.767 18.367 1.00 74.03 C ATOM 580 CG2 VAL A 580 4.609 -26.403 15.907 1.00 21.44 C ATOM 0 H VAL A 580 3.057 -24.441 15.271 1.00 4.22 H new ATOM 0 HA VAL A 580 1.966 -26.490 17.067 1.00 3.00 H new ATOM 0 HB VAL A 580 4.471 -24.885 17.401 1.00 23.52 H new ATOM 0 HG11 VAL A 580 5.252 -26.957 18.496 1.00 74.03 H new ATOM 0 HG12 VAL A 580 3.788 -26.304 19.270 1.00 74.03 H new ATOM 0 HG13 VAL A 580 3.669 -27.709 18.184 1.00 74.03 H new ATOM 0 HG21 VAL A 580 5.666 -26.600 16.086 1.00 21.44 H new ATOM 0 HG22 VAL A 580 4.107 -27.332 15.638 1.00 21.44 H new ATOM 0 HG23 VAL A 580 4.506 -25.686 15.093 1.00 21.44 H new ATOM 590 N ASN A 581 1.261 -25.172 19.005 1.00 51.33 N ATOM 591 CA ASN A 581 0.659 -24.389 20.071 1.00 41.13 C ATOM 592 C ASN A 581 -0.057 -25.327 21.044 1.00 10.15 C ATOM 593 O ASN A 581 -0.854 -26.167 20.630 1.00 21.21 O ATOM 594 CB ASN A 581 -0.373 -23.405 19.516 1.00 33.32 C ATOM 595 CG ASN A 581 0.264 -22.044 19.231 1.00 63.23 C ATOM 596 OD1 ASN A 581 0.239 -21.538 18.121 1.00 71.32 O ATOM 597 ND2 ASN A 581 0.836 -21.482 20.292 1.00 41.55 N ATOM 0 H ASN A 581 1.139 -26.181 19.095 1.00 51.33 H new ATOM 0 HA ASN A 581 1.452 -23.835 20.572 1.00 41.13 H new ATOM 0 HB2 ASN A 581 -0.807 -23.806 18.600 1.00 33.32 H new ATOM 0 HB3 ASN A 581 -1.188 -23.286 20.230 1.00 33.32 H new ATOM 0 HD21 ASN A 581 1.290 -20.573 20.205 1.00 41.55 H new ATOM 0 HD22 ASN A 581 0.821 -21.960 21.193 1.00 41.55 H new ATOM 604 N PRO A 582 0.261 -25.147 22.354 1.00 30.25 N ATOM 605 CA PRO A 582 -0.343 -25.967 23.391 1.00 61.44 C ATOM 606 C PRO A 582 -1.791 -25.547 23.649 1.00 52.34 C ATOM 607 O PRO A 582 -2.641 -26.384 23.949 1.00 25.12 O ATOM 608 CB PRO A 582 0.553 -25.789 24.606 1.00 71.25 C ATOM 609 CG PRO A 582 1.354 -24.523 24.351 1.00 40.25 C ATOM 610 CD PRO A 582 1.200 -24.162 22.882 1.00 4.11 C ATOM 0 HA PRO A 582 -0.407 -27.018 23.111 1.00 61.44 H new ATOM 0 HB2 PRO A 582 -0.038 -25.700 25.518 1.00 71.25 H new ATOM 0 HB3 PRO A 582 1.211 -26.648 24.735 1.00 71.25 H new ATOM 0 HG2 PRO A 582 0.996 -23.711 24.983 1.00 40.25 H new ATOM 0 HG3 PRO A 582 2.404 -24.679 24.598 1.00 40.25 H new ATOM 0 HD2 PRO A 582 0.819 -23.148 22.761 1.00 4.11 H new ATOM 0 HD3 PRO A 582 2.156 -24.208 22.361 1.00 4.11 H new ATOM 618 N ASN A 583 -2.028 -24.249 23.522 1.00 74.44 N ATOM 619 CA ASN A 583 -3.359 -23.707 23.737 1.00 32.31 C ATOM 620 C ASN A 583 -4.221 -23.977 22.502 1.00 33.54 C ATOM 621 O ASN A 583 -5.408 -23.654 22.486 1.00 1.05 O ATOM 622 CB ASN A 583 -3.309 -22.194 23.956 1.00 24.04 C ATOM 623 CG ASN A 583 -2.024 -21.788 24.682 1.00 52.32 C ATOM 624 OD1 ASN A 583 -1.843 -22.035 25.863 1.00 64.24 O ATOM 625 ND2 ASN A 583 -1.146 -21.152 23.912 1.00 50.23 N ATOM 0 H ASN A 583 -1.321 -23.557 23.273 1.00 74.44 H new ATOM 0 HA ASN A 583 -3.779 -24.186 24.622 1.00 32.31 H new ATOM 0 HB2 ASN A 583 -3.366 -21.682 22.996 1.00 24.04 H new ATOM 0 HB3 ASN A 583 -4.175 -21.878 24.538 1.00 24.04 H new ATOM 0 HD21 ASN A 583 -0.258 -20.839 24.303 1.00 50.23 H new ATOM 0 HD22 ASN A 583 -1.361 -20.977 22.930 1.00 50.23 H new ATOM 632 N PHE A 584 -3.591 -24.568 21.498 1.00 41.14 N ATOM 633 CA PHE A 584 -4.286 -24.885 20.261 1.00 24.35 C ATOM 634 C PHE A 584 -5.274 -26.035 20.467 1.00 23.14 C ATOM 635 O PHE A 584 -6.320 -26.082 19.823 1.00 15.31 O ATOM 636 CB PHE A 584 -3.223 -25.317 19.249 1.00 24.24 C ATOM 637 CG PHE A 584 -3.539 -24.919 17.806 1.00 2.44 C ATOM 638 CD1 PHE A 584 -3.621 -23.604 17.466 1.00 21.35 C ATOM 639 CD2 PHE A 584 -3.738 -25.879 16.864 1.00 42.52 C ATOM 640 CE1 PHE A 584 -3.914 -23.234 16.127 1.00 33.33 C ATOM 641 CE2 PHE A 584 -4.031 -25.509 15.525 1.00 52.43 C ATOM 642 CZ PHE A 584 -4.113 -24.194 15.185 1.00 73.34 C ATOM 0 H PHE A 584 -2.607 -24.836 21.515 1.00 41.14 H new ATOM 0 HA PHE A 584 -4.847 -24.016 19.916 1.00 24.35 H new ATOM 0 HB2 PHE A 584 -2.266 -24.880 19.534 1.00 24.24 H new ATOM 0 HB3 PHE A 584 -3.107 -26.400 19.299 1.00 24.24 H new ATOM 0 HD1 PHE A 584 -3.463 -22.842 18.215 1.00 21.35 H new ATOM 0 HD2 PHE A 584 -3.673 -26.923 17.134 1.00 42.52 H new ATOM 0 HE1 PHE A 584 -3.979 -22.190 15.857 1.00 33.33 H new ATOM 0 HE2 PHE A 584 -4.189 -26.271 14.776 1.00 52.43 H new ATOM 0 HZ PHE A 584 -4.336 -23.913 14.166 1.00 73.34 H new ATOM 652 N SER A 585 -4.906 -26.935 21.368 1.00 12.30 N ATOM 653 CA SER A 585 -5.747 -28.081 21.667 1.00 73.30 C ATOM 654 C SER A 585 -7.114 -27.611 22.168 1.00 55.04 C ATOM 655 O SER A 585 -8.100 -28.341 22.071 1.00 23.13 O ATOM 656 CB SER A 585 -5.087 -28.993 22.703 1.00 35.03 C ATOM 657 OG SER A 585 -3.883 -29.575 22.212 1.00 21.23 O ATOM 0 H SER A 585 -4.037 -26.893 21.900 1.00 12.30 H new ATOM 0 HA SER A 585 -5.881 -28.655 20.750 1.00 73.30 H new ATOM 0 HB2 SER A 585 -4.871 -28.420 23.605 1.00 35.03 H new ATOM 0 HB3 SER A 585 -5.783 -29.783 22.986 1.00 35.03 H new ATOM 0 HG SER A 585 -4.023 -29.893 21.296 1.00 21.23 H new ATOM 663 N ASN A 586 -7.131 -26.394 22.691 1.00 24.14 N ATOM 664 CA ASN A 586 -8.361 -25.818 23.207 1.00 4.43 C ATOM 665 C ASN A 586 -9.107 -25.118 22.070 1.00 51.31 C ATOM 666 O ASN A 586 -10.292 -24.811 22.196 1.00 5.13 O ATOM 667 CB ASN A 586 -8.069 -24.778 24.292 1.00 73.44 C ATOM 668 CG ASN A 586 -7.992 -25.433 25.672 1.00 34.13 C ATOM 669 OD1 ASN A 586 -8.775 -25.152 26.566 1.00 64.45 O ATOM 670 ND2 ASN A 586 -7.008 -26.319 25.797 1.00 74.24 N ATOM 0 H ASN A 586 -6.312 -25.791 22.769 1.00 24.14 H new ATOM 0 HA ASN A 586 -8.959 -26.624 23.631 1.00 4.43 H new ATOM 0 HB2 ASN A 586 -7.129 -24.272 24.072 1.00 73.44 H new ATOM 0 HB3 ASN A 586 -8.849 -24.016 24.290 1.00 73.44 H new ATOM 0 HD21 ASN A 586 -6.873 -26.810 26.681 1.00 74.24 H new ATOM 0 HD22 ASN A 586 -6.388 -26.507 25.009 1.00 74.24 H new ATOM 677 N TYR A 587 -8.383 -24.886 20.985 1.00 55.34 N ATOM 678 CA TYR A 587 -8.962 -24.228 19.826 1.00 54.43 C ATOM 679 C TYR A 587 -9.472 -25.253 18.811 1.00 41.24 C ATOM 680 O TYR A 587 -9.962 -24.885 17.744 1.00 64.01 O ATOM 681 CB TYR A 587 -7.830 -23.418 19.191 1.00 62.43 C ATOM 682 CG TYR A 587 -7.712 -21.989 19.723 1.00 55.23 C ATOM 683 CD1 TYR A 587 -8.816 -21.160 19.724 1.00 71.11 C ATOM 684 CD2 TYR A 587 -6.503 -21.528 20.201 1.00 1.45 C ATOM 685 CE1 TYR A 587 -8.706 -19.815 20.225 1.00 44.54 C ATOM 686 CE2 TYR A 587 -6.392 -20.182 20.702 1.00 34.02 C ATOM 687 CZ TYR A 587 -7.499 -19.392 20.689 1.00 12.10 C ATOM 688 OH TYR A 587 -7.395 -18.121 21.162 1.00 61.01 O ATOM 0 H TYR A 587 -7.401 -25.142 20.884 1.00 55.34 H new ATOM 0 HA TYR A 587 -9.807 -23.605 20.121 1.00 54.43 H new ATOM 0 HB2 TYR A 587 -6.887 -23.937 19.361 1.00 62.43 H new ATOM 0 HB3 TYR A 587 -7.984 -23.381 18.113 1.00 62.43 H new ATOM 0 HD1 TYR A 587 -9.762 -21.521 19.349 1.00 71.11 H new ATOM 0 HD2 TYR A 587 -5.639 -22.176 20.200 1.00 1.45 H new ATOM 0 HE1 TYR A 587 -9.562 -19.157 20.232 1.00 44.54 H new ATOM 0 HE2 TYR A 587 -5.451 -19.809 21.079 1.00 34.02 H new ATOM 0 HH TYR A 587 -7.338 -17.496 20.410 1.00 61.01 H new ATOM 698 N TYR A 588 -9.339 -26.519 19.178 1.00 0.34 N ATOM 699 CA TYR A 588 -9.780 -27.600 18.313 1.00 2.32 C ATOM 700 C TYR A 588 -9.958 -28.897 19.104 1.00 34.14 C ATOM 701 O TYR A 588 -9.461 -29.020 20.222 1.00 24.14 O ATOM 702 CB TYR A 588 -8.667 -27.795 17.282 1.00 41.44 C ATOM 703 CG TYR A 588 -7.456 -28.565 17.811 1.00 60.53 C ATOM 704 CD1 TYR A 588 -7.567 -29.910 18.100 1.00 23.31 C ATOM 705 CD2 TYR A 588 -6.253 -27.916 17.999 1.00 43.03 C ATOM 706 CE1 TYR A 588 -6.427 -30.636 18.598 1.00 1.11 C ATOM 707 CE2 TYR A 588 -5.113 -28.642 18.497 1.00 41.53 C ATOM 708 CZ TYR A 588 -5.256 -29.966 18.772 1.00 53.31 C ATOM 709 OH TYR A 588 -4.180 -30.651 19.242 1.00 2.12 O ATOM 0 H TYR A 588 -8.932 -26.821 20.063 1.00 0.34 H new ATOM 0 HA TYR A 588 -10.738 -27.358 17.854 1.00 2.32 H new ATOM 0 HB2 TYR A 588 -9.073 -28.325 16.420 1.00 41.44 H new ATOM 0 HB3 TYR A 588 -8.337 -26.818 16.929 1.00 41.44 H new ATOM 0 HD1 TYR A 588 -8.509 -30.418 17.953 1.00 23.31 H new ATOM 0 HD2 TYR A 588 -6.166 -26.864 17.773 1.00 43.03 H new ATOM 0 HE1 TYR A 588 -6.500 -31.689 18.828 1.00 1.11 H new ATOM 0 HE2 TYR A 588 -4.166 -28.146 18.649 1.00 41.53 H new ATOM 0 HH TYR A 588 -3.413 -30.045 19.315 1.00 2.12 H new ATOM 719 N ASN A 589 -10.670 -29.832 18.493 1.00 73.32 N ATOM 720 CA ASN A 589 -10.921 -31.116 19.126 1.00 2.10 C ATOM 721 C ASN A 589 -10.597 -32.239 18.138 1.00 0.34 C ATOM 722 O ASN A 589 -11.107 -32.252 17.019 1.00 1.11 O ATOM 723 CB ASN A 589 -12.389 -31.252 19.532 1.00 35.41 C ATOM 724 CG ASN A 589 -12.755 -30.237 20.616 1.00 12.05 C ATOM 725 OD1 ASN A 589 -12.747 -30.526 21.802 1.00 41.41 O ATOM 726 ND2 ASN A 589 -13.076 -29.035 20.146 1.00 21.10 N ATOM 0 H ASN A 589 -11.081 -29.726 17.566 1.00 73.32 H new ATOM 0 HA ASN A 589 -10.294 -31.182 20.015 1.00 2.10 H new ATOM 0 HB2 ASN A 589 -13.026 -31.104 18.660 1.00 35.41 H new ATOM 0 HB3 ASN A 589 -12.577 -32.262 19.896 1.00 35.41 H new ATOM 0 HD21 ASN A 589 -13.336 -28.288 20.790 1.00 21.10 H new ATOM 0 HD22 ASN A 589 -13.062 -28.860 19.141 1.00 21.10 H new ATOM 733 N VAL A 590 -9.751 -33.154 18.589 1.00 51.35 N ATOM 734 CA VAL A 590 -9.353 -34.278 17.758 1.00 12.04 C ATOM 735 C VAL A 590 -10.521 -35.260 17.643 1.00 11.40 C ATOM 736 O VAL A 590 -11.244 -35.487 18.612 1.00 25.12 O ATOM 737 CB VAL A 590 -8.085 -34.922 18.322 1.00 3.40 C ATOM 738 CG1 VAL A 590 -7.902 -36.340 17.778 1.00 4.15 C ATOM 739 CG2 VAL A 590 -6.856 -34.059 18.029 1.00 44.00 C ATOM 0 H VAL A 590 -9.331 -33.140 19.518 1.00 51.35 H new ATOM 0 HA VAL A 590 -9.110 -33.941 16.750 1.00 12.04 H new ATOM 0 HB VAL A 590 -8.196 -34.991 19.404 1.00 3.40 H new ATOM 0 HG11 VAL A 590 -6.994 -36.775 18.194 1.00 4.15 H new ATOM 0 HG12 VAL A 590 -8.759 -36.951 18.060 1.00 4.15 H new ATOM 0 HG13 VAL A 590 -7.823 -36.305 16.691 1.00 4.15 H new ATOM 0 HG21 VAL A 590 -5.968 -34.539 18.440 1.00 44.00 H new ATOM 0 HG22 VAL A 590 -6.740 -33.945 16.951 1.00 44.00 H new ATOM 0 HG23 VAL A 590 -6.983 -33.078 18.486 1.00 44.00 H new ATOM 749 N SER A 591 -10.670 -35.815 16.449 1.00 0.23 N ATOM 750 CA SER A 591 -11.738 -36.767 16.195 1.00 42.24 C ATOM 751 C SER A 591 -11.673 -37.910 17.210 1.00 51.32 C ATOM 752 O SER A 591 -10.740 -37.984 18.007 1.00 25.42 O ATOM 753 CB SER A 591 -11.656 -37.318 14.770 1.00 54.54 C ATOM 754 OG SER A 591 -12.351 -38.554 14.635 1.00 75.24 O ATOM 0 H SER A 591 -10.069 -35.624 15.647 1.00 0.23 H new ATOM 0 HA SER A 591 -12.691 -36.249 16.302 1.00 42.24 H new ATOM 0 HB2 SER A 591 -12.074 -36.589 14.075 1.00 54.54 H new ATOM 0 HB3 SER A 591 -10.611 -37.458 14.495 1.00 54.54 H new ATOM 0 HG SER A 591 -12.277 -38.872 13.711 1.00 75.24 H new ATOM 966 N TRP A 604 7.232 -39.189 12.033 1.00 43.12 N ATOM 967 CA TRP A 604 6.150 -38.557 12.768 1.00 52.13 C ATOM 968 C TRP A 604 4.873 -39.361 12.514 1.00 62.22 C ATOM 969 O TRP A 604 4.474 -39.553 11.366 1.00 12.33 O ATOM 970 CB TRP A 604 6.014 -37.082 12.383 1.00 33.31 C ATOM 971 CG TRP A 604 5.812 -36.846 10.885 1.00 73.00 C ATOM 972 CD1 TRP A 604 6.456 -37.427 9.864 1.00 45.42 C ATOM 973 CD2 TRP A 604 4.871 -35.936 10.277 1.00 34.13 C ATOM 974 NE1 TRP A 604 6.002 -36.959 8.647 1.00 31.44 N ATOM 975 CE2 TRP A 604 5.007 -36.024 8.907 1.00 73.30 C ATOM 976 CE3 TRP A 604 3.935 -35.067 10.866 1.00 20.33 C ATOM 977 CZ2 TRP A 604 4.240 -35.271 8.010 1.00 12.33 C ATOM 978 CZ3 TRP A 604 3.176 -34.321 9.956 1.00 23.15 C ATOM 979 CH2 TRP A 604 3.301 -34.398 8.574 1.00 24.23 C ATOM 0 HA TRP A 604 6.357 -38.561 13.838 1.00 52.13 H new ATOM 0 HB2 TRP A 604 5.172 -36.652 12.925 1.00 33.31 H new ATOM 0 HB3 TRP A 604 6.908 -36.549 12.707 1.00 33.31 H new ATOM 0 HD1 TRP A 604 7.233 -38.168 9.979 1.00 45.42 H new ATOM 0 HE1 TRP A 604 6.335 -37.246 7.727 1.00 31.44 H new ATOM 0 HE3 TRP A 604 3.811 -34.982 11.936 1.00 20.33 H new ATOM 0 HZ2 TRP A 604 4.366 -35.358 6.941 1.00 12.33 H new ATOM 0 HZ3 TRP A 604 2.442 -33.638 10.356 1.00 23.15 H new ATOM 0 HH2 TRP A 604 2.677 -33.788 7.938 1.00 24.23 H new ATOM 990 N LYS A 605 4.268 -39.810 13.604 1.00 65.43 N ATOM 991 CA LYS A 605 3.045 -40.590 13.514 1.00 44.43 C ATOM 992 C LYS A 605 1.845 -39.642 13.465 1.00 32.51 C ATOM 993 O LYS A 605 1.972 -38.458 13.769 1.00 13.53 O ATOM 994 CB LYS A 605 2.977 -41.612 14.650 1.00 74.02 C ATOM 995 CG LYS A 605 2.246 -41.034 15.864 1.00 64.21 C ATOM 996 CD LYS A 605 2.604 -41.804 17.137 1.00 63.34 C ATOM 997 CE LYS A 605 2.439 -40.922 18.376 1.00 71.41 C ATOM 998 NZ LYS A 605 2.494 -41.743 19.607 1.00 41.53 N ATOM 0 H LYS A 605 4.602 -39.649 14.554 1.00 65.43 H new ATOM 0 HA LYS A 605 3.030 -41.172 12.593 1.00 44.43 H new ATOM 0 HB2 LYS A 605 2.464 -42.510 14.306 1.00 74.02 H new ATOM 0 HB3 LYS A 605 3.985 -41.911 14.936 1.00 74.02 H new ATOM 0 HG2 LYS A 605 2.508 -39.983 15.985 1.00 64.21 H new ATOM 0 HG3 LYS A 605 1.169 -41.077 15.699 1.00 64.21 H new ATOM 0 HD2 LYS A 605 1.967 -42.684 17.225 1.00 63.34 H new ATOM 0 HD3 LYS A 605 3.632 -42.160 17.074 1.00 63.34 H new ATOM 0 HE2 LYS A 605 3.225 -40.167 18.400 1.00 71.41 H new ATOM 0 HE3 LYS A 605 1.488 -40.391 18.328 1.00 71.41 H new ATOM 0 HZ1 LYS A 605 2.380 -41.129 20.439 1.00 41.53 H new ATOM 0 HZ2 LYS A 605 1.729 -42.447 19.589 1.00 41.53 H new ATOM 0 HZ3 LYS A 605 3.411 -42.230 19.659 1.00 41.53 H new ATOM 1011 N PRO A 606 0.676 -40.215 13.070 1.00 64.40 N ATOM 1012 CA PRO A 606 -0.546 -39.435 12.978 1.00 70.43 C ATOM 1013 C PRO A 606 -1.118 -39.146 14.367 1.00 42.41 C ATOM 1014 O PRO A 606 -0.458 -39.387 15.376 1.00 30.35 O ATOM 1015 CB PRO A 606 -1.479 -40.267 12.113 1.00 71.21 C ATOM 1016 CG PRO A 606 -0.921 -41.681 12.139 1.00 75.05 C ATOM 1017 CD PRO A 606 0.489 -41.616 12.702 1.00 14.20 C ATOM 0 HA PRO A 606 -0.385 -38.452 12.536 1.00 70.43 H new ATOM 0 HB2 PRO A 606 -2.497 -40.242 12.501 1.00 71.21 H new ATOM 0 HB3 PRO A 606 -1.516 -39.880 11.095 1.00 71.21 H new ATOM 0 HG2 PRO A 606 -1.548 -42.327 12.753 1.00 75.05 H new ATOM 0 HG3 PRO A 606 -0.912 -42.106 11.135 1.00 75.05 H new ATOM 0 HD2 PRO A 606 0.601 -42.271 13.566 1.00 14.20 H new ATOM 0 HD3 PRO A 606 1.225 -41.933 11.964 1.00 14.20 H new ATOM 1025 N GLY A 607 -2.339 -38.632 14.374 1.00 40.33 N ATOM 1026 CA GLY A 607 -3.007 -38.307 15.622 1.00 12.54 C ATOM 1027 C GLY A 607 -4.525 -38.438 15.482 1.00 11.34 C ATOM 1028 O GLY A 607 -5.119 -39.390 15.986 1.00 25.11 O ATOM 0 H GLY A 607 -2.883 -38.433 13.535 1.00 40.33 H new ATOM 0 HA2 GLY A 607 -2.653 -38.970 16.412 1.00 12.54 H new ATOM 0 HA3 GLY A 607 -2.752 -37.290 15.921 1.00 12.54 H new ATOM 1032 N GLY A 608 -5.110 -37.467 14.796 1.00 70.23 N ATOM 1033 CA GLY A 608 -6.547 -37.462 14.583 1.00 34.31 C ATOM 1034 C GLY A 608 -6.987 -36.199 13.840 1.00 74.54 C ATOM 1035 O GLY A 608 -6.257 -35.211 13.802 1.00 43.31 O ATOM 0 H GLY A 608 -4.615 -36.678 14.380 1.00 70.23 H new ATOM 0 HA2 GLY A 608 -6.837 -38.344 14.011 1.00 34.31 H new ATOM 0 HA3 GLY A 608 -7.061 -37.521 15.543 1.00 34.31 H new ATOM 1039 N VAL A 609 -8.180 -36.274 13.266 1.00 4.24 N ATOM 1040 CA VAL A 609 -8.726 -35.149 12.526 1.00 24.01 C ATOM 1041 C VAL A 609 -8.941 -33.972 13.480 1.00 20.42 C ATOM 1042 O VAL A 609 -9.513 -34.138 14.556 1.00 14.12 O ATOM 1043 CB VAL A 609 -10.004 -35.572 11.800 1.00 52.31 C ATOM 1044 CG1 VAL A 609 -10.432 -34.513 10.782 1.00 40.32 C ATOM 1045 CG2 VAL A 609 -9.829 -36.936 11.131 1.00 72.50 C ATOM 0 H VAL A 609 -8.783 -37.096 13.299 1.00 4.24 H new ATOM 0 HA VAL A 609 -8.026 -34.820 11.758 1.00 24.01 H new ATOM 0 HB VAL A 609 -10.797 -35.663 12.543 1.00 52.31 H new ATOM 0 HG11 VAL A 609 -11.343 -34.838 10.280 1.00 40.32 H new ATOM 0 HG12 VAL A 609 -10.618 -33.569 11.295 1.00 40.32 H new ATOM 0 HG13 VAL A 609 -9.641 -34.376 10.045 1.00 40.32 H new ATOM 0 HG21 VAL A 609 -10.752 -37.213 10.622 1.00 72.50 H new ATOM 0 HG22 VAL A 609 -9.017 -36.884 10.406 1.00 72.50 H new ATOM 0 HG23 VAL A 609 -9.593 -37.685 11.887 1.00 72.50 H new ATOM 1055 N ILE A 610 -8.471 -32.810 13.051 1.00 23.52 N ATOM 1056 CA ILE A 610 -8.605 -31.607 13.854 1.00 43.42 C ATOM 1057 C ILE A 610 -9.786 -30.783 13.337 1.00 61.02 C ATOM 1058 O ILE A 610 -10.018 -30.713 12.131 1.00 72.41 O ATOM 1059 CB ILE A 610 -7.284 -30.835 13.886 1.00 11.34 C ATOM 1060 CG1 ILE A 610 -6.091 -31.783 13.746 1.00 53.45 C ATOM 1061 CG2 ILE A 610 -7.185 -29.971 15.146 1.00 64.34 C ATOM 1062 CD1 ILE A 610 -4.805 -31.124 14.248 1.00 51.42 C ATOM 0 H ILE A 610 -7.997 -32.676 12.158 1.00 23.52 H new ATOM 0 HA ILE A 610 -8.824 -31.863 14.891 1.00 43.42 H new ATOM 0 HB ILE A 610 -7.261 -30.161 13.030 1.00 11.34 H new ATOM 0 HG12 ILE A 610 -6.280 -32.696 14.310 1.00 53.45 H new ATOM 0 HG13 ILE A 610 -5.972 -32.072 12.702 1.00 53.45 H new ATOM 0 HG21 ILE A 610 -6.237 -29.433 15.145 1.00 64.34 H new ATOM 0 HG22 ILE A 610 -8.008 -29.257 15.163 1.00 64.34 H new ATOM 0 HG23 ILE A 610 -7.239 -30.608 16.029 1.00 64.34 H new ATOM 0 HD11 ILE A 610 -3.973 -31.819 14.137 1.00 51.42 H new ATOM 0 HD12 ILE A 610 -4.606 -30.224 13.666 1.00 51.42 H new ATOM 0 HD13 ILE A 610 -4.919 -30.859 15.299 1.00 51.42 H new ATOM 1074 N SER A 611 -10.501 -30.180 14.275 1.00 50.31 N ATOM 1075 CA SER A 611 -11.652 -29.364 13.929 1.00 15.42 C ATOM 1076 C SER A 611 -11.619 -28.051 14.715 1.00 23.32 C ATOM 1077 O SER A 611 -11.466 -28.058 15.936 1.00 73.43 O ATOM 1078 CB SER A 611 -12.959 -30.112 14.201 1.00 52.41 C ATOM 1079 OG SER A 611 -12.774 -31.525 14.206 1.00 12.45 O ATOM 0 H SER A 611 -10.306 -30.240 15.274 1.00 50.31 H new ATOM 0 HA SER A 611 -11.606 -29.143 12.863 1.00 15.42 H new ATOM 0 HB2 SER A 611 -13.364 -29.796 15.162 1.00 52.41 H new ATOM 0 HB3 SER A 611 -13.694 -29.845 13.442 1.00 52.41 H new ATOM 0 HG SER A 611 -12.300 -31.790 15.022 1.00 12.45 H new ATOM 1085 N CYS A 612 -11.763 -26.956 13.983 1.00 35.53 N ATOM 1086 CA CYS A 612 -11.751 -25.639 14.597 1.00 75.33 C ATOM 1087 C CYS A 612 -12.885 -25.577 15.623 1.00 43.23 C ATOM 1088 O CYS A 612 -14.057 -25.522 15.255 1.00 12.31 O ATOM 1089 CB CYS A 612 -11.866 -24.528 13.552 1.00 43.44 C ATOM 1090 SG CYS A 612 -11.634 -22.834 14.205 1.00 54.25 S ATOM 0 H CYS A 612 -11.889 -26.954 12.971 1.00 35.53 H new ATOM 0 HA CYS A 612 -10.798 -25.478 15.100 1.00 75.33 H new ATOM 0 HB2 CYS A 612 -11.127 -24.705 12.771 1.00 43.44 H new ATOM 0 HB3 CYS A 612 -12.848 -24.590 13.083 1.00 43.44 H new ATOM 0 HG CYS A 612 -11.032 -22.104 13.314 1.00 54.25 H new ATOM 1095 N ARG A 613 -12.495 -25.587 16.889 1.00 61.41 N ATOM 1096 CA ARG A 613 -13.463 -25.533 17.971 1.00 55.44 C ATOM 1097 C ARG A 613 -14.206 -24.195 17.951 1.00 1.11 C ATOM 1098 O ARG A 613 -15.382 -24.128 18.306 1.00 24.34 O ATOM 1099 CB ARG A 613 -12.783 -25.710 19.329 1.00 24.31 C ATOM 1100 CG ARG A 613 -13.724 -25.319 20.470 1.00 51.42 C ATOM 1101 CD ARG A 613 -13.143 -25.727 21.825 1.00 32.10 C ATOM 1102 NE ARG A 613 -14.221 -26.228 22.707 1.00 4.13 N ATOM 1103 CZ ARG A 613 -14.007 -26.824 23.900 1.00 62.15 C ATOM 1104 NH1 ARG A 613 -12.751 -26.999 24.363 1.00 61.24 N ATOM 1105 NH2 ARG A 613 -15.044 -27.233 24.606 1.00 73.54 N ATOM 0 H ARG A 613 -11.521 -25.632 17.190 1.00 61.41 H new ATOM 0 HA ARG A 613 -14.171 -26.349 17.824 1.00 55.44 H new ATOM 0 HB2 ARG A 613 -12.470 -26.747 19.450 1.00 24.31 H new ATOM 0 HB3 ARG A 613 -11.882 -25.098 19.371 1.00 24.31 H new ATOM 0 HG2 ARG A 613 -13.894 -24.243 20.453 1.00 51.42 H new ATOM 0 HG3 ARG A 613 -14.693 -25.797 20.327 1.00 51.42 H new ATOM 0 HD2 ARG A 613 -12.386 -26.499 21.688 1.00 32.10 H new ATOM 0 HD3 ARG A 613 -12.648 -24.874 22.290 1.00 32.10 H new ATOM 0 HE ARG A 613 -15.185 -26.116 22.394 1.00 4.13 H new ATOM 0 HH11 ARG A 613 -11.955 -26.680 23.811 1.00 61.24 H new ATOM 0 HH12 ARG A 613 -12.598 -27.450 25.265 1.00 61.24 H new ATOM 0 HH21 ARG A 613 -15.990 -27.097 24.249 1.00 73.54 H new ATOM 0 HH22 ARG A 613 -14.900 -27.685 25.509 1.00 73.54 H new ATOM 1118 N ASN A 614 -13.489 -23.163 17.532 1.00 1.43 N ATOM 1119 CA ASN A 614 -14.065 -21.830 17.462 1.00 71.53 C ATOM 1120 C ASN A 614 -15.295 -21.859 16.552 1.00 32.14 C ATOM 1121 O ASN A 614 -16.353 -21.348 16.917 1.00 41.23 O ATOM 1122 CB ASN A 614 -13.067 -20.829 16.876 1.00 35.22 C ATOM 1123 CG ASN A 614 -12.227 -20.183 17.980 1.00 72.34 C ATOM 1124 OD1 ASN A 614 -11.008 -20.182 17.947 1.00 44.25 O ATOM 1125 ND2 ASN A 614 -12.945 -19.636 18.956 1.00 32.12 N ATOM 0 H ASN A 614 -12.514 -23.222 17.237 1.00 1.43 H new ATOM 0 HA ASN A 614 -14.331 -21.523 18.474 1.00 71.53 H new ATOM 0 HB2 ASN A 614 -12.413 -21.335 16.166 1.00 35.22 H new ATOM 0 HB3 ASN A 614 -13.602 -20.057 16.323 1.00 35.22 H new ATOM 0 HD21 ASN A 614 -12.477 -19.180 19.739 1.00 32.12 H new ATOM 0 HD22 ASN A 614 -13.964 -19.672 18.922 1.00 32.12 H new ATOM 1132 N CYS A 615 -15.116 -22.462 15.386 1.00 24.14 N ATOM 1133 CA CYS A 615 -16.198 -22.564 14.422 1.00 23.11 C ATOM 1134 C CYS A 615 -16.505 -24.046 14.200 1.00 61.33 C ATOM 1135 O CYS A 615 -17.522 -24.551 14.672 1.00 13.35 O ATOM 1136 CB CYS A 615 -15.858 -21.849 13.113 1.00 40.01 C ATOM 1137 SG CYS A 615 -14.886 -20.311 13.308 1.00 0.15 S ATOM 0 H CYS A 615 -14.237 -22.885 15.087 1.00 24.14 H new ATOM 0 HA CYS A 615 -17.085 -22.065 14.812 1.00 23.11 H new ATOM 0 HB2 CYS A 615 -15.302 -22.535 12.475 1.00 40.01 H new ATOM 0 HB3 CYS A 615 -16.786 -21.612 12.593 1.00 40.01 H new ATOM 0 HG CYS A 615 -13.883 -20.530 14.105 1.00 0.15 H new ATOM 1142 N GLY A 616 -15.607 -24.702 13.480 1.00 23.50 N ATOM 1143 CA GLY A 616 -15.769 -26.117 13.189 1.00 10.13 C ATOM 1144 C GLY A 616 -14.979 -26.514 11.941 1.00 62.22 C ATOM 1145 O GLY A 616 -14.625 -27.680 11.771 1.00 51.14 O ATOM 0 H GLY A 616 -14.765 -24.280 13.089 1.00 23.50 H new ATOM 0 HA2 GLY A 616 -15.432 -26.708 14.041 1.00 10.13 H new ATOM 0 HA3 GLY A 616 -16.825 -26.343 13.042 1.00 10.13 H new ATOM 1149 N GLU A 617 -14.725 -25.523 11.099 1.00 12.45 N ATOM 1150 CA GLU A 617 -13.983 -25.754 9.872 1.00 74.03 C ATOM 1151 C GLU A 617 -12.790 -26.674 10.138 1.00 73.12 C ATOM 1152 O GLU A 617 -11.821 -26.270 10.777 1.00 5.42 O ATOM 1153 CB GLU A 617 -13.529 -24.433 9.249 1.00 44.25 C ATOM 1154 CG GLU A 617 -13.132 -24.625 7.783 1.00 31.44 C ATOM 1155 CD GLU A 617 -14.368 -24.682 6.884 1.00 73.23 C ATOM 1156 OE1 GLU A 617 -15.223 -23.786 6.947 1.00 32.25 O ATOM 1157 OE2 GLU A 617 -14.423 -25.702 6.096 1.00 61.31 O ATOM 0 H GLU A 617 -15.020 -24.557 11.243 1.00 12.45 H new ATOM 0 HA GLU A 617 -14.644 -26.246 9.158 1.00 74.03 H new ATOM 0 HB2 GLU A 617 -14.332 -23.699 9.319 1.00 44.25 H new ATOM 0 HB3 GLU A 617 -12.683 -24.034 9.809 1.00 44.25 H new ATOM 0 HG2 GLU A 617 -12.486 -23.806 7.467 1.00 31.44 H new ATOM 0 HG3 GLU A 617 -12.557 -25.545 7.676 1.00 31.44 H new ATOM 1165 N VAL A 618 -12.901 -27.894 9.634 1.00 62.33 N ATOM 1166 CA VAL A 618 -11.843 -28.875 9.809 1.00 71.11 C ATOM 1167 C VAL A 618 -10.541 -28.325 9.224 1.00 40.42 C ATOM 1168 O VAL A 618 -10.521 -27.836 8.095 1.00 12.43 O ATOM 1169 CB VAL A 618 -12.260 -30.210 9.189 1.00 64.41 C ATOM 1170 CG1 VAL A 618 -11.041 -31.097 8.927 1.00 63.21 C ATOM 1171 CG2 VAL A 618 -13.282 -30.930 10.072 1.00 44.34 C ATOM 0 H VAL A 618 -13.707 -28.226 9.104 1.00 62.33 H new ATOM 0 HA VAL A 618 -11.669 -29.064 10.868 1.00 71.11 H new ATOM 0 HB VAL A 618 -12.735 -30.000 8.230 1.00 64.41 H new ATOM 0 HG11 VAL A 618 -11.365 -32.040 8.486 1.00 63.21 H new ATOM 0 HG12 VAL A 618 -10.363 -30.590 8.241 1.00 63.21 H new ATOM 0 HG13 VAL A 618 -10.526 -31.294 9.867 1.00 63.21 H new ATOM 0 HG21 VAL A 618 -13.561 -31.876 9.608 1.00 44.34 H new ATOM 0 HG22 VAL A 618 -12.845 -31.122 11.052 1.00 44.34 H new ATOM 0 HG23 VAL A 618 -14.168 -30.306 10.186 1.00 44.34 H new ATOM 1181 N TRP A 619 -9.485 -28.423 10.018 1.00 42.43 N ATOM 1182 CA TRP A 619 -8.182 -27.940 9.593 1.00 63.54 C ATOM 1183 C TRP A 619 -7.477 -29.077 8.849 1.00 4.13 C ATOM 1184 O TRP A 619 -6.913 -28.866 7.776 1.00 34.23 O ATOM 1185 CB TRP A 619 -7.377 -27.415 10.783 1.00 42.54 C ATOM 1186 CG TRP A 619 -7.960 -26.151 11.418 1.00 4.24 C ATOM 1187 CD1 TRP A 619 -8.745 -25.227 10.848 1.00 71.12 C ATOM 1188 CD2 TRP A 619 -7.770 -25.707 12.778 1.00 11.44 C ATOM 1189 NE1 TRP A 619 -9.074 -24.224 11.737 1.00 73.12 N ATOM 1190 CE2 TRP A 619 -8.463 -24.525 12.948 1.00 24.21 C ATOM 1191 CE3 TRP A 619 -7.038 -26.284 13.830 1.00 22.35 C ATOM 1192 CZ2 TRP A 619 -8.491 -23.820 14.157 1.00 32.24 C ATOM 1193 CZ3 TRP A 619 -7.076 -25.567 15.033 1.00 74.45 C ATOM 1194 CH2 TRP A 619 -7.769 -24.377 15.219 1.00 4.35 C ATOM 0 H TRP A 619 -9.505 -28.830 10.953 1.00 42.43 H new ATOM 0 HA TRP A 619 -8.286 -27.092 8.916 1.00 63.54 H new ATOM 0 HB2 TRP A 619 -7.317 -28.196 11.541 1.00 42.54 H new ATOM 0 HB3 TRP A 619 -6.358 -27.209 10.457 1.00 42.54 H new ATOM 0 HD1 TRP A 619 -9.079 -25.263 9.821 1.00 71.12 H new ATOM 0 HE1 TRP A 619 -9.658 -23.411 11.541 1.00 73.12 H new ATOM 0 HE3 TRP A 619 -6.489 -27.208 13.720 1.00 22.35 H new ATOM 0 HZ2 TRP A 619 -9.040 -22.896 14.265 1.00 32.24 H new ATOM 0 HZ3 TRP A 619 -6.529 -25.967 15.874 1.00 74.45 H new ATOM 0 HH2 TRP A 619 -7.751 -23.884 16.180 1.00 4.35 H new ATOM 1205 N GLY A 620 -7.531 -30.257 9.449 1.00 3.25 N ATOM 1206 CA GLY A 620 -6.904 -31.427 8.858 1.00 52.22 C ATOM 1207 C GLY A 620 -6.802 -32.566 9.874 1.00 63.55 C ATOM 1208 O GLY A 620 -7.808 -33.177 10.230 1.00 30.14 O ATOM 0 H GLY A 620 -8.000 -30.428 10.339 1.00 3.25 H new ATOM 0 HA2 GLY A 620 -7.481 -31.756 7.994 1.00 52.22 H new ATOM 0 HA3 GLY A 620 -5.909 -31.167 8.496 1.00 52.22 H new ATOM 1212 N LEU A 621 -5.577 -32.819 10.310 1.00 5.44 N ATOM 1213 CA LEU A 621 -5.329 -33.874 11.278 1.00 74.10 C ATOM 1214 C LEU A 621 -4.126 -33.495 12.144 1.00 53.12 C ATOM 1215 O LEU A 621 -3.423 -32.530 11.847 1.00 31.14 O ATOM 1216 CB LEU A 621 -5.178 -35.223 10.572 1.00 34.23 C ATOM 1217 CG LEU A 621 -4.010 -35.340 9.592 1.00 63.22 C ATOM 1218 CD1 LEU A 621 -2.690 -34.956 10.264 1.00 40.25 C ATOM 1219 CD2 LEU A 621 -3.952 -36.738 8.972 1.00 4.11 C ATOM 0 H LEU A 621 -4.745 -32.311 10.011 1.00 5.44 H new ATOM 0 HA LEU A 621 -6.182 -33.984 11.948 1.00 74.10 H new ATOM 0 HB2 LEU A 621 -5.068 -35.998 11.331 1.00 34.23 H new ATOM 0 HB3 LEU A 621 -6.101 -35.434 10.033 1.00 34.23 H new ATOM 0 HG LEU A 621 -4.175 -34.634 8.778 1.00 63.22 H new ATOM 0 HD11 LEU A 621 -1.876 -35.048 9.545 1.00 40.25 H new ATOM 0 HD12 LEU A 621 -2.748 -33.927 10.617 1.00 40.25 H new ATOM 0 HD13 LEU A 621 -2.505 -35.620 11.109 1.00 40.25 H new ATOM 0 HD21 LEU A 621 -3.112 -36.794 8.279 1.00 4.11 H new ATOM 0 HD22 LEU A 621 -3.823 -37.480 9.760 1.00 4.11 H new ATOM 0 HD23 LEU A 621 -4.880 -36.937 8.435 1.00 4.11 H new ATOM 1231 N GLN A 622 -3.926 -34.274 13.197 1.00 54.13 N ATOM 1232 CA GLN A 622 -2.820 -34.032 14.108 1.00 55.24 C ATOM 1233 C GLN A 622 -1.713 -35.064 13.884 1.00 34.14 C ATOM 1234 O GLN A 622 -1.992 -36.247 13.692 1.00 50.52 O ATOM 1235 CB GLN A 622 -3.295 -34.043 15.562 1.00 55.01 C ATOM 1236 CG GLN A 622 -2.600 -32.949 16.374 1.00 24.14 C ATOM 1237 CD GLN A 622 -2.526 -33.329 17.855 1.00 53.52 C ATOM 1238 OE1 GLN A 622 -1.543 -33.866 18.337 1.00 45.15 O ATOM 1239 NE2 GLN A 622 -3.619 -33.020 18.547 1.00 11.11 N ATOM 0 H GLN A 622 -4.511 -35.073 13.440 1.00 54.13 H new ATOM 0 HA GLN A 622 -2.414 -33.042 13.901 1.00 55.24 H new ATOM 0 HB2 GLN A 622 -4.375 -33.896 15.597 1.00 55.01 H new ATOM 0 HB3 GLN A 622 -3.091 -35.017 16.008 1.00 55.01 H new ATOM 0 HG2 GLN A 622 -1.595 -32.786 15.986 1.00 24.14 H new ATOM 0 HG3 GLN A 622 -3.141 -32.009 16.262 1.00 24.14 H new ATOM 0 HE21 GLN A 622 -4.407 -32.571 18.081 1.00 11.11 H new ATOM 0 HE22 GLN A 622 -3.669 -33.232 19.543 1.00 11.11 H new ATOM 1248 N MET A 623 -0.481 -34.579 13.918 1.00 62.31 N ATOM 1249 CA MET A 623 0.669 -35.445 13.722 1.00 65.23 C ATOM 1250 C MET A 623 1.722 -35.214 14.808 1.00 14.23 C ATOM 1251 O MET A 623 2.062 -34.072 15.114 1.00 24.33 O ATOM 1252 CB MET A 623 1.285 -35.173 12.348 1.00 5.40 C ATOM 1253 CG MET A 623 0.219 -35.209 11.252 1.00 54.31 C ATOM 1254 SD MET A 623 0.051 -36.869 10.618 1.00 50.23 S ATOM 1255 CE MET A 623 1.174 -36.786 9.233 1.00 72.44 C ATOM 0 H MET A 623 -0.254 -33.598 14.078 1.00 62.31 H new ATOM 0 HA MET A 623 0.334 -36.481 13.782 1.00 65.23 H new ATOM 0 HB2 MET A 623 1.775 -34.199 12.352 1.00 5.40 H new ATOM 0 HB3 MET A 623 2.054 -35.916 12.137 1.00 5.40 H new ATOM 0 HG2 MET A 623 -0.735 -34.865 11.650 1.00 54.31 H new ATOM 0 HG3 MET A 623 0.492 -34.529 10.445 1.00 54.31 H new ATOM 0 HE1 MET A 623 0.940 -37.583 8.527 1.00 72.44 H new ATOM 0 HE2 MET A 623 1.070 -35.820 8.738 1.00 72.44 H new ATOM 0 HE3 MET A 623 2.198 -36.904 9.587 1.00 72.44 H new ATOM 1265 N ILE A 624 2.207 -36.316 15.361 1.00 11.45 N ATOM 1266 CA ILE A 624 3.213 -36.247 16.407 1.00 22.23 C ATOM 1267 C ILE A 624 4.592 -36.515 15.801 1.00 60.43 C ATOM 1268 O ILE A 624 4.746 -37.410 14.971 1.00 75.23 O ATOM 1269 CB ILE A 624 2.854 -37.189 17.559 1.00 42.42 C ATOM 1270 CG1 ILE A 624 1.507 -36.809 18.177 1.00 21.43 C ATOM 1271 CG2 ILE A 624 3.973 -37.230 18.602 1.00 34.10 C ATOM 1272 CD1 ILE A 624 0.352 -37.471 17.423 1.00 31.03 C ATOM 0 H ILE A 624 1.922 -37.261 15.104 1.00 11.45 H new ATOM 0 HA ILE A 624 3.244 -35.247 16.841 1.00 22.23 H new ATOM 0 HB ILE A 624 2.751 -38.197 17.158 1.00 42.42 H new ATOM 0 HG12 ILE A 624 1.484 -37.113 19.224 1.00 21.43 H new ATOM 0 HG13 ILE A 624 1.386 -35.726 18.157 1.00 21.43 H new ATOM 0 HG21 ILE A 624 3.693 -37.906 19.410 1.00 34.10 H new ATOM 0 HG22 ILE A 624 4.893 -37.583 18.135 1.00 34.10 H new ATOM 0 HG23 ILE A 624 4.132 -36.230 19.005 1.00 34.10 H new ATOM 0 HD11 ILE A 624 -0.594 -37.185 17.882 1.00 31.03 H new ATOM 0 HD12 ILE A 624 0.363 -37.146 16.383 1.00 31.03 H new ATOM 0 HD13 ILE A 624 0.463 -38.554 17.466 1.00 31.03 H new ATOM 1284 N TYR A 625 5.560 -35.724 16.239 1.00 40.13 N ATOM 1285 CA TYR A 625 6.921 -35.865 15.749 1.00 11.32 C ATOM 1286 C TYR A 625 7.929 -35.767 16.896 1.00 10.40 C ATOM 1287 O TYR A 625 8.190 -34.678 17.406 1.00 23.32 O ATOM 1288 CB TYR A 625 7.146 -34.697 14.787 1.00 51.30 C ATOM 1289 CG TYR A 625 8.620 -34.395 14.508 1.00 73.51 C ATOM 1290 CD1 TYR A 625 9.273 -35.041 13.478 1.00 70.33 C ATOM 1291 CD2 TYR A 625 9.296 -33.478 15.286 1.00 70.00 C ATOM 1292 CE1 TYR A 625 10.660 -34.758 13.215 1.00 41.10 C ATOM 1293 CE2 TYR A 625 10.683 -33.195 15.023 1.00 1.42 C ATOM 1294 CZ TYR A 625 11.297 -33.848 14.001 1.00 73.43 C ATOM 1295 OH TYR A 625 12.607 -33.581 13.753 1.00 52.35 O ATOM 0 H TYR A 625 5.429 -34.983 16.928 1.00 40.13 H new ATOM 0 HA TYR A 625 7.058 -36.834 15.269 1.00 11.32 H new ATOM 0 HB2 TYR A 625 6.646 -34.915 13.844 1.00 51.30 H new ATOM 0 HB3 TYR A 625 6.675 -33.805 15.199 1.00 51.30 H new ATOM 0 HD1 TYR A 625 8.744 -35.759 12.869 1.00 70.33 H new ATOM 0 HD2 TYR A 625 8.785 -32.973 16.092 1.00 70.00 H new ATOM 0 HE1 TYR A 625 11.183 -35.257 12.412 1.00 41.10 H new ATOM 0 HE2 TYR A 625 11.224 -32.479 15.625 1.00 1.42 H new ATOM 0 HH TYR A 625 12.931 -32.912 14.391 1.00 52.35 H new ATOM 1305 N LYS A 626 8.468 -36.918 17.268 1.00 72.41 N ATOM 1306 CA LYS A 626 9.441 -36.976 18.345 1.00 24.10 C ATOM 1307 C LYS A 626 8.739 -36.705 19.677 1.00 73.51 C ATOM 1308 O LYS A 626 9.378 -36.315 20.652 1.00 4.12 O ATOM 1309 CB LYS A 626 10.610 -36.029 18.063 1.00 74.35 C ATOM 1310 CG LYS A 626 11.058 -36.132 16.603 1.00 11.32 C ATOM 1311 CD LYS A 626 11.839 -37.424 16.359 1.00 21.31 C ATOM 1312 CE LYS A 626 10.908 -38.550 15.904 1.00 42.24 C ATOM 1313 NZ LYS A 626 11.626 -39.487 15.011 1.00 25.35 N ATOM 0 H LYS A 626 8.249 -37.819 16.842 1.00 72.41 H new ATOM 0 HA LYS A 626 9.876 -37.973 18.411 1.00 24.10 H new ATOM 0 HB2 LYS A 626 10.314 -35.004 18.285 1.00 74.35 H new ATOM 0 HB3 LYS A 626 11.445 -36.270 18.721 1.00 74.35 H new ATOM 0 HG2 LYS A 626 10.187 -36.100 15.949 1.00 11.32 H new ATOM 0 HG3 LYS A 626 11.679 -35.274 16.348 1.00 11.32 H new ATOM 0 HD2 LYS A 626 12.605 -37.253 15.603 1.00 21.31 H new ATOM 0 HD3 LYS A 626 12.354 -37.720 17.273 1.00 21.31 H new ATOM 0 HE2 LYS A 626 10.525 -39.087 16.772 1.00 42.24 H new ATOM 0 HE3 LYS A 626 10.047 -38.130 15.384 1.00 42.24 H new ATOM 0 HZ1 LYS A 626 10.980 -40.245 14.711 1.00 25.35 H new ATOM 0 HZ2 LYS A 626 11.970 -38.974 14.174 1.00 25.35 H new ATOM 0 HZ3 LYS A 626 12.433 -39.901 15.519 1.00 25.35 H new ATOM 1326 N SER A 627 7.432 -36.924 19.675 1.00 51.10 N ATOM 1327 CA SER A 627 6.635 -36.708 20.871 1.00 64.50 C ATOM 1328 C SER A 627 6.212 -35.241 20.960 1.00 34.02 C ATOM 1329 O SER A 627 6.200 -34.659 22.044 1.00 71.31 O ATOM 1330 CB SER A 627 7.408 -37.115 22.128 1.00 74.24 C ATOM 1331 OG SER A 627 8.152 -36.029 22.672 1.00 51.31 O ATOM 0 H SER A 627 6.905 -37.249 18.864 1.00 51.10 H new ATOM 0 HA SER A 627 5.744 -37.333 20.806 1.00 64.50 H new ATOM 0 HB2 SER A 627 6.710 -37.488 22.878 1.00 74.24 H new ATOM 0 HB3 SER A 627 8.086 -37.934 21.888 1.00 74.24 H new ATOM 0 HG SER A 627 8.712 -35.633 21.972 1.00 51.31 H new ATOM 1337 N VAL A 628 5.874 -34.685 19.806 1.00 12.31 N ATOM 1338 CA VAL A 628 5.450 -33.296 19.740 1.00 23.31 C ATOM 1339 C VAL A 628 4.132 -33.206 18.969 1.00 50.20 C ATOM 1340 O VAL A 628 4.100 -33.423 17.759 1.00 65.03 O ATOM 1341 CB VAL A 628 6.561 -32.439 19.129 1.00 74.12 C ATOM 1342 CG1 VAL A 628 6.041 -31.047 18.765 1.00 73.14 C ATOM 1343 CG2 VAL A 628 7.763 -32.347 20.070 1.00 0.44 C ATOM 0 H VAL A 628 5.885 -35.171 18.909 1.00 12.31 H new ATOM 0 HA VAL A 628 5.268 -32.903 20.740 1.00 23.31 H new ATOM 0 HB VAL A 628 6.892 -32.924 18.211 1.00 74.12 H new ATOM 0 HG11 VAL A 628 6.850 -30.458 18.333 1.00 73.14 H new ATOM 0 HG12 VAL A 628 5.232 -31.139 18.040 1.00 73.14 H new ATOM 0 HG13 VAL A 628 5.670 -30.551 19.662 1.00 73.14 H new ATOM 0 HG21 VAL A 628 8.538 -31.733 19.612 1.00 0.44 H new ATOM 0 HG22 VAL A 628 7.453 -31.897 21.013 1.00 0.44 H new ATOM 0 HG23 VAL A 628 8.156 -33.346 20.257 1.00 0.44 H new ATOM 1353 N LYS A 629 3.076 -32.885 19.702 1.00 52.35 N ATOM 1354 CA LYS A 629 1.758 -32.763 19.102 1.00 50.24 C ATOM 1355 C LYS A 629 1.733 -31.542 18.179 1.00 23.50 C ATOM 1356 O LYS A 629 1.581 -30.413 18.642 1.00 45.02 O ATOM 1357 CB LYS A 629 0.677 -32.737 20.184 1.00 72.51 C ATOM 1358 CG LYS A 629 0.766 -33.977 21.077 1.00 52.31 C ATOM 1359 CD LYS A 629 -0.068 -35.125 20.505 1.00 30.35 C ATOM 1360 CE LYS A 629 -1.515 -35.051 20.998 1.00 5.44 C ATOM 1361 NZ LYS A 629 -1.590 -35.391 22.437 1.00 51.32 N ATOM 0 H LYS A 629 3.106 -32.706 20.706 1.00 52.35 H new ATOM 0 HA LYS A 629 1.539 -33.634 18.485 1.00 50.24 H new ATOM 0 HB2 LYS A 629 0.786 -31.838 20.791 1.00 72.51 H new ATOM 0 HB3 LYS A 629 -0.308 -32.689 19.719 1.00 72.51 H new ATOM 0 HG2 LYS A 629 1.806 -34.289 21.169 1.00 52.31 H new ATOM 0 HG3 LYS A 629 0.416 -33.733 22.080 1.00 52.31 H new ATOM 0 HD2 LYS A 629 -0.049 -35.086 19.416 1.00 30.35 H new ATOM 0 HD3 LYS A 629 0.371 -36.079 20.797 1.00 30.35 H new ATOM 0 HE2 LYS A 629 -1.911 -34.049 20.834 1.00 5.44 H new ATOM 0 HE3 LYS A 629 -2.137 -35.737 20.423 1.00 5.44 H new ATOM 0 HZ1 LYS A 629 -2.551 -35.716 22.667 1.00 51.32 H new ATOM 0 HZ2 LYS A 629 -0.908 -36.147 22.651 1.00 51.32 H new ATOM 0 HZ3 LYS A 629 -1.364 -34.550 23.005 1.00 51.32 H new ATOM 1374 N LEU A 630 1.885 -31.811 16.891 1.00 71.44 N ATOM 1375 CA LEU A 630 1.882 -30.749 15.899 1.00 70.40 C ATOM 1376 C LEU A 630 0.671 -30.919 14.980 1.00 71.45 C ATOM 1377 O LEU A 630 0.605 -31.872 14.204 1.00 52.53 O ATOM 1378 CB LEU A 630 3.218 -30.708 15.155 1.00 41.43 C ATOM 1379 CG LEU A 630 4.472 -30.644 16.030 1.00 54.33 C ATOM 1380 CD1 LEU A 630 5.739 -30.759 15.181 1.00 62.40 C ATOM 1381 CD2 LEU A 630 4.473 -29.381 16.894 1.00 45.14 C ATOM 0 H LEU A 630 2.011 -32.749 16.511 1.00 71.44 H new ATOM 0 HA LEU A 630 1.782 -29.777 16.382 1.00 70.40 H new ATOM 0 HB2 LEU A 630 3.286 -31.593 14.522 1.00 41.43 H new ATOM 0 HB3 LEU A 630 3.216 -29.842 14.493 1.00 41.43 H new ATOM 0 HG LEU A 630 4.460 -31.498 16.708 1.00 54.33 H new ATOM 0 HD11 LEU A 630 6.616 -30.711 15.827 1.00 62.40 H new ATOM 0 HD12 LEU A 630 5.734 -31.709 14.647 1.00 62.40 H new ATOM 0 HD13 LEU A 630 5.772 -29.939 14.463 1.00 62.40 H new ATOM 0 HD21 LEU A 630 5.375 -29.360 17.506 1.00 45.14 H new ATOM 0 HD22 LEU A 630 4.450 -28.501 16.252 1.00 45.14 H new ATOM 0 HD23 LEU A 630 3.595 -29.382 17.540 1.00 45.14 H new ATOM 1393 N PRO A 631 -0.282 -29.957 15.100 1.00 1.42 N ATOM 1394 CA PRO A 631 -1.487 -29.991 14.289 1.00 11.53 C ATOM 1395 C PRO A 631 -1.191 -29.566 12.849 1.00 34.23 C ATOM 1396 O PRO A 631 -0.407 -28.647 12.618 1.00 73.11 O ATOM 1397 CB PRO A 631 -2.462 -29.061 14.994 1.00 21.41 C ATOM 1398 CG PRO A 631 -1.618 -28.186 15.907 1.00 61.43 C ATOM 1399 CD PRO A 631 -0.237 -28.814 16.008 1.00 34.33 C ATOM 0 HA PRO A 631 -1.906 -30.993 14.200 1.00 11.53 H new ATOM 0 HB2 PRO A 631 -3.014 -28.456 14.275 1.00 21.41 H new ATOM 0 HB3 PRO A 631 -3.197 -29.627 15.566 1.00 21.41 H new ATOM 0 HG2 PRO A 631 -1.549 -27.174 15.509 1.00 61.43 H new ATOM 0 HG3 PRO A 631 -2.076 -28.110 16.893 1.00 61.43 H new ATOM 0 HD2 PRO A 631 0.541 -28.108 15.718 1.00 34.33 H new ATOM 0 HD3 PRO A 631 -0.018 -29.128 17.029 1.00 34.33 H new ATOM 1407 N VAL A 632 -1.835 -30.256 11.919 1.00 41.20 N ATOM 1408 CA VAL A 632 -1.651 -29.962 10.508 1.00 42.21 C ATOM 1409 C VAL A 632 -2.894 -29.248 9.974 1.00 40.51 C ATOM 1410 O VAL A 632 -3.901 -29.887 9.675 1.00 15.14 O ATOM 1411 CB VAL A 632 -1.325 -31.247 9.744 1.00 51.22 C ATOM 1412 CG1 VAL A 632 -0.784 -30.932 8.348 1.00 61.22 C ATOM 1413 CG2 VAL A 632 -0.343 -32.118 10.529 1.00 3.35 C ATOM 0 H VAL A 632 -2.485 -31.018 12.115 1.00 41.20 H new ATOM 0 HA VAL A 632 -0.804 -29.291 10.365 1.00 42.21 H new ATOM 0 HB VAL A 632 -2.251 -31.810 9.626 1.00 51.22 H new ATOM 0 HG11 VAL A 632 -0.560 -31.862 7.826 1.00 61.22 H new ATOM 0 HG12 VAL A 632 -1.531 -30.371 7.786 1.00 61.22 H new ATOM 0 HG13 VAL A 632 0.125 -30.337 8.436 1.00 61.22 H new ATOM 0 HG21 VAL A 632 -0.128 -33.025 9.963 1.00 3.35 H new ATOM 0 HG22 VAL A 632 0.582 -31.566 10.694 1.00 3.35 H new ATOM 0 HG23 VAL A 632 -0.782 -32.385 11.490 1.00 3.35 H new ATOM 1423 N LEU A 633 -2.782 -27.931 9.870 1.00 72.53 N ATOM 1424 CA LEU A 633 -3.885 -27.123 9.377 1.00 64.42 C ATOM 1425 C LEU A 633 -3.589 -26.687 7.941 1.00 42.54 C ATOM 1426 O LEU A 633 -2.483 -26.888 7.442 1.00 24.20 O ATOM 1427 CB LEU A 633 -4.163 -25.959 10.329 1.00 3.50 C ATOM 1428 CG LEU A 633 -3.984 -26.254 11.820 1.00 51.53 C ATOM 1429 CD1 LEU A 633 -4.213 -27.737 12.116 1.00 2.13 C ATOM 1430 CD2 LEU A 633 -2.618 -25.774 12.314 1.00 63.23 C ATOM 0 H LEU A 633 -1.945 -27.404 10.119 1.00 72.53 H new ATOM 0 HA LEU A 633 -4.804 -27.708 9.350 1.00 64.42 H new ATOM 0 HB2 LEU A 633 -3.506 -25.132 10.061 1.00 3.50 H new ATOM 0 HB3 LEU A 633 -5.186 -25.619 10.166 1.00 3.50 H new ATOM 0 HG LEU A 633 -4.740 -25.695 12.372 1.00 51.53 H new ATOM 0 HD11 LEU A 633 -4.080 -27.920 13.182 1.00 2.13 H new ATOM 0 HD12 LEU A 633 -5.226 -28.014 11.824 1.00 2.13 H new ATOM 0 HD13 LEU A 633 -3.497 -28.335 11.553 1.00 2.13 H new ATOM 0 HD21 LEU A 633 -2.517 -25.996 13.376 1.00 63.23 H new ATOM 0 HD22 LEU A 633 -1.831 -26.285 11.760 1.00 63.23 H new ATOM 0 HD23 LEU A 633 -2.532 -24.699 12.158 1.00 63.23 H new ATOM 1442 N LYS A 634 -4.597 -26.096 7.316 1.00 32.20 N ATOM 1443 CA LYS A 634 -4.459 -25.629 5.947 1.00 31.20 C ATOM 1444 C LYS A 634 -4.151 -24.131 5.953 1.00 43.43 C ATOM 1445 O LYS A 634 -3.918 -23.545 7.009 1.00 24.10 O ATOM 1446 CB LYS A 634 -5.697 -25.999 5.127 1.00 23.32 C ATOM 1447 CG LYS A 634 -6.121 -27.445 5.397 1.00 43.45 C ATOM 1448 CD LYS A 634 -7.629 -27.538 5.633 1.00 74.55 C ATOM 1449 CE LYS A 634 -8.394 -26.648 4.651 1.00 33.21 C ATOM 1450 NZ LYS A 634 -9.698 -27.258 4.306 1.00 61.21 N ATOM 0 H LYS A 634 -5.513 -25.930 7.733 1.00 32.20 H new ATOM 0 HA LYS A 634 -3.621 -26.126 5.458 1.00 31.20 H new ATOM 0 HB2 LYS A 634 -6.516 -25.324 5.374 1.00 23.32 H new ATOM 0 HB3 LYS A 634 -5.486 -25.870 4.065 1.00 23.32 H new ATOM 0 HG2 LYS A 634 -5.842 -28.074 4.551 1.00 43.45 H new ATOM 0 HG3 LYS A 634 -5.589 -27.827 6.268 1.00 43.45 H new ATOM 0 HD2 LYS A 634 -7.955 -28.572 5.522 1.00 74.55 H new ATOM 0 HD3 LYS A 634 -7.860 -27.239 6.656 1.00 74.55 H new ATOM 0 HE2 LYS A 634 -8.552 -25.663 5.091 1.00 33.21 H new ATOM 0 HE3 LYS A 634 -7.803 -26.503 3.747 1.00 33.21 H new ATOM 0 HZ1 LYS A 634 -10.204 -26.641 3.639 1.00 61.21 H new ATOM 0 HZ2 LYS A 634 -9.541 -28.188 3.867 1.00 61.21 H new ATOM 0 HZ3 LYS A 634 -10.266 -27.374 5.169 1.00 61.21 H new ATOM 1463 N VAL A 635 -4.160 -23.553 4.761 1.00 45.45 N ATOM 1464 CA VAL A 635 -3.884 -22.133 4.615 1.00 63.42 C ATOM 1465 C VAL A 635 -5.175 -21.403 4.239 1.00 63.41 C ATOM 1466 O VAL A 635 -5.299 -20.200 4.462 1.00 71.20 O ATOM 1467 CB VAL A 635 -2.759 -21.920 3.599 1.00 31.54 C ATOM 1468 CG1 VAL A 635 -3.280 -22.061 2.168 1.00 45.25 C ATOM 1469 CG2 VAL A 635 -2.083 -20.564 3.807 1.00 41.22 C ATOM 0 H VAL A 635 -4.354 -24.042 3.887 1.00 45.45 H new ATOM 0 HA VAL A 635 -3.536 -21.713 5.558 1.00 63.42 H new ATOM 0 HB VAL A 635 -2.010 -22.695 3.760 1.00 31.54 H new ATOM 0 HG11 VAL A 635 -2.461 -21.905 1.466 1.00 45.25 H new ATOM 0 HG12 VAL A 635 -3.693 -23.060 2.028 1.00 45.25 H new ATOM 0 HG13 VAL A 635 -4.058 -21.319 1.989 1.00 45.25 H new ATOM 0 HG21 VAL A 635 -1.288 -20.438 3.073 1.00 41.22 H new ATOM 0 HG22 VAL A 635 -2.818 -19.769 3.686 1.00 41.22 H new ATOM 0 HG23 VAL A 635 -1.661 -20.518 4.811 1.00 41.22 H new ATOM 1479 N ARG A 636 -6.103 -22.162 3.675 1.00 40.02 N ATOM 1480 CA ARG A 636 -7.380 -21.602 3.266 1.00 70.22 C ATOM 1481 C ARG A 636 -8.344 -21.557 4.453 1.00 53.12 C ATOM 1482 O ARG A 636 -9.391 -20.915 4.383 1.00 40.44 O ATOM 1483 CB ARG A 636 -8.007 -22.426 2.139 1.00 30.13 C ATOM 1484 CG ARG A 636 -7.967 -23.920 2.465 1.00 30.54 C ATOM 1485 CD ARG A 636 -6.941 -24.645 1.592 1.00 4.12 C ATOM 1486 NE ARG A 636 -7.465 -25.968 1.186 1.00 55.43 N ATOM 1487 CZ ARG A 636 -6.705 -26.959 0.675 1.00 30.43 C ATOM 1488 NH1 ARG A 636 -5.377 -26.786 0.504 1.00 12.04 N ATOM 1489 NH2 ARG A 636 -7.279 -28.101 0.346 1.00 73.42 N ATOM 0 H ARG A 636 -5.996 -23.160 3.492 1.00 40.02 H new ATOM 0 HA ARG A 636 -7.198 -20.590 2.903 1.00 70.22 H new ATOM 0 HB2 ARG A 636 -9.039 -22.111 1.984 1.00 30.13 H new ATOM 0 HB3 ARG A 636 -7.474 -22.239 1.207 1.00 30.13 H new ATOM 0 HG2 ARG A 636 -7.718 -24.060 3.517 1.00 30.54 H new ATOM 0 HG3 ARG A 636 -8.954 -24.356 2.310 1.00 30.54 H new ATOM 0 HD2 ARG A 636 -6.716 -24.047 0.709 1.00 4.12 H new ATOM 0 HD3 ARG A 636 -6.007 -24.768 2.140 1.00 4.12 H new ATOM 0 HE ARG A 636 -8.464 -26.142 1.300 1.00 55.43 H new ATOM 0 HH11 ARG A 636 -4.941 -25.901 0.762 1.00 12.04 H new ATOM 0 HH12 ARG A 636 -4.810 -27.540 0.117 1.00 12.04 H new ATOM 0 HH21 ARG A 636 -8.283 -28.224 0.479 1.00 73.42 H new ATOM 0 HH22 ARG A 636 -6.719 -28.860 -0.042 1.00 73.42 H new ATOM 1502 N SER A 637 -7.957 -22.247 5.515 1.00 11.15 N ATOM 1503 CA SER A 637 -8.774 -22.293 6.716 1.00 33.51 C ATOM 1504 C SER A 637 -8.198 -21.355 7.778 1.00 24.32 C ATOM 1505 O SER A 637 -8.872 -21.025 8.752 1.00 32.44 O ATOM 1506 CB SER A 637 -8.869 -23.719 7.263 1.00 74.35 C ATOM 1507 OG SER A 637 -9.797 -24.512 6.527 1.00 71.33 O ATOM 0 H SER A 637 -7.088 -22.779 5.569 1.00 11.15 H new ATOM 0 HA SER A 637 -9.780 -21.964 6.457 1.00 33.51 H new ATOM 0 HB2 SER A 637 -7.885 -24.187 7.229 1.00 74.35 H new ATOM 0 HB3 SER A 637 -9.170 -23.686 8.310 1.00 74.35 H new ATOM 0 HG SER A 637 -9.828 -25.415 6.906 1.00 71.33 H new ATOM 1513 N MET A 638 -6.956 -20.952 7.554 1.00 24.12 N ATOM 1514 CA MET A 638 -6.280 -20.058 8.480 1.00 74.42 C ATOM 1515 C MET A 638 -6.098 -18.669 7.866 1.00 42.11 C ATOM 1516 O MET A 638 -5.593 -18.540 6.751 1.00 35.14 O ATOM 1517 CB MET A 638 -4.913 -20.639 8.845 1.00 62.34 C ATOM 1518 CG MET A 638 -5.063 -21.908 9.687 1.00 41.13 C ATOM 1519 SD MET A 638 -5.675 -21.493 11.312 1.00 65.45 S ATOM 1520 CE MET A 638 -7.293 -22.242 11.234 1.00 70.12 C ATOM 0 H MET A 638 -6.400 -21.228 6.745 1.00 24.12 H new ATOM 0 HA MET A 638 -6.893 -19.961 9.376 1.00 74.42 H new ATOM 0 HB2 MET A 638 -4.356 -20.865 7.936 1.00 62.34 H new ATOM 0 HB3 MET A 638 -4.335 -19.898 9.397 1.00 62.34 H new ATOM 0 HG2 MET A 638 -5.748 -22.601 9.197 1.00 41.13 H new ATOM 0 HG3 MET A 638 -4.102 -22.415 9.770 1.00 41.13 H new ATOM 0 HE1 MET A 638 -7.837 -22.031 12.155 1.00 70.12 H new ATOM 0 HE2 MET A 638 -7.843 -21.833 10.386 1.00 70.12 H new ATOM 0 HE3 MET A 638 -7.189 -23.320 11.113 1.00 70.12 H new ATOM 1530 N LEU A 639 -6.518 -17.664 8.620 1.00 10.11 N ATOM 1531 CA LEU A 639 -6.407 -16.289 8.164 1.00 12.31 C ATOM 1532 C LEU A 639 -5.127 -15.670 8.730 1.00 53.03 C ATOM 1533 O LEU A 639 -4.670 -16.055 9.804 1.00 24.44 O ATOM 1534 CB LEU A 639 -7.675 -15.505 8.512 1.00 64.35 C ATOM 1535 CG LEU A 639 -8.081 -14.414 7.520 1.00 54.44 C ATOM 1536 CD1 LEU A 639 -9.604 -14.284 7.441 1.00 2.11 C ATOM 1537 CD2 LEU A 639 -7.410 -13.083 7.863 1.00 3.42 C ATOM 0 H LEU A 639 -6.936 -17.775 9.544 1.00 10.11 H new ATOM 0 HA LEU A 639 -6.326 -16.253 7.078 1.00 12.31 H new ATOM 0 HB2 LEU A 639 -8.501 -16.210 8.604 1.00 64.35 H new ATOM 0 HB3 LEU A 639 -7.537 -15.046 9.491 1.00 64.35 H new ATOM 0 HG LEU A 639 -7.730 -14.706 6.530 1.00 54.44 H new ATOM 0 HD11 LEU A 639 -9.866 -13.502 6.729 1.00 2.11 H new ATOM 0 HD12 LEU A 639 -10.034 -15.231 7.114 1.00 2.11 H new ATOM 0 HD13 LEU A 639 -9.999 -14.027 8.424 1.00 2.11 H new ATOM 0 HD21 LEU A 639 -7.716 -12.325 7.142 1.00 3.42 H new ATOM 0 HD22 LEU A 639 -7.708 -12.773 8.864 1.00 3.42 H new ATOM 0 HD23 LEU A 639 -6.327 -13.202 7.827 1.00 3.42 H new ATOM 1549 N LEU A 640 -4.586 -14.721 7.981 1.00 43.24 N ATOM 1550 CA LEU A 640 -3.368 -14.045 8.394 1.00 64.02 C ATOM 1551 C LEU A 640 -3.681 -12.578 8.696 1.00 22.21 C ATOM 1552 O LEU A 640 -3.690 -11.743 7.793 1.00 12.03 O ATOM 1553 CB LEU A 640 -2.268 -14.236 7.348 1.00 64.13 C ATOM 1554 CG LEU A 640 -1.806 -15.676 7.115 1.00 30.21 C ATOM 1555 CD1 LEU A 640 -1.954 -16.512 8.388 1.00 3.42 C ATOM 1556 CD2 LEU A 640 -2.542 -16.303 5.929 1.00 33.15 C ATOM 0 H LEU A 640 -4.969 -14.404 7.090 1.00 43.24 H new ATOM 0 HA LEU A 640 -2.982 -14.485 9.313 1.00 64.02 H new ATOM 0 HB2 LEU A 640 -2.622 -13.831 6.400 1.00 64.13 H new ATOM 0 HB3 LEU A 640 -1.404 -13.642 7.646 1.00 64.13 H new ATOM 0 HG LEU A 640 -0.746 -15.658 6.863 1.00 30.21 H new ATOM 0 HD11 LEU A 640 -1.619 -17.531 8.195 1.00 3.42 H new ATOM 0 HD12 LEU A 640 -1.349 -16.075 9.183 1.00 3.42 H new ATOM 0 HD13 LEU A 640 -3.000 -16.526 8.695 1.00 3.42 H new ATOM 0 HD21 LEU A 640 -2.195 -17.326 5.785 1.00 33.15 H new ATOM 0 HD22 LEU A 640 -3.614 -16.308 6.127 1.00 33.15 H new ATOM 0 HD23 LEU A 640 -2.342 -15.722 5.029 1.00 33.15 H new ATOM 1568 N GLU A 641 -3.929 -12.310 9.969 1.00 14.35 N ATOM 1569 CA GLU A 641 -4.242 -10.958 10.402 1.00 32.31 C ATOM 1570 C GLU A 641 -2.980 -10.093 10.393 1.00 15.25 C ATOM 1571 O GLU A 641 -2.002 -10.409 11.068 1.00 21.13 O ATOM 1572 CB GLU A 641 -4.894 -10.963 11.786 1.00 14.30 C ATOM 1573 CG GLU A 641 -6.400 -10.708 11.684 1.00 44.34 C ATOM 1574 CD GLU A 641 -7.054 -10.724 13.067 1.00 43.43 C ATOM 1575 OE1 GLU A 641 -8.286 -10.821 13.169 1.00 43.22 O ATOM 1576 OE2 GLU A 641 -6.234 -10.632 14.059 1.00 50.24 O ATOM 0 H GLU A 641 -3.920 -13.006 10.715 1.00 14.35 H new ATOM 0 HA GLU A 641 -4.958 -10.529 9.701 1.00 32.31 H new ATOM 0 HB2 GLU A 641 -4.716 -11.922 12.272 1.00 14.30 H new ATOM 0 HB3 GLU A 641 -4.434 -10.198 12.412 1.00 14.30 H new ATOM 0 HG2 GLU A 641 -6.578 -9.745 11.205 1.00 44.34 H new ATOM 0 HG3 GLU A 641 -6.859 -11.468 11.052 1.00 44.34 H new ATOM 1584 N THR A 642 -3.044 -9.018 9.622 1.00 52.32 N ATOM 1585 CA THR A 642 -1.919 -8.104 9.516 1.00 20.45 C ATOM 1586 C THR A 642 -2.386 -6.659 9.703 1.00 23.45 C ATOM 1587 O THR A 642 -3.569 -6.360 9.548 1.00 24.45 O ATOM 1588 CB THR A 642 -1.233 -8.352 8.171 1.00 33.24 C ATOM 1589 OG1 THR A 642 -1.732 -7.315 7.331 1.00 31.11 O ATOM 1590 CG2 THR A 642 -1.712 -9.640 7.498 1.00 14.03 C ATOM 0 H THR A 642 -3.858 -8.759 9.064 1.00 52.32 H new ATOM 0 HA THR A 642 -1.190 -8.281 10.306 1.00 20.45 H new ATOM 0 HB THR A 642 -0.154 -8.399 8.317 1.00 33.24 H new ATOM 0 HG1 THR A 642 -2.571 -7.605 6.916 1.00 31.11 H new ATOM 0 HG21 THR A 642 -1.194 -9.768 6.548 1.00 14.03 H new ATOM 0 HG22 THR A 642 -1.498 -10.490 8.146 1.00 14.03 H new ATOM 0 HG23 THR A 642 -2.786 -9.580 7.321 1.00 14.03 H new ATOM 1598 N PRO A 643 -1.407 -5.779 10.043 1.00 44.42 N ATOM 1599 CA PRO A 643 -1.705 -4.372 10.253 1.00 70.24 C ATOM 1600 C PRO A 643 -1.936 -3.656 8.920 1.00 3.15 C ATOM 1601 O PRO A 643 -2.168 -2.448 8.893 1.00 71.30 O ATOM 1602 CB PRO A 643 -0.512 -3.827 11.021 1.00 33.44 C ATOM 1603 CG PRO A 643 0.613 -4.828 10.809 1.00 15.51 C ATOM 1604 CD PRO A 643 0.005 -6.097 10.235 1.00 22.10 C ATOM 0 HA PRO A 643 -2.627 -4.216 10.813 1.00 70.24 H new ATOM 0 HB2 PRO A 643 -0.230 -2.840 10.655 1.00 33.44 H new ATOM 0 HB3 PRO A 643 -0.745 -3.720 12.080 1.00 33.44 H new ATOM 0 HG2 PRO A 643 1.362 -4.422 10.129 1.00 15.51 H new ATOM 0 HG3 PRO A 643 1.119 -5.039 11.751 1.00 15.51 H new ATOM 0 HD2 PRO A 643 0.480 -6.373 9.294 1.00 22.10 H new ATOM 0 HD3 PRO A 643 0.132 -6.939 10.915 1.00 22.10 H new ATOM 1612 N GLN A 644 -1.863 -4.431 7.848 1.00 14.22 N ATOM 1613 CA GLN A 644 -2.062 -3.885 6.516 1.00 24.50 C ATOM 1614 C GLN A 644 -3.396 -4.364 5.940 1.00 64.14 C ATOM 1615 O GLN A 644 -3.791 -3.947 4.852 1.00 33.12 O ATOM 1616 CB GLN A 644 -0.900 -4.258 5.593 1.00 71.23 C ATOM 1617 CG GLN A 644 0.411 -4.360 6.375 1.00 42.45 C ATOM 1618 CD GLN A 644 1.617 -4.286 5.435 1.00 33.21 C ATOM 1619 OE1 GLN A 644 2.610 -3.633 5.708 1.00 2.12 O ATOM 1620 NE2 GLN A 644 1.474 -4.991 4.316 1.00 24.34 N ATOM 0 H GLN A 644 -1.669 -5.432 7.874 1.00 14.22 H new ATOM 0 HA GLN A 644 -2.090 -2.798 6.590 1.00 24.50 H new ATOM 0 HB2 GLN A 644 -1.111 -5.209 5.104 1.00 71.23 H new ATOM 0 HB3 GLN A 644 -0.801 -3.510 4.807 1.00 71.23 H new ATOM 0 HG2 GLN A 644 0.466 -3.554 7.107 1.00 42.45 H new ATOM 0 HG3 GLN A 644 0.435 -5.297 6.931 1.00 42.45 H new ATOM 0 HE21 GLN A 644 0.615 -5.516 4.150 1.00 24.34 H new ATOM 0 HE22 GLN A 644 2.223 -5.007 3.624 1.00 24.34 H new ATOM 1629 N GLY A 645 -4.052 -5.233 6.694 1.00 12.02 N ATOM 1630 CA GLY A 645 -5.333 -5.773 6.272 1.00 54.21 C ATOM 1631 C GLY A 645 -5.302 -7.302 6.244 1.00 22.23 C ATOM 1632 O GLY A 645 -4.272 -7.900 5.937 1.00 43.01 O ATOM 0 H GLY A 645 -3.720 -5.577 7.595 1.00 12.02 H new ATOM 0 HA2 GLY A 645 -6.116 -5.434 6.951 1.00 54.21 H new ATOM 0 HA3 GLY A 645 -5.583 -5.393 5.282 1.00 54.21 H new ATOM 1636 N ARG A 646 -6.443 -7.892 6.570 1.00 42.21 N ATOM 1637 CA ARG A 646 -6.559 -9.340 6.586 1.00 22.14 C ATOM 1638 C ARG A 646 -6.163 -9.920 5.227 1.00 51.21 C ATOM 1639 O ARG A 646 -6.399 -9.300 4.191 1.00 11.42 O ATOM 1640 CB ARG A 646 -7.987 -9.774 6.922 1.00 22.53 C ATOM 1641 CG ARG A 646 -8.149 -10.009 8.425 1.00 33.44 C ATOM 1642 CD ARG A 646 -9.556 -10.513 8.753 1.00 75.13 C ATOM 1643 NE ARG A 646 -10.550 -9.450 8.482 1.00 31.05 N ATOM 1644 CZ ARG A 646 -10.758 -8.386 9.287 1.00 32.21 C ATOM 1645 NH1 ARG A 646 -10.042 -8.235 10.422 1.00 51.25 N ATOM 1646 NH2 ARG A 646 -11.672 -7.496 8.948 1.00 34.52 N ATOM 0 H ARG A 646 -7.295 -7.393 6.825 1.00 42.21 H new ATOM 0 HA ARG A 646 -5.886 -9.718 7.355 1.00 22.14 H new ATOM 0 HB2 ARG A 646 -8.690 -9.010 6.592 1.00 22.53 H new ATOM 0 HB3 ARG A 646 -8.231 -10.687 6.379 1.00 22.53 H new ATOM 0 HG2 ARG A 646 -7.410 -10.735 8.765 1.00 33.44 H new ATOM 0 HG3 ARG A 646 -7.956 -9.082 8.965 1.00 33.44 H new ATOM 0 HD2 ARG A 646 -9.783 -11.396 8.156 1.00 75.13 H new ATOM 0 HD3 ARG A 646 -9.609 -10.814 9.799 1.00 75.13 H new ATOM 0 HE ARG A 646 -11.113 -9.526 7.635 1.00 31.05 H new ATOM 0 HH11 ARG A 646 -9.338 -8.928 10.677 1.00 51.25 H new ATOM 0 HH12 ARG A 646 -10.205 -7.428 11.025 1.00 51.25 H new ATOM 0 HH21 ARG A 646 -12.209 -7.618 8.089 1.00 34.52 H new ATOM 0 HH22 ARG A 646 -11.842 -6.686 9.545 1.00 34.52 H new ATOM 1659 N ILE A 647 -5.568 -11.103 5.274 1.00 11.32 N ATOM 1660 CA ILE A 647 -5.137 -11.773 4.059 1.00 15.00 C ATOM 1661 C ILE A 647 -5.516 -13.253 4.137 1.00 24.50 C ATOM 1662 O ILE A 647 -5.094 -13.958 5.053 1.00 15.12 O ATOM 1663 CB ILE A 647 -3.647 -11.531 3.813 1.00 21.02 C ATOM 1664 CG1 ILE A 647 -3.348 -10.036 3.681 1.00 35.14 C ATOM 1665 CG2 ILE A 647 -3.156 -12.323 2.599 1.00 1.34 C ATOM 1666 CD1 ILE A 647 -1.868 -9.748 3.940 1.00 14.44 C ATOM 0 H ILE A 647 -5.374 -11.615 6.135 1.00 11.32 H new ATOM 0 HA ILE A 647 -5.650 -11.357 3.192 1.00 15.00 H new ATOM 0 HB ILE A 647 -3.095 -11.894 4.680 1.00 21.02 H new ATOM 0 HG12 ILE A 647 -3.619 -9.694 2.682 1.00 35.14 H new ATOM 0 HG13 ILE A 647 -3.960 -9.475 4.387 1.00 35.14 H new ATOM 0 HG21 ILE A 647 -2.094 -12.133 2.446 1.00 1.34 H new ATOM 0 HG22 ILE A 647 -3.313 -13.388 2.771 1.00 1.34 H new ATOM 0 HG23 ILE A 647 -3.711 -12.013 1.714 1.00 1.34 H new ATOM 0 HD11 ILE A 647 -1.682 -8.679 3.840 1.00 14.44 H new ATOM 0 HD12 ILE A 647 -1.606 -10.069 4.948 1.00 14.44 H new ATOM 0 HD13 ILE A 647 -1.260 -10.291 3.217 1.00 14.44 H new ATOM 1678 N GLN A 648 -6.306 -13.682 3.164 1.00 42.44 N ATOM 1679 CA GLN A 648 -6.745 -15.066 3.110 1.00 14.55 C ATOM 1680 C GLN A 648 -6.295 -15.715 1.801 1.00 74.55 C ATOM 1681 O GLN A 648 -6.808 -15.387 0.732 1.00 14.50 O ATOM 1682 CB GLN A 648 -8.263 -15.166 3.279 1.00 4.24 C ATOM 1683 CG GLN A 648 -8.648 -16.444 4.027 1.00 61.24 C ATOM 1684 CD GLN A 648 -9.127 -17.524 3.054 1.00 22.24 C ATOM 1685 OE1 GLN A 648 -10.104 -17.365 2.342 1.00 72.14 O ATOM 1686 NE2 GLN A 648 -8.386 -18.629 3.065 1.00 0.31 N ATOM 0 H GLN A 648 -6.654 -13.095 2.406 1.00 42.44 H new ATOM 0 HA GLN A 648 -6.284 -15.606 3.937 1.00 14.55 H new ATOM 0 HB2 GLN A 648 -8.630 -14.297 3.824 1.00 4.24 H new ATOM 0 HB3 GLN A 648 -8.743 -15.154 2.300 1.00 4.24 H new ATOM 0 HG2 GLN A 648 -7.791 -16.812 4.591 1.00 61.24 H new ATOM 0 HG3 GLN A 648 -9.435 -16.225 4.749 1.00 61.24 H new ATOM 0 HE21 GLN A 648 -7.580 -18.696 3.687 1.00 0.31 H new ATOM 0 HE22 GLN A 648 -8.624 -19.409 2.452 1.00 0.31 H new ATOM 1695 N ALA A 649 -5.342 -16.626 1.926 1.00 23.51 N ATOM 1696 CA ALA A 649 -4.817 -17.325 0.765 1.00 21.53 C ATOM 1697 C ALA A 649 -5.324 -18.769 0.772 1.00 12.12 C ATOM 1698 O ALA A 649 -6.000 -19.189 1.710 1.00 14.51 O ATOM 1699 CB ALA A 649 -3.289 -17.244 0.768 1.00 71.41 C ATOM 0 H ALA A 649 -4.919 -16.897 2.814 1.00 23.51 H new ATOM 0 HA ALA A 649 -5.167 -16.857 -0.155 1.00 21.53 H new ATOM 0 HB1 ALA A 649 -2.895 -17.768 -0.103 1.00 71.41 H new ATOM 0 HB2 ALA A 649 -2.980 -16.199 0.733 1.00 71.41 H new ATOM 0 HB3 ALA A 649 -2.902 -17.707 1.676 1.00 71.41 H new ATOM 1705 N LYS A 650 -4.978 -19.489 -0.285 1.00 32.02 N ATOM 1706 CA LYS A 650 -5.390 -20.877 -0.412 1.00 51.43 C ATOM 1707 C LYS A 650 -4.153 -21.755 -0.608 1.00 20.44 C ATOM 1708 O LYS A 650 -4.269 -22.970 -0.767 1.00 45.42 O ATOM 1709 CB LYS A 650 -6.432 -21.026 -1.522 1.00 73.34 C ATOM 1710 CG LYS A 650 -7.609 -20.074 -1.302 1.00 12.33 C ATOM 1711 CD LYS A 650 -8.889 -20.628 -1.931 1.00 62.11 C ATOM 1712 CE LYS A 650 -10.017 -19.596 -1.880 1.00 1.15 C ATOM 1713 NZ LYS A 650 -10.680 -19.619 -0.557 1.00 0.55 N ATOM 0 H LYS A 650 -4.417 -19.138 -1.061 1.00 32.02 H new ATOM 0 HA LYS A 650 -5.880 -21.215 0.501 1.00 51.43 H new ATOM 0 HB2 LYS A 650 -5.971 -20.822 -2.488 1.00 73.34 H new ATOM 0 HB3 LYS A 650 -6.792 -22.054 -1.552 1.00 73.34 H new ATOM 0 HG2 LYS A 650 -7.762 -19.920 -0.234 1.00 12.33 H new ATOM 0 HG3 LYS A 650 -7.379 -19.100 -1.735 1.00 12.33 H new ATOM 0 HD2 LYS A 650 -8.697 -20.911 -2.966 1.00 62.11 H new ATOM 0 HD3 LYS A 650 -9.195 -21.532 -1.405 1.00 62.11 H new ATOM 0 HE2 LYS A 650 -9.617 -18.601 -2.076 1.00 1.15 H new ATOM 0 HE3 LYS A 650 -10.746 -19.806 -2.663 1.00 1.15 H new ATOM 0 HZ1 LYS A 650 -11.443 -18.913 -0.539 1.00 0.55 H new ATOM 0 HZ2 LYS A 650 -11.079 -20.564 -0.385 1.00 0.55 H new ATOM 0 HZ3 LYS A 650 -9.985 -19.396 0.184 1.00 0.55 H new ATOM 1726 N LYS A 651 -2.997 -21.108 -0.589 1.00 14.34 N ATOM 1727 CA LYS A 651 -1.740 -21.815 -0.762 1.00 20.03 C ATOM 1728 C LYS A 651 -0.663 -21.149 0.097 1.00 30.54 C ATOM 1729 O LYS A 651 -0.578 -19.924 0.153 1.00 42.32 O ATOM 1730 CB LYS A 651 -1.375 -21.904 -2.245 1.00 33.41 C ATOM 1731 CG LYS A 651 -2.454 -22.652 -3.031 1.00 33.33 C ATOM 1732 CD LYS A 651 -3.568 -21.702 -3.473 1.00 54.42 C ATOM 1733 CE LYS A 651 -3.320 -21.189 -4.893 1.00 42.30 C ATOM 1734 NZ LYS A 651 -4.027 -19.907 -5.113 1.00 34.45 N ATOM 0 H LYS A 651 -2.905 -20.101 -0.456 1.00 14.34 H new ATOM 0 HA LYS A 651 -1.832 -22.845 -0.418 1.00 20.03 H new ATOM 0 HB2 LYS A 651 -1.252 -20.901 -2.654 1.00 33.41 H new ATOM 0 HB3 LYS A 651 -0.418 -22.414 -2.358 1.00 33.41 H new ATOM 0 HG2 LYS A 651 -2.009 -23.127 -3.905 1.00 33.33 H new ATOM 0 HG3 LYS A 651 -2.873 -23.447 -2.414 1.00 33.33 H new ATOM 0 HD2 LYS A 651 -4.528 -22.217 -3.431 1.00 54.42 H new ATOM 0 HD3 LYS A 651 -3.628 -20.860 -2.784 1.00 54.42 H new ATOM 0 HE2 LYS A 651 -2.251 -21.054 -5.055 1.00 42.30 H new ATOM 0 HE3 LYS A 651 -3.661 -21.928 -5.618 1.00 42.30 H new ATOM 0 HZ1 LYS A 651 -3.848 -19.573 -6.082 1.00 34.45 H new ATOM 0 HZ2 LYS A 651 -5.049 -20.047 -4.978 1.00 34.45 H new ATOM 0 HZ3 LYS A 651 -3.682 -19.199 -4.434 1.00 34.45 H new ATOM 1747 N TRP A 652 0.132 -21.987 0.746 1.00 24.13 N ATOM 1748 CA TRP A 652 1.200 -21.495 1.600 1.00 24.31 C ATOM 1749 C TRP A 652 2.240 -20.811 0.710 1.00 21.31 C ATOM 1750 O TRP A 652 3.126 -20.117 1.206 1.00 64.03 O ATOM 1751 CB TRP A 652 1.789 -22.625 2.447 1.00 1.03 C ATOM 1752 CG TRP A 652 0.759 -23.358 3.310 1.00 44.33 C ATOM 1753 CD1 TRP A 652 -0.071 -24.343 2.944 1.00 74.41 C ATOM 1754 CD2 TRP A 652 0.483 -23.121 4.706 1.00 22.14 C ATOM 1755 NE1 TRP A 652 -0.860 -24.758 3.998 1.00 3.22 N ATOM 1756 CE2 TRP A 652 -0.512 -23.991 5.104 1.00 5.10 C ATOM 1757 CE3 TRP A 652 1.055 -22.203 5.604 1.00 3.41 C ATOM 1758 CZ2 TRP A 652 -1.021 -24.028 6.407 1.00 34.23 C ATOM 1759 CZ3 TRP A 652 0.535 -22.252 6.903 1.00 73.42 C ATOM 1760 CH2 TRP A 652 -0.467 -23.122 7.319 1.00 43.01 C ATOM 0 H TRP A 652 0.058 -23.003 0.698 1.00 24.13 H new ATOM 0 HA TRP A 652 0.818 -20.765 2.313 1.00 24.31 H new ATOM 0 HB2 TRP A 652 2.273 -23.345 1.787 1.00 1.03 H new ATOM 0 HB3 TRP A 652 2.564 -22.214 3.094 1.00 1.03 H new ATOM 0 HD1 TRP A 652 -0.117 -24.760 1.949 1.00 74.41 H new ATOM 0 HE1 TRP A 652 -1.568 -25.492 3.970 1.00 3.22 H new ATOM 0 HE3 TRP A 652 1.835 -21.514 5.314 1.00 3.41 H new ATOM 0 HZ2 TRP A 652 -1.800 -24.719 6.694 1.00 34.23 H new ATOM 0 HZ3 TRP A 652 0.940 -21.567 7.633 1.00 73.42 H new ATOM 0 HH2 TRP A 652 -0.816 -23.099 8.341 1.00 43.01 H new ATOM 1771 N SER A 653 2.097 -21.031 -0.589 1.00 22.34 N ATOM 1772 CA SER A 653 3.013 -20.445 -1.552 1.00 50.23 C ATOM 1773 C SER A 653 2.760 -18.940 -1.666 1.00 21.13 C ATOM 1774 O SER A 653 3.625 -18.194 -2.123 1.00 31.40 O ATOM 1775 CB SER A 653 2.872 -21.111 -2.922 1.00 63.51 C ATOM 1776 OG SER A 653 3.749 -20.537 -3.888 1.00 14.01 O ATOM 0 H SER A 653 1.360 -21.607 -0.997 1.00 22.34 H new ATOM 0 HA SER A 653 4.031 -20.611 -1.200 1.00 50.23 H new ATOM 0 HB2 SER A 653 3.082 -22.177 -2.830 1.00 63.51 H new ATOM 0 HB3 SER A 653 1.842 -21.017 -3.266 1.00 63.51 H new ATOM 0 HG SER A 653 3.630 -20.991 -4.749 1.00 14.01 H new ATOM 1782 N ARG A 654 1.571 -18.539 -1.242 1.00 12.34 N ATOM 1783 CA ARG A 654 1.193 -17.136 -1.290 1.00 22.42 C ATOM 1784 C ARG A 654 1.286 -16.513 0.104 1.00 25.34 C ATOM 1785 O ARG A 654 1.304 -15.291 0.242 1.00 31.11 O ATOM 1786 CB ARG A 654 -0.231 -16.968 -1.822 1.00 53.30 C ATOM 1787 CG ARG A 654 -0.589 -18.092 -2.796 1.00 53.35 C ATOM 1788 CD ARG A 654 0.292 -18.035 -4.046 1.00 30.51 C ATOM 1789 NE ARG A 654 -0.343 -18.792 -5.148 1.00 15.11 N ATOM 1790 CZ ARG A 654 0.331 -19.316 -6.193 1.00 72.14 C ATOM 1791 NH1 ARG A 654 1.670 -19.170 -6.288 1.00 35.00 N ATOM 1792 NH2 ARG A 654 -0.339 -19.974 -7.122 1.00 4.41 N ATOM 0 H ARG A 654 0.856 -19.161 -0.864 1.00 12.34 H new ATOM 0 HA ARG A 654 1.883 -16.629 -1.965 1.00 22.42 H new ATOM 0 HB2 ARG A 654 -0.936 -16.965 -0.990 1.00 53.30 H new ATOM 0 HB3 ARG A 654 -0.324 -16.004 -2.323 1.00 53.30 H new ATOM 0 HG2 ARG A 654 -0.467 -19.057 -2.304 1.00 53.35 H new ATOM 0 HG3 ARG A 654 -1.638 -18.010 -3.082 1.00 53.35 H new ATOM 0 HD2 ARG A 654 0.444 -16.998 -4.347 1.00 30.51 H new ATOM 0 HD3 ARG A 654 1.275 -18.451 -3.827 1.00 30.51 H new ATOM 0 HE ARG A 654 -1.354 -18.926 -5.115 1.00 15.11 H new ATOM 0 HH11 ARG A 654 2.180 -18.660 -5.566 1.00 35.00 H new ATOM 0 HH12 ARG A 654 2.172 -19.569 -7.081 1.00 35.00 H new ATOM 0 HH21 ARG A 654 -1.350 -20.080 -7.043 1.00 4.41 H new ATOM 0 HH22 ARG A 654 0.155 -20.376 -7.919 1.00 4.41 H new ATOM 1805 N VAL A 655 1.344 -17.382 1.103 1.00 0.12 N ATOM 1806 CA VAL A 655 1.435 -16.932 2.482 1.00 62.01 C ATOM 1807 C VAL A 655 2.383 -15.733 2.561 1.00 35.21 C ATOM 1808 O VAL A 655 3.476 -15.763 1.998 1.00 55.12 O ATOM 1809 CB VAL A 655 1.862 -18.092 3.384 1.00 41.03 C ATOM 1810 CG1 VAL A 655 2.662 -17.586 4.586 1.00 71.12 C ATOM 1811 CG2 VAL A 655 0.651 -18.910 3.836 1.00 55.42 C ATOM 0 H VAL A 655 1.330 -18.395 0.985 1.00 0.12 H new ATOM 0 HA VAL A 655 0.461 -16.601 2.841 1.00 62.01 H new ATOM 0 HB VAL A 655 2.510 -18.747 2.802 1.00 41.03 H new ATOM 0 HG11 VAL A 655 2.953 -18.430 5.211 1.00 71.12 H new ATOM 0 HG12 VAL A 655 3.555 -17.068 4.237 1.00 71.12 H new ATOM 0 HG13 VAL A 655 2.048 -16.899 5.168 1.00 71.12 H new ATOM 0 HG21 VAL A 655 0.983 -19.728 4.476 1.00 55.42 H new ATOM 0 HG22 VAL A 655 -0.034 -18.269 4.392 1.00 55.42 H new ATOM 0 HG23 VAL A 655 0.140 -19.316 2.963 1.00 55.42 H new ATOM 1821 N PRO A 656 1.917 -14.679 3.284 1.00 73.35 N ATOM 1822 CA PRO A 656 2.710 -13.473 3.444 1.00 41.33 C ATOM 1823 C PRO A 656 3.851 -13.695 4.438 1.00 2.35 C ATOM 1824 O PRO A 656 5.013 -13.445 4.121 1.00 22.35 O ATOM 1825 CB PRO A 656 1.723 -12.410 3.899 1.00 21.44 C ATOM 1826 CG PRO A 656 0.512 -13.164 4.424 1.00 72.43 C ATOM 1827 CD PRO A 656 0.627 -14.609 3.964 1.00 2.35 C ATOM 0 HA PRO A 656 3.204 -13.169 2.521 1.00 41.33 H new ATOM 0 HB2 PRO A 656 2.158 -11.780 4.675 1.00 21.44 H new ATOM 0 HB3 PRO A 656 1.447 -11.754 3.073 1.00 21.44 H new ATOM 0 HG2 PRO A 656 0.472 -13.112 5.512 1.00 72.43 H new ATOM 0 HG3 PRO A 656 -0.408 -12.716 4.049 1.00 72.43 H new ATOM 0 HD2 PRO A 656 0.586 -15.298 4.808 1.00 2.35 H new ATOM 0 HD3 PRO A 656 -0.189 -14.877 3.293 1.00 2.35 H new ATOM 1835 N PHE A 657 3.480 -14.161 5.622 1.00 72.45 N ATOM 1836 CA PHE A 657 4.458 -14.420 6.665 1.00 73.03 C ATOM 1837 C PHE A 657 5.386 -15.571 6.273 1.00 63.15 C ATOM 1838 O PHE A 657 5.162 -16.238 5.264 1.00 60.23 O ATOM 1839 CB PHE A 657 3.678 -14.815 7.921 1.00 42.44 C ATOM 1840 CG PHE A 657 2.955 -16.158 7.808 1.00 64.52 C ATOM 1841 CD1 PHE A 657 1.703 -16.215 7.281 1.00 14.33 C ATOM 1842 CD2 PHE A 657 3.566 -17.297 8.234 1.00 14.30 C ATOM 1843 CE1 PHE A 657 1.032 -17.462 7.177 1.00 52.23 C ATOM 1844 CE2 PHE A 657 2.895 -18.544 8.129 1.00 13.25 C ATOM 1845 CZ PHE A 657 1.642 -18.600 7.603 1.00 71.10 C ATOM 0 H PHE A 657 2.515 -14.366 5.882 1.00 72.45 H new ATOM 0 HA PHE A 657 5.071 -13.534 6.828 1.00 73.03 H new ATOM 0 HB2 PHE A 657 4.366 -14.854 8.766 1.00 42.44 H new ATOM 0 HB3 PHE A 657 2.946 -14.038 8.141 1.00 42.44 H new ATOM 0 HD1 PHE A 657 1.219 -15.311 6.941 1.00 14.33 H new ATOM 0 HD2 PHE A 657 4.561 -17.252 8.652 1.00 14.30 H new ATOM 0 HE1 PHE A 657 0.037 -17.507 6.759 1.00 52.23 H new ATOM 0 HE2 PHE A 657 3.380 -19.448 8.467 1.00 13.25 H new ATOM 0 HZ PHE A 657 1.132 -19.548 7.524 1.00 71.10 H new ATOM 1855 N SER A 658 6.409 -15.769 7.091 1.00 45.33 N ATOM 1856 CA SER A 658 7.373 -16.828 6.842 1.00 11.40 C ATOM 1857 C SER A 658 7.398 -17.800 8.023 1.00 71.32 C ATOM 1858 O SER A 658 7.143 -17.408 9.160 1.00 32.03 O ATOM 1859 CB SER A 658 8.770 -16.254 6.597 1.00 61.41 C ATOM 1860 OG SER A 658 8.720 -14.969 5.984 1.00 12.34 O ATOM 0 H SER A 658 6.592 -15.214 7.927 1.00 45.33 H new ATOM 0 HA SER A 658 7.068 -17.365 5.944 1.00 11.40 H new ATOM 0 HB2 SER A 658 9.304 -16.183 7.545 1.00 61.41 H new ATOM 0 HB3 SER A 658 9.336 -16.936 5.963 1.00 61.41 H new ATOM 0 HG SER A 658 9.632 -14.637 5.846 1.00 12.34 H new ATOM 1866 N VAL A 659 7.707 -19.050 7.712 1.00 65.42 N ATOM 1867 CA VAL A 659 7.769 -20.082 8.733 1.00 61.30 C ATOM 1868 C VAL A 659 8.811 -21.129 8.332 1.00 12.22 C ATOM 1869 O VAL A 659 8.646 -21.821 7.329 1.00 45.12 O ATOM 1870 CB VAL A 659 6.378 -20.679 8.959 1.00 64.05 C ATOM 1871 CG1 VAL A 659 5.515 -20.547 7.703 1.00 52.34 C ATOM 1872 CG2 VAL A 659 6.474 -22.139 9.407 1.00 2.30 C ATOM 0 H VAL A 659 7.917 -19.372 6.767 1.00 65.42 H new ATOM 0 HA VAL A 659 8.085 -19.658 9.686 1.00 61.30 H new ATOM 0 HB VAL A 659 5.897 -20.115 9.758 1.00 64.05 H new ATOM 0 HG11 VAL A 659 4.532 -20.979 7.890 1.00 52.34 H new ATOM 0 HG12 VAL A 659 5.406 -19.493 7.446 1.00 52.34 H new ATOM 0 HG13 VAL A 659 5.992 -21.075 6.877 1.00 52.34 H new ATOM 0 HG21 VAL A 659 5.472 -22.539 9.561 1.00 2.30 H new ATOM 0 HG22 VAL A 659 6.984 -22.722 8.640 1.00 2.30 H new ATOM 0 HG23 VAL A 659 7.035 -22.197 10.340 1.00 2.30 H new ATOM 1882 N PRO A 660 9.888 -21.214 9.159 1.00 54.45 N ATOM 1883 CA PRO A 660 10.956 -22.164 8.900 1.00 10.04 C ATOM 1884 C PRO A 660 10.523 -23.587 9.261 1.00 5.43 C ATOM 1885 O PRO A 660 9.444 -23.789 9.814 1.00 34.51 O ATOM 1886 CB PRO A 660 12.130 -21.671 9.731 1.00 71.32 C ATOM 1887 CG PRO A 660 11.539 -20.739 10.776 1.00 31.32 C ATOM 1888 CD PRO A 660 10.116 -20.410 10.356 1.00 72.11 C ATOM 0 HA PRO A 660 11.226 -22.217 7.845 1.00 10.04 H new ATOM 0 HB2 PRO A 660 12.653 -22.504 10.201 1.00 71.32 H new ATOM 0 HB3 PRO A 660 12.857 -21.149 9.109 1.00 71.32 H new ATOM 0 HG2 PRO A 660 11.547 -21.212 11.758 1.00 31.32 H new ATOM 0 HG3 PRO A 660 12.134 -19.829 10.856 1.00 31.32 H new ATOM 0 HD2 PRO A 660 9.403 -20.659 11.142 1.00 72.11 H new ATOM 0 HD3 PRO A 660 10.001 -19.347 10.147 1.00 72.11 H new ATOM 1896 N ASP A 661 11.389 -24.535 8.934 1.00 51.12 N ATOM 1897 CA ASP A 661 11.110 -25.933 9.217 1.00 50.44 C ATOM 1898 C ASP A 661 11.208 -26.173 10.725 1.00 54.35 C ATOM 1899 O ASP A 661 11.959 -25.489 11.418 1.00 22.31 O ATOM 1900 CB ASP A 661 12.123 -26.847 8.526 1.00 64.12 C ATOM 1901 CG ASP A 661 12.538 -26.408 7.120 1.00 54.11 C ATOM 1902 OD1 ASP A 661 13.321 -25.461 6.951 1.00 34.33 O ATOM 1903 OD2 ASP A 661 12.014 -27.091 6.159 1.00 61.00 O ATOM 0 H ASP A 661 12.284 -24.363 8.476 1.00 51.12 H new ATOM 0 HA ASP A 661 10.110 -26.159 8.848 1.00 50.44 H new ATOM 0 HB2 ASP A 661 13.016 -26.911 9.148 1.00 64.12 H new ATOM 0 HB3 ASP A 661 11.703 -27.851 8.467 1.00 64.12 H new ATOM 1909 N PHE A 662 10.437 -27.146 11.188 1.00 52.34 N ATOM 1910 CA PHE A 662 10.427 -27.484 12.601 1.00 71.44 C ATOM 1911 C PHE A 662 11.795 -28.003 13.050 1.00 75.13 C ATOM 1912 O PHE A 662 12.208 -29.094 12.659 1.00 14.11 O ATOM 1913 CB PHE A 662 9.388 -28.592 12.788 1.00 41.03 C ATOM 1914 CG PHE A 662 9.127 -28.960 14.250 1.00 43.12 C ATOM 1915 CD1 PHE A 662 8.238 -28.239 14.984 1.00 1.22 C ATOM 1916 CD2 PHE A 662 9.785 -30.008 14.815 1.00 15.30 C ATOM 1917 CE1 PHE A 662 7.996 -28.580 16.341 1.00 21.21 C ATOM 1918 CE2 PHE A 662 9.543 -30.349 16.172 1.00 75.10 C ATOM 1919 CZ PHE A 662 8.653 -29.628 16.906 1.00 24.14 C ATOM 0 H PHE A 662 9.815 -27.711 10.610 1.00 52.34 H new ATOM 0 HA PHE A 662 10.191 -26.600 13.194 1.00 71.44 H new ATOM 0 HB2 PHE A 662 8.450 -28.278 12.330 1.00 41.03 H new ATOM 0 HB3 PHE A 662 9.721 -29.482 12.254 1.00 41.03 H new ATOM 0 HD1 PHE A 662 7.716 -27.407 14.535 1.00 1.22 H new ATOM 0 HD2 PHE A 662 10.491 -30.580 14.232 1.00 15.30 H new ATOM 0 HE1 PHE A 662 7.290 -28.007 16.924 1.00 21.21 H new ATOM 0 HE2 PHE A 662 10.065 -31.181 16.621 1.00 75.10 H new ATOM 0 HZ PHE A 662 8.468 -29.888 17.938 1.00 24.14 H new