USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 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 651 LYS NZ :NH3+ -134:sc= -0.629 (180deg=-2.07) USER MOD Set 1.2: A 653 SER OG : rot 180:sc= 0.0883 USER MOD Set 2.1: A 585 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 588 TYR OH : rot 180:sc= -0.137 USER MOD Set 2.3: A 622 GLN : amide:sc= -3.32 K(o=-3.5,f=-8.5!) USER MOD Set 3.1: A 581 ASN : amide:sc= -11.3! C(o=-15!,f=-19!) USER MOD Set 3.2: A 583 ASN : amide:sc= -4.24! C(o=-15!,f=-5.7!) USER MOD Set 4.1: A 571 LYS NZ :NH3+ 168:sc= -1.3 (180deg=0) USER MOD Set 4.2: A 577 HIS : no HE2:sc= -20.1! C(o=-21!,f=-17!) USER MOD Set 5.1: A 556 CYS SG : rot -148:sc= 0.0758 USER MOD Set 5.2: A 559 CYS SG : rot -15:sc= -18! USER MOD Set 5.3: A 612 CYS SG : rot -141:sc= -0.969 USER MOD Set 5.4: A 615 CYS SG : rot 25:sc= -25.3! USER MOD Set 6.1: A 553 GLN : amide:sc= -2.78! C(o=-5!,f=-11!) USER MOD Set 6.2: A 565 HIS : no HD1:sc= -2.26! C(o=-5!,f=-7.5!) USER MOD Single : A 546 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 551 HIS : no HD1:sc= -0.833 X(o=-0.83,f=-1.3) USER MOD Single : A 558 ASN : amide:sc= -0.844! K(o=-0.84!,f=-2.7) USER MOD Single : A 560 MET CE :methyl 151:sc= -0.441 (180deg=-2.09!) USER MOD Single : A 567 SER OG : rot 180:sc= 0 USER MOD Single : A 575 THR OG1 : rot -160:sc= -0.66 USER MOD Single : A 576 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : A 579 ASN : amide:sc= -4.43! K(o=-4.4!,f=-0.86) USER MOD Single : A 586 ASN : amide:sc= -0.824 K(o=-0.82,f=0) USER MOD Single : A 587 TYR OH : rot -78:sc= 1.05 USER MOD Single : A 589 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.25) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 605 LYS NZ :NH3+ 175:sc= -8.7! (180deg=-8.92!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 614 ASN : amide:sc= -5.35! K(o=-5.3!,f=-2.9) USER MOD Single : A 623 MET CE :methyl 157:sc= -0.108 (180deg=-0.637) 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 -52:sc= 0.612 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 LYS NZ :NH3+ -131:sc= 1.04 (180deg=-0.0752) USER MOD Single : A 637 SER OG : rot 118:sc= -1.24! USER MOD Single : A 638 MET CE :methyl -146:sc= -8.99! (180deg=-10.5!) USER MOD Single : A 642 THR OG1 : rot -125:sc= 1.12 USER MOD Single : A 644 GLN : amide:sc= -1.85 K(o=-1.9,f=-0.91) USER MOD Single : A 648 GLN : amide:sc= -3.94! C(o=-3.9!,f=-6.1!) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 SER OG : rot 180:sc= 0.0852 USER MOD ----------------------------------------------------------------- ATOM 56 N GLN A 546 5.309 -6.162 2.615 1.00 12.35 N ATOM 57 CA GLN A 546 6.032 -6.876 3.653 1.00 25.33 C ATOM 58 C GLN A 546 5.080 -7.288 4.777 1.00 34.23 C ATOM 59 O GLN A 546 4.184 -6.530 5.146 1.00 43.40 O ATOM 60 CB GLN A 546 7.188 -6.033 4.196 1.00 62.24 C ATOM 61 CG GLN A 546 8.429 -6.170 3.311 1.00 21.22 C ATOM 62 CD GLN A 546 9.538 -5.221 3.771 1.00 33.42 C ATOM 63 OE1 GLN A 546 10.630 -5.629 4.130 1.00 20.35 O ATOM 64 NE2 GLN A 546 9.197 -3.936 3.740 1.00 23.10 N ATOM 0 HA GLN A 546 6.458 -7.779 3.215 1.00 25.33 H new ATOM 0 HB2 GLN A 546 6.887 -4.987 4.247 1.00 62.24 H new ATOM 0 HB3 GLN A 546 7.425 -6.347 5.213 1.00 62.24 H new ATOM 0 HG2 GLN A 546 8.790 -7.198 3.341 1.00 21.22 H new ATOM 0 HG3 GLN A 546 8.167 -5.954 2.275 1.00 21.22 H new ATOM 0 HE21 GLN A 546 8.265 -3.663 3.428 1.00 23.10 H new ATOM 0 HE22 GLN A 546 9.868 -3.223 4.028 1.00 23.10 H new ATOM 73 N PHE A 547 5.305 -8.489 5.291 1.00 51.34 N ATOM 74 CA PHE A 547 4.478 -9.010 6.365 1.00 35.42 C ATOM 75 C PHE A 547 5.281 -9.946 7.271 1.00 73.44 C ATOM 76 O PHE A 547 5.528 -11.098 6.916 1.00 43.23 O ATOM 77 CB PHE A 547 3.343 -9.802 5.712 1.00 53.31 C ATOM 78 CG PHE A 547 2.882 -9.235 4.368 1.00 41.54 C ATOM 79 CD1 PHE A 547 3.715 -9.272 3.293 1.00 52.52 C ATOM 80 CD2 PHE A 547 1.640 -8.693 4.247 1.00 23.44 C ATOM 81 CE1 PHE A 547 3.287 -8.745 2.045 1.00 23.13 C ATOM 82 CE2 PHE A 547 1.213 -8.167 3.000 1.00 51.12 C ATOM 83 CZ PHE A 547 2.045 -8.204 1.925 1.00 5.10 C ATOM 0 H PHE A 547 6.049 -9.116 4.983 1.00 51.34 H new ATOM 0 HA PHE A 547 4.103 -8.190 6.977 1.00 35.42 H new ATOM 0 HB2 PHE A 547 3.669 -10.832 5.568 1.00 53.31 H new ATOM 0 HB3 PHE A 547 2.493 -9.829 6.394 1.00 53.31 H new ATOM 0 HD1 PHE A 547 4.701 -9.702 3.388 1.00 52.52 H new ATOM 0 HD2 PHE A 547 0.979 -8.663 5.100 1.00 23.44 H new ATOM 0 HE1 PHE A 547 3.948 -8.774 1.191 1.00 23.13 H new ATOM 0 HE2 PHE A 547 0.227 -7.737 2.905 1.00 51.12 H new ATOM 0 HZ PHE A 547 1.720 -7.804 0.976 1.00 5.10 H new ATOM 93 N PRO A 548 5.676 -9.403 8.453 1.00 33.11 N ATOM 94 CA PRO A 548 6.446 -10.177 9.412 1.00 13.21 C ATOM 95 C PRO A 548 5.559 -11.193 10.135 1.00 1.33 C ATOM 96 O PRO A 548 4.436 -10.876 10.525 1.00 4.31 O ATOM 97 CB PRO A 548 7.055 -9.147 10.349 1.00 24.13 C ATOM 98 CG PRO A 548 6.236 -7.880 10.166 1.00 30.03 C ATOM 99 CD PRO A 548 5.401 -8.043 8.907 1.00 53.00 C ATOM 0 HA PRO A 548 7.224 -10.777 8.941 1.00 13.21 H new ATOM 0 HB2 PRO A 548 7.018 -9.490 11.383 1.00 24.13 H new ATOM 0 HB3 PRO A 548 8.104 -8.972 10.108 1.00 24.13 H new ATOM 0 HG2 PRO A 548 5.594 -7.712 11.031 1.00 30.03 H new ATOM 0 HG3 PRO A 548 6.890 -7.012 10.081 1.00 30.03 H new ATOM 0 HD2 PRO A 548 4.340 -7.902 9.114 1.00 53.00 H new ATOM 0 HD3 PRO A 548 5.678 -7.309 8.150 1.00 53.00 H new ATOM 107 N VAL A 549 6.097 -12.393 10.293 1.00 60.33 N ATOM 108 CA VAL A 549 5.369 -13.458 10.962 1.00 11.43 C ATOM 109 C VAL A 549 4.789 -12.926 12.275 1.00 44.13 C ATOM 110 O VAL A 549 3.658 -13.249 12.634 1.00 42.11 O ATOM 111 CB VAL A 549 6.280 -14.671 11.159 1.00 34.21 C ATOM 112 CG1 VAL A 549 6.742 -15.234 9.814 1.00 54.04 C ATOM 113 CG2 VAL A 549 7.475 -14.321 12.047 1.00 44.01 C ATOM 0 H VAL A 549 7.029 -12.652 9.969 1.00 60.33 H new ATOM 0 HA VAL A 549 4.533 -13.793 10.349 1.00 11.43 H new ATOM 0 HB VAL A 549 5.703 -15.445 11.665 1.00 34.21 H new ATOM 0 HG11 VAL A 549 7.388 -16.095 9.983 1.00 54.04 H new ATOM 0 HG12 VAL A 549 5.874 -15.540 9.230 1.00 54.04 H new ATOM 0 HG13 VAL A 549 7.294 -14.468 9.269 1.00 54.04 H new ATOM 0 HG21 VAL A 549 8.106 -15.201 12.171 1.00 44.01 H new ATOM 0 HG22 VAL A 549 8.053 -13.522 11.581 1.00 44.01 H new ATOM 0 HG23 VAL A 549 7.119 -13.990 13.022 1.00 44.01 H new ATOM 123 N GLU A 550 5.591 -12.119 12.955 1.00 60.44 N ATOM 124 CA GLU A 550 5.172 -11.540 14.219 1.00 10.25 C ATOM 125 C GLU A 550 3.882 -10.738 14.034 1.00 4.53 C ATOM 126 O GLU A 550 3.033 -10.707 14.923 1.00 30.25 O ATOM 127 CB GLU A 550 6.279 -10.669 14.817 1.00 53.52 C ATOM 128 CG GLU A 550 6.802 -9.664 13.788 1.00 73.54 C ATOM 129 CD GLU A 550 7.339 -8.406 14.473 1.00 61.51 C ATOM 130 OE1 GLU A 550 8.360 -7.852 14.039 1.00 21.43 O ATOM 131 OE2 GLU A 550 6.655 -8.006 15.491 1.00 44.11 O ATOM 0 H GLU A 550 6.528 -11.853 12.654 1.00 60.44 H new ATOM 0 HA GLU A 550 4.975 -12.351 14.920 1.00 10.25 H new ATOM 0 HB2 GLU A 550 5.897 -10.137 15.689 1.00 53.52 H new ATOM 0 HB3 GLU A 550 7.097 -11.301 15.162 1.00 53.52 H new ATOM 0 HG2 GLU A 550 7.592 -10.124 13.194 1.00 73.54 H new ATOM 0 HG3 GLU A 550 6.002 -9.394 13.099 1.00 73.54 H new ATOM 139 N HIS A 551 3.777 -10.107 12.874 1.00 74.43 N ATOM 140 CA HIS A 551 2.605 -9.307 12.561 1.00 70.14 C ATOM 141 C HIS A 551 1.486 -10.215 12.046 1.00 10.21 C ATOM 142 O HIS A 551 0.323 -9.814 12.011 1.00 24.51 O ATOM 143 CB HIS A 551 2.958 -8.187 11.580 1.00 62.32 C ATOM 144 CG HIS A 551 3.399 -6.905 12.245 1.00 51.14 C ATOM 145 ND1 HIS A 551 3.681 -5.751 11.535 1.00 52.14 N ATOM 146 CD2 HIS A 551 3.602 -6.607 13.560 1.00 32.11 C ATOM 147 CE1 HIS A 551 4.037 -4.808 12.394 1.00 4.30 C ATOM 148 NE2 HIS A 551 3.988 -5.340 13.649 1.00 63.53 N ATOM 0 H HIS A 551 4.484 -10.133 12.139 1.00 74.43 H new ATOM 0 HA HIS A 551 2.242 -8.818 13.465 1.00 70.14 H new ATOM 0 HB2 HIS A 551 3.753 -8.534 10.919 1.00 62.32 H new ATOM 0 HB3 HIS A 551 2.090 -7.980 10.954 1.00 62.32 H new ATOM 0 HD2 HIS A 551 3.471 -7.287 14.389 1.00 32.11 H new ATOM 0 HE1 HIS A 551 4.317 -3.795 12.145 1.00 4.30 H new ATOM 0 HE2 HIS A 551 4.211 -4.846 14.513 1.00 63.53 H new ATOM 156 N VAL A 552 1.876 -11.420 11.660 1.00 64.53 N ATOM 157 CA VAL A 552 0.921 -12.389 11.149 1.00 52.53 C ATOM 158 C VAL A 552 0.461 -13.297 12.291 1.00 44.02 C ATOM 159 O VAL A 552 1.285 -13.868 13.004 1.00 72.31 O ATOM 160 CB VAL A 552 1.534 -13.162 9.979 1.00 11.14 C ATOM 161 CG1 VAL A 552 0.624 -14.313 9.547 1.00 63.52 C ATOM 162 CG2 VAL A 552 1.836 -12.230 8.804 1.00 73.10 C ATOM 0 H VAL A 552 2.841 -11.748 11.691 1.00 64.53 H new ATOM 0 HA VAL A 552 0.037 -11.885 10.759 1.00 52.53 H new ATOM 0 HB VAL A 552 2.478 -13.590 10.317 1.00 11.14 H new ATOM 0 HG11 VAL A 552 1.082 -14.846 8.714 1.00 63.52 H new ATOM 0 HG12 VAL A 552 0.482 -14.998 10.383 1.00 63.52 H new ATOM 0 HG13 VAL A 552 -0.342 -13.916 9.236 1.00 63.52 H new ATOM 0 HG21 VAL A 552 2.271 -12.805 7.986 1.00 73.10 H new ATOM 0 HG22 VAL A 552 0.913 -11.760 8.466 1.00 73.10 H new ATOM 0 HG23 VAL A 552 2.540 -11.461 9.121 1.00 73.10 H new ATOM 172 N GLN A 553 -0.852 -13.402 12.429 1.00 71.01 N ATOM 173 CA GLN A 553 -1.431 -14.231 13.472 1.00 31.22 C ATOM 174 C GLN A 553 -2.257 -15.361 12.855 1.00 71.51 C ATOM 175 O GLN A 553 -2.929 -15.163 11.844 1.00 72.10 O ATOM 176 CB GLN A 553 -2.279 -13.393 14.431 1.00 22.34 C ATOM 177 CG GLN A 553 -2.704 -14.216 15.649 1.00 73.40 C ATOM 178 CD GLN A 553 -2.892 -13.322 16.876 1.00 34.54 C ATOM 179 OE1 GLN A 553 -2.135 -13.368 17.831 1.00 4.24 O ATOM 180 NE2 GLN A 553 -3.942 -12.510 16.798 1.00 51.52 N ATOM 0 H GLN A 553 -1.532 -12.927 11.836 1.00 71.01 H new ATOM 0 HA GLN A 553 -0.619 -14.674 14.049 1.00 31.22 H new ATOM 0 HB2 GLN A 553 -1.712 -12.521 14.757 1.00 22.34 H new ATOM 0 HB3 GLN A 553 -3.163 -13.022 13.912 1.00 22.34 H new ATOM 0 HG2 GLN A 553 -3.634 -14.741 15.431 1.00 73.40 H new ATOM 0 HG3 GLN A 553 -1.951 -14.976 15.860 1.00 73.40 H new ATOM 0 HE21 GLN A 553 -4.536 -12.522 15.969 1.00 51.52 H new ATOM 0 HE22 GLN A 553 -4.154 -11.875 17.568 1.00 51.52 H new ATOM 189 N LEU A 554 -2.180 -16.522 13.489 1.00 62.32 N ATOM 190 CA LEU A 554 -2.912 -17.684 13.014 1.00 20.35 C ATOM 191 C LEU A 554 -4.344 -17.633 13.550 1.00 13.20 C ATOM 192 O LEU A 554 -4.564 -17.735 14.756 1.00 1.10 O ATOM 193 CB LEU A 554 -2.167 -18.971 13.375 1.00 44.03 C ATOM 194 CG LEU A 554 -0.966 -19.320 12.493 1.00 50.03 C ATOM 195 CD1 LEU A 554 -0.832 -20.835 12.324 1.00 41.45 C ATOM 196 CD2 LEU A 554 -1.046 -18.598 11.146 1.00 14.33 C ATOM 0 H LEU A 554 -1.622 -16.683 14.328 1.00 62.32 H new ATOM 0 HA LEU A 554 -2.977 -17.674 11.926 1.00 20.35 H new ATOM 0 HB2 LEU A 554 -1.824 -18.892 14.407 1.00 44.03 H new ATOM 0 HB3 LEU A 554 -2.874 -19.800 13.337 1.00 44.03 H new ATOM 0 HG LEU A 554 -0.063 -18.970 12.992 1.00 50.03 H new ATOM 0 HD11 LEU A 554 0.029 -21.056 11.693 1.00 41.45 H new ATOM 0 HD12 LEU A 554 -0.695 -21.299 13.301 1.00 41.45 H new ATOM 0 HD13 LEU A 554 -1.734 -21.230 11.858 1.00 41.45 H new ATOM 0 HD21 LEU A 554 -0.181 -18.864 10.539 1.00 14.33 H new ATOM 0 HD22 LEU A 554 -1.958 -18.895 10.628 1.00 14.33 H new ATOM 0 HD23 LEU A 554 -1.057 -17.521 11.311 1.00 14.33 H new ATOM 208 N LEU A 555 -5.282 -17.474 12.627 1.00 23.43 N ATOM 209 CA LEU A 555 -6.687 -17.408 12.992 1.00 62.14 C ATOM 210 C LEU A 555 -7.502 -18.266 12.022 1.00 23.50 C ATOM 211 O LEU A 555 -6.983 -18.845 11.068 1.00 74.42 O ATOM 212 CB LEU A 555 -7.153 -15.953 13.065 1.00 11.34 C ATOM 213 CG LEU A 555 -6.091 -14.928 13.470 1.00 53.01 C ATOM 214 CD1 LEU A 555 -5.463 -14.274 12.238 1.00 53.23 C ATOM 215 CD2 LEU A 555 -6.669 -13.893 14.437 1.00 41.51 C ATOM 0 H LEU A 555 -5.096 -17.389 11.628 1.00 23.43 H new ATOM 0 HA LEU A 555 -6.841 -17.819 13.990 1.00 62.14 H new ATOM 0 HB2 LEU A 555 -7.550 -15.670 12.090 1.00 11.34 H new ATOM 0 HB3 LEU A 555 -7.978 -15.892 13.775 1.00 11.34 H new ATOM 0 HG LEU A 555 -5.294 -15.452 13.998 1.00 53.01 H new ATOM 0 HD11 LEU A 555 -4.712 -13.550 12.554 1.00 53.23 H new ATOM 0 HD12 LEU A 555 -4.993 -15.039 11.620 1.00 53.23 H new ATOM 0 HD13 LEU A 555 -6.236 -13.767 11.661 1.00 53.23 H new ATOM 0 HD21 LEU A 555 -5.894 -13.177 14.709 1.00 41.51 H new ATOM 0 HD22 LEU A 555 -7.496 -13.369 13.957 1.00 41.51 H new ATOM 0 HD23 LEU A 555 -7.030 -14.395 15.335 1.00 41.51 H new ATOM 227 N CYS A 556 -8.802 -18.336 12.290 1.00 21.41 N ATOM 228 CA CYS A 556 -9.713 -19.115 11.460 1.00 14.15 C ATOM 229 C CYS A 556 -10.503 -18.209 10.520 1.00 1.43 C ATOM 230 O CYS A 556 -11.421 -17.527 10.972 1.00 13.42 O ATOM 231 CB CYS A 556 -10.675 -19.919 12.338 1.00 43.23 C ATOM 232 SG CYS A 556 -11.434 -21.345 11.495 1.00 44.10 S ATOM 0 H CYS A 556 -9.248 -17.862 13.076 1.00 21.41 H new ATOM 0 HA CYS A 556 -9.118 -19.803 10.859 1.00 14.15 H new ATOM 0 HB2 CYS A 556 -10.137 -20.274 13.217 1.00 43.23 H new ATOM 0 HB3 CYS A 556 -11.465 -19.257 12.693 1.00 43.23 H new ATOM 0 HG CYS A 556 -12.632 -21.538 11.962 1.00 44.10 H new ATOM 237 N ILE A 557 -10.132 -18.220 9.248 1.00 34.33 N ATOM 238 CA ILE A 557 -10.812 -17.396 8.263 1.00 33.52 C ATOM 239 C ILE A 557 -12.296 -17.300 8.622 1.00 75.40 C ATOM 240 O ILE A 557 -12.922 -16.261 8.419 1.00 2.32 O ATOM 241 CB ILE A 557 -10.554 -17.926 6.851 1.00 21.53 C ATOM 242 CG1 ILE A 557 -11.624 -18.941 6.442 1.00 24.24 C ATOM 243 CG2 ILE A 557 -9.142 -18.503 6.732 1.00 44.30 C ATOM 244 CD1 ILE A 557 -11.312 -19.544 5.071 1.00 2.20 C ATOM 0 H ILE A 557 -9.369 -18.786 8.877 1.00 34.33 H new ATOM 0 HA ILE A 557 -10.414 -16.381 8.275 1.00 33.52 H new ATOM 0 HB ILE A 557 -10.620 -17.090 6.155 1.00 21.53 H new ATOM 0 HG12 ILE A 557 -11.682 -19.734 7.187 1.00 24.24 H new ATOM 0 HG13 ILE A 557 -12.600 -18.456 6.416 1.00 24.24 H new ATOM 0 HG21 ILE A 557 -8.984 -18.873 5.719 1.00 44.30 H new ATOM 0 HG22 ILE A 557 -8.411 -17.725 6.952 1.00 44.30 H new ATOM 0 HG23 ILE A 557 -9.023 -19.323 7.440 1.00 44.30 H new ATOM 0 HD11 ILE A 557 -12.088 -20.262 4.804 1.00 2.20 H new ATOM 0 HD12 ILE A 557 -11.279 -18.751 4.324 1.00 2.20 H new ATOM 0 HD13 ILE A 557 -10.347 -20.049 5.107 1.00 2.20 H new ATOM 256 N ASN A 558 -12.817 -18.399 9.149 1.00 54.30 N ATOM 257 CA ASN A 558 -14.216 -18.451 9.538 1.00 74.40 C ATOM 258 C ASN A 558 -14.391 -17.760 10.891 1.00 13.34 C ATOM 259 O ASN A 558 -15.107 -16.764 10.996 1.00 25.51 O ATOM 260 CB ASN A 558 -14.694 -19.898 9.681 1.00 52.31 C ATOM 261 CG ASN A 558 -15.060 -20.492 8.319 1.00 1.51 C ATOM 262 OD1 ASN A 558 -14.581 -20.069 7.280 1.00 52.53 O ATOM 263 ND2 ASN A 558 -15.933 -21.493 8.382 1.00 1.14 N ATOM 0 H ASN A 558 -12.295 -19.260 9.315 1.00 54.30 H new ATOM 0 HA ASN A 558 -14.800 -17.952 8.764 1.00 74.40 H new ATOM 0 HB2 ASN A 558 -13.912 -20.499 10.145 1.00 52.31 H new ATOM 0 HB3 ASN A 558 -15.560 -19.935 10.342 1.00 52.31 H new ATOM 0 HD21 ASN A 558 -16.241 -21.956 7.527 1.00 1.14 H new ATOM 0 HD22 ASN A 558 -16.295 -21.798 9.286 1.00 1.14 H new ATOM 270 N CYS A 559 -13.726 -18.314 11.894 1.00 61.52 N ATOM 271 CA CYS A 559 -13.799 -17.763 13.236 1.00 21.44 C ATOM 272 C CYS A 559 -13.035 -16.438 13.254 1.00 51.13 C ATOM 273 O CYS A 559 -13.640 -15.370 13.338 1.00 62.00 O ATOM 274 CB CYS A 559 -13.263 -18.745 14.281 1.00 44.25 C ATOM 275 SG CYS A 559 -13.537 -20.511 13.886 1.00 11.43 S ATOM 0 H CYS A 559 -13.134 -19.139 11.804 1.00 61.52 H new ATOM 0 HA CYS A 559 -14.841 -17.584 13.502 1.00 21.44 H new ATOM 0 HB2 CYS A 559 -12.193 -18.576 14.403 1.00 44.25 H new ATOM 0 HB3 CYS A 559 -13.732 -18.525 15.240 1.00 44.25 H new ATOM 0 HG CYS A 559 -14.412 -20.611 12.930 1.00 11.43 H new ATOM 280 N MET A 560 -11.717 -16.550 13.173 1.00 54.35 N ATOM 281 CA MET A 560 -10.865 -15.373 13.178 1.00 63.22 C ATOM 282 C MET A 560 -10.716 -14.810 14.593 1.00 54.24 C ATOM 283 O MET A 560 -10.762 -13.597 14.789 1.00 12.54 O ATOM 284 CB MET A 560 -11.464 -14.304 12.263 1.00 53.24 C ATOM 285 CG MET A 560 -11.860 -14.899 10.910 1.00 70.22 C ATOM 286 SD MET A 560 -12.646 -13.654 9.901 1.00 44.20 S ATOM 287 CE MET A 560 -14.358 -13.973 10.291 1.00 21.33 C ATOM 0 H MET A 560 -11.219 -17.437 13.104 1.00 54.35 H new ATOM 0 HA MET A 560 -9.878 -15.661 12.816 1.00 63.22 H new ATOM 0 HB2 MET A 560 -12.339 -13.861 12.739 1.00 53.24 H new ATOM 0 HB3 MET A 560 -10.742 -13.502 12.114 1.00 53.24 H new ATOM 0 HG2 MET A 560 -10.977 -15.286 10.402 1.00 70.22 H new ATOM 0 HG3 MET A 560 -12.538 -15.740 11.058 1.00 70.22 H new ATOM 0 HE1 MET A 560 -14.930 -13.050 10.198 1.00 21.33 H new ATOM 0 HE2 MET A 560 -14.756 -14.718 9.601 1.00 21.33 H new ATOM 0 HE3 MET A 560 -14.435 -14.347 11.312 1.00 21.33 H new ATOM 297 N VAL A 561 -10.542 -15.718 15.541 1.00 3.15 N ATOM 298 CA VAL A 561 -10.386 -15.327 16.932 1.00 14.22 C ATOM 299 C VAL A 561 -8.928 -15.521 17.352 1.00 32.14 C ATOM 300 O VAL A 561 -8.552 -15.189 18.475 1.00 14.45 O ATOM 301 CB VAL A 561 -11.370 -16.106 17.808 1.00 62.01 C ATOM 302 CG1 VAL A 561 -12.682 -16.363 17.064 1.00 42.11 C ATOM 303 CG2 VAL A 561 -10.750 -17.417 18.295 1.00 21.13 C ATOM 0 H VAL A 561 -10.506 -16.724 15.374 1.00 3.15 H new ATOM 0 HA VAL A 561 -10.623 -14.271 17.061 1.00 14.22 H new ATOM 0 HB VAL A 561 -11.595 -15.496 18.683 1.00 62.01 H new ATOM 0 HG11 VAL A 561 -13.363 -16.918 17.709 1.00 42.11 H new ATOM 0 HG12 VAL A 561 -13.137 -15.411 16.789 1.00 42.11 H new ATOM 0 HG13 VAL A 561 -12.482 -16.943 16.163 1.00 42.11 H new ATOM 0 HG21 VAL A 561 -11.470 -17.951 18.915 1.00 21.13 H new ATOM 0 HG22 VAL A 561 -10.482 -18.034 17.437 1.00 21.13 H new ATOM 0 HG23 VAL A 561 -9.856 -17.201 18.880 1.00 21.13 H new ATOM 313 N ALA A 562 -8.146 -16.059 16.428 1.00 50.30 N ATOM 314 CA ALA A 562 -6.737 -16.301 16.688 1.00 32.34 C ATOM 315 C ALA A 562 -6.580 -17.641 17.411 1.00 1.41 C ATOM 316 O ALA A 562 -6.795 -17.727 18.619 1.00 21.21 O ATOM 317 CB ALA A 562 -6.158 -15.134 17.490 1.00 21.34 C ATOM 0 H ALA A 562 -8.461 -16.334 15.498 1.00 50.30 H new ATOM 0 HA ALA A 562 -6.179 -16.363 15.754 1.00 32.34 H new ATOM 0 HB1 ALA A 562 -5.101 -15.315 17.685 1.00 21.34 H new ATOM 0 HB2 ALA A 562 -6.269 -14.211 16.921 1.00 21.34 H new ATOM 0 HB3 ALA A 562 -6.691 -15.043 18.436 1.00 21.34 H new ATOM 323 N VAL A 563 -6.206 -18.652 16.641 1.00 1.21 N ATOM 324 CA VAL A 563 -6.017 -19.983 17.193 1.00 52.21 C ATOM 325 C VAL A 563 -4.527 -20.219 17.445 1.00 2.13 C ATOM 326 O VAL A 563 -4.142 -21.250 17.996 1.00 55.42 O ATOM 327 CB VAL A 563 -6.639 -21.027 16.264 1.00 71.41 C ATOM 328 CG1 VAL A 563 -8.150 -21.126 16.483 1.00 11.13 C ATOM 329 CG2 VAL A 563 -6.316 -20.721 14.800 1.00 13.21 C ATOM 0 H VAL A 563 -6.029 -18.576 15.639 1.00 1.21 H new ATOM 0 HA VAL A 563 -6.527 -20.075 18.152 1.00 52.21 H new ATOM 0 HB VAL A 563 -6.201 -21.995 16.508 1.00 71.41 H new ATOM 0 HG11 VAL A 563 -8.567 -21.875 15.810 1.00 11.13 H new ATOM 0 HG12 VAL A 563 -8.350 -21.414 17.515 1.00 11.13 H new ATOM 0 HG13 VAL A 563 -8.611 -20.159 16.280 1.00 11.13 H new ATOM 0 HG21 VAL A 563 -6.770 -21.478 14.161 1.00 13.21 H new ATOM 0 HG22 VAL A 563 -6.712 -19.740 14.537 1.00 13.21 H new ATOM 0 HG23 VAL A 563 -5.235 -20.726 14.657 1.00 13.21 H new ATOM 339 N GLY A 564 -3.728 -19.247 17.031 1.00 42.14 N ATOM 340 CA GLY A 564 -2.288 -19.336 17.205 1.00 41.02 C ATOM 341 C GLY A 564 -1.590 -18.095 16.645 1.00 40.11 C ATOM 342 O GLY A 564 -2.221 -17.056 16.455 1.00 61.33 O ATOM 0 H GLY A 564 -4.050 -18.393 16.575 1.00 42.14 H new ATOM 0 HA2 GLY A 564 -2.052 -19.444 18.264 1.00 41.02 H new ATOM 0 HA3 GLY A 564 -1.912 -20.227 16.702 1.00 41.02 H new ATOM 346 N HIS A 565 -0.297 -18.244 16.397 1.00 51.34 N ATOM 347 CA HIS A 565 0.493 -17.148 15.862 1.00 4.23 C ATOM 348 C HIS A 565 1.207 -17.603 14.588 1.00 22.51 C ATOM 349 O HIS A 565 1.611 -18.760 14.478 1.00 74.31 O ATOM 350 CB HIS A 565 1.457 -16.607 16.920 1.00 11.44 C ATOM 351 CG HIS A 565 0.797 -15.737 17.964 1.00 44.41 C ATOM 352 ND1 HIS A 565 0.390 -16.220 19.195 1.00 70.52 N ATOM 353 CD2 HIS A 565 0.480 -14.410 17.947 1.00 23.13 C ATOM 354 CE1 HIS A 565 -0.148 -15.222 19.880 1.00 43.24 C ATOM 355 NE2 HIS A 565 -0.091 -14.101 19.105 1.00 53.25 N ATOM 0 H HIS A 565 0.223 -19.107 16.557 1.00 51.34 H new ATOM 0 HA HIS A 565 -0.163 -16.320 15.593 1.00 4.23 H new ATOM 0 HB2 HIS A 565 1.944 -17.446 17.416 1.00 11.44 H new ATOM 0 HB3 HIS A 565 2.239 -16.032 16.424 1.00 11.44 H new ATOM 0 HD2 HIS A 565 0.663 -13.727 17.130 1.00 23.13 H new ATOM 0 HE1 HIS A 565 -0.559 -15.285 20.877 1.00 43.24 H new ATOM 0 HE2 HIS A 565 -0.431 -13.177 19.371 1.00 53.25 H new ATOM 363 N GLY A 566 1.341 -16.670 13.657 1.00 23.14 N ATOM 364 CA GLY A 566 1.999 -16.961 12.395 1.00 64.20 C ATOM 365 C GLY A 566 3.513 -17.082 12.581 1.00 63.11 C ATOM 366 O GLY A 566 4.212 -17.588 11.704 1.00 54.13 O ATOM 0 H GLY A 566 1.005 -15.712 13.752 1.00 23.14 H new ATOM 0 HA2 GLY A 566 1.605 -17.889 11.981 1.00 64.20 H new ATOM 0 HA3 GLY A 566 1.779 -16.172 11.676 1.00 64.20 H new ATOM 370 N SER A 567 3.976 -16.609 13.729 1.00 60.22 N ATOM 371 CA SER A 567 5.394 -16.658 14.041 1.00 43.00 C ATOM 372 C SER A 567 5.667 -17.761 15.065 1.00 30.52 C ATOM 373 O SER A 567 6.777 -17.873 15.582 1.00 5.12 O ATOM 374 CB SER A 567 5.889 -15.310 14.569 1.00 14.20 C ATOM 375 OG SER A 567 5.588 -15.135 15.951 1.00 25.21 O ATOM 0 H SER A 567 3.394 -16.190 14.454 1.00 60.22 H new ATOM 0 HA SER A 567 5.938 -16.880 13.123 1.00 43.00 H new ATOM 0 HB2 SER A 567 6.966 -15.236 14.420 1.00 14.20 H new ATOM 0 HB3 SER A 567 5.432 -14.505 13.994 1.00 14.20 H new ATOM 0 HG SER A 567 5.922 -14.264 16.251 1.00 25.21 H new ATOM 381 N ASP A 568 4.635 -18.549 15.328 1.00 75.24 N ATOM 382 CA ASP A 568 4.749 -19.640 16.281 1.00 72.13 C ATOM 383 C ASP A 568 4.722 -20.973 15.530 1.00 45.35 C ATOM 384 O ASP A 568 5.179 -21.991 16.048 1.00 42.54 O ATOM 385 CB ASP A 568 3.582 -19.632 17.270 1.00 55.23 C ATOM 386 CG ASP A 568 3.744 -18.677 18.454 1.00 41.41 C ATOM 387 OD1 ASP A 568 3.002 -18.755 19.444 1.00 55.51 O ATOM 388 OD2 ASP A 568 4.693 -17.812 18.330 1.00 4.14 O ATOM 0 H ASP A 568 3.715 -18.454 14.897 1.00 75.24 H new ATOM 0 HA ASP A 568 5.685 -19.515 16.826 1.00 72.13 H new ATOM 0 HB2 ASP A 568 2.671 -19.368 16.732 1.00 55.23 H new ATOM 0 HB3 ASP A 568 3.444 -20.643 17.654 1.00 55.23 H new ATOM 394 N LEU A 569 4.183 -20.923 14.320 1.00 22.34 N ATOM 395 CA LEU A 569 4.091 -22.114 13.493 1.00 64.13 C ATOM 396 C LEU A 569 5.432 -22.348 12.793 1.00 32.32 C ATOM 397 O LEU A 569 6.205 -21.412 12.596 1.00 71.32 O ATOM 398 CB LEU A 569 2.906 -22.008 12.531 1.00 41.00 C ATOM 399 CG LEU A 569 2.816 -20.715 11.717 1.00 22.33 C ATOM 400 CD1 LEU A 569 4.206 -20.239 11.289 1.00 33.15 C ATOM 401 CD2 LEU A 569 1.875 -20.884 10.523 1.00 41.32 C ATOM 0 H LEU A 569 3.806 -20.077 13.893 1.00 22.34 H new ATOM 0 HA LEU A 569 3.894 -22.991 14.109 1.00 64.13 H new ATOM 0 HB2 LEU A 569 2.950 -22.848 11.838 1.00 41.00 H new ATOM 0 HB3 LEU A 569 1.986 -22.117 13.106 1.00 41.00 H new ATOM 0 HG LEU A 569 2.392 -19.939 12.354 1.00 22.33 H new ATOM 0 HD11 LEU A 569 4.114 -19.319 10.712 1.00 33.15 H new ATOM 0 HD12 LEU A 569 4.815 -20.053 12.173 1.00 33.15 H new ATOM 0 HD13 LEU A 569 4.680 -21.005 10.676 1.00 33.15 H new ATOM 0 HD21 LEU A 569 1.829 -19.951 9.961 1.00 41.32 H new ATOM 0 HD22 LEU A 569 2.247 -21.679 9.876 1.00 41.32 H new ATOM 0 HD23 LEU A 569 0.878 -21.143 10.879 1.00 41.32 H new ATOM 413 N ARG A 570 5.666 -23.603 12.438 1.00 41.14 N ATOM 414 CA ARG A 570 6.900 -23.972 11.764 1.00 33.14 C ATOM 415 C ARG A 570 6.651 -25.132 10.798 1.00 15.12 C ATOM 416 O ARG A 570 5.840 -26.014 11.077 1.00 14.32 O ATOM 417 CB ARG A 570 7.977 -24.379 12.772 1.00 35.21 C ATOM 418 CG ARG A 570 8.744 -23.156 13.278 1.00 20.35 C ATOM 419 CD ARG A 570 9.368 -23.429 14.649 1.00 75.01 C ATOM 420 NE ARG A 570 8.346 -23.276 15.709 1.00 4.21 N ATOM 421 CZ ARG A 570 8.631 -23.171 17.025 1.00 50.15 C ATOM 422 NH1 ARG A 570 9.911 -23.202 17.453 1.00 13.13 N ATOM 423 NH2 ARG A 570 7.639 -23.038 17.885 1.00 1.43 N ATOM 0 H ARG A 570 5.023 -24.377 12.604 1.00 41.14 H new ATOM 0 HA ARG A 570 7.248 -23.101 11.209 1.00 33.14 H new ATOM 0 HB2 ARG A 570 7.516 -24.897 13.613 1.00 35.21 H new ATOM 0 HB3 ARG A 570 8.670 -25.080 12.306 1.00 35.21 H new ATOM 0 HG2 ARG A 570 9.525 -22.891 12.565 1.00 20.35 H new ATOM 0 HG3 ARG A 570 8.070 -22.302 13.345 1.00 20.35 H new ATOM 0 HD2 ARG A 570 9.783 -24.437 14.675 1.00 75.01 H new ATOM 0 HD3 ARG A 570 10.194 -22.740 14.826 1.00 75.01 H new ATOM 0 HE ARG A 570 7.366 -23.248 15.428 1.00 4.21 H new ATOM 0 HH11 ARG A 570 10.671 -23.305 16.781 1.00 13.13 H new ATOM 0 HH12 ARG A 570 10.118 -23.122 18.449 1.00 13.13 H new ATOM 0 HH21 ARG A 570 6.675 -23.016 17.552 1.00 1.43 H new ATOM 0 HH22 ARG A 570 7.836 -22.957 18.883 1.00 1.43 H new ATOM 436 N LYS A 571 7.363 -25.094 9.682 1.00 50.42 N ATOM 437 CA LYS A 571 7.229 -26.131 8.673 1.00 43.43 C ATOM 438 C LYS A 571 7.903 -27.411 9.171 1.00 15.10 C ATOM 439 O LYS A 571 8.763 -27.363 10.048 1.00 4.23 O ATOM 440 CB LYS A 571 7.763 -25.639 7.326 1.00 60.34 C ATOM 441 CG LYS A 571 7.026 -26.311 6.166 1.00 73.44 C ATOM 442 CD LYS A 571 7.410 -25.674 4.829 1.00 70.02 C ATOM 443 CE LYS A 571 7.220 -24.157 4.870 1.00 14.52 C ATOM 444 NZ LYS A 571 7.150 -23.605 3.498 1.00 33.43 N ATOM 0 H LYS A 571 8.035 -24.361 9.454 1.00 50.42 H new ATOM 0 HA LYS A 571 6.178 -26.368 8.507 1.00 43.43 H new ATOM 0 HB2 LYS A 571 7.647 -24.557 7.258 1.00 60.34 H new ATOM 0 HB3 LYS A 571 8.830 -25.850 7.255 1.00 60.34 H new ATOM 0 HG2 LYS A 571 7.263 -27.375 6.147 1.00 73.44 H new ATOM 0 HG3 LYS A 571 5.950 -26.227 6.317 1.00 73.44 H new ATOM 0 HD2 LYS A 571 8.449 -25.908 4.596 1.00 70.02 H new ATOM 0 HD3 LYS A 571 6.801 -26.099 4.031 1.00 70.02 H new ATOM 0 HE2 LYS A 571 6.307 -23.914 5.413 1.00 14.52 H new ATOM 0 HE3 LYS A 571 8.046 -23.696 5.412 1.00 14.52 H new ATOM 0 HZ1 LYS A 571 6.821 -22.619 3.537 1.00 33.43 H new ATOM 0 HZ2 LYS A 571 8.094 -23.638 3.062 1.00 33.43 H new ATOM 0 HZ3 LYS A 571 6.486 -24.169 2.930 1.00 33.43 H new ATOM 457 N VAL A 572 7.485 -28.526 8.590 1.00 52.12 N ATOM 458 CA VAL A 572 8.037 -29.817 8.964 1.00 53.11 C ATOM 459 C VAL A 572 8.639 -30.487 7.727 1.00 34.12 C ATOM 460 O VAL A 572 7.915 -30.861 6.805 1.00 2.41 O ATOM 461 CB VAL A 572 6.962 -30.669 9.642 1.00 52.10 C ATOM 462 CG1 VAL A 572 7.268 -32.160 9.491 1.00 60.24 C ATOM 463 CG2 VAL A 572 6.809 -30.287 11.116 1.00 74.23 C ATOM 0 H VAL A 572 6.770 -28.562 7.863 1.00 52.12 H new ATOM 0 HA VAL A 572 8.840 -29.693 9.690 1.00 53.11 H new ATOM 0 HB VAL A 572 6.013 -30.470 9.144 1.00 52.10 H new ATOM 0 HG11 VAL A 572 6.489 -32.743 9.982 1.00 60.24 H new ATOM 0 HG12 VAL A 572 7.303 -32.419 8.433 1.00 60.24 H new ATOM 0 HG13 VAL A 572 8.231 -32.382 9.951 1.00 60.24 H new ATOM 0 HG21 VAL A 572 6.039 -30.907 11.575 1.00 74.23 H new ATOM 0 HG22 VAL A 572 7.756 -30.443 11.633 1.00 74.23 H new ATOM 0 HG23 VAL A 572 6.523 -29.238 11.192 1.00 74.23 H new ATOM 473 N GLU A 573 9.957 -30.619 7.747 1.00 12.15 N ATOM 474 CA GLU A 573 10.664 -31.238 6.639 1.00 2.52 C ATOM 475 C GLU A 573 10.117 -30.722 5.306 1.00 5.05 C ATOM 476 O GLU A 573 10.053 -31.465 4.329 1.00 71.53 O ATOM 477 CB GLU A 573 10.575 -32.763 6.715 1.00 2.00 C ATOM 478 CG GLU A 573 9.150 -33.244 6.437 1.00 55.42 C ATOM 479 CD GLU A 573 9.131 -34.734 6.093 1.00 71.35 C ATOM 480 OE1 GLU A 573 8.779 -35.563 6.945 1.00 31.11 O ATOM 481 OE2 GLU A 573 9.498 -35.021 4.889 1.00 10.45 O ATOM 0 H GLU A 573 10.554 -30.308 8.513 1.00 12.15 H new ATOM 0 HA GLU A 573 11.717 -30.965 6.707 1.00 2.52 H new ATOM 0 HB2 GLU A 573 11.260 -33.207 5.993 1.00 2.00 H new ATOM 0 HB3 GLU A 573 10.890 -33.100 7.702 1.00 2.00 H new ATOM 0 HG2 GLU A 573 8.524 -33.061 7.310 1.00 55.42 H new ATOM 0 HG3 GLU A 573 8.723 -32.672 5.613 1.00 55.42 H new ATOM 489 N GLY A 574 9.738 -29.453 5.310 1.00 12.44 N ATOM 490 CA GLY A 574 9.199 -28.829 4.114 1.00 73.02 C ATOM 491 C GLY A 574 8.169 -29.737 3.438 1.00 21.35 C ATOM 492 O GLY A 574 8.178 -29.892 2.218 1.00 11.42 O ATOM 0 H GLY A 574 9.794 -28.839 6.123 1.00 12.44 H new ATOM 0 HA2 GLY A 574 8.735 -27.877 4.374 1.00 73.02 H new ATOM 0 HA3 GLY A 574 10.008 -28.610 3.418 1.00 73.02 H new ATOM 496 N THR A 575 7.307 -30.315 4.262 1.00 55.23 N ATOM 497 CA THR A 575 6.273 -31.204 3.759 1.00 13.33 C ATOM 498 C THR A 575 4.898 -30.543 3.877 1.00 32.15 C ATOM 499 O THR A 575 4.128 -30.527 2.918 1.00 22.11 O ATOM 500 CB THR A 575 6.378 -32.528 4.518 1.00 11.03 C ATOM 501 OG1 THR A 575 7.408 -33.238 3.836 1.00 21.04 O ATOM 502 CG2 THR A 575 5.138 -33.406 4.338 1.00 20.22 C ATOM 0 H THR A 575 7.303 -30.185 5.274 1.00 55.23 H new ATOM 0 HA THR A 575 6.410 -31.410 2.697 1.00 13.33 H new ATOM 0 HB THR A 575 6.530 -32.327 5.579 1.00 11.03 H new ATOM 0 HG1 THR A 575 7.334 -34.194 4.036 1.00 21.04 H new ATOM 0 HG21 THR A 575 5.264 -34.333 4.897 1.00 20.22 H new ATOM 0 HG22 THR A 575 4.260 -32.876 4.708 1.00 20.22 H new ATOM 0 HG23 THR A 575 5.005 -33.635 3.281 1.00 20.22 H new ATOM 510 N HIS A 576 4.631 -30.014 5.062 1.00 31.15 N ATOM 511 CA HIS A 576 3.362 -29.354 5.319 1.00 42.33 C ATOM 512 C HIS A 576 3.505 -28.416 6.519 1.00 0.20 C ATOM 513 O HIS A 576 4.088 -28.788 7.536 1.00 11.23 O ATOM 514 CB HIS A 576 2.242 -30.380 5.498 1.00 21.33 C ATOM 515 CG HIS A 576 1.681 -30.911 4.200 1.00 0.54 C ATOM 516 ND1 HIS A 576 1.517 -32.262 3.951 1.00 3.00 N ATOM 517 CD2 HIS A 576 1.247 -30.258 3.084 1.00 1.43 C ATOM 518 CE1 HIS A 576 1.008 -32.404 2.736 1.00 21.42 C ATOM 519 NE2 HIS A 576 0.842 -31.161 2.200 1.00 31.15 N ATOM 0 H HIS A 576 5.272 -30.029 5.855 1.00 31.15 H new ATOM 0 HA HIS A 576 3.084 -28.746 4.458 1.00 42.33 H new ATOM 0 HB2 HIS A 576 2.620 -31.216 6.087 1.00 21.33 H new ATOM 0 HB3 HIS A 576 1.435 -29.925 6.071 1.00 21.33 H new ATOM 0 HD2 HIS A 576 1.235 -29.187 2.944 1.00 1.43 H new ATOM 0 HE1 HIS A 576 0.767 -33.340 2.254 1.00 21.42 H new ATOM 0 HE2 HIS A 576 0.468 -30.959 1.273 1.00 31.15 H new ATOM 527 N HIS A 577 2.963 -27.217 6.361 1.00 73.44 N ATOM 528 CA HIS A 577 3.022 -26.223 7.419 1.00 63.15 C ATOM 529 C HIS A 577 2.234 -26.718 8.633 1.00 25.31 C ATOM 530 O HIS A 577 1.063 -27.074 8.515 1.00 61.53 O ATOM 531 CB HIS A 577 2.539 -24.862 6.913 1.00 62.40 C ATOM 532 CG HIS A 577 3.037 -24.508 5.532 1.00 70.31 C ATOM 533 ND1 HIS A 577 4.035 -23.575 5.311 1.00 22.52 N ATOM 534 CD2 HIS A 577 2.665 -24.972 4.304 1.00 12.13 C ATOM 535 CE1 HIS A 577 4.246 -23.489 4.006 1.00 55.10 C ATOM 536 NE2 HIS A 577 3.395 -24.355 3.384 1.00 51.33 N ATOM 0 H HIS A 577 2.481 -26.912 5.516 1.00 73.44 H new ATOM 0 HA HIS A 577 4.056 -26.083 7.734 1.00 63.15 H new ATOM 0 HB2 HIS A 577 1.449 -24.854 6.908 1.00 62.40 H new ATOM 0 HB3 HIS A 577 2.861 -24.091 7.613 1.00 62.40 H new ATOM 0 HD1 HIS A 577 4.525 -23.044 6.031 1.00 22.52 H new ATOM 0 HD2 HIS A 577 1.905 -25.715 4.113 1.00 12.13 H new ATOM 0 HE1 HIS A 577 4.965 -22.846 3.520 1.00 55.10 H new ATOM 544 N VAL A 578 2.909 -26.725 9.773 1.00 3.12 N ATOM 545 CA VAL A 578 2.287 -27.170 11.008 1.00 22.55 C ATOM 546 C VAL A 578 2.526 -26.126 12.101 1.00 45.15 C ATOM 547 O VAL A 578 3.666 -25.738 12.355 1.00 53.04 O ATOM 548 CB VAL A 578 2.808 -28.559 11.385 1.00 35.12 C ATOM 549 CG1 VAL A 578 2.511 -29.574 10.280 1.00 71.24 C ATOM 550 CG2 VAL A 578 4.303 -28.516 11.704 1.00 64.35 C ATOM 0 H VAL A 578 3.881 -26.430 9.867 1.00 3.12 H new ATOM 0 HA VAL A 578 1.209 -27.265 10.879 1.00 22.55 H new ATOM 0 HB VAL A 578 2.284 -28.881 12.285 1.00 35.12 H new ATOM 0 HG11 VAL A 578 2.891 -30.553 10.573 1.00 71.24 H new ATOM 0 HG12 VAL A 578 1.434 -29.636 10.122 1.00 71.24 H new ATOM 0 HG13 VAL A 578 2.995 -29.258 9.356 1.00 71.24 H new ATOM 0 HG21 VAL A 578 4.647 -29.516 11.969 1.00 64.35 H new ATOM 0 HG22 VAL A 578 4.851 -28.163 10.831 1.00 64.35 H new ATOM 0 HG23 VAL A 578 4.477 -27.839 12.540 1.00 64.35 H new ATOM 560 N ASN A 579 1.434 -25.700 12.717 1.00 32.33 N ATOM 561 CA ASN A 579 1.510 -24.708 13.776 1.00 24.32 C ATOM 562 C ASN A 579 1.613 -25.418 15.128 1.00 70.13 C ATOM 563 O ASN A 579 0.734 -26.197 15.492 1.00 74.20 O ATOM 564 CB ASN A 579 0.259 -23.828 13.798 1.00 21.31 C ATOM 565 CG ASN A 579 0.173 -23.030 15.100 1.00 0.23 C ATOM 566 OD1 ASN A 579 -0.894 -22.777 15.634 1.00 14.05 O ATOM 567 ND2 ASN A 579 1.353 -22.648 15.580 1.00 43.03 N ATOM 0 H ASN A 579 0.491 -26.024 12.503 1.00 32.33 H new ATOM 0 HA ASN A 579 2.385 -24.085 13.592 1.00 24.32 H new ATOM 0 HB2 ASN A 579 0.276 -23.145 12.949 1.00 21.31 H new ATOM 0 HB3 ASN A 579 -0.629 -24.450 13.689 1.00 21.31 H new ATOM 0 HD21 ASN A 579 1.402 -22.110 16.445 1.00 43.03 H new ATOM 0 HD22 ASN A 579 2.209 -22.893 15.083 1.00 43.03 H new ATOM 574 N VAL A 580 2.694 -25.123 15.834 1.00 23.33 N ATOM 575 CA VAL A 580 2.923 -25.724 17.138 1.00 42.44 C ATOM 576 C VAL A 580 2.408 -24.780 18.226 1.00 5.04 C ATOM 577 O VAL A 580 2.606 -23.568 18.147 1.00 74.51 O ATOM 578 CB VAL A 580 4.404 -26.073 17.300 1.00 10.21 C ATOM 579 CG1 VAL A 580 4.613 -27.047 18.461 1.00 63.32 C ATOM 580 CG2 VAL A 580 4.980 -26.637 16.000 1.00 42.42 C ATOM 0 H VAL A 580 3.421 -24.476 15.529 1.00 23.33 H new ATOM 0 HA VAL A 580 2.371 -26.659 17.231 1.00 42.44 H new ATOM 0 HB VAL A 580 4.942 -25.154 17.533 1.00 10.21 H new ATOM 0 HG11 VAL A 580 5.674 -27.279 18.555 1.00 63.32 H new ATOM 0 HG12 VAL A 580 4.258 -26.592 19.386 1.00 63.32 H new ATOM 0 HG13 VAL A 580 4.056 -27.965 18.271 1.00 63.32 H new ATOM 0 HG21 VAL A 580 6.034 -26.877 16.143 1.00 42.42 H new ATOM 0 HG22 VAL A 580 4.437 -27.540 15.723 1.00 42.42 H new ATOM 0 HG23 VAL A 580 4.881 -25.896 15.207 1.00 42.42 H new ATOM 590 N ASN A 581 1.759 -25.371 19.218 1.00 32.13 N ATOM 591 CA ASN A 581 1.214 -24.598 20.322 1.00 62.32 C ATOM 592 C ASN A 581 0.384 -25.516 21.221 1.00 74.43 C ATOM 593 O ASN A 581 -0.465 -26.263 20.736 1.00 33.03 O ATOM 594 CB ASN A 581 0.301 -23.481 19.814 1.00 74.22 C ATOM 595 CG ASN A 581 -0.388 -22.764 20.977 1.00 23.31 C ATOM 596 OD1 ASN A 581 -1.572 -22.922 21.224 1.00 30.31 O ATOM 597 ND2 ASN A 581 0.418 -21.969 21.675 1.00 31.45 N ATOM 0 H ASN A 581 1.598 -26.376 19.281 1.00 32.13 H new ATOM 0 HA ASN A 581 2.048 -24.160 20.871 1.00 62.32 H new ATOM 0 HB2 ASN A 581 0.884 -22.765 19.235 1.00 74.22 H new ATOM 0 HB3 ASN A 581 -0.450 -23.897 19.143 1.00 74.22 H new ATOM 0 HD21 ASN A 581 0.054 -21.446 22.471 1.00 31.45 H new ATOM 0 HD22 ASN A 581 1.400 -21.882 21.414 1.00 31.45 H new ATOM 604 N PRO A 582 0.665 -25.429 22.548 1.00 12.54 N ATOM 605 CA PRO A 582 -0.047 -26.242 23.519 1.00 24.35 C ATOM 606 C PRO A 582 -1.463 -25.710 23.749 1.00 44.12 C ATOM 607 O PRO A 582 -2.355 -26.459 24.145 1.00 45.42 O ATOM 608 CB PRO A 582 0.813 -26.202 24.772 1.00 4.31 C ATOM 609 CG PRO A 582 1.729 -24.999 24.610 1.00 32.05 C ATOM 610 CD PRO A 582 1.664 -24.556 23.158 1.00 14.51 C ATOM 0 HA PRO A 582 -0.190 -27.269 23.182 1.00 24.35 H new ATOM 0 HB2 PRO A 582 0.197 -26.106 25.666 1.00 4.31 H new ATOM 0 HB3 PRO A 582 1.390 -27.121 24.879 1.00 4.31 H new ATOM 0 HG2 PRO A 582 1.417 -24.190 25.270 1.00 32.05 H new ATOM 0 HG3 PRO A 582 2.752 -25.258 24.885 1.00 32.05 H new ATOM 0 HD2 PRO A 582 1.376 -23.508 23.076 1.00 14.51 H new ATOM 0 HD3 PRO A 582 2.632 -24.660 22.669 1.00 14.51 H new ATOM 618 N ASN A 583 -1.625 -24.421 23.490 1.00 42.31 N ATOM 619 CA ASN A 583 -2.917 -23.779 23.663 1.00 72.51 C ATOM 620 C ASN A 583 -3.792 -24.068 22.442 1.00 75.23 C ATOM 621 O ASN A 583 -4.945 -23.643 22.385 1.00 34.35 O ATOM 622 CB ASN A 583 -2.767 -22.262 23.789 1.00 63.23 C ATOM 623 CG ASN A 583 -1.403 -21.893 24.375 1.00 24.22 C ATOM 624 OD1 ASN A 583 -0.873 -22.560 25.249 1.00 44.12 O ATOM 625 ND2 ASN A 583 -0.866 -20.797 23.848 1.00 42.42 N ATOM 0 H ASN A 583 -0.883 -23.803 23.161 1.00 42.31 H new ATOM 0 HA ASN A 583 -3.370 -24.173 24.573 1.00 72.51 H new ATOM 0 HB2 ASN A 583 -2.883 -21.799 22.809 1.00 63.23 H new ATOM 0 HB3 ASN A 583 -3.559 -21.866 24.425 1.00 63.23 H new ATOM 0 HD21 ASN A 583 0.043 -20.468 24.173 1.00 42.42 H new ATOM 0 HD22 ASN A 583 -1.363 -20.285 23.119 1.00 42.42 H new ATOM 632 N PHE A 584 -3.211 -24.789 21.494 1.00 51.42 N ATOM 633 CA PHE A 584 -3.924 -25.139 20.277 1.00 43.00 C ATOM 634 C PHE A 584 -4.930 -26.263 20.535 1.00 44.21 C ATOM 635 O PHE A 584 -5.973 -26.328 19.887 1.00 42.35 O ATOM 636 CB PHE A 584 -2.879 -25.627 19.271 1.00 2.35 C ATOM 637 CG PHE A 584 -3.218 -25.302 17.815 1.00 23.11 C ATOM 638 CD1 PHE A 584 -3.191 -24.013 17.382 1.00 64.44 C ATOM 639 CD2 PHE A 584 -3.546 -26.302 16.954 1.00 21.52 C ATOM 640 CE1 PHE A 584 -3.505 -23.712 16.030 1.00 61.20 C ATOM 641 CE2 PHE A 584 -3.860 -26.001 15.603 1.00 73.34 C ATOM 642 CZ PHE A 584 -3.833 -24.713 15.169 1.00 12.50 C ATOM 0 H PHE A 584 -2.255 -25.140 21.544 1.00 51.42 H new ATOM 0 HA PHE A 584 -4.473 -24.274 19.906 1.00 43.00 H new ATOM 0 HB2 PHE A 584 -1.916 -25.180 19.518 1.00 2.35 H new ATOM 0 HB3 PHE A 584 -2.766 -26.706 19.375 1.00 2.35 H new ATOM 0 HD1 PHE A 584 -2.931 -23.219 18.066 1.00 64.44 H new ATOM 0 HD2 PHE A 584 -3.568 -27.325 17.298 1.00 21.52 H new ATOM 0 HE1 PHE A 584 -3.483 -22.689 15.685 1.00 61.20 H new ATOM 0 HE2 PHE A 584 -4.120 -26.796 14.919 1.00 73.34 H new ATOM 0 HZ PHE A 584 -4.072 -24.484 14.141 1.00 12.50 H new ATOM 652 N SER A 585 -4.581 -27.120 21.483 1.00 44.10 N ATOM 653 CA SER A 585 -5.440 -28.238 21.835 1.00 42.44 C ATOM 654 C SER A 585 -6.810 -27.724 22.283 1.00 44.03 C ATOM 655 O SER A 585 -7.812 -28.425 22.154 1.00 51.02 O ATOM 656 CB SER A 585 -4.808 -29.093 22.934 1.00 31.33 C ATOM 657 OG SER A 585 -3.816 -29.977 22.419 1.00 31.33 O ATOM 0 H SER A 585 -3.715 -27.063 22.018 1.00 44.10 H new ATOM 0 HA SER A 585 -5.565 -28.865 20.952 1.00 42.44 H new ATOM 0 HB2 SER A 585 -4.360 -28.443 23.686 1.00 31.33 H new ATOM 0 HB3 SER A 585 -5.584 -29.672 23.435 1.00 31.33 H new ATOM 0 HG SER A 585 -3.435 -30.504 23.152 1.00 31.33 H new ATOM 663 N ASN A 586 -6.808 -26.504 22.800 1.00 73.22 N ATOM 664 CA ASN A 586 -8.038 -25.888 23.268 1.00 74.42 C ATOM 665 C ASN A 586 -8.723 -25.176 22.100 1.00 54.12 C ATOM 666 O ASN A 586 -9.893 -24.807 22.193 1.00 1.52 O ATOM 667 CB ASN A 586 -7.755 -24.850 24.355 1.00 55.42 C ATOM 668 CG ASN A 586 -7.715 -25.501 25.739 1.00 72.04 C ATOM 669 OD1 ASN A 586 -8.346 -25.054 26.682 1.00 32.13 O ATOM 670 ND2 ASN A 586 -6.940 -26.579 25.806 1.00 21.54 N ATOM 0 H ASN A 586 -5.974 -25.926 22.905 1.00 73.22 H new ATOM 0 HA ASN A 586 -8.674 -26.673 23.677 1.00 74.42 H new ATOM 0 HB2 ASN A 586 -6.804 -24.357 24.153 1.00 55.42 H new ATOM 0 HB3 ASN A 586 -8.524 -24.078 24.335 1.00 55.42 H new ATOM 0 HD21 ASN A 586 -6.846 -27.086 26.686 1.00 21.54 H new ATOM 0 HD22 ASN A 586 -6.439 -26.899 24.977 1.00 21.54 H new ATOM 677 N TYR A 587 -7.966 -25.004 21.027 1.00 63.34 N ATOM 678 CA TYR A 587 -8.485 -24.343 19.842 1.00 50.32 C ATOM 679 C TYR A 587 -8.997 -25.364 18.824 1.00 43.45 C ATOM 680 O TYR A 587 -9.357 -25.002 17.704 1.00 33.44 O ATOM 681 CB TYR A 587 -7.306 -23.580 19.234 1.00 71.54 C ATOM 682 CG TYR A 587 -7.151 -22.152 19.759 1.00 54.24 C ATOM 683 CD1 TYR A 587 -8.252 -21.323 19.839 1.00 72.11 C ATOM 684 CD2 TYR A 587 -5.911 -21.692 20.152 1.00 12.30 C ATOM 685 CE1 TYR A 587 -8.107 -19.978 20.333 1.00 23.41 C ATOM 686 CE2 TYR A 587 -5.766 -20.347 20.646 1.00 3.02 C ATOM 687 CZ TYR A 587 -6.871 -19.557 20.712 1.00 4.34 C ATOM 688 OH TYR A 587 -6.733 -18.287 21.179 1.00 11.22 O ATOM 0 H TYR A 587 -6.996 -25.311 20.953 1.00 63.34 H new ATOM 0 HA TYR A 587 -9.317 -23.688 20.101 1.00 50.32 H new ATOM 0 HB2 TYR A 587 -6.387 -24.131 19.435 1.00 71.54 H new ATOM 0 HB3 TYR A 587 -7.428 -23.547 18.151 1.00 71.54 H new ATOM 0 HD1 TYR A 587 -9.222 -21.683 19.531 1.00 72.11 H new ATOM 0 HD2 TYR A 587 -5.049 -22.340 20.089 1.00 12.30 H new ATOM 0 HE1 TYR A 587 -8.960 -19.319 20.401 1.00 23.41 H new ATOM 0 HE2 TYR A 587 -4.801 -19.974 20.957 1.00 3.02 H new ATOM 0 HH TYR A 587 -6.724 -17.661 20.425 1.00 11.22 H new ATOM 698 N TYR A 588 -9.012 -26.619 19.248 1.00 11.41 N ATOM 699 CA TYR A 588 -9.474 -27.694 18.387 1.00 24.33 C ATOM 700 C TYR A 588 -9.677 -28.985 19.183 1.00 25.15 C ATOM 701 O TYR A 588 -9.105 -29.151 20.260 1.00 13.21 O ATOM 702 CB TYR A 588 -8.365 -27.914 17.356 1.00 30.30 C ATOM 703 CG TYR A 588 -7.226 -28.809 17.848 1.00 31.42 C ATOM 704 CD1 TYR A 588 -7.451 -30.153 18.070 1.00 1.03 C ATOM 705 CD2 TYR A 588 -5.974 -28.274 18.070 1.00 2.52 C ATOM 706 CE1 TYR A 588 -6.379 -30.996 18.533 1.00 1.55 C ATOM 707 CE2 TYR A 588 -4.902 -29.116 18.533 1.00 22.04 C ATOM 708 CZ TYR A 588 -5.157 -30.435 18.742 1.00 33.51 C ATOM 709 OH TYR A 588 -4.145 -31.231 19.180 1.00 61.24 O ATOM 0 H TYR A 588 -8.712 -26.915 20.177 1.00 11.41 H new ATOM 0 HA TYR A 588 -10.428 -27.435 17.927 1.00 24.33 H new ATOM 0 HB2 TYR A 588 -8.799 -28.356 16.459 1.00 30.30 H new ATOM 0 HB3 TYR A 588 -7.954 -26.946 17.067 1.00 30.30 H new ATOM 0 HD1 TYR A 588 -8.431 -30.572 17.896 1.00 1.03 H new ATOM 0 HD2 TYR A 588 -5.798 -27.223 17.896 1.00 2.52 H new ATOM 0 HE1 TYR A 588 -6.541 -32.049 18.710 1.00 1.55 H new ATOM 0 HE2 TYR A 588 -3.917 -28.709 18.710 1.00 22.04 H new ATOM 0 HH TYR A 588 -3.330 -30.697 19.284 1.00 61.24 H new ATOM 719 N ASN A 589 -10.492 -29.866 18.623 1.00 22.30 N ATOM 720 CA ASN A 589 -10.777 -31.137 19.267 1.00 32.13 C ATOM 721 C ASN A 589 -10.647 -32.265 18.241 1.00 11.43 C ATOM 722 O ASN A 589 -11.296 -32.236 17.197 1.00 72.31 O ATOM 723 CB ASN A 589 -12.203 -31.165 19.822 1.00 25.35 C ATOM 724 CG ASN A 589 -12.377 -30.131 20.937 1.00 75.53 C ATOM 725 OD1 ASN A 589 -12.328 -30.438 22.117 1.00 50.14 O ATOM 726 ND2 ASN A 589 -12.584 -28.893 20.498 1.00 33.10 N ATOM 0 H ASN A 589 -10.964 -29.725 17.730 1.00 22.30 H new ATOM 0 HA ASN A 589 -10.068 -31.267 20.085 1.00 32.13 H new ATOM 0 HB2 ASN A 589 -12.913 -30.964 19.020 1.00 25.35 H new ATOM 0 HB3 ASN A 589 -12.429 -32.160 20.205 1.00 25.35 H new ATOM 0 HD21 ASN A 589 -12.713 -28.131 21.163 1.00 33.10 H new ATOM 0 HD22 ASN A 589 -12.613 -28.705 19.496 1.00 33.10 H new ATOM 733 N VAL A 590 -9.804 -33.231 18.575 1.00 41.42 N ATOM 734 CA VAL A 590 -9.580 -34.366 17.695 1.00 13.45 C ATOM 735 C VAL A 590 -10.806 -35.280 17.729 1.00 74.23 C ATOM 736 O VAL A 590 -11.500 -35.358 18.742 1.00 64.52 O ATOM 737 CB VAL A 590 -8.288 -35.084 18.087 1.00 65.20 C ATOM 738 CG1 VAL A 590 -8.197 -36.455 17.414 1.00 61.12 C ATOM 739 CG2 VAL A 590 -7.063 -34.229 17.756 1.00 0.21 C ATOM 0 H VAL A 590 -9.268 -33.251 19.443 1.00 41.42 H new ATOM 0 HA VAL A 590 -9.451 -34.033 16.665 1.00 13.45 H new ATOM 0 HB VAL A 590 -8.306 -35.240 19.166 1.00 65.20 H new ATOM 0 HG11 VAL A 590 -7.269 -36.944 17.709 1.00 61.12 H new ATOM 0 HG12 VAL A 590 -9.044 -37.068 17.721 1.00 61.12 H new ATOM 0 HG13 VAL A 590 -8.213 -36.331 16.331 1.00 61.12 H new ATOM 0 HG21 VAL A 590 -6.158 -34.763 18.045 1.00 0.21 H new ATOM 0 HG22 VAL A 590 -7.039 -34.027 16.685 1.00 0.21 H new ATOM 0 HG23 VAL A 590 -7.118 -33.287 18.302 1.00 0.21 H new ATOM 749 N SER A 591 -11.036 -35.949 16.608 1.00 35.25 N ATOM 750 CA SER A 591 -12.167 -36.855 16.497 1.00 62.34 C ATOM 751 C SER A 591 -12.050 -37.969 17.539 1.00 1.13 C ATOM 752 O SER A 591 -11.049 -38.058 18.248 1.00 4.12 O ATOM 753 CB SER A 591 -12.257 -37.452 15.091 1.00 53.03 C ATOM 754 OG SER A 591 -13.567 -37.932 14.798 1.00 64.41 O ATOM 0 H SER A 591 -10.459 -35.882 15.770 1.00 35.25 H new ATOM 0 HA SER A 591 -13.079 -36.288 16.682 1.00 62.34 H new ATOM 0 HB2 SER A 591 -11.975 -36.697 14.358 1.00 53.03 H new ATOM 0 HB3 SER A 591 -11.542 -38.269 14.998 1.00 53.03 H new ATOM 0 HG SER A 591 -13.584 -38.304 13.891 1.00 64.41 H new ATOM 966 N TRP A 604 7.423 -38.839 10.592 1.00 71.30 N ATOM 967 CA TRP A 604 6.501 -38.571 11.682 1.00 13.52 C ATOM 968 C TRP A 604 5.348 -39.572 11.584 1.00 10.12 C ATOM 969 O TRP A 604 5.275 -40.349 10.634 1.00 42.05 O ATOM 970 CB TRP A 604 6.031 -37.115 11.657 1.00 5.41 C ATOM 971 CG TRP A 604 5.249 -36.735 10.398 1.00 10.54 C ATOM 972 CD1 TRP A 604 5.016 -37.486 9.313 1.00 5.43 C ATOM 973 CD2 TRP A 604 4.601 -35.472 10.137 1.00 1.44 C ATOM 974 NE1 TRP A 604 4.269 -36.802 8.376 1.00 63.04 N ATOM 975 CE2 TRP A 604 4.009 -35.538 8.893 1.00 74.41 C ATOM 976 CE3 TRP A 604 4.518 -34.311 10.927 1.00 62.21 C ATOM 977 CZ2 TRP A 604 3.292 -34.477 8.327 1.00 32.31 C ATOM 978 CZ3 TRP A 604 3.798 -33.260 10.347 1.00 4.52 C ATOM 979 CH2 TRP A 604 3.196 -33.311 9.096 1.00 42.05 C ATOM 0 HA TRP A 604 6.995 -38.702 12.645 1.00 13.52 H new ATOM 0 HB2 TRP A 604 5.405 -36.931 12.530 1.00 5.41 H new ATOM 0 HB3 TRP A 604 6.899 -36.462 11.744 1.00 5.41 H new ATOM 0 HD1 TRP A 604 5.369 -38.499 9.188 1.00 5.43 H new ATOM 0 HE1 TRP A 604 3.964 -37.158 7.470 1.00 63.04 H new ATOM 0 HE3 TRP A 604 4.974 -34.236 11.903 1.00 62.21 H new ATOM 0 HZ2 TRP A 604 2.838 -34.554 7.350 1.00 32.31 H new ATOM 0 HZ3 TRP A 604 3.704 -32.344 10.912 1.00 4.52 H new ATOM 0 HH2 TRP A 604 2.656 -32.455 8.718 1.00 42.05 H new ATOM 990 N LYS A 605 4.476 -39.521 12.580 1.00 13.21 N ATOM 991 CA LYS A 605 3.330 -40.414 12.618 1.00 10.31 C ATOM 992 C LYS A 605 2.049 -39.601 12.419 1.00 71.33 C ATOM 993 O LYS A 605 2.010 -38.411 12.727 1.00 60.13 O ATOM 994 CB LYS A 605 3.339 -41.242 13.904 1.00 31.23 C ATOM 995 CG LYS A 605 3.173 -40.347 15.134 1.00 24.22 C ATOM 996 CD LYS A 605 2.862 -41.179 16.380 1.00 62.31 C ATOM 997 CE LYS A 605 1.353 -41.356 16.558 1.00 11.13 C ATOM 998 NZ LYS A 605 0.660 -40.054 16.434 1.00 45.31 N ATOM 0 H LYS A 605 4.540 -38.875 13.367 1.00 13.21 H new ATOM 0 HA LYS A 605 3.381 -41.135 11.802 1.00 10.31 H new ATOM 0 HB2 LYS A 605 2.534 -41.977 13.873 1.00 31.23 H new ATOM 0 HB3 LYS A 605 4.274 -41.797 13.977 1.00 31.23 H new ATOM 0 HG2 LYS A 605 4.085 -39.771 15.295 1.00 24.22 H new ATOM 0 HG3 LYS A 605 2.370 -39.631 14.961 1.00 24.22 H new ATOM 0 HD2 LYS A 605 3.339 -42.156 16.298 1.00 62.31 H new ATOM 0 HD3 LYS A 605 3.281 -40.692 17.261 1.00 62.31 H new ATOM 0 HE2 LYS A 605 0.972 -42.050 15.809 1.00 11.13 H new ATOM 0 HE3 LYS A 605 1.145 -41.794 17.534 1.00 11.13 H new ATOM 0 HZ1 LYS A 605 -0.369 -40.203 16.473 1.00 45.31 H new ATOM 0 HZ2 LYS A 605 0.949 -39.431 17.215 1.00 45.31 H new ATOM 0 HZ3 LYS A 605 0.912 -39.612 15.527 1.00 45.31 H new ATOM 1011 N PRO A 606 1.005 -40.295 11.891 1.00 51.21 N ATOM 1012 CA PRO A 606 -0.274 -39.651 11.647 1.00 54.32 C ATOM 1013 C PRO A 606 -1.037 -39.431 12.955 1.00 24.53 C ATOM 1014 O PRO A 606 -1.017 -40.286 13.840 1.00 73.03 O ATOM 1015 CB PRO A 606 -1.002 -40.574 10.683 1.00 11.30 C ATOM 1016 CG PRO A 606 -0.303 -41.919 10.786 1.00 25.32 C ATOM 1017 CD PRO A 606 1.015 -41.705 11.514 1.00 35.30 C ATOM 0 HA PRO A 606 -0.167 -38.654 11.220 1.00 54.32 H new ATOM 0 HB2 PRO A 606 -2.056 -40.661 10.946 1.00 11.30 H new ATOM 0 HB3 PRO A 606 -0.958 -40.188 9.665 1.00 11.30 H new ATOM 0 HG2 PRO A 606 -0.926 -42.632 11.326 1.00 25.32 H new ATOM 0 HG3 PRO A 606 -0.128 -42.335 9.794 1.00 25.32 H new ATOM 0 HD2 PRO A 606 1.093 -42.349 12.390 1.00 35.30 H new ATOM 0 HD3 PRO A 606 1.864 -41.937 10.872 1.00 35.30 H new ATOM 1025 N GLY A 607 -1.690 -38.282 13.037 1.00 41.32 N ATOM 1026 CA GLY A 607 -2.457 -37.939 14.222 1.00 32.33 C ATOM 1027 C GLY A 607 -3.949 -38.203 14.005 1.00 43.30 C ATOM 1028 O GLY A 607 -4.338 -39.302 13.613 1.00 10.33 O ATOM 0 H GLY A 607 -1.704 -37.576 12.301 1.00 41.32 H new ATOM 0 HA2 GLY A 607 -2.101 -38.522 15.071 1.00 32.33 H new ATOM 0 HA3 GLY A 607 -2.302 -36.889 14.469 1.00 32.33 H new ATOM 1032 N GLY A 608 -4.743 -37.175 14.269 1.00 61.52 N ATOM 1033 CA GLY A 608 -6.183 -37.282 14.107 1.00 20.00 C ATOM 1034 C GLY A 608 -6.767 -35.991 13.529 1.00 62.31 C ATOM 1035 O GLY A 608 -6.171 -34.923 13.660 1.00 70.11 O ATOM 0 H GLY A 608 -4.416 -36.265 14.594 1.00 61.52 H new ATOM 0 HA2 GLY A 608 -6.417 -38.118 13.448 1.00 20.00 H new ATOM 0 HA3 GLY A 608 -6.646 -37.496 15.070 1.00 20.00 H new ATOM 1039 N VAL A 609 -7.925 -36.132 12.902 1.00 73.52 N ATOM 1040 CA VAL A 609 -8.596 -34.991 12.303 1.00 12.02 C ATOM 1041 C VAL A 609 -8.765 -33.894 13.357 1.00 72.34 C ATOM 1042 O VAL A 609 -9.173 -34.169 14.484 1.00 25.12 O ATOM 1043 CB VAL A 609 -9.923 -35.431 11.680 1.00 24.13 C ATOM 1044 CG1 VAL A 609 -10.510 -34.324 10.803 1.00 14.01 C ATOM 1045 CG2 VAL A 609 -9.752 -36.728 10.886 1.00 3.40 C ATOM 0 H VAL A 609 -8.416 -37.020 12.796 1.00 73.52 H new ATOM 0 HA VAL A 609 -7.995 -34.576 11.494 1.00 12.02 H new ATOM 0 HB VAL A 609 -10.626 -35.625 12.490 1.00 24.13 H new ATOM 0 HG11 VAL A 609 -11.452 -34.662 10.372 1.00 14.01 H new ATOM 0 HG12 VAL A 609 -10.686 -33.435 11.409 1.00 14.01 H new ATOM 0 HG13 VAL A 609 -9.810 -34.085 10.002 1.00 14.01 H new ATOM 0 HG21 VAL A 609 -10.709 -37.019 10.454 1.00 3.40 H new ATOM 0 HG22 VAL A 609 -9.026 -36.573 10.088 1.00 3.40 H new ATOM 0 HG23 VAL A 609 -9.399 -37.517 11.550 1.00 3.40 H new ATOM 1055 N ILE A 610 -8.444 -32.674 12.951 1.00 22.54 N ATOM 1056 CA ILE A 610 -8.555 -31.535 13.846 1.00 21.13 C ATOM 1057 C ILE A 610 -9.705 -30.638 13.383 1.00 63.42 C ATOM 1058 O ILE A 610 -9.934 -30.487 12.184 1.00 72.12 O ATOM 1059 CB ILE A 610 -7.214 -30.807 13.956 1.00 25.54 C ATOM 1060 CG1 ILE A 610 -6.046 -31.777 13.759 1.00 12.21 C ATOM 1061 CG2 ILE A 610 -7.110 -30.047 15.280 1.00 45.21 C ATOM 1062 CD1 ILE A 610 -4.735 -31.163 14.253 1.00 24.34 C ATOM 0 H ILE A 610 -8.107 -32.450 12.015 1.00 22.54 H new ATOM 0 HA ILE A 610 -8.795 -31.867 14.856 1.00 21.13 H new ATOM 0 HB ILE A 610 -7.159 -30.069 13.156 1.00 25.54 H new ATOM 0 HG12 ILE A 610 -6.243 -32.704 14.298 1.00 12.21 H new ATOM 0 HG13 ILE A 610 -5.956 -32.034 12.704 1.00 12.21 H new ATOM 0 HG21 ILE A 610 -6.147 -29.538 15.333 1.00 45.21 H new ATOM 0 HG22 ILE A 610 -7.913 -29.312 15.342 1.00 45.21 H new ATOM 0 HG23 ILE A 610 -7.196 -30.748 16.110 1.00 45.21 H new ATOM 0 HD11 ILE A 610 -3.921 -31.872 14.102 1.00 24.34 H new ATOM 0 HD12 ILE A 610 -4.528 -30.249 13.696 1.00 24.34 H new ATOM 0 HD13 ILE A 610 -4.820 -30.929 15.314 1.00 24.34 H new ATOM 1074 N SER A 611 -10.397 -30.067 14.357 1.00 30.13 N ATOM 1075 CA SER A 611 -11.517 -29.189 14.064 1.00 34.33 C ATOM 1076 C SER A 611 -11.479 -27.967 14.983 1.00 3.25 C ATOM 1077 O SER A 611 -11.552 -28.101 16.204 1.00 3.20 O ATOM 1078 CB SER A 611 -12.849 -29.927 14.217 1.00 12.53 C ATOM 1079 OG SER A 611 -12.703 -31.334 14.049 1.00 62.02 O ATOM 0 H SER A 611 -10.204 -30.195 15.350 1.00 30.13 H new ATOM 0 HA SER A 611 -11.431 -28.859 13.029 1.00 34.33 H new ATOM 0 HB2 SER A 611 -13.266 -29.721 15.203 1.00 12.53 H new ATOM 0 HB3 SER A 611 -13.560 -29.546 13.484 1.00 12.53 H new ATOM 0 HG SER A 611 -13.575 -31.768 14.156 1.00 62.02 H new ATOM 1085 N CYS A 612 -11.364 -26.802 14.362 1.00 61.41 N ATOM 1086 CA CYS A 612 -11.315 -25.557 15.109 1.00 64.01 C ATOM 1087 C CYS A 612 -12.450 -25.567 16.135 1.00 45.02 C ATOM 1088 O CYS A 612 -13.621 -25.646 15.769 1.00 72.21 O ATOM 1089 CB CYS A 612 -11.391 -24.340 14.185 1.00 51.11 C ATOM 1090 SG CYS A 612 -11.182 -22.726 15.022 1.00 25.33 S ATOM 0 H CYS A 612 -11.303 -26.694 13.350 1.00 61.41 H new ATOM 0 HA CYS A 612 -10.359 -25.478 15.627 1.00 64.01 H new ATOM 0 HB2 CYS A 612 -10.624 -24.437 13.416 1.00 51.11 H new ATOM 0 HB3 CYS A 612 -12.355 -24.347 13.676 1.00 51.11 H new ATOM 0 HG CYS A 612 -11.992 -21.856 14.496 1.00 25.33 H new ATOM 1095 N ARG A 613 -12.062 -25.485 17.399 1.00 31.52 N ATOM 1096 CA ARG A 613 -13.033 -25.484 18.481 1.00 65.13 C ATOM 1097 C ARG A 613 -13.865 -24.201 18.446 1.00 43.34 C ATOM 1098 O ARG A 613 -15.015 -24.190 18.882 1.00 25.03 O ATOM 1099 CB ARG A 613 -12.341 -25.599 19.841 1.00 55.31 C ATOM 1100 CG ARG A 613 -13.295 -25.215 20.974 1.00 1.33 C ATOM 1101 CD ARG A 613 -12.608 -25.342 22.335 1.00 2.15 C ATOM 1102 NE ARG A 613 -13.569 -25.845 23.342 1.00 3.24 N ATOM 1103 CZ ARG A 613 -14.583 -25.114 23.852 1.00 72.14 C ATOM 1104 NH1 ARG A 613 -14.778 -23.840 23.451 1.00 1.44 N ATOM 1105 NH2 ARG A 613 -15.382 -25.665 24.747 1.00 40.51 N ATOM 0 H ARG A 613 -11.089 -25.419 17.699 1.00 31.52 H new ATOM 0 HA ARG A 613 -13.685 -26.347 18.343 1.00 65.13 H new ATOM 0 HB2 ARG A 613 -11.987 -26.619 19.988 1.00 55.31 H new ATOM 0 HB3 ARG A 613 -11.464 -24.952 19.863 1.00 55.31 H new ATOM 0 HG2 ARG A 613 -13.641 -24.191 20.831 1.00 1.33 H new ATOM 0 HG3 ARG A 613 -14.176 -25.856 20.946 1.00 1.33 H new ATOM 0 HD2 ARG A 613 -11.758 -26.020 22.261 1.00 2.15 H new ATOM 0 HD3 ARG A 613 -12.217 -24.373 22.646 1.00 2.15 H new ATOM 0 HE ARG A 613 -13.458 -26.804 23.671 1.00 3.24 H new ATOM 0 HH11 ARG A 613 -14.157 -23.423 22.758 1.00 1.44 H new ATOM 0 HH12 ARG A 613 -15.546 -23.294 23.841 1.00 1.44 H new ATOM 0 HH21 ARG A 613 -15.228 -26.629 25.043 1.00 40.51 H new ATOM 0 HH22 ARG A 613 -16.153 -25.127 25.142 1.00 40.51 H new ATOM 1118 N ASN A 614 -13.251 -23.150 17.922 1.00 51.33 N ATOM 1119 CA ASN A 614 -13.921 -21.864 17.824 1.00 41.10 C ATOM 1120 C ASN A 614 -15.089 -21.976 16.842 1.00 11.33 C ATOM 1121 O ASN A 614 -16.159 -21.417 17.079 1.00 40.43 O ATOM 1122 CB ASN A 614 -12.969 -20.785 17.305 1.00 43.13 C ATOM 1123 CG ASN A 614 -11.724 -20.681 18.188 1.00 65.43 C ATOM 1124 OD1 ASN A 614 -11.737 -21.003 19.365 1.00 62.35 O ATOM 1125 ND2 ASN A 614 -10.650 -20.215 17.556 1.00 22.43 N ATOM 0 H ASN A 614 -12.297 -23.163 17.561 1.00 51.33 H new ATOM 0 HA ASN A 614 -14.270 -21.589 18.819 1.00 41.10 H new ATOM 0 HB2 ASN A 614 -12.675 -21.017 16.281 1.00 43.13 H new ATOM 0 HB3 ASN A 614 -13.482 -19.824 17.279 1.00 43.13 H new ATOM 0 HD21 ASN A 614 -9.769 -20.109 18.058 1.00 22.43 H new ATOM 0 HD22 ASN A 614 -10.708 -19.964 16.569 1.00 22.43 H new ATOM 1132 N CYS A 615 -14.845 -22.702 15.761 1.00 4.33 N ATOM 1133 CA CYS A 615 -15.863 -22.894 14.743 1.00 40.12 C ATOM 1134 C CYS A 615 -16.085 -24.397 14.563 1.00 1.01 C ATOM 1135 O CYS A 615 -17.085 -24.940 15.028 1.00 35.34 O ATOM 1136 CB CYS A 615 -15.483 -22.212 13.427 1.00 1.31 C ATOM 1137 SG CYS A 615 -14.259 -20.861 13.589 1.00 41.03 S ATOM 0 H CYS A 615 -13.957 -23.164 15.568 1.00 4.33 H new ATOM 0 HA CYS A 615 -16.794 -22.426 15.063 1.00 40.12 H new ATOM 0 HB2 CYS A 615 -15.085 -22.964 12.746 1.00 1.31 H new ATOM 0 HB3 CYS A 615 -16.387 -21.812 12.967 1.00 1.31 H new ATOM 0 HG CYS A 615 -13.543 -21.050 14.658 1.00 41.03 H new ATOM 1142 N GLY A 616 -15.135 -25.026 13.887 1.00 70.30 N ATOM 1143 CA GLY A 616 -15.214 -26.456 13.640 1.00 32.10 C ATOM 1144 C GLY A 616 -14.566 -26.818 12.302 1.00 32.11 C ATOM 1145 O GLY A 616 -14.250 -27.981 12.056 1.00 73.11 O ATOM 0 H GLY A 616 -14.307 -24.572 13.503 1.00 70.30 H new ATOM 0 HA2 GLY A 616 -14.718 -26.996 14.446 1.00 32.10 H new ATOM 0 HA3 GLY A 616 -16.257 -26.772 13.640 1.00 32.10 H new ATOM 1149 N GLU A 617 -14.388 -25.800 11.473 1.00 65.41 N ATOM 1150 CA GLU A 617 -13.783 -25.997 10.166 1.00 1.23 C ATOM 1151 C GLU A 617 -12.585 -26.943 10.272 1.00 35.34 C ATOM 1152 O GLU A 617 -11.509 -26.541 10.710 1.00 23.02 O ATOM 1153 CB GLU A 617 -13.372 -24.660 9.546 1.00 61.12 C ATOM 1154 CG GLU A 617 -13.362 -24.745 8.018 1.00 13.42 C ATOM 1155 CD GLU A 617 -14.780 -24.631 7.454 1.00 61.01 C ATOM 1156 OE1 GLU A 617 -15.516 -25.629 7.421 1.00 43.44 O ATOM 1157 OE2 GLU A 617 -15.110 -23.454 7.041 1.00 22.21 O ATOM 0 H GLU A 617 -14.652 -24.837 11.680 1.00 65.41 H new ATOM 0 HA GLU A 617 -14.524 -26.453 9.509 1.00 1.23 H new ATOM 0 HB2 GLU A 617 -14.062 -23.879 9.866 1.00 61.12 H new ATOM 0 HB3 GLU A 617 -12.382 -24.377 9.905 1.00 61.12 H new ATOM 0 HG2 GLU A 617 -12.739 -23.949 7.610 1.00 13.42 H new ATOM 0 HG3 GLU A 617 -12.917 -25.690 7.705 1.00 13.42 H new ATOM 1165 N VAL A 618 -12.814 -28.183 9.864 1.00 4.12 N ATOM 1166 CA VAL A 618 -11.767 -29.190 9.908 1.00 41.22 C ATOM 1167 C VAL A 618 -10.532 -28.668 9.171 1.00 51.24 C ATOM 1168 O VAL A 618 -10.558 -28.497 7.953 1.00 63.43 O ATOM 1169 CB VAL A 618 -12.288 -30.511 9.340 1.00 72.43 C ATOM 1170 CG1 VAL A 618 -11.173 -31.556 9.270 1.00 24.23 C ATOM 1171 CG2 VAL A 618 -13.474 -31.029 10.156 1.00 74.03 C ATOM 0 H VAL A 618 -13.709 -28.513 9.502 1.00 4.12 H new ATOM 0 HA VAL A 618 -11.471 -29.389 10.938 1.00 41.22 H new ATOM 0 HB VAL A 618 -12.636 -30.324 8.324 1.00 72.43 H new ATOM 0 HG11 VAL A 618 -11.571 -32.486 8.863 1.00 24.23 H new ATOM 0 HG12 VAL A 618 -10.372 -31.191 8.627 1.00 24.23 H new ATOM 0 HG13 VAL A 618 -10.781 -31.737 10.271 1.00 24.23 H new ATOM 0 HG21 VAL A 618 -13.825 -31.969 9.731 1.00 74.03 H new ATOM 0 HG22 VAL A 618 -13.163 -31.191 11.188 1.00 74.03 H new ATOM 0 HG23 VAL A 618 -14.280 -30.296 10.131 1.00 74.03 H new ATOM 1181 N TRP A 619 -9.480 -28.429 9.940 1.00 53.51 N ATOM 1182 CA TRP A 619 -8.238 -27.929 9.375 1.00 20.41 C ATOM 1183 C TRP A 619 -7.593 -29.063 8.575 1.00 20.25 C ATOM 1184 O TRP A 619 -7.254 -28.888 7.406 1.00 21.11 O ATOM 1185 CB TRP A 619 -7.323 -27.373 10.468 1.00 33.20 C ATOM 1186 CG TRP A 619 -7.852 -26.101 11.134 1.00 21.32 C ATOM 1187 CD1 TRP A 619 -8.621 -25.146 10.594 1.00 5.54 C ATOM 1188 CD2 TRP A 619 -7.618 -25.683 12.496 1.00 51.14 C ATOM 1189 NE1 TRP A 619 -8.898 -24.146 11.504 1.00 12.34 N ATOM 1190 CE2 TRP A 619 -8.269 -24.483 12.697 1.00 33.12 C ATOM 1191 CE3 TRP A 619 -6.881 -26.298 13.523 1.00 60.13 C ATOM 1192 CZ2 TRP A 619 -8.249 -23.795 13.916 1.00 23.14 C ATOM 1193 CZ3 TRP A 619 -6.870 -25.598 14.735 1.00 52.20 C ATOM 1194 CH2 TRP A 619 -7.520 -24.389 14.954 1.00 34.00 C ATOM 0 H TRP A 619 -9.462 -28.572 10.950 1.00 53.51 H new ATOM 0 HA TRP A 619 -8.429 -27.093 8.702 1.00 20.41 H new ATOM 0 HB2 TRP A 619 -7.179 -28.138 11.231 1.00 33.20 H new ATOM 0 HB3 TRP A 619 -6.344 -27.165 10.037 1.00 33.20 H new ATOM 0 HD1 TRP A 619 -8.979 -25.157 9.575 1.00 5.54 H new ATOM 0 HE1 TRP A 619 -9.461 -23.313 11.333 1.00 12.34 H new ATOM 0 HE3 TRP A 619 -6.364 -27.237 13.388 1.00 60.13 H new ATOM 0 HZ2 TRP A 619 -8.768 -22.857 14.049 1.00 23.14 H new ATOM 0 HZ3 TRP A 619 -6.318 -26.027 15.558 1.00 52.20 H new ATOM 0 HH2 TRP A 619 -7.463 -23.910 15.920 1.00 34.00 H new ATOM 1205 N GLY A 620 -7.443 -30.201 9.238 1.00 1.30 N ATOM 1206 CA GLY A 620 -6.845 -31.363 8.604 1.00 44.03 C ATOM 1207 C GLY A 620 -6.737 -32.530 9.587 1.00 35.12 C ATOM 1208 O GLY A 620 -7.706 -33.258 9.800 1.00 0.23 O ATOM 0 H GLY A 620 -7.725 -30.342 10.208 1.00 1.30 H new ATOM 0 HA2 GLY A 620 -7.445 -31.662 7.744 1.00 44.03 H new ATOM 0 HA3 GLY A 620 -5.854 -31.107 8.228 1.00 44.03 H new ATOM 1212 N LEU A 621 -5.551 -32.672 10.160 1.00 34.34 N ATOM 1213 CA LEU A 621 -5.305 -33.739 11.116 1.00 12.43 C ATOM 1214 C LEU A 621 -4.065 -33.399 11.945 1.00 44.54 C ATOM 1215 O LEU A 621 -3.350 -32.446 11.636 1.00 22.23 O ATOM 1216 CB LEU A 621 -5.217 -35.089 10.402 1.00 45.41 C ATOM 1217 CG LEU A 621 -3.874 -35.815 10.504 1.00 3.23 C ATOM 1218 CD1 LEU A 621 -3.931 -37.175 9.806 1.00 50.45 C ATOM 1219 CD2 LEU A 621 -2.736 -34.943 9.969 1.00 55.43 C ATOM 0 H LEU A 621 -4.750 -32.066 9.981 1.00 34.34 H new ATOM 0 HA LEU A 621 -6.140 -33.827 11.812 1.00 12.43 H new ATOM 0 HB2 LEU A 621 -5.992 -35.742 10.804 1.00 45.41 H new ATOM 0 HB3 LEU A 621 -5.445 -34.935 9.347 1.00 45.41 H new ATOM 0 HG LEU A 621 -3.667 -36.003 11.558 1.00 3.23 H new ATOM 0 HD11 LEU A 621 -2.964 -37.670 9.894 1.00 50.45 H new ATOM 0 HD12 LEU A 621 -4.698 -37.792 10.274 1.00 50.45 H new ATOM 0 HD13 LEU A 621 -4.172 -37.033 8.752 1.00 50.45 H new ATOM 0 HD21 LEU A 621 -1.793 -35.483 10.053 1.00 55.43 H new ATOM 0 HD22 LEU A 621 -2.924 -34.702 8.923 1.00 55.43 H new ATOM 0 HD23 LEU A 621 -2.680 -34.022 10.549 1.00 55.43 H new ATOM 1231 N GLN A 622 -3.847 -34.196 12.980 1.00 1.11 N ATOM 1232 CA GLN A 622 -2.705 -33.991 13.855 1.00 31.32 C ATOM 1233 C GLN A 622 -1.525 -34.851 13.398 1.00 41.35 C ATOM 1234 O GLN A 622 -1.704 -35.809 12.648 1.00 34.52 O ATOM 1235 CB GLN A 622 -3.069 -34.290 15.311 1.00 72.53 C ATOM 1236 CG GLN A 622 -2.494 -33.228 16.249 1.00 24.25 C ATOM 1237 CD GLN A 622 -2.212 -33.815 17.634 1.00 4.01 C ATOM 1238 OE1 GLN A 622 -1.109 -34.232 17.947 1.00 5.32 O ATOM 1239 NE2 GLN A 622 -3.267 -33.824 18.443 1.00 33.01 N ATOM 0 H GLN A 622 -4.442 -34.985 13.233 1.00 1.11 H new ATOM 0 HA GLN A 622 -2.411 -32.943 13.796 1.00 31.32 H new ATOM 0 HB2 GLN A 622 -4.153 -34.327 15.418 1.00 72.53 H new ATOM 0 HB3 GLN A 622 -2.688 -35.272 15.591 1.00 72.53 H new ATOM 0 HG2 GLN A 622 -1.574 -32.824 15.827 1.00 24.25 H new ATOM 0 HG3 GLN A 622 -3.195 -32.398 16.338 1.00 24.25 H new ATOM 0 HE21 GLN A 622 -4.162 -33.459 18.118 1.00 33.01 H new ATOM 0 HE22 GLN A 622 -3.181 -34.196 19.389 1.00 33.01 H new ATOM 1248 N MET A 623 -0.344 -34.476 13.867 1.00 30.34 N ATOM 1249 CA MET A 623 0.865 -35.201 13.516 1.00 44.12 C ATOM 1250 C MET A 623 1.857 -35.210 14.681 1.00 44.14 C ATOM 1251 O MET A 623 2.312 -34.156 15.122 1.00 51.52 O ATOM 1252 CB MET A 623 1.516 -34.546 12.296 1.00 63.33 C ATOM 1253 CG MET A 623 0.941 -35.114 10.997 1.00 61.44 C ATOM 1254 SD MET A 623 1.771 -36.638 10.577 1.00 54.05 S ATOM 1255 CE MET A 623 1.002 -36.986 9.004 1.00 73.14 C ATOM 0 H MET A 623 -0.199 -33.679 14.487 1.00 30.34 H new ATOM 0 HA MET A 623 0.595 -36.232 13.286 1.00 44.12 H new ATOM 0 HB2 MET A 623 1.356 -33.468 12.328 1.00 63.33 H new ATOM 0 HB3 MET A 623 2.593 -34.709 12.323 1.00 63.33 H new ATOM 0 HG2 MET A 623 -0.128 -35.292 11.110 1.00 61.44 H new ATOM 0 HG3 MET A 623 1.060 -34.391 10.190 1.00 61.44 H new ATOM 0 HE1 MET A 623 1.651 -37.636 8.417 1.00 73.14 H new ATOM 0 HE2 MET A 623 0.045 -37.482 9.168 1.00 73.14 H new ATOM 0 HE3 MET A 623 0.839 -36.053 8.464 1.00 73.14 H new ATOM 1265 N ILE A 624 2.164 -36.412 15.145 1.00 22.14 N ATOM 1266 CA ILE A 624 3.094 -36.572 16.250 1.00 21.35 C ATOM 1267 C ILE A 624 4.495 -36.842 15.697 1.00 31.35 C ATOM 1268 O ILE A 624 4.663 -37.660 14.794 1.00 34.33 O ATOM 1269 CB ILE A 624 2.597 -37.649 17.217 1.00 13.45 C ATOM 1270 CG1 ILE A 624 1.286 -37.224 17.883 1.00 21.14 C ATOM 1271 CG2 ILE A 624 3.674 -38.002 18.245 1.00 35.22 C ATOM 1272 CD1 ILE A 624 0.162 -37.100 16.852 1.00 4.05 C ATOM 0 H ILE A 624 1.785 -37.284 14.776 1.00 22.14 H new ATOM 0 HA ILE A 624 3.153 -35.654 16.834 1.00 21.35 H new ATOM 0 HB ILE A 624 2.390 -38.553 16.645 1.00 13.45 H new ATOM 0 HG12 ILE A 624 1.008 -37.953 18.644 1.00 21.14 H new ATOM 0 HG13 ILE A 624 1.425 -36.270 18.391 1.00 21.14 H new ATOM 0 HG21 ILE A 624 3.295 -38.769 18.920 1.00 35.22 H new ATOM 0 HG22 ILE A 624 4.559 -38.376 17.731 1.00 35.22 H new ATOM 0 HG23 ILE A 624 3.936 -37.112 18.818 1.00 35.22 H new ATOM 0 HD11 ILE A 624 -0.758 -36.797 17.352 1.00 4.05 H new ATOM 0 HD12 ILE A 624 0.433 -36.353 16.106 1.00 4.05 H new ATOM 0 HD13 ILE A 624 0.009 -38.062 16.363 1.00 4.05 H new ATOM 1284 N TYR A 625 5.465 -36.139 16.263 1.00 61.12 N ATOM 1285 CA TYR A 625 6.846 -36.293 15.838 1.00 40.44 C ATOM 1286 C TYR A 625 7.795 -36.268 17.037 1.00 1.15 C ATOM 1287 O TYR A 625 8.045 -35.211 17.614 1.00 2.50 O ATOM 1288 CB TYR A 625 7.147 -35.091 14.940 1.00 51.12 C ATOM 1289 CG TYR A 625 8.639 -34.805 14.762 1.00 3.24 C ATOM 1290 CD1 TYR A 625 9.374 -35.519 13.838 1.00 71.32 C ATOM 1291 CD2 TYR A 625 9.251 -33.832 15.527 1.00 22.40 C ATOM 1292 CE1 TYR A 625 10.779 -35.250 13.671 1.00 74.02 C ATOM 1293 CE2 TYR A 625 10.656 -33.563 15.360 1.00 31.21 C ATOM 1294 CZ TYR A 625 11.350 -34.285 14.440 1.00 23.22 C ATOM 1295 OH TYR A 625 12.677 -34.031 14.283 1.00 51.14 O ATOM 0 H TYR A 625 5.322 -35.462 17.012 1.00 61.12 H new ATOM 0 HA TYR A 625 6.986 -37.244 15.325 1.00 40.44 H new ATOM 0 HB2 TYR A 625 6.701 -35.262 13.960 1.00 51.12 H new ATOM 0 HB3 TYR A 625 6.666 -34.208 15.360 1.00 51.12 H new ATOM 0 HD1 TYR A 625 8.895 -36.280 13.240 1.00 71.32 H new ATOM 0 HD2 TYR A 625 8.676 -33.273 16.250 1.00 22.40 H new ATOM 0 HE1 TYR A 625 11.365 -35.802 12.952 1.00 74.02 H new ATOM 0 HE2 TYR A 625 11.147 -32.805 15.952 1.00 31.21 H new ATOM 0 HH TYR A 625 12.948 -33.317 14.897 1.00 51.14 H new ATOM 1305 N LYS A 626 8.298 -37.445 17.378 1.00 31.40 N ATOM 1306 CA LYS A 626 9.214 -37.572 18.499 1.00 70.22 C ATOM 1307 C LYS A 626 8.444 -37.374 19.806 1.00 2.20 C ATOM 1308 O LYS A 626 9.036 -37.062 20.838 1.00 3.40 O ATOM 1309 CB LYS A 626 10.399 -36.619 18.332 1.00 24.34 C ATOM 1310 CG LYS A 626 10.944 -36.666 16.903 1.00 21.13 C ATOM 1311 CD LYS A 626 11.722 -37.960 16.655 1.00 2.13 C ATOM 1312 CE LYS A 626 10.798 -39.065 16.139 1.00 44.21 C ATOM 1313 NZ LYS A 626 11.523 -39.950 15.200 1.00 43.32 N ATOM 0 H LYS A 626 8.089 -38.320 16.897 1.00 31.40 H new ATOM 0 HA LYS A 626 9.642 -38.574 18.530 1.00 70.22 H new ATOM 0 HB2 LYS A 626 10.089 -35.602 18.574 1.00 24.34 H new ATOM 0 HB3 LYS A 626 11.188 -36.887 19.035 1.00 24.34 H new ATOM 0 HG2 LYS A 626 10.120 -36.591 16.193 1.00 21.13 H new ATOM 0 HG3 LYS A 626 11.593 -35.808 16.729 1.00 21.13 H new ATOM 0 HD2 LYS A 626 12.516 -37.778 15.931 1.00 2.13 H new ATOM 0 HD3 LYS A 626 12.201 -38.283 17.579 1.00 2.13 H new ATOM 0 HE2 LYS A 626 10.416 -39.649 16.977 1.00 44.21 H new ATOM 0 HE3 LYS A 626 9.936 -38.623 15.639 1.00 44.21 H new ATOM 0 HZ1 LYS A 626 10.882 -40.694 14.859 1.00 43.32 H new ATOM 0 HZ2 LYS A 626 11.866 -39.392 14.392 1.00 43.32 H new ATOM 0 HZ3 LYS A 626 12.331 -40.386 15.688 1.00 43.32 H new ATOM 1326 N SER A 627 7.136 -37.563 19.720 1.00 73.14 N ATOM 1327 CA SER A 627 6.279 -37.409 20.883 1.00 52.22 C ATOM 1328 C SER A 627 5.881 -35.941 21.049 1.00 5.40 C ATOM 1329 O SER A 627 5.813 -35.435 22.168 1.00 33.34 O ATOM 1330 CB SER A 627 6.971 -37.918 22.149 1.00 43.25 C ATOM 1331 OG SER A 627 7.706 -36.889 22.806 1.00 41.34 O ATOM 0 H SER A 627 6.648 -37.822 18.862 1.00 73.14 H new ATOM 0 HA SER A 627 5.381 -38.007 20.727 1.00 52.22 H new ATOM 0 HB2 SER A 627 6.225 -38.323 22.832 1.00 43.25 H new ATOM 0 HB3 SER A 627 7.644 -38.736 21.891 1.00 43.25 H new ATOM 0 HG SER A 627 8.311 -36.459 22.166 1.00 41.34 H new ATOM 1337 N VAL A 628 5.630 -35.297 19.918 1.00 24.14 N ATOM 1338 CA VAL A 628 5.242 -33.897 19.925 1.00 52.04 C ATOM 1339 C VAL A 628 3.961 -33.724 19.106 1.00 31.10 C ATOM 1340 O VAL A 628 3.966 -33.915 17.891 1.00 71.11 O ATOM 1341 CB VAL A 628 6.397 -33.031 19.417 1.00 31.14 C ATOM 1342 CG1 VAL A 628 5.917 -31.616 19.088 1.00 65.15 C ATOM 1343 CG2 VAL A 628 7.544 -33.000 20.429 1.00 11.44 C ATOM 0 H VAL A 628 5.688 -35.719 18.991 1.00 24.14 H new ATOM 0 HA VAL A 628 5.027 -33.565 20.941 1.00 52.04 H new ATOM 0 HB VAL A 628 6.774 -33.479 18.497 1.00 31.14 H new ATOM 0 HG11 VAL A 628 6.757 -31.021 18.729 1.00 65.15 H new ATOM 0 HG12 VAL A 628 5.149 -31.663 18.316 1.00 65.15 H new ATOM 0 HG13 VAL A 628 5.502 -31.155 19.984 1.00 65.15 H new ATOM 0 HG21 VAL A 628 8.352 -32.378 20.044 1.00 11.44 H new ATOM 0 HG22 VAL A 628 7.186 -32.587 21.372 1.00 11.44 H new ATOM 0 HG23 VAL A 628 7.912 -34.013 20.593 1.00 11.44 H new ATOM 1353 N LYS A 629 2.894 -33.365 19.805 1.00 41.42 N ATOM 1354 CA LYS A 629 1.609 -33.164 19.158 1.00 54.21 C ATOM 1355 C LYS A 629 1.685 -31.934 18.251 1.00 3.22 C ATOM 1356 O LYS A 629 1.576 -30.803 18.723 1.00 54.05 O ATOM 1357 CB LYS A 629 0.490 -33.091 20.200 1.00 62.25 C ATOM 1358 CG LYS A 629 0.551 -34.286 21.153 1.00 34.30 C ATOM 1359 CD LYS A 629 -0.273 -35.458 20.616 1.00 61.53 C ATOM 1360 CE LYS A 629 -1.747 -35.313 20.997 1.00 34.11 C ATOM 1361 NZ LYS A 629 -1.984 -35.838 22.361 1.00 52.43 N ATOM 0 H LYS A 629 2.893 -33.208 20.813 1.00 41.42 H new ATOM 0 HA LYS A 629 1.366 -34.015 18.522 1.00 54.21 H new ATOM 0 HB2 LYS A 629 0.576 -32.164 20.767 1.00 62.25 H new ATOM 0 HB3 LYS A 629 -0.478 -33.070 19.699 1.00 62.25 H new ATOM 0 HG2 LYS A 629 1.587 -34.596 21.287 1.00 34.30 H new ATOM 0 HG3 LYS A 629 0.177 -33.993 22.134 1.00 34.30 H new ATOM 0 HD2 LYS A 629 -0.177 -35.507 19.531 1.00 61.53 H new ATOM 0 HD3 LYS A 629 0.118 -36.394 21.013 1.00 61.53 H new ATOM 0 HE2 LYS A 629 -2.040 -34.264 20.949 1.00 34.11 H new ATOM 0 HE3 LYS A 629 -2.368 -35.851 20.281 1.00 34.11 H new ATOM 0 HZ1 LYS A 629 -2.990 -35.732 22.604 1.00 52.43 H new ATOM 0 HZ2 LYS A 629 -1.724 -36.844 22.396 1.00 52.43 H new ATOM 0 HZ3 LYS A 629 -1.405 -35.307 23.043 1.00 52.43 H new ATOM 1374 N LEU A 630 1.873 -32.196 16.966 1.00 22.32 N ATOM 1375 CA LEU A 630 1.966 -31.125 15.989 1.00 11.32 C ATOM 1376 C LEU A 630 0.752 -31.182 15.059 1.00 24.12 C ATOM 1377 O LEU A 630 0.617 -32.112 14.265 1.00 5.05 O ATOM 1378 CB LEU A 630 3.307 -31.184 15.255 1.00 51.30 C ATOM 1379 CG LEU A 630 4.557 -31.138 16.136 1.00 12.43 C ATOM 1380 CD1 LEU A 630 5.821 -31.368 15.307 1.00 44.34 C ATOM 1381 CD2 LEU A 630 4.621 -29.830 16.929 1.00 61.34 C ATOM 0 H LEU A 630 1.963 -33.135 16.579 1.00 22.32 H new ATOM 0 HA LEU A 630 1.943 -30.154 16.484 1.00 11.32 H new ATOM 0 HB2 LEU A 630 3.336 -32.100 14.666 1.00 51.30 H new ATOM 0 HB3 LEU A 630 3.351 -30.352 14.553 1.00 51.30 H new ATOM 0 HG LEU A 630 4.495 -31.951 16.860 1.00 12.43 H new ATOM 0 HD11 LEU A 630 6.695 -31.330 15.958 1.00 44.34 H new ATOM 0 HD12 LEU A 630 5.768 -32.345 14.827 1.00 44.34 H new ATOM 0 HD13 LEU A 630 5.902 -30.593 14.545 1.00 44.34 H new ATOM 0 HD21 LEU A 630 5.519 -29.823 17.547 1.00 61.34 H new ATOM 0 HD22 LEU A 630 4.649 -28.987 16.239 1.00 61.34 H new ATOM 0 HD23 LEU A 630 3.741 -29.748 17.567 1.00 61.34 H new ATOM 1393 N PRO A 631 -0.122 -30.149 15.191 1.00 34.24 N ATOM 1394 CA PRO A 631 -1.320 -30.073 14.372 1.00 31.44 C ATOM 1395 C PRO A 631 -0.981 -29.648 12.942 1.00 24.04 C ATOM 1396 O PRO A 631 -0.251 -28.679 12.736 1.00 72.43 O ATOM 1397 CB PRO A 631 -2.224 -29.083 15.088 1.00 0.20 C ATOM 1398 CG PRO A 631 -1.321 -28.294 16.022 1.00 42.31 C ATOM 1399 CD PRO A 631 0.005 -29.030 16.121 1.00 60.42 C ATOM 0 HA PRO A 631 -1.816 -31.037 14.262 1.00 31.44 H new ATOM 0 HB2 PRO A 631 -2.722 -28.424 14.377 1.00 0.20 H new ATOM 0 HB3 PRO A 631 -3.006 -29.600 15.645 1.00 0.20 H new ATOM 0 HG2 PRO A 631 -1.169 -27.283 15.643 1.00 42.31 H new ATOM 0 HG3 PRO A 631 -1.779 -28.199 17.006 1.00 42.31 H new ATOM 0 HD2 PRO A 631 0.839 -28.382 15.850 1.00 60.42 H new ATOM 0 HD3 PRO A 631 0.190 -29.379 17.137 1.00 60.42 H new ATOM 1407 N VAL A 632 -1.526 -30.393 11.992 1.00 22.23 N ATOM 1408 CA VAL A 632 -1.290 -30.105 10.588 1.00 60.43 C ATOM 1409 C VAL A 632 -2.483 -29.332 10.023 1.00 51.03 C ATOM 1410 O VAL A 632 -3.463 -29.931 9.583 1.00 54.42 O ATOM 1411 CB VAL A 632 -1.005 -31.403 9.828 1.00 2.33 C ATOM 1412 CG1 VAL A 632 -0.826 -31.135 8.333 1.00 52.43 C ATOM 1413 CG2 VAL A 632 0.217 -32.119 10.407 1.00 60.32 C ATOM 0 H VAL A 632 -2.130 -31.196 12.167 1.00 22.23 H new ATOM 0 HA VAL A 632 -0.409 -29.475 10.471 1.00 60.43 H new ATOM 0 HB VAL A 632 -1.867 -32.059 9.949 1.00 2.33 H new ATOM 0 HG11 VAL A 632 -0.625 -32.074 7.817 1.00 52.43 H new ATOM 0 HG12 VAL A 632 -1.736 -30.688 7.932 1.00 52.43 H new ATOM 0 HG13 VAL A 632 0.010 -30.452 8.183 1.00 52.43 H new ATOM 0 HG21 VAL A 632 0.398 -33.038 9.850 1.00 60.32 H new ATOM 0 HG22 VAL A 632 1.089 -31.470 10.330 1.00 60.32 H new ATOM 0 HG23 VAL A 632 0.035 -32.360 11.454 1.00 60.32 H new ATOM 1423 N LEU A 633 -2.361 -28.013 10.053 1.00 24.12 N ATOM 1424 CA LEU A 633 -3.417 -27.152 9.550 1.00 43.54 C ATOM 1425 C LEU A 633 -3.061 -26.689 8.135 1.00 3.23 C ATOM 1426 O LEU A 633 -1.941 -26.901 7.672 1.00 30.14 O ATOM 1427 CB LEU A 633 -3.681 -26.002 10.524 1.00 31.23 C ATOM 1428 CG LEU A 633 -3.639 -26.361 12.011 1.00 14.22 C ATOM 1429 CD1 LEU A 633 -4.047 -27.818 12.235 1.00 31.33 C ATOM 1430 CD2 LEU A 633 -2.267 -26.051 12.612 1.00 43.23 C ATOM 0 H LEU A 633 -1.546 -27.520 10.418 1.00 24.12 H new ATOM 0 HA LEU A 633 -4.355 -27.702 9.480 1.00 43.54 H new ATOM 0 HB2 LEU A 633 -2.946 -25.219 10.339 1.00 31.23 H new ATOM 0 HB3 LEU A 633 -4.660 -25.580 10.300 1.00 31.23 H new ATOM 0 HG LEU A 633 -4.366 -25.739 12.533 1.00 14.22 H new ATOM 0 HD11 LEU A 633 -4.009 -28.047 13.300 1.00 31.33 H new ATOM 0 HD12 LEU A 633 -5.061 -27.973 11.867 1.00 31.33 H new ATOM 0 HD13 LEU A 633 -3.362 -28.474 11.698 1.00 31.33 H new ATOM 0 HD21 LEU A 633 -2.265 -26.316 13.669 1.00 43.23 H new ATOM 0 HD22 LEU A 633 -1.503 -26.629 12.092 1.00 43.23 H new ATOM 0 HD23 LEU A 633 -2.054 -24.987 12.504 1.00 43.23 H new ATOM 1442 N LYS A 634 -4.034 -26.065 7.489 1.00 73.15 N ATOM 1443 CA LYS A 634 -3.838 -25.571 6.136 1.00 3.44 C ATOM 1444 C LYS A 634 -3.787 -24.042 6.160 1.00 42.44 C ATOM 1445 O LYS A 634 -3.712 -23.436 7.227 1.00 11.43 O ATOM 1446 CB LYS A 634 -4.906 -26.136 5.198 1.00 21.24 C ATOM 1447 CG LYS A 634 -6.172 -26.511 5.972 1.00 41.23 C ATOM 1448 CD LYS A 634 -7.263 -27.016 5.026 1.00 51.14 C ATOM 1449 CE LYS A 634 -8.643 -26.529 5.471 1.00 54.11 C ATOM 1450 NZ LYS A 634 -9.626 -27.635 5.416 1.00 4.34 N ATOM 0 H LYS A 634 -4.961 -25.890 7.877 1.00 73.15 H new ATOM 0 HA LYS A 634 -2.884 -25.917 5.738 1.00 3.44 H new ATOM 0 HB2 LYS A 634 -5.149 -25.400 4.432 1.00 21.24 H new ATOM 0 HB3 LYS A 634 -4.516 -27.014 4.684 1.00 21.24 H new ATOM 0 HG2 LYS A 634 -5.938 -27.281 6.707 1.00 41.23 H new ATOM 0 HG3 LYS A 634 -6.536 -25.644 6.523 1.00 41.23 H new ATOM 0 HD2 LYS A 634 -7.060 -26.669 4.013 1.00 51.14 H new ATOM 0 HD3 LYS A 634 -7.249 -28.106 4.998 1.00 51.14 H new ATOM 0 HE2 LYS A 634 -8.586 -26.135 6.486 1.00 54.11 H new ATOM 0 HE3 LYS A 634 -8.971 -25.711 4.829 1.00 54.11 H new ATOM 0 HZ1 LYS A 634 -10.479 -27.317 4.912 1.00 4.34 H new ATOM 0 HZ2 LYS A 634 -9.209 -28.445 4.914 1.00 4.34 H new ATOM 0 HZ3 LYS A 634 -9.881 -27.921 6.383 1.00 4.34 H new ATOM 1463 N VAL A 635 -3.829 -23.462 4.969 1.00 12.10 N ATOM 1464 CA VAL A 635 -3.789 -22.015 4.839 1.00 21.22 C ATOM 1465 C VAL A 635 -5.140 -21.516 4.324 1.00 13.11 C ATOM 1466 O VAL A 635 -5.456 -20.333 4.445 1.00 71.22 O ATOM 1467 CB VAL A 635 -2.618 -21.603 3.944 1.00 14.43 C ATOM 1468 CG1 VAL A 635 -2.781 -22.170 2.533 1.00 61.02 C ATOM 1469 CG2 VAL A 635 -2.465 -20.081 3.909 1.00 11.33 C ATOM 0 H VAL A 635 -3.890 -23.968 4.085 1.00 12.10 H new ATOM 0 HA VAL A 635 -3.619 -21.548 5.809 1.00 21.22 H new ATOM 0 HB VAL A 635 -1.706 -22.022 4.370 1.00 14.43 H new ATOM 0 HG11 VAL A 635 -1.936 -21.862 1.917 1.00 61.02 H new ATOM 0 HG12 VAL A 635 -2.819 -23.258 2.580 1.00 61.02 H new ATOM 0 HG13 VAL A 635 -3.705 -21.794 2.094 1.00 61.02 H new ATOM 0 HG21 VAL A 635 -1.626 -19.814 3.266 1.00 11.33 H new ATOM 0 HG22 VAL A 635 -3.378 -19.632 3.518 1.00 11.33 H new ATOM 0 HG23 VAL A 635 -2.281 -19.710 4.918 1.00 11.33 H new ATOM 1479 N ARG A 636 -5.902 -22.442 3.761 1.00 63.23 N ATOM 1480 CA ARG A 636 -7.212 -22.111 3.227 1.00 41.12 C ATOM 1481 C ARG A 636 -8.231 -21.986 4.361 1.00 73.11 C ATOM 1482 O ARG A 636 -9.357 -21.541 4.142 1.00 1.03 O ATOM 1483 CB ARG A 636 -7.689 -23.176 2.237 1.00 45.42 C ATOM 1484 CG ARG A 636 -8.189 -24.421 2.970 1.00 31.54 C ATOM 1485 CD ARG A 636 -8.434 -25.572 1.992 1.00 32.33 C ATOM 1486 NE ARG A 636 -9.639 -26.332 2.396 1.00 5.21 N ATOM 1487 CZ ARG A 636 -10.870 -25.791 2.516 1.00 4.10 C ATOM 1488 NH1 ARG A 636 -11.069 -24.480 2.264 1.00 54.23 N ATOM 1489 NH2 ARG A 636 -11.875 -26.563 2.884 1.00 61.11 N ATOM 0 H ARG A 636 -5.637 -23.422 3.663 1.00 63.23 H new ATOM 0 HA ARG A 636 -7.126 -21.158 2.704 1.00 41.12 H new ATOM 0 HB2 ARG A 636 -8.488 -22.769 1.617 1.00 45.42 H new ATOM 0 HB3 ARG A 636 -6.873 -23.447 1.568 1.00 45.42 H new ATOM 0 HG2 ARG A 636 -7.457 -24.725 3.719 1.00 31.54 H new ATOM 0 HG3 ARG A 636 -9.112 -24.188 3.502 1.00 31.54 H new ATOM 0 HD2 ARG A 636 -8.562 -25.181 0.982 1.00 32.33 H new ATOM 0 HD3 ARG A 636 -7.567 -26.233 1.971 1.00 32.33 H new ATOM 0 HE ARG A 636 -9.532 -27.326 2.596 1.00 5.21 H new ATOM 0 HH11 ARG A 636 -10.286 -23.891 1.981 1.00 54.23 H new ATOM 0 HH12 ARG A 636 -12.002 -24.079 2.357 1.00 54.23 H new ATOM 0 HH21 ARG A 636 -11.715 -27.553 3.073 1.00 61.11 H new ATOM 0 HH22 ARG A 636 -12.811 -26.170 2.979 1.00 61.11 H new ATOM 1502 N SER A 637 -7.800 -22.387 5.548 1.00 52.11 N ATOM 1503 CA SER A 637 -8.661 -22.326 6.717 1.00 53.53 C ATOM 1504 C SER A 637 -8.016 -21.455 7.797 1.00 61.11 C ATOM 1505 O SER A 637 -8.610 -21.223 8.849 1.00 43.33 O ATOM 1506 CB SER A 637 -8.948 -23.725 7.264 1.00 63.22 C ATOM 1507 OG SER A 637 -7.772 -24.351 7.772 1.00 53.24 O ATOM 0 H SER A 637 -6.866 -22.755 5.725 1.00 52.11 H new ATOM 0 HA SER A 637 -9.610 -21.881 6.419 1.00 53.53 H new ATOM 0 HB2 SER A 637 -9.694 -23.659 8.056 1.00 63.22 H new ATOM 0 HB3 SER A 637 -9.375 -24.343 6.474 1.00 63.22 H new ATOM 0 HG SER A 637 -7.880 -24.521 8.731 1.00 53.24 H new ATOM 1513 N MET A 638 -6.809 -20.998 7.500 1.00 44.51 N ATOM 1514 CA MET A 638 -6.076 -20.158 8.432 1.00 11.15 C ATOM 1515 C MET A 638 -5.916 -18.739 7.884 1.00 55.44 C ATOM 1516 O MET A 638 -5.351 -18.545 6.809 1.00 42.13 O ATOM 1517 CB MET A 638 -4.695 -20.764 8.689 1.00 31.35 C ATOM 1518 CG MET A 638 -4.801 -22.023 9.553 1.00 11.34 C ATOM 1519 SD MET A 638 -5.199 -21.577 11.235 1.00 1.33 S ATOM 1520 CE MET A 638 -6.830 -22.290 11.368 1.00 41.34 C ATOM 0 H MET A 638 -6.320 -21.193 6.627 1.00 44.51 H new ATOM 0 HA MET A 638 -6.639 -20.106 9.364 1.00 11.15 H new ATOM 0 HB2 MET A 638 -4.219 -21.009 7.740 1.00 31.35 H new ATOM 0 HB3 MET A 638 -4.059 -20.031 9.185 1.00 31.35 H new ATOM 0 HG2 MET A 638 -5.568 -22.685 9.152 1.00 11.34 H new ATOM 0 HG3 MET A 638 -3.860 -22.572 9.527 1.00 11.34 H new ATOM 0 HE1 MET A 638 -7.448 -21.666 12.014 1.00 41.34 H new ATOM 0 HE2 MET A 638 -7.283 -22.349 10.378 1.00 41.34 H new ATOM 0 HE3 MET A 638 -6.756 -23.291 11.793 1.00 41.34 H new ATOM 1530 N LEU A 639 -6.425 -17.783 8.647 1.00 52.41 N ATOM 1531 CA LEU A 639 -6.346 -16.387 8.251 1.00 52.14 C ATOM 1532 C LEU A 639 -5.053 -15.778 8.797 1.00 71.41 C ATOM 1533 O LEU A 639 -4.538 -16.224 9.821 1.00 3.43 O ATOM 1534 CB LEU A 639 -7.608 -15.636 8.679 1.00 14.13 C ATOM 1535 CG LEU A 639 -7.557 -14.112 8.555 1.00 42.21 C ATOM 1536 CD1 LEU A 639 -7.212 -13.690 7.125 1.00 14.33 C ATOM 1537 CD2 LEU A 639 -8.861 -13.478 9.041 1.00 15.52 C ATOM 0 H LEU A 639 -6.894 -17.948 9.538 1.00 52.41 H new ATOM 0 HA LEU A 639 -6.305 -16.301 7.165 1.00 52.14 H new ATOM 0 HB2 LEU A 639 -8.444 -16.001 8.082 1.00 14.13 H new ATOM 0 HB3 LEU A 639 -7.823 -15.889 9.717 1.00 14.13 H new ATOM 0 HG LEU A 639 -6.760 -13.743 9.201 1.00 42.21 H new ATOM 0 HD11 LEU A 639 -7.182 -12.602 7.064 1.00 14.33 H new ATOM 0 HD12 LEU A 639 -6.238 -14.096 6.851 1.00 14.33 H new ATOM 0 HD13 LEU A 639 -7.970 -14.071 6.440 1.00 14.33 H new ATOM 0 HD21 LEU A 639 -8.798 -12.394 8.942 1.00 15.52 H new ATOM 0 HD22 LEU A 639 -9.692 -13.849 8.441 1.00 15.52 H new ATOM 0 HD23 LEU A 639 -9.024 -13.738 10.087 1.00 15.52 H new ATOM 1549 N LEU A 640 -4.566 -14.770 8.089 1.00 61.11 N ATOM 1550 CA LEU A 640 -3.343 -14.096 8.490 1.00 22.01 C ATOM 1551 C LEU A 640 -3.636 -12.612 8.722 1.00 21.44 C ATOM 1552 O LEU A 640 -3.775 -11.847 7.770 1.00 54.03 O ATOM 1553 CB LEU A 640 -2.231 -14.351 7.470 1.00 12.11 C ATOM 1554 CG LEU A 640 -2.147 -15.773 6.911 1.00 2.23 C ATOM 1555 CD1 LEU A 640 -1.326 -15.807 5.621 1.00 41.12 C ATOM 1556 CD2 LEU A 640 -1.604 -16.743 7.962 1.00 64.41 C ATOM 0 H LEU A 640 -4.996 -14.404 7.240 1.00 61.11 H new ATOM 0 HA LEU A 640 -2.977 -14.501 9.434 1.00 22.01 H new ATOM 0 HB2 LEU A 640 -2.365 -13.661 6.636 1.00 12.11 H new ATOM 0 HB3 LEU A 640 -1.276 -14.108 7.935 1.00 12.11 H new ATOM 0 HG LEU A 640 -3.155 -16.102 6.659 1.00 2.23 H new ATOM 0 HD11 LEU A 640 -1.282 -16.829 5.245 1.00 41.12 H new ATOM 0 HD12 LEU A 640 -1.794 -15.165 4.875 1.00 41.12 H new ATOM 0 HD13 LEU A 640 -0.316 -15.451 5.823 1.00 41.12 H new ATOM 0 HD21 LEU A 640 -1.554 -17.747 7.540 1.00 64.41 H new ATOM 0 HD22 LEU A 640 -0.606 -16.428 8.267 1.00 64.41 H new ATOM 0 HD23 LEU A 640 -2.264 -16.747 8.829 1.00 64.41 H new ATOM 1568 N GLU A 641 -3.721 -12.251 9.994 1.00 5.12 N ATOM 1569 CA GLU A 641 -3.995 -10.873 10.364 1.00 45.53 C ATOM 1570 C GLU A 641 -2.757 -10.004 10.130 1.00 25.33 C ATOM 1571 O GLU A 641 -1.673 -10.317 10.622 1.00 71.05 O ATOM 1572 CB GLU A 641 -4.465 -10.778 11.816 1.00 2.55 C ATOM 1573 CG GLU A 641 -5.964 -10.480 11.889 1.00 21.12 C ATOM 1574 CD GLU A 641 -6.439 -10.409 13.342 1.00 61.21 C ATOM 1575 OE1 GLU A 641 -5.614 -10.274 14.258 1.00 52.21 O ATOM 1576 OE2 GLU A 641 -7.716 -10.499 13.503 1.00 3.00 O ATOM 0 H GLU A 641 -3.605 -12.889 10.781 1.00 5.12 H new ATOM 0 HA GLU A 641 -4.801 -10.501 9.731 1.00 45.53 H new ATOM 0 HB2 GLU A 641 -4.251 -11.713 12.333 1.00 2.55 H new ATOM 0 HB3 GLU A 641 -3.909 -9.995 12.331 1.00 2.55 H new ATOM 0 HG2 GLU A 641 -6.176 -9.536 11.387 1.00 21.12 H new ATOM 0 HG3 GLU A 641 -6.519 -11.254 11.359 1.00 21.12 H new ATOM 1584 N THR A 642 -2.959 -8.931 9.381 1.00 43.25 N ATOM 1585 CA THR A 642 -1.872 -8.015 9.076 1.00 33.20 C ATOM 1586 C THR A 642 -2.334 -6.566 9.241 1.00 74.04 C ATOM 1587 O THR A 642 -3.531 -6.284 9.205 1.00 71.33 O ATOM 1588 CB THR A 642 -1.365 -8.335 7.669 1.00 61.14 C ATOM 1589 OG1 THR A 642 -2.230 -7.595 6.811 1.00 24.12 O ATOM 1590 CG2 THR A 642 -1.609 -9.793 7.275 1.00 30.55 C ATOM 0 H THR A 642 -3.859 -8.674 8.976 1.00 43.25 H new ATOM 0 HA THR A 642 -1.042 -8.140 9.772 1.00 33.20 H new ATOM 0 HB THR A 642 -0.299 -8.117 7.610 1.00 61.14 H new ATOM 0 HG1 THR A 642 -2.631 -8.199 6.151 1.00 24.12 H new ATOM 0 HG21 THR A 642 -1.230 -9.966 6.268 1.00 30.55 H new ATOM 0 HG22 THR A 642 -1.093 -10.450 7.975 1.00 30.55 H new ATOM 0 HG23 THR A 642 -2.678 -10.003 7.302 1.00 30.55 H new ATOM 1598 N PRO A 643 -1.335 -5.661 9.422 1.00 33.44 N ATOM 1599 CA PRO A 643 -1.627 -4.248 9.593 1.00 60.34 C ATOM 1600 C PRO A 643 -2.015 -3.604 8.260 1.00 1.01 C ATOM 1601 O PRO A 643 -2.640 -2.545 8.237 1.00 3.33 O ATOM 1602 CB PRO A 643 -0.363 -3.655 10.194 1.00 71.24 C ATOM 1603 CG PRO A 643 0.744 -4.657 9.907 1.00 1.43 C ATOM 1604 CD PRO A 643 0.093 -5.959 9.470 1.00 3.25 C ATOM 0 HA PRO A 643 -2.483 -4.071 10.245 1.00 60.34 H new ATOM 0 HB2 PRO A 643 -0.137 -2.685 9.750 1.00 71.24 H new ATOM 0 HB3 PRO A 643 -0.478 -3.496 11.266 1.00 71.24 H new ATOM 0 HG2 PRO A 643 1.406 -4.281 9.127 1.00 1.43 H new ATOM 0 HG3 PRO A 643 1.355 -4.815 10.795 1.00 1.43 H new ATOM 0 HD2 PRO A 643 0.464 -6.280 8.496 1.00 3.25 H new ATOM 0 HD3 PRO A 643 0.306 -6.764 10.173 1.00 3.25 H new ATOM 1612 N GLN A 644 -1.628 -4.271 7.182 1.00 14.34 N ATOM 1613 CA GLN A 644 -1.928 -3.776 5.849 1.00 30.52 C ATOM 1614 C GLN A 644 -3.301 -4.275 5.394 1.00 20.33 C ATOM 1615 O GLN A 644 -3.872 -3.749 4.441 1.00 51.43 O ATOM 1616 CB GLN A 644 -0.839 -4.185 4.855 1.00 32.53 C ATOM 1617 CG GLN A 644 0.525 -4.276 5.543 1.00 52.44 C ATOM 1618 CD GLN A 644 1.656 -4.317 4.513 1.00 11.00 C ATOM 1619 OE1 GLN A 644 2.150 -3.300 4.054 1.00 21.14 O ATOM 1620 NE2 GLN A 644 2.037 -5.546 4.177 1.00 73.11 N ATOM 0 H GLN A 644 -1.110 -5.149 7.205 1.00 14.34 H new ATOM 0 HA GLN A 644 -1.952 -2.687 5.884 1.00 30.52 H new ATOM 0 HB2 GLN A 644 -1.091 -5.148 4.410 1.00 32.53 H new ATOM 0 HB3 GLN A 644 -0.793 -3.460 4.042 1.00 32.53 H new ATOM 0 HG2 GLN A 644 0.661 -3.420 6.204 1.00 52.44 H new ATOM 0 HG3 GLN A 644 0.563 -5.169 6.166 1.00 52.44 H new ATOM 0 HE21 GLN A 644 1.581 -6.355 4.600 1.00 73.11 H new ATOM 0 HE22 GLN A 644 2.785 -5.680 3.497 1.00 73.11 H new ATOM 1629 N GLY A 645 -3.791 -5.285 6.098 1.00 72.31 N ATOM 1630 CA GLY A 645 -5.086 -5.861 5.778 1.00 34.23 C ATOM 1631 C GLY A 645 -5.027 -7.390 5.800 1.00 13.10 C ATOM 1632 O GLY A 645 -4.106 -7.987 5.245 1.00 0.03 O ATOM 0 H GLY A 645 -3.315 -5.719 6.889 1.00 72.31 H new ATOM 0 HA2 GLY A 645 -5.830 -5.512 6.494 1.00 34.23 H new ATOM 0 HA3 GLY A 645 -5.406 -5.520 4.794 1.00 34.23 H new ATOM 1636 N ARG A 646 -6.022 -7.980 6.447 1.00 51.44 N ATOM 1637 CA ARG A 646 -6.095 -9.427 6.548 1.00 62.31 C ATOM 1638 C ARG A 646 -5.846 -10.068 5.181 1.00 23.21 C ATOM 1639 O ARG A 646 -6.122 -9.462 4.147 1.00 14.45 O ATOM 1640 CB ARG A 646 -7.461 -9.875 7.072 1.00 2.30 C ATOM 1641 CG ARG A 646 -7.447 -10.006 8.596 1.00 21.34 C ATOM 1642 CD ARG A 646 -8.870 -10.097 9.152 1.00 44.11 C ATOM 1643 NE ARG A 646 -9.654 -8.915 8.730 1.00 2.32 N ATOM 1644 CZ ARG A 646 -9.574 -7.704 9.322 1.00 54.45 C ATOM 1645 NH1 ARG A 646 -8.744 -7.505 10.367 1.00 45.32 N ATOM 1646 NH2 ARG A 646 -10.321 -6.717 8.862 1.00 35.04 N ATOM 0 H ARG A 646 -6.784 -7.481 6.906 1.00 51.44 H new ATOM 0 HA ARG A 646 -5.326 -9.749 7.250 1.00 62.31 H new ATOM 0 HB2 ARG A 646 -8.223 -9.156 6.772 1.00 2.30 H new ATOM 0 HB3 ARG A 646 -7.731 -10.831 6.624 1.00 2.30 H new ATOM 0 HG2 ARG A 646 -6.883 -10.894 8.883 1.00 21.34 H new ATOM 0 HG3 ARG A 646 -6.936 -9.148 9.034 1.00 21.34 H new ATOM 0 HD2 ARG A 646 -9.351 -11.008 8.797 1.00 44.11 H new ATOM 0 HD3 ARG A 646 -8.841 -10.155 10.240 1.00 44.11 H new ATOM 0 HE ARG A 646 -10.294 -9.022 7.943 1.00 2.32 H new ATOM 0 HH11 ARG A 646 -8.170 -8.273 10.716 1.00 45.32 H new ATOM 0 HH12 ARG A 646 -8.690 -6.587 10.808 1.00 45.32 H new ATOM 0 HH21 ARG A 646 -10.946 -6.876 8.072 1.00 35.04 H new ATOM 0 HH22 ARG A 646 -10.273 -5.796 9.297 1.00 35.04 H new ATOM 1659 N ILE A 647 -5.326 -11.286 5.220 1.00 30.32 N ATOM 1660 CA ILE A 647 -5.037 -12.016 3.998 1.00 64.15 C ATOM 1661 C ILE A 647 -5.478 -13.472 4.161 1.00 2.11 C ATOM 1662 O ILE A 647 -5.217 -14.092 5.191 1.00 4.50 O ATOM 1663 CB ILE A 647 -3.563 -11.859 3.616 1.00 73.21 C ATOM 1664 CG1 ILE A 647 -3.241 -10.406 3.260 1.00 22.50 C ATOM 1665 CG2 ILE A 647 -3.183 -12.823 2.490 1.00 22.24 C ATOM 1666 CD1 ILE A 647 -1.830 -10.030 3.717 1.00 62.33 C ATOM 0 H ILE A 647 -5.097 -11.786 6.079 1.00 30.32 H new ATOM 0 HA ILE A 647 -5.605 -11.602 3.165 1.00 64.15 H new ATOM 0 HB ILE A 647 -2.955 -12.120 4.482 1.00 73.21 H new ATOM 0 HG12 ILE A 647 -3.328 -10.264 2.183 1.00 22.50 H new ATOM 0 HG13 ILE A 647 -3.968 -9.743 3.729 1.00 22.50 H new ATOM 0 HG21 ILE A 647 -2.131 -12.691 2.238 1.00 22.24 H new ATOM 0 HG22 ILE A 647 -3.352 -13.849 2.817 1.00 22.24 H new ATOM 0 HG23 ILE A 647 -3.795 -12.617 1.612 1.00 22.24 H new ATOM 0 HD11 ILE A 647 -1.626 -8.993 3.452 1.00 62.33 H new ATOM 0 HD12 ILE A 647 -1.753 -10.150 4.798 1.00 62.33 H new ATOM 0 HD13 ILE A 647 -1.104 -10.679 3.227 1.00 62.33 H new ATOM 1678 N GLN A 648 -6.139 -13.976 3.130 1.00 52.25 N ATOM 1679 CA GLN A 648 -6.619 -15.347 3.146 1.00 73.11 C ATOM 1680 C GLN A 648 -6.284 -16.043 1.825 1.00 54.52 C ATOM 1681 O GLN A 648 -6.764 -15.638 0.767 1.00 11.41 O ATOM 1682 CB GLN A 648 -8.122 -15.399 3.427 1.00 53.41 C ATOM 1683 CG GLN A 648 -8.488 -16.650 4.228 1.00 3.22 C ATOM 1684 CD GLN A 648 -7.931 -17.910 3.562 1.00 54.43 C ATOM 1685 OE1 GLN A 648 -6.777 -18.270 3.722 1.00 2.23 O ATOM 1686 NE2 GLN A 648 -8.814 -18.557 2.807 1.00 74.31 N ATOM 0 H GLN A 648 -6.354 -13.459 2.277 1.00 52.25 H new ATOM 0 HA GLN A 648 -6.113 -15.878 3.952 1.00 73.11 H new ATOM 0 HB2 GLN A 648 -8.423 -14.509 3.979 1.00 53.41 H new ATOM 0 HB3 GLN A 648 -8.672 -15.392 2.486 1.00 53.41 H new ATOM 0 HG2 GLN A 648 -8.095 -16.566 5.241 1.00 3.22 H new ATOM 0 HG3 GLN A 648 -9.572 -16.728 4.313 1.00 3.22 H new ATOM 0 HE21 GLN A 648 -9.765 -18.201 2.716 1.00 74.31 H new ATOM 0 HE22 GLN A 648 -8.540 -19.410 2.319 1.00 74.31 H new ATOM 1695 N ALA A 649 -5.463 -17.077 1.929 1.00 35.20 N ATOM 1696 CA ALA A 649 -5.059 -17.833 0.756 1.00 42.34 C ATOM 1697 C ALA A 649 -5.360 -19.316 0.980 1.00 10.25 C ATOM 1698 O ALA A 649 -5.359 -19.788 2.116 1.00 10.13 O ATOM 1699 CB ALA A 649 -3.578 -17.575 0.468 1.00 33.52 C ATOM 0 H ALA A 649 -5.066 -17.409 2.808 1.00 35.20 H new ATOM 0 HA ALA A 649 -5.623 -17.512 -0.120 1.00 42.34 H new ATOM 0 HB1 ALA A 649 -3.274 -18.142 -0.412 1.00 33.52 H new ATOM 0 HB2 ALA A 649 -3.423 -16.512 0.286 1.00 33.52 H new ATOM 0 HB3 ALA A 649 -2.981 -17.887 1.325 1.00 33.52 H new ATOM 1705 N LYS A 650 -5.611 -20.009 -0.120 1.00 64.42 N ATOM 1706 CA LYS A 650 -5.913 -21.429 -0.058 1.00 22.34 C ATOM 1707 C LYS A 650 -4.628 -22.230 -0.279 1.00 71.05 C ATOM 1708 O LYS A 650 -4.663 -23.457 -0.355 1.00 64.23 O ATOM 1709 CB LYS A 650 -7.034 -21.782 -1.037 1.00 33.13 C ATOM 1710 CG LYS A 650 -8.004 -20.611 -1.204 1.00 55.13 C ATOM 1711 CD LYS A 650 -9.401 -21.106 -1.587 1.00 64.01 C ATOM 1712 CE LYS A 650 -10.439 -19.993 -1.432 1.00 2.04 C ATOM 1713 NZ LYS A 650 -10.864 -19.875 -0.019 1.00 1.51 N ATOM 0 H LYS A 650 -5.612 -19.614 -1.060 1.00 64.42 H new ATOM 0 HA LYS A 650 -6.289 -21.695 0.930 1.00 22.34 H new ATOM 0 HB2 LYS A 650 -6.607 -22.046 -2.004 1.00 33.13 H new ATOM 0 HB3 LYS A 650 -7.574 -22.658 -0.677 1.00 33.13 H new ATOM 0 HG2 LYS A 650 -8.058 -20.043 -0.275 1.00 55.13 H new ATOM 0 HG3 LYS A 650 -7.632 -19.932 -1.971 1.00 55.13 H new ATOM 0 HD2 LYS A 650 -9.395 -21.461 -2.617 1.00 64.01 H new ATOM 0 HD3 LYS A 650 -9.675 -21.954 -0.959 1.00 64.01 H new ATOM 0 HE2 LYS A 650 -10.020 -19.046 -1.772 1.00 2.04 H new ATOM 0 HE3 LYS A 650 -11.303 -20.203 -2.062 1.00 2.04 H new ATOM 0 HZ1 LYS A 650 -11.569 -19.115 0.069 1.00 1.51 H new ATOM 0 HZ2 LYS A 650 -11.283 -20.774 0.294 1.00 1.51 H new ATOM 0 HZ3 LYS A 650 -10.039 -19.653 0.574 1.00 1.51 H new ATOM 1726 N LYS A 651 -3.525 -21.503 -0.377 1.00 41.24 N ATOM 1727 CA LYS A 651 -2.231 -22.130 -0.589 1.00 74.01 C ATOM 1728 C LYS A 651 -1.166 -21.372 0.205 1.00 43.43 C ATOM 1729 O LYS A 651 -1.215 -20.147 0.304 1.00 13.41 O ATOM 1730 CB LYS A 651 -1.926 -22.236 -2.084 1.00 45.44 C ATOM 1731 CG LYS A 651 -2.441 -23.557 -2.658 1.00 23.45 C ATOM 1732 CD LYS A 651 -1.585 -24.733 -2.180 1.00 40.53 C ATOM 1733 CE LYS A 651 -0.359 -24.918 -3.077 1.00 74.00 C ATOM 1734 NZ LYS A 651 0.804 -24.191 -2.522 1.00 10.23 N ATOM 0 H LYS A 651 -3.500 -20.485 -0.314 1.00 41.24 H new ATOM 0 HA LYS A 651 -2.238 -23.154 -0.216 1.00 74.01 H new ATOM 0 HB2 LYS A 651 -2.387 -21.402 -2.613 1.00 45.44 H new ATOM 0 HB3 LYS A 651 -0.851 -22.160 -2.245 1.00 45.44 H new ATOM 0 HG2 LYS A 651 -3.477 -23.710 -2.356 1.00 23.45 H new ATOM 0 HG3 LYS A 651 -2.430 -23.513 -3.747 1.00 23.45 H new ATOM 0 HD2 LYS A 651 -1.266 -24.561 -1.152 1.00 40.53 H new ATOM 0 HD3 LYS A 651 -2.181 -25.645 -2.180 1.00 40.53 H new ATOM 0 HE2 LYS A 651 -0.123 -25.978 -3.167 1.00 74.00 H new ATOM 0 HE3 LYS A 651 -0.577 -24.554 -4.081 1.00 74.00 H new ATOM 0 HZ1 LYS A 651 1.276 -23.660 -3.281 1.00 10.23 H new ATOM 0 HZ2 LYS A 651 0.482 -23.530 -1.787 1.00 10.23 H new ATOM 0 HZ3 LYS A 651 1.473 -24.871 -2.107 1.00 10.23 H new ATOM 1747 N TRP A 652 -0.227 -22.131 0.749 1.00 21.44 N ATOM 1748 CA TRP A 652 0.849 -21.546 1.531 1.00 21.32 C ATOM 1749 C TRP A 652 1.810 -20.850 0.566 1.00 64.02 C ATOM 1750 O TRP A 652 2.621 -20.023 0.980 1.00 1.02 O ATOM 1751 CB TRP A 652 1.535 -22.604 2.398 1.00 35.13 C ATOM 1752 CG TRP A 652 0.585 -23.347 3.341 1.00 43.41 C ATOM 1753 CD1 TRP A 652 -0.311 -24.294 3.032 1.00 41.44 C ATOM 1754 CD2 TRP A 652 0.474 -23.164 4.768 1.00 12.12 C ATOM 1755 NE1 TRP A 652 -0.989 -24.733 4.150 1.00 12.14 N ATOM 1756 CE2 TRP A 652 -0.497 -24.024 5.240 1.00 64.10 C ATOM 1757 CE3 TRP A 652 1.170 -22.301 5.632 1.00 3.51 C ATOM 1758 CZ2 TRP A 652 -0.859 -24.105 6.590 1.00 51.32 C ATOM 1759 CZ3 TRP A 652 0.796 -22.393 6.978 1.00 23.21 C ATOM 1760 CH2 TRP A 652 -0.179 -23.254 7.469 1.00 43.31 C ATOM 0 H TRP A 652 -0.189 -23.147 0.664 1.00 21.44 H new ATOM 0 HA TRP A 652 0.459 -20.805 2.229 1.00 21.32 H new ATOM 0 HB2 TRP A 652 2.026 -23.329 1.749 1.00 35.13 H new ATOM 0 HB3 TRP A 652 2.316 -22.125 2.989 1.00 35.13 H new ATOM 0 HD1 TRP A 652 -0.481 -24.667 2.033 1.00 41.44 H new ATOM 0 HE1 TRP A 652 -1.717 -25.447 4.173 1.00 12.14 H new ATOM 0 HE3 TRP A 652 1.933 -21.620 5.285 1.00 3.51 H new ATOM 0 HZ2 TRP A 652 -1.622 -24.787 6.935 1.00 51.32 H new ATOM 0 HZ3 TRP A 652 1.300 -21.750 7.684 1.00 23.21 H new ATOM 0 HH2 TRP A 652 -0.411 -23.266 8.524 1.00 43.31 H new ATOM 1771 N SER A 653 1.688 -21.210 -0.703 1.00 62.42 N ATOM 1772 CA SER A 653 2.536 -20.631 -1.731 1.00 2.31 C ATOM 1773 C SER A 653 2.270 -19.128 -1.842 1.00 65.03 C ATOM 1774 O SER A 653 3.031 -18.406 -2.485 1.00 54.50 O ATOM 1775 CB SER A 653 2.308 -21.312 -3.082 1.00 1.41 C ATOM 1776 OG SER A 653 3.154 -22.445 -3.258 1.00 43.53 O ATOM 0 H SER A 653 1.014 -21.896 -1.043 1.00 62.42 H new ATOM 0 HA SER A 653 3.576 -20.790 -1.446 1.00 2.31 H new ATOM 0 HB2 SER A 653 1.266 -21.622 -3.161 1.00 1.41 H new ATOM 0 HB3 SER A 653 2.489 -20.596 -3.884 1.00 1.41 H new ATOM 0 HG SER A 653 2.977 -22.853 -4.131 1.00 43.53 H new ATOM 1782 N ARG A 654 1.189 -18.702 -1.206 1.00 61.13 N ATOM 1783 CA ARG A 654 0.814 -17.298 -1.226 1.00 34.52 C ATOM 1784 C ARG A 654 1.087 -16.657 0.136 1.00 12.11 C ATOM 1785 O ARG A 654 1.281 -15.446 0.228 1.00 41.22 O ATOM 1786 CB ARG A 654 -0.667 -17.129 -1.574 1.00 23.22 C ATOM 1787 CG ARG A 654 -1.149 -18.261 -2.484 1.00 43.52 C ATOM 1788 CD ARG A 654 -0.333 -18.308 -3.778 1.00 33.40 C ATOM 1789 NE ARG A 654 -1.007 -19.177 -4.769 1.00 21.11 N ATOM 1790 CZ ARG A 654 -2.009 -18.769 -5.576 1.00 14.04 C ATOM 1791 NH1 ARG A 654 -2.464 -17.499 -5.515 1.00 62.21 N ATOM 1792 NH2 ARG A 654 -2.539 -19.630 -6.424 1.00 61.24 N ATOM 0 H ARG A 654 0.561 -19.304 -0.674 1.00 61.13 H new ATOM 0 HA ARG A 654 1.414 -16.805 -1.991 1.00 34.52 H new ATOM 0 HB2 ARG A 654 -1.260 -17.115 -0.659 1.00 23.22 H new ATOM 0 HB3 ARG A 654 -0.821 -16.170 -2.068 1.00 23.22 H new ATOM 0 HG2 ARG A 654 -1.064 -19.214 -1.961 1.00 43.52 H new ATOM 0 HG3 ARG A 654 -2.204 -18.119 -2.720 1.00 43.52 H new ATOM 0 HD2 ARG A 654 -0.218 -17.302 -4.182 1.00 33.40 H new ATOM 0 HD3 ARG A 654 0.669 -18.685 -3.573 1.00 33.40 H new ATOM 0 HE ARG A 654 -0.695 -20.145 -4.847 1.00 21.11 H new ATOM 0 HH11 ARG A 654 -2.050 -16.840 -4.856 1.00 62.21 H new ATOM 0 HH12 ARG A 654 -3.222 -17.199 -6.128 1.00 62.21 H new ATOM 0 HH21 ARG A 654 -2.191 -20.588 -6.463 1.00 61.24 H new ATOM 0 HH22 ARG A 654 -3.297 -19.338 -7.041 1.00 61.24 H new ATOM 1805 N VAL A 655 1.093 -17.498 1.160 1.00 10.30 N ATOM 1806 CA VAL A 655 1.339 -17.028 2.513 1.00 42.32 C ATOM 1807 C VAL A 655 2.449 -15.975 2.488 1.00 24.22 C ATOM 1808 O VAL A 655 3.540 -16.230 1.981 1.00 63.14 O ATOM 1809 CB VAL A 655 1.658 -18.212 3.428 1.00 10.41 C ATOM 1810 CG1 VAL A 655 2.550 -17.779 4.593 1.00 2.02 C ATOM 1811 CG2 VAL A 655 0.375 -18.873 3.936 1.00 41.11 C ATOM 0 H VAL A 655 0.931 -18.502 1.080 1.00 10.30 H new ATOM 0 HA VAL A 655 0.448 -16.551 2.920 1.00 42.32 H new ATOM 0 HB VAL A 655 2.206 -18.950 2.843 1.00 10.41 H new ATOM 0 HG11 VAL A 655 2.762 -18.639 5.228 1.00 2.02 H new ATOM 0 HG12 VAL A 655 3.485 -17.375 4.205 1.00 2.02 H new ATOM 0 HG13 VAL A 655 2.039 -17.014 5.177 1.00 2.02 H new ATOM 0 HG21 VAL A 655 0.630 -19.712 4.584 1.00 41.11 H new ATOM 0 HG22 VAL A 655 -0.211 -18.146 4.497 1.00 41.11 H new ATOM 0 HG23 VAL A 655 -0.209 -19.233 3.089 1.00 41.11 H new ATOM 1821 N PRO A 656 2.124 -14.784 3.058 1.00 44.33 N ATOM 1822 CA PRO A 656 3.081 -13.691 3.106 1.00 64.41 C ATOM 1823 C PRO A 656 4.152 -13.947 4.169 1.00 50.13 C ATOM 1824 O PRO A 656 5.345 -13.838 3.891 1.00 24.34 O ATOM 1825 CB PRO A 656 2.249 -12.451 3.387 1.00 30.22 C ATOM 1826 CG PRO A 656 0.927 -12.954 3.945 1.00 5.14 C ATOM 1827 CD PRO A 656 0.842 -14.446 3.669 1.00 41.04 C ATOM 0 HA PRO A 656 3.637 -13.578 2.176 1.00 64.41 H new ATOM 0 HB2 PRO A 656 2.751 -11.797 4.101 1.00 30.22 H new ATOM 0 HB3 PRO A 656 2.094 -11.871 2.478 1.00 30.22 H new ATOM 0 HG2 PRO A 656 0.866 -12.760 5.016 1.00 5.14 H new ATOM 0 HG3 PRO A 656 0.092 -12.431 3.478 1.00 5.14 H new ATOM 0 HD2 PRO A 656 0.680 -15.010 4.588 1.00 41.04 H new ATOM 0 HD3 PRO A 656 0.012 -14.679 3.002 1.00 41.04 H new ATOM 1835 N PHE A 657 3.686 -14.282 5.363 1.00 5.52 N ATOM 1836 CA PHE A 657 4.589 -14.553 6.469 1.00 62.41 C ATOM 1837 C PHE A 657 5.466 -15.772 6.174 1.00 33.42 C ATOM 1838 O PHE A 657 5.051 -16.681 5.456 1.00 14.13 O ATOM 1839 CB PHE A 657 3.720 -14.849 7.693 1.00 4.22 C ATOM 1840 CG PHE A 657 3.082 -16.239 7.682 1.00 32.21 C ATOM 1841 CD1 PHE A 657 3.782 -17.313 8.137 1.00 12.31 C ATOM 1842 CD2 PHE A 657 1.814 -16.401 7.217 1.00 31.44 C ATOM 1843 CE1 PHE A 657 3.189 -18.603 8.127 1.00 61.01 C ATOM 1844 CE2 PHE A 657 1.221 -17.692 7.207 1.00 2.32 C ATOM 1845 CZ PHE A 657 1.921 -18.765 7.662 1.00 22.22 C ATOM 0 H PHE A 657 2.695 -14.372 5.589 1.00 5.52 H new ATOM 0 HA PHE A 657 5.245 -13.698 6.633 1.00 62.41 H new ATOM 0 HB2 PHE A 657 4.329 -14.747 8.591 1.00 4.22 H new ATOM 0 HB3 PHE A 657 2.931 -14.099 7.756 1.00 4.22 H new ATOM 0 HD1 PHE A 657 4.789 -17.184 8.506 1.00 12.31 H new ATOM 0 HD2 PHE A 657 1.258 -15.548 6.856 1.00 31.44 H new ATOM 0 HE1 PHE A 657 3.745 -19.456 8.489 1.00 61.01 H new ATOM 0 HE2 PHE A 657 0.214 -17.821 6.838 1.00 2.32 H new ATOM 0 HZ PHE A 657 1.470 -19.746 7.654 1.00 22.22 H new ATOM 1855 N SER A 658 6.662 -15.753 6.743 1.00 11.34 N ATOM 1856 CA SER A 658 7.601 -16.845 6.551 1.00 75.03 C ATOM 1857 C SER A 658 7.292 -17.979 7.530 1.00 74.31 C ATOM 1858 O SER A 658 6.910 -17.731 8.673 1.00 62.03 O ATOM 1859 CB SER A 658 9.044 -16.369 6.728 1.00 14.11 C ATOM 1860 OG SER A 658 9.114 -15.126 7.422 1.00 42.15 O ATOM 0 H SER A 658 7.003 -14.998 7.338 1.00 11.34 H new ATOM 0 HA SER A 658 7.492 -17.214 5.531 1.00 75.03 H new ATOM 0 HB2 SER A 658 9.610 -17.123 7.276 1.00 14.11 H new ATOM 0 HB3 SER A 658 9.514 -16.265 5.750 1.00 14.11 H new ATOM 0 HG SER A 658 10.051 -14.857 7.517 1.00 42.15 H new ATOM 1866 N VAL A 659 7.468 -19.200 7.046 1.00 32.12 N ATOM 1867 CA VAL A 659 7.213 -20.373 7.864 1.00 34.45 C ATOM 1868 C VAL A 659 8.491 -21.209 7.964 1.00 52.55 C ATOM 1869 O VAL A 659 8.775 -22.021 7.085 1.00 45.21 O ATOM 1870 CB VAL A 659 6.028 -21.159 7.298 1.00 12.43 C ATOM 1871 CG1 VAL A 659 5.348 -21.988 8.390 1.00 52.43 C ATOM 1872 CG2 VAL A 659 5.027 -20.224 6.616 1.00 71.35 C ATOM 0 H VAL A 659 7.784 -19.402 6.098 1.00 32.12 H new ATOM 0 HA VAL A 659 6.937 -20.079 8.877 1.00 34.45 H new ATOM 0 HB VAL A 659 6.411 -21.848 6.545 1.00 12.43 H new ATOM 0 HG11 VAL A 659 4.509 -22.537 7.961 1.00 52.43 H new ATOM 0 HG12 VAL A 659 6.065 -22.692 8.812 1.00 52.43 H new ATOM 0 HG13 VAL A 659 4.985 -21.326 9.176 1.00 52.43 H new ATOM 0 HG21 VAL A 659 4.194 -20.807 6.222 1.00 71.35 H new ATOM 0 HG22 VAL A 659 4.653 -19.501 7.340 1.00 71.35 H new ATOM 0 HG23 VAL A 659 5.520 -19.697 5.799 1.00 71.35 H new ATOM 1882 N PRO A 660 9.246 -20.974 9.070 1.00 43.13 N ATOM 1883 CA PRO A 660 10.487 -21.695 9.295 1.00 24.01 C ATOM 1884 C PRO A 660 10.213 -23.132 9.745 1.00 41.43 C ATOM 1885 O PRO A 660 9.219 -23.396 10.419 1.00 55.44 O ATOM 1886 CB PRO A 660 11.233 -20.878 10.338 1.00 62.43 C ATOM 1887 CG PRO A 660 10.190 -19.991 10.996 1.00 12.52 C ATOM 1888 CD PRO A 660 8.940 -20.019 10.131 1.00 23.43 C ATOM 0 HA PRO A 660 11.083 -21.799 8.388 1.00 24.01 H new ATOM 0 HB2 PRO A 660 11.713 -21.526 11.071 1.00 62.43 H new ATOM 0 HB3 PRO A 660 12.019 -20.280 9.877 1.00 62.43 H new ATOM 0 HG2 PRO A 660 9.966 -20.347 12.002 1.00 12.52 H new ATOM 0 HG3 PRO A 660 10.563 -18.972 11.094 1.00 12.52 H new ATOM 0 HD2 PRO A 660 8.068 -20.331 10.705 1.00 23.43 H new ATOM 0 HD3 PRO A 660 8.718 -19.033 9.724 1.00 23.43 H new ATOM 1896 N ASP A 661 11.113 -24.022 9.354 1.00 72.12 N ATOM 1897 CA ASP A 661 10.980 -25.425 9.708 1.00 3.03 C ATOM 1898 C ASP A 661 10.974 -25.563 11.232 1.00 32.10 C ATOM 1899 O ASP A 661 11.362 -24.639 11.944 1.00 2.53 O ATOM 1900 CB ASP A 661 12.153 -26.244 9.164 1.00 12.45 C ATOM 1901 CG ASP A 661 13.537 -25.659 9.450 1.00 5.32 C ATOM 1902 OD1 ASP A 661 13.772 -25.061 10.511 1.00 31.43 O ATOM 1903 OD2 ASP A 661 14.409 -25.839 8.516 1.00 13.11 O ATOM 0 H ASP A 661 11.937 -23.799 8.796 1.00 72.12 H new ATOM 0 HA ASP A 661 10.050 -25.795 9.276 1.00 3.03 H new ATOM 0 HB2 ASP A 661 12.104 -27.247 9.588 1.00 12.45 H new ATOM 0 HB3 ASP A 661 12.035 -26.348 8.085 1.00 12.45 H new ATOM 1909 N PHE A 662 10.528 -26.725 11.687 1.00 4.11 N ATOM 1910 CA PHE A 662 10.466 -26.996 13.113 1.00 2.13 C ATOM 1911 C PHE A 662 11.849 -27.350 13.665 1.00 73.11 C ATOM 1912 O PHE A 662 12.474 -28.309 13.214 1.00 12.23 O ATOM 1913 CB PHE A 662 9.533 -28.194 13.301 1.00 42.14 C ATOM 1914 CG PHE A 662 9.343 -28.612 14.760 1.00 14.10 C ATOM 1915 CD1 PHE A 662 10.188 -29.516 15.324 1.00 13.35 C ATOM 1916 CD2 PHE A 662 8.328 -28.080 15.493 1.00 51.22 C ATOM 1917 CE1 PHE A 662 10.011 -29.904 16.679 1.00 52.41 C ATOM 1918 CE2 PHE A 662 8.151 -28.468 16.847 1.00 11.23 C ATOM 1919 CZ PHE A 662 8.996 -29.372 17.412 1.00 41.43 C ATOM 0 H PHE A 662 10.206 -27.489 11.093 1.00 4.11 H new ATOM 0 HA PHE A 662 10.107 -26.114 13.644 1.00 2.13 H new ATOM 0 HB2 PHE A 662 8.560 -27.954 12.873 1.00 42.14 H new ATOM 0 HB3 PHE A 662 9.928 -29.041 12.740 1.00 42.14 H new ATOM 0 HD1 PHE A 662 10.993 -29.939 14.742 1.00 13.35 H new ATOM 0 HD2 PHE A 662 7.657 -27.362 15.045 1.00 51.22 H new ATOM 0 HE1 PHE A 662 10.682 -30.621 17.127 1.00 52.41 H new ATOM 0 HE2 PHE A 662 7.345 -28.045 17.429 1.00 11.23 H new ATOM 0 HZ PHE A 662 8.861 -29.667 18.442 1.00 41.43 H new