USER MOD reduce.3.24.130724 H: found=0, std=0, add=1347, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1170 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: B 671 HIS : no HD1:sc= 0 X(o=0.25,f=0.19) USER MOD Set 1.2: B 674 SER OG : rot -57:sc= 0.25 USER MOD Set 2.1: A 75 ASN :FLIP amide:sc= 0.126 F(o=-1.5,f=0.015) USER MOD Set 2.2: B 648 THR OG1 : rot -160:sc= -0.111 USER MOD Set 3.1: B 637 GLN : amide:sc= -0.471 K(o=-2.5,f=-3.5) USER MOD Set 3.2: B 641 GLN : amide:sc= -1.99 K(o=-2.5,f=-3!) USER MOD Set 4.1: B 615 HIS :FLIP no HD1:sc= -0.27 F(o=-2.5,f=-1.4) USER MOD Set 4.2: B 677 HIS :FLIP no HD1:sc= -1.08 X(o=-1.4,f=-1.4) USER MOD Set 5.1: A 66 ASN :FLIP amide:sc= -0.0108 F(o=0.69,f=1.3) USER MOD Set 5.2: A 67 THR OG1 : rot 104:sc= 1.33 USER MOD Set 6.1: A 31 GLN : amide:sc= -0.525 X(o=-0.38,f=-0.23) USER MOD Set 6.2: A 34 GLN : amide:sc= 0.145 X(o=-0.38,f=-0.24) USER MOD Set 7.1: A 25 MET CE :methyl 176:sc= -4.36! (180deg=-4.57!) USER MOD Set 7.2: B 663 MET CE :methyl 175:sc= -3.59 (180deg=-3.21) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0 (180deg=-0.341) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.0069) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.21) USER MOD Single : A 16 SER OG : rot 123:sc= 1.01 USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= -0.0215 (180deg=-1.32) USER MOD Single : A 27 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 28 THR OG1 : rot -130:sc= -0.109 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -59:sc= 0.657 USER MOD Single : A 40 GLN :FLIP amide:sc= 0.356 F(o=-0.6,f=0.36) USER MOD Single : A 43 HIS : no HD1:sc=-0.00995 X(o=-0.0099,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0854 X(o=-0.085,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 48 SER OG : rot 180:sc=-0.000396 USER MOD Single : A 52 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.131 F(o=-0.88,f=-0.13) USER MOD Single : A 64 LYS NZ :NH3+ 167:sc= -0.0937 (180deg=-0.321) USER MOD Single : A 73 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.5!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -53:sc= 0.335 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B 601 SER OG : rot 25:sc= 0.0191 USER MOD Single : B 602 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 603 SER OG : rot 180:sc= 0 USER MOD Single : B 604 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 606 MET CE :methyl 156:sc= -0.0171 (180deg=-0.483) USER MOD Single : B 607 TYR OH : rot 180:sc= 0 USER MOD Single : B 608 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 609 TYR OH : rot 180:sc= 0 USER MOD Single : B 612 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 619 MET CE :methyl 148:sc= -0.0101 (180deg=-0.0765) USER MOD Single : B 622 TYR OH : rot 180:sc= 0 USER MOD Single : B 625 THR OG1 : rot 83:sc= 1.25 USER MOD Single : B 627 GLN : amide:sc= -0.0985 K(o=-0.098,f=-0.76) USER MOD Single : B 628 SER OG : rot 180:sc= 0 USER MOD Single : B 642 SER OG : rot 180:sc= 0 USER MOD Single : B 645 GLN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : B 651 THR OG1 : rot 180:sc= 0 USER MOD Single : B 652 TYR OH : rot 180:sc= 0 USER MOD Single : B 653 GLN : amide:sc= -0.799 K(o=-0.8,f=-3.6!) USER MOD Single : B 656 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 658 GLN : amide:sc= -3.31! C(o=-3.3!,f=-3.3!) USER MOD Single : B 660 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 661 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 670 TYR OH : rot 180:sc= 0 USER MOD Single : B 673 MET CE :methyl 154:sc= -0.011 (180deg=-0.807) USER MOD Single : B 675 SER OG : rot 180:sc= 0 USER MOD Single : B 676 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : B 680 ASN : amide:sc= -0.0968 K(o=-0.097,f=-0.75) USER MOD Single : B 681 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : B 682 MET CE :methyl -171:sc= -2.58 (180deg=-2.93) USER MOD Single : B 684 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 685 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 689 THR OG1 : rot 180:sc= 0 USER MOD Single : B 694 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.697 -46.274 18.294 1.00 0.00 N ATOM 2 CA MET A 1 2.423 -45.048 18.605 1.00 0.00 C ATOM 3 C MET A 1 1.925 -43.889 17.747 1.00 0.00 C ATOM 4 O MET A 1 2.712 -43.059 17.292 1.00 0.00 O ATOM 5 CB MET A 1 3.924 -45.251 18.389 1.00 0.00 C ATOM 6 CG MET A 1 4.267 -45.862 17.040 1.00 0.00 C ATOM 7 SD MET A 1 5.773 -45.173 16.327 1.00 0.00 S ATOM 8 CE MET A 1 6.279 -46.508 15.247 1.00 0.00 C ATOM 0 H1 MET A 1 2.233 -47.093 18.645 1.00 0.00 H new ATOM 0 H2 MET A 1 0.763 -46.250 18.750 1.00 0.00 H new ATOM 0 H3 MET A 1 1.577 -46.355 17.264 1.00 0.00 H new ATOM 0 HA MET A 1 2.244 -44.804 19.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.429 -44.290 18.482 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.313 -45.894 19.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.383 -46.940 17.153 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.437 -45.701 16.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.200 -46.231 14.733 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.449 -47.409 15.837 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.497 -46.698 14.512 1.00 0.00 H new ATOM 16 N SER A 2 0.614 -43.839 17.530 1.00 0.00 N ATOM 17 CA SER A 2 0.013 -42.784 16.723 1.00 0.00 C ATOM 18 C SER A 2 -0.265 -41.545 17.569 1.00 0.00 C ATOM 19 O SER A 2 -0.903 -41.626 18.619 1.00 0.00 O ATOM 20 CB SER A 2 -1.285 -43.280 16.083 1.00 0.00 C ATOM 21 OG SER A 2 -1.963 -42.225 15.421 1.00 0.00 O ATOM 0 H SER A 2 -0.052 -44.517 17.902 1.00 0.00 H new ATOM 0 HA SER A 2 0.718 -42.515 15.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.063 -44.076 15.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.932 -43.708 16.849 1.00 0.00 H new ATOM 0 HG SER A 2 -2.788 -42.568 15.019 1.00 0.00 H new ATOM 26 N LEU A 3 0.219 -40.399 17.104 1.00 0.00 N ATOM 27 CA LEU A 3 0.024 -39.141 17.816 1.00 0.00 C ATOM 28 C LEU A 3 -1.189 -38.391 17.275 1.00 0.00 C ATOM 29 O LEU A 3 -1.125 -37.765 16.216 1.00 0.00 O ATOM 30 CB LEU A 3 1.273 -38.266 17.698 1.00 0.00 C ATOM 31 CG LEU A 3 2.343 -38.473 18.770 1.00 0.00 C ATOM 32 CD1 LEU A 3 3.707 -38.048 18.252 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.987 -37.705 20.034 1.00 0.00 C ATOM 0 H LEU A 3 0.749 -40.315 16.237 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.153 -39.371 18.867 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.726 -38.444 16.723 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.963 -37.221 17.720 1.00 0.00 H new ATOM 0 HG LEU A 3 2.385 -39.535 19.014 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.456 -38.203 19.029 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.965 -38.643 17.376 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.680 -36.993 17.979 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.760 -37.864 20.786 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.916 -36.642 19.806 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.030 -38.058 20.417 1.00 0.00 H new ATOM 44 N LEU A 4 -2.294 -38.456 18.009 1.00 0.00 N ATOM 45 CA LEU A 4 -3.523 -37.782 17.605 1.00 0.00 C ATOM 46 C LEU A 4 -3.669 -36.442 18.318 1.00 0.00 C ATOM 47 O LEU A 4 -3.939 -36.392 19.518 1.00 0.00 O ATOM 48 CB LEU A 4 -4.735 -38.666 17.904 1.00 0.00 C ATOM 49 CG LEU A 4 -5.100 -39.691 16.830 1.00 0.00 C ATOM 50 CD1 LEU A 4 -6.059 -40.730 17.388 1.00 0.00 C ATOM 51 CD2 LEU A 4 -5.706 -39.000 15.617 1.00 0.00 C ATOM 0 H LEU A 4 -2.364 -38.969 18.888 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.471 -37.598 16.532 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.550 -39.198 18.837 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.598 -38.021 18.070 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.189 -40.200 16.516 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.308 -41.451 16.609 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.589 -41.247 18.225 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.969 -40.238 17.731 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.960 -39.745 14.863 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.607 -38.465 15.916 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.986 -38.295 15.202 1.00 0.00 H new ATOM 62 N ASP A 5 -3.488 -35.358 17.571 1.00 0.00 N ATOM 63 CA ASP A 5 -3.602 -34.017 18.131 1.00 0.00 C ATOM 64 C ASP A 5 -2.537 -33.779 19.196 1.00 0.00 C ATOM 65 O ASP A 5 -2.789 -33.947 20.389 1.00 0.00 O ATOM 66 CB ASP A 5 -4.994 -33.806 18.728 1.00 0.00 C ATOM 67 CG ASP A 5 -6.096 -34.325 17.826 1.00 0.00 C ATOM 68 OD1 ASP A 5 -6.364 -33.685 16.787 1.00 0.00 O ATOM 69 OD2 ASP A 5 -6.690 -35.373 18.157 1.00 0.00 O ATOM 0 H ASP A 5 -3.262 -35.382 16.577 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.449 -33.300 17.324 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.052 -34.309 19.693 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.150 -32.743 18.912 1.00 0.00 H new ATOM 73 N ALA A 6 -1.345 -33.389 18.758 1.00 0.00 N ATOM 74 CA ALA A 6 -0.241 -33.128 19.673 1.00 0.00 C ATOM 75 C ALA A 6 0.411 -31.781 19.377 1.00 0.00 C ATOM 76 O ALA A 6 0.498 -30.918 20.252 1.00 0.00 O ATOM 77 CB ALA A 6 0.789 -34.245 19.589 1.00 0.00 C ATOM 0 H ALA A 6 -1.119 -33.247 17.774 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.642 -33.093 20.686 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.608 -34.037 20.278 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.321 -35.192 19.857 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.177 -34.307 18.572 1.00 0.00 H new ATOM 83 N HIS A 7 0.868 -31.608 18.142 1.00 0.00 N ATOM 84 CA HIS A 7 1.512 -30.366 17.733 1.00 0.00 C ATOM 85 C HIS A 7 0.954 -29.878 16.398 1.00 0.00 C ATOM 86 O HIS A 7 1.649 -29.213 15.630 1.00 0.00 O ATOM 87 CB HIS A 7 3.025 -30.562 17.623 1.00 0.00 C ATOM 88 CG HIS A 7 3.815 -29.339 17.977 1.00 0.00 C ATOM 89 ND1 HIS A 7 5.027 -29.391 18.631 1.00 0.00 N ATOM 90 CD2 HIS A 7 3.559 -28.028 17.761 1.00 0.00 C ATOM 91 CE1 HIS A 7 5.483 -28.162 18.804 1.00 0.00 C ATOM 92 NE2 HIS A 7 4.611 -27.317 18.285 1.00 0.00 N ATOM 0 H HIS A 7 0.804 -32.312 17.407 1.00 0.00 H new ATOM 0 HA HIS A 7 1.304 -29.612 18.492 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.326 -31.381 18.277 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.271 -30.861 16.604 1.00 0.00 H new ATOM 0 HD2 HIS A 7 2.690 -27.617 17.269 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.411 -27.895 19.288 1.00 0.00 H new ATOM 0 HE2 HIS A 7 4.704 -26.301 18.275 1.00 0.00 H new ATOM 99 N ILE A 8 -0.303 -30.215 16.131 1.00 0.00 N ATOM 100 CA ILE A 8 -0.954 -29.811 14.890 1.00 0.00 C ATOM 101 C ILE A 8 -1.822 -28.575 15.102 1.00 0.00 C ATOM 102 O ILE A 8 -2.329 -28.322 16.195 1.00 0.00 O ATOM 103 CB ILE A 8 -1.824 -30.944 14.316 1.00 0.00 C ATOM 104 CG1 ILE A 8 -3.048 -31.177 15.206 1.00 0.00 C ATOM 105 CG2 ILE A 8 -1.010 -32.222 14.182 1.00 0.00 C ATOM 106 CD1 ILE A 8 -3.935 -32.307 14.730 1.00 0.00 C ATOM 0 H ILE A 8 -0.891 -30.766 16.756 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.161 -29.578 14.179 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.169 -30.650 13.324 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.714 -31.391 16.221 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.635 -30.259 15.251 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.639 -33.013 13.775 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.167 -32.048 13.513 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.639 -32.522 15.162 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.782 -32.415 15.408 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.299 -32.086 13.727 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.364 -33.235 14.712 1.00 0.00 H new ATOM 117 N PRO A 9 -2.000 -27.788 14.032 1.00 0.00 N ATOM 118 CA PRO A 9 -2.810 -26.566 14.074 1.00 0.00 C ATOM 119 C PRO A 9 -4.298 -26.862 14.227 1.00 0.00 C ATOM 120 O PRO A 9 -4.685 -27.977 14.573 1.00 0.00 O ATOM 121 CB PRO A 9 -2.532 -25.909 12.720 1.00 0.00 C ATOM 122 CG PRO A 9 -2.143 -27.035 11.824 1.00 0.00 C ATOM 123 CD PRO A 9 -1.426 -28.029 12.697 1.00 0.00 C ATOM 0 HA PRO A 9 -2.556 -25.938 14.928 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.414 -25.390 12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.735 -25.170 12.795 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.020 -27.485 11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.498 -26.687 11.017 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.598 -29.053 12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.348 -27.868 12.688 1.00 0.00 H new ATOM 128 N GLN A 10 -5.126 -25.856 13.967 1.00 0.00 N ATOM 129 CA GLN A 10 -6.572 -26.009 14.076 1.00 0.00 C ATOM 130 C GLN A 10 -7.285 -24.706 13.733 1.00 0.00 C ATOM 131 O GLN A 10 -7.047 -23.672 14.357 1.00 0.00 O ATOM 132 CB GLN A 10 -6.953 -26.456 15.489 1.00 0.00 C ATOM 133 CG GLN A 10 -7.986 -27.571 15.516 1.00 0.00 C ATOM 134 CD GLN A 10 -8.194 -28.141 16.905 1.00 0.00 C ATOM 135 OE1 GLN A 10 -9.324 -28.253 17.380 1.00 0.00 O ATOM 136 NE2 GLN A 10 -7.101 -28.504 17.566 1.00 0.00 N ATOM 0 H GLN A 10 -4.821 -24.926 13.679 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.886 -26.772 13.363 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.056 -26.790 16.010 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.341 -25.599 16.040 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.935 -27.191 15.138 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.671 -28.369 14.843 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.184 -28.394 17.134 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.179 -28.893 18.506 1.00 0.00 H new ATOM 143 N LEU A 11 -8.161 -24.761 12.736 1.00 0.00 N ATOM 144 CA LEU A 11 -8.910 -23.585 12.308 1.00 0.00 C ATOM 145 C LEU A 11 -7.967 -22.445 11.934 1.00 0.00 C ATOM 146 O LEU A 11 -8.337 -21.273 12.000 1.00 0.00 O ATOM 147 CB LEU A 11 -9.862 -23.131 13.417 1.00 0.00 C ATOM 148 CG LEU A 11 -11.188 -23.886 13.513 1.00 0.00 C ATOM 149 CD1 LEU A 11 -11.974 -23.753 12.218 1.00 0.00 C ATOM 150 CD2 LEU A 11 -10.945 -25.352 13.843 1.00 0.00 C ATOM 0 H LEU A 11 -8.370 -25.608 12.208 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.491 -23.856 11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.345 -23.222 14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.079 -22.073 13.272 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.776 -23.446 14.318 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.914 -24.297 12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.180 -22.700 12.024 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.391 -24.166 11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.900 -25.874 13.907 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.336 -25.805 13.061 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.425 -25.429 14.798 1.00 0.00 H new ATOM 161 N VAL A 12 -6.749 -22.799 11.538 1.00 0.00 N ATOM 162 CA VAL A 12 -5.753 -21.807 11.150 1.00 0.00 C ATOM 163 C VAL A 12 -5.833 -21.504 9.658 1.00 0.00 C ATOM 164 O VAL A 12 -5.518 -20.398 9.220 1.00 0.00 O ATOM 165 CB VAL A 12 -4.327 -22.278 11.492 1.00 0.00 C ATOM 166 CG1 VAL A 12 -4.200 -22.555 12.982 1.00 0.00 C ATOM 167 CG2 VAL A 12 -3.966 -23.512 10.679 1.00 0.00 C ATOM 0 H VAL A 12 -6.428 -23.765 11.477 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.972 -20.901 11.715 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.627 -21.483 11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.186 -22.887 13.205 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.415 -21.644 13.541 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.908 -23.333 13.269 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.955 -23.832 10.933 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.668 -24.315 10.905 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.016 -23.275 9.616 1.00 0.00 H new ATOM 177 N ALA A 13 -6.257 -22.495 8.880 1.00 0.00 N ATOM 178 CA ALA A 13 -6.380 -22.334 7.436 1.00 0.00 C ATOM 179 C ALA A 13 -7.841 -22.195 7.023 1.00 0.00 C ATOM 180 O ALA A 13 -8.186 -21.345 6.201 1.00 0.00 O ATOM 181 CB ALA A 13 -5.736 -23.510 6.717 1.00 0.00 C ATOM 0 H ALA A 13 -6.521 -23.418 9.226 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.860 -21.419 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.835 -23.376 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.680 -23.563 6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.231 -24.434 7.015 1.00 0.00 H new ATOM 187 N SER A 14 -8.698 -23.035 7.596 1.00 0.00 N ATOM 188 CA SER A 14 -10.121 -23.008 7.283 1.00 0.00 C ATOM 189 C SER A 14 -10.699 -21.613 7.501 1.00 0.00 C ATOM 190 O SER A 14 -11.605 -21.187 6.785 1.00 0.00 O ATOM 191 CB SER A 14 -10.874 -24.023 8.145 1.00 0.00 C ATOM 192 OG SER A 14 -10.776 -25.328 7.599 1.00 0.00 O ATOM 0 H SER A 14 -8.430 -23.743 8.280 1.00 0.00 H new ATOM 0 HA SER A 14 -10.241 -23.273 6.233 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.469 -24.017 9.157 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.922 -23.734 8.220 1.00 0.00 H new ATOM 0 HG SER A 14 -11.264 -25.959 8.169 1.00 0.00 H new ATOM 197 N GLN A 15 -10.168 -20.907 8.494 1.00 0.00 N ATOM 198 CA GLN A 15 -10.631 -19.560 8.806 1.00 0.00 C ATOM 199 C GLN A 15 -10.156 -18.563 7.753 1.00 0.00 C ATOM 200 O GLN A 15 -10.778 -17.521 7.548 1.00 0.00 O ATOM 201 CB GLN A 15 -10.134 -19.135 10.189 1.00 0.00 C ATOM 202 CG GLN A 15 -11.125 -19.418 11.306 1.00 0.00 C ATOM 203 CD GLN A 15 -12.389 -18.589 11.188 1.00 0.00 C ATOM 204 OE1 GLN A 15 -12.444 -17.451 11.654 1.00 0.00 O ATOM 205 NE2 GLN A 15 -13.413 -19.156 10.562 1.00 0.00 N ATOM 0 H GLN A 15 -9.417 -21.245 9.096 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.721 -19.568 8.806 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.199 -19.652 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.912 -18.068 10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.387 -20.476 11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.651 -19.217 12.267 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.324 -20.102 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.289 -18.646 10.452 1.00 0.00 H new ATOM 212 N SER A 16 -9.052 -18.891 7.090 1.00 0.00 N ATOM 213 CA SER A 16 -8.492 -18.023 6.061 1.00 0.00 C ATOM 214 C SER A 16 -8.055 -16.688 6.657 1.00 0.00 C ATOM 215 O SER A 16 -8.847 -15.752 6.758 1.00 0.00 O ATOM 216 CB SER A 16 -9.517 -17.788 4.950 1.00 0.00 C ATOM 217 OG SER A 16 -8.880 -17.628 3.694 1.00 0.00 O ATOM 0 H SER A 16 -8.528 -19.752 7.247 1.00 0.00 H new ATOM 0 HA SER A 16 -7.617 -18.517 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.209 -18.629 4.906 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.108 -16.901 5.177 1.00 0.00 H new ATOM 0 HG SER A 16 -9.224 -18.297 3.065 1.00 0.00 H new ATOM 222 N ALA A 17 -6.787 -16.609 7.048 1.00 0.00 N ATOM 223 CA ALA A 17 -6.242 -15.390 7.631 1.00 0.00 C ATOM 224 C ALA A 17 -5.986 -14.335 6.559 1.00 0.00 C ATOM 225 O ALA A 17 -6.021 -13.136 6.834 1.00 0.00 O ATOM 226 CB ALA A 17 -4.960 -15.695 8.390 1.00 0.00 C ATOM 0 H ALA A 17 -6.118 -17.375 6.971 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.978 -14.990 8.329 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.564 -14.775 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.170 -16.407 9.188 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.225 -16.122 7.707 1.00 0.00 H new ATOM 232 N PHE A 18 -5.728 -14.791 5.338 1.00 0.00 N ATOM 233 CA PHE A 18 -5.465 -13.887 4.225 1.00 0.00 C ATOM 234 C PHE A 18 -6.566 -12.838 4.103 1.00 0.00 C ATOM 235 O PHE A 18 -6.294 -11.640 4.045 1.00 0.00 O ATOM 236 CB PHE A 18 -5.347 -14.674 2.917 1.00 0.00 C ATOM 237 CG PHE A 18 -4.536 -13.971 1.866 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.156 -14.085 1.844 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.155 -13.195 0.899 1.00 0.00 C ATOM 240 CE1 PHE A 18 -2.407 -13.441 0.878 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.412 -12.548 -0.070 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.036 -12.670 -0.080 1.00 0.00 C ATOM 0 H PHE A 18 -5.695 -15.781 5.094 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.522 -13.377 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.895 -15.644 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.346 -14.865 2.526 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.659 -14.685 2.592 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.230 -13.095 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.332 -13.540 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.907 -11.947 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.453 -12.164 -0.835 1.00 0.00 H new ATOM 251 N ALA A 19 -7.812 -13.300 4.064 1.00 0.00 N ATOM 252 CA ALA A 19 -8.955 -12.403 3.950 1.00 0.00 C ATOM 253 C ALA A 19 -8.954 -11.367 5.070 1.00 0.00 C ATOM 254 O ALA A 19 -9.092 -10.170 4.820 1.00 0.00 O ATOM 255 CB ALA A 19 -10.253 -13.197 3.965 1.00 0.00 C ATOM 0 H ALA A 19 -8.055 -14.290 4.110 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.876 -11.874 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.098 -12.514 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.263 -13.894 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.329 -13.753 4.900 1.00 0.00 H new ATOM 261 N ALA A 20 -8.799 -11.837 6.302 1.00 0.00 N ATOM 262 CA ALA A 20 -8.779 -10.951 7.460 1.00 0.00 C ATOM 263 C ALA A 20 -7.719 -9.865 7.303 1.00 0.00 C ATOM 264 O ALA A 20 -7.883 -8.747 7.791 1.00 0.00 O ATOM 265 CB ALA A 20 -8.534 -11.750 8.732 1.00 0.00 C ATOM 0 H ALA A 20 -8.685 -12.826 6.525 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.752 -10.465 7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.522 -11.076 9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.330 -12.484 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.575 -12.263 8.660 1.00 0.00 H new ATOM 271 N LYS A 21 -6.631 -10.203 6.618 1.00 0.00 N ATOM 272 CA LYS A 21 -5.544 -9.257 6.394 1.00 0.00 C ATOM 273 C LYS A 21 -5.927 -8.227 5.338 1.00 0.00 C ATOM 274 O LYS A 21 -5.707 -7.029 5.516 1.00 0.00 O ATOM 275 CB LYS A 21 -4.277 -9.999 5.964 1.00 0.00 C ATOM 276 CG LYS A 21 -3.501 -10.601 7.123 1.00 0.00 C ATOM 277 CD LYS A 21 -2.289 -9.758 7.481 1.00 0.00 C ATOM 278 CE LYS A 21 -2.649 -8.650 8.458 1.00 0.00 C ATOM 279 NZ LYS A 21 -1.701 -8.593 9.605 1.00 0.00 N ATOM 0 H LYS A 21 -6.479 -11.125 6.209 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.352 -8.734 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.549 -10.793 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.629 -9.310 5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.153 -10.689 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.180 -11.609 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.519 -10.394 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.867 -9.323 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.648 -7.692 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.661 -8.809 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.552 -7.602 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.096 -9.122 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.792 -9.015 9.326 1.00 0.00 H new ATOM 289 N ALA A 22 -6.503 -8.701 4.237 1.00 0.00 N ATOM 290 CA ALA A 22 -6.919 -7.820 3.153 1.00 0.00 C ATOM 291 C ALA A 22 -7.836 -6.714 3.665 1.00 0.00 C ATOM 292 O ALA A 22 -7.671 -5.547 3.316 1.00 0.00 O ATOM 293 CB ALA A 22 -7.613 -8.620 2.061 1.00 0.00 C ATOM 0 H ALA A 22 -6.692 -9.690 4.073 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.027 -7.352 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.919 -7.950 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.927 -9.370 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.492 -9.115 2.475 1.00 0.00 H new ATOM 299 N GLY A 23 -8.804 -7.091 4.495 1.00 0.00 N ATOM 300 CA GLY A 23 -9.734 -6.120 5.041 1.00 0.00 C ATOM 301 C GLY A 23 -9.079 -5.192 6.044 1.00 0.00 C ATOM 302 O GLY A 23 -9.525 -4.060 6.238 1.00 0.00 O ATOM 0 H GLY A 23 -8.961 -8.052 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.158 -5.531 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.561 -6.643 5.521 1.00 0.00 H new ATOM 306 N LEU A 24 -8.019 -5.671 6.687 1.00 0.00 N ATOM 307 CA LEU A 24 -7.303 -4.876 7.678 1.00 0.00 C ATOM 308 C LEU A 24 -6.558 -3.722 7.016 1.00 0.00 C ATOM 309 O LEU A 24 -6.295 -2.697 7.646 1.00 0.00 O ATOM 310 CB LEU A 24 -6.318 -5.757 8.451 1.00 0.00 C ATOM 311 CG LEU A 24 -6.222 -5.496 9.954 1.00 0.00 C ATOM 312 CD1 LEU A 24 -5.810 -6.762 10.689 1.00 0.00 C ATOM 313 CD2 LEU A 24 -5.239 -4.369 10.239 1.00 0.00 C ATOM 0 H LEU A 24 -7.637 -6.605 6.540 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.034 -4.461 8.372 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.599 -6.799 8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.327 -5.628 8.016 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.205 -5.193 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.747 -6.558 11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.550 -7.543 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.838 -7.094 10.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.184 -4.197 11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.253 -4.643 9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.576 -3.459 9.743 1.00 0.00 H new ATOM 324 N MET A 25 -6.224 -3.892 5.742 1.00 0.00 N ATOM 325 CA MET A 25 -5.514 -2.863 4.992 1.00 0.00 C ATOM 326 C MET A 25 -6.381 -1.620 4.820 1.00 0.00 C ATOM 327 O MET A 25 -5.997 -0.522 5.224 1.00 0.00 O ATOM 328 CB MET A 25 -5.091 -3.397 3.623 1.00 0.00 C ATOM 329 CG MET A 25 -4.546 -2.325 2.694 1.00 0.00 C ATOM 330 SD MET A 25 -3.130 -1.455 3.393 1.00 0.00 S ATOM 331 CE MET A 25 -1.915 -2.771 3.444 1.00 0.00 C ATOM 0 H MET A 25 -6.434 -4.734 5.206 1.00 0.00 H new ATOM 0 HA MET A 25 -4.623 -2.588 5.557 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.332 -4.167 3.761 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.948 -3.876 3.149 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.256 -2.783 1.748 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.335 -1.607 2.472 1.00 0.00 H new ATOM 0 HE1 MET A 25 -0.961 -2.372 3.787 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.250 -3.550 4.129 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.794 -3.193 2.446 1.00 0.00 H new ATOM 339 N ARG A 26 -7.553 -1.800 4.219 1.00 0.00 N ATOM 340 CA ARG A 26 -8.474 -0.692 3.992 1.00 0.00 C ATOM 341 C ARG A 26 -8.797 0.022 5.300 1.00 0.00 C ATOM 342 O ARG A 26 -9.120 1.211 5.307 1.00 0.00 O ATOM 343 CB ARG A 26 -9.762 -1.199 3.343 1.00 0.00 C ATOM 344 CG ARG A 26 -10.120 -0.476 2.054 1.00 0.00 C ATOM 345 CD ARG A 26 -10.635 -1.442 0.998 1.00 0.00 C ATOM 346 NE ARG A 26 -11.168 -0.744 -0.169 1.00 0.00 N ATOM 347 CZ ARG A 26 -12.318 -0.080 -0.166 1.00 0.00 C ATOM 348 NH1 ARG A 26 -13.053 -0.023 0.937 1.00 0.00 N ATOM 349 NH2 ARG A 26 -12.736 0.531 -1.268 1.00 0.00 N ATOM 0 H ARG A 26 -7.887 -2.702 3.881 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.992 0.018 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.660 -2.264 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.583 -1.090 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.878 0.280 2.258 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.243 0.047 1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.827 -2.104 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.413 -2.071 1.431 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.627 -0.768 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.735 -0.490 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.936 0.488 0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.174 0.491 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.619 1.041 -1.265 1.00 0.00 H new ATOM 360 N HIS A 27 -8.709 -0.710 6.407 1.00 0.00 N ATOM 361 CA HIS A 27 -8.992 -0.146 7.721 1.00 0.00 C ATOM 362 C HIS A 27 -7.979 0.937 8.077 1.00 0.00 C ATOM 363 O HIS A 27 -8.328 1.958 8.671 1.00 0.00 O ATOM 364 CB HIS A 27 -8.977 -1.244 8.784 1.00 0.00 C ATOM 365 CG HIS A 27 -9.318 -0.753 10.158 1.00 0.00 C ATOM 366 ND1 HIS A 27 -9.982 0.432 10.390 1.00 0.00 N ATOM 367 CD2 HIS A 27 -9.082 -1.296 11.376 1.00 0.00 C ATOM 368 CE1 HIS A 27 -10.141 0.598 11.691 1.00 0.00 C ATOM 369 NE2 HIS A 27 -9.603 -0.437 12.312 1.00 0.00 N ATOM 0 H HIS A 27 -8.444 -1.695 6.419 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.984 0.305 7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.684 -2.023 8.500 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.989 -1.703 8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.578 -2.230 11.574 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.628 1.437 12.166 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.579 -0.575 13.322 1.00 0.00 H new ATOM 376 N THR A 28 -6.722 0.709 7.711 1.00 0.00 N ATOM 377 CA THR A 28 -5.658 1.664 7.993 1.00 0.00 C ATOM 378 C THR A 28 -5.876 2.970 7.236 1.00 0.00 C ATOM 379 O THR A 28 -5.678 4.055 7.783 1.00 0.00 O ATOM 380 CB THR A 28 -4.277 1.093 7.620 1.00 0.00 C ATOM 381 OG1 THR A 28 -4.187 -0.277 8.027 1.00 0.00 O ATOM 382 CG2 THR A 28 -3.164 1.896 8.277 1.00 0.00 C ATOM 0 H THR A 28 -6.416 -0.130 7.218 1.00 0.00 H new ATOM 0 HA THR A 28 -5.685 1.859 9.065 1.00 0.00 H new ATOM 0 HB THR A 28 -4.162 1.159 6.538 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.359 -0.414 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.198 1.474 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.217 2.932 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.278 1.858 9.360 1.00 0.00 H new ATOM 390 N ILE A 29 -6.284 2.857 5.977 1.00 0.00 N ATOM 391 CA ILE A 29 -6.530 4.029 5.146 1.00 0.00 C ATOM 392 C ILE A 29 -7.813 4.740 5.566 1.00 0.00 C ATOM 393 O ILE A 29 -7.829 5.957 5.747 1.00 0.00 O ATOM 394 CB ILE A 29 -6.631 3.653 3.657 1.00 0.00 C ATOM 395 CG1 ILE A 29 -5.300 3.081 3.162 1.00 0.00 C ATOM 396 CG2 ILE A 29 -7.031 4.865 2.830 1.00 0.00 C ATOM 397 CD1 ILE A 29 -5.142 1.600 3.434 1.00 0.00 C ATOM 0 H ILE A 29 -6.451 1.966 5.510 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.682 4.699 5.286 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.400 2.889 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.214 3.257 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.482 3.620 3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.098 4.583 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.999 5.234 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.283 5.649 2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.177 1.262 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.196 1.419 4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.940 1.051 2.933 1.00 0.00 H new ATOM 408 N GLY A 30 -8.886 3.971 5.721 1.00 0.00 N ATOM 409 CA GLY A 30 -10.158 4.545 6.120 1.00 0.00 C ATOM 410 C GLY A 30 -10.050 5.370 7.388 1.00 0.00 C ATOM 411 O GLY A 30 -10.565 6.485 7.456 1.00 0.00 O ATOM 0 H GLY A 30 -8.897 2.961 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.539 5.172 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.883 3.745 6.271 1.00 0.00 H new ATOM 415 N GLN A 31 -9.380 4.819 8.395 1.00 0.00 N ATOM 416 CA GLN A 31 -9.208 5.510 9.667 1.00 0.00 C ATOM 417 C GLN A 31 -8.210 6.656 9.533 1.00 0.00 C ATOM 418 O GLN A 31 -8.401 7.728 10.107 1.00 0.00 O ATOM 419 CB GLN A 31 -8.738 4.532 10.745 1.00 0.00 C ATOM 420 CG GLN A 31 -9.877 3.862 11.496 1.00 0.00 C ATOM 421 CD GLN A 31 -10.643 4.829 12.377 1.00 0.00 C ATOM 422 OE1 GLN A 31 -10.306 5.023 13.545 1.00 0.00 O ATOM 423 NE2 GLN A 31 -11.681 5.442 11.821 1.00 0.00 N ATOM 0 H GLN A 31 -8.948 3.896 8.354 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.173 5.924 9.959 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.118 3.764 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.108 5.064 11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.562 3.408 10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.477 3.055 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.925 5.251 10.849 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.234 6.104 12.366 1.00 0.00 H new ATOM 430 N ALA A 32 -7.145 6.421 8.774 1.00 0.00 N ATOM 431 CA ALA A 32 -6.118 7.434 8.564 1.00 0.00 C ATOM 432 C ALA A 32 -6.701 8.678 7.903 1.00 0.00 C ATOM 433 O ALA A 32 -6.438 9.801 8.334 1.00 0.00 O ATOM 434 CB ALA A 32 -4.984 6.869 7.721 1.00 0.00 C ATOM 0 H ALA A 32 -6.971 5.538 8.294 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.723 7.723 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.224 7.636 7.572 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.541 6.014 8.233 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.373 6.551 6.754 1.00 0.00 H new ATOM 440 N GLU A 33 -7.493 8.471 6.856 1.00 0.00 N ATOM 441 CA GLU A 33 -8.112 9.578 6.136 1.00 0.00 C ATOM 442 C GLU A 33 -8.944 10.443 7.079 1.00 0.00 C ATOM 443 O GLU A 33 -9.014 11.661 6.919 1.00 0.00 O ATOM 444 CB GLU A 33 -8.992 9.050 5.002 1.00 0.00 C ATOM 445 CG GLU A 33 -8.205 8.592 3.785 1.00 0.00 C ATOM 446 CD GLU A 33 -7.805 9.743 2.882 1.00 0.00 C ATOM 447 OE1 GLU A 33 -8.172 10.895 3.192 1.00 0.00 O ATOM 448 OE2 GLU A 33 -7.125 9.490 1.866 1.00 0.00 O ATOM 0 H GLU A 33 -7.721 7.548 6.487 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.317 10.192 5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.588 8.217 5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.690 9.831 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.309 8.065 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.804 7.880 3.217 1.00 0.00 H new ATOM 453 N GLN A 34 -9.573 9.803 8.060 1.00 0.00 N ATOM 454 CA GLN A 34 -10.401 10.514 9.027 1.00 0.00 C ATOM 455 C GLN A 34 -9.574 11.529 9.810 1.00 0.00 C ATOM 456 O GLN A 34 -10.043 12.626 10.111 1.00 0.00 O ATOM 457 CB GLN A 34 -11.060 9.525 9.989 1.00 0.00 C ATOM 458 CG GLN A 34 -12.232 10.113 10.759 1.00 0.00 C ATOM 459 CD GLN A 34 -13.280 9.077 11.109 1.00 0.00 C ATOM 460 OE1 GLN A 34 -12.982 8.064 11.744 1.00 0.00 O ATOM 461 NE2 GLN A 34 -14.518 9.322 10.695 1.00 0.00 N ATOM 0 H GLN A 34 -9.525 8.795 8.206 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.176 11.050 8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.405 8.658 9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.313 9.168 10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.864 10.576 11.675 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.692 10.903 10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.722 10.174 10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.265 8.659 10.900 1.00 0.00 H new ATOM 468 N ALA A 35 -8.342 11.154 10.138 1.00 0.00 N ATOM 469 CA ALA A 35 -7.449 12.032 10.885 1.00 0.00 C ATOM 470 C ALA A 35 -7.205 13.336 10.132 1.00 0.00 C ATOM 471 O ALA A 35 -7.291 14.420 10.706 1.00 0.00 O ATOM 472 CB ALA A 35 -6.130 11.328 11.166 1.00 0.00 C ATOM 0 H ALA A 35 -7.939 10.248 9.898 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.928 12.275 11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.473 11.995 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.316 10.428 11.752 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.655 11.056 10.224 1.00 0.00 H new ATOM 478 N ALA A 36 -6.899 13.221 8.843 1.00 0.00 N ATOM 479 CA ALA A 36 -6.644 14.390 8.012 1.00 0.00 C ATOM 480 C ALA A 36 -7.829 15.350 8.035 1.00 0.00 C ATOM 481 O ALA A 36 -7.669 16.552 7.829 1.00 0.00 O ATOM 482 CB ALA A 36 -6.335 13.966 6.584 1.00 0.00 C ATOM 0 H ALA A 36 -6.822 12.330 8.353 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.779 14.912 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.147 14.850 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.453 13.326 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.184 13.418 6.175 1.00 0.00 H new ATOM 488 N MET A 37 -9.017 14.809 8.286 1.00 0.00 N ATOM 489 CA MET A 37 -10.229 15.619 8.337 1.00 0.00 C ATOM 490 C MET A 37 -10.258 16.476 9.598 1.00 0.00 C ATOM 491 O MET A 37 -10.438 17.692 9.529 1.00 0.00 O ATOM 492 CB MET A 37 -11.468 14.723 8.286 1.00 0.00 C ATOM 493 CG MET A 37 -11.480 13.769 7.103 1.00 0.00 C ATOM 494 SD MET A 37 -13.147 13.273 6.628 1.00 0.00 S ATOM 495 CE MET A 37 -12.798 12.211 5.227 1.00 0.00 C ATOM 0 H MET A 37 -9.166 13.815 8.457 1.00 0.00 H new ATOM 0 HA MET A 37 -10.231 16.280 7.471 1.00 0.00 H new ATOM 0 HB2 MET A 37 -11.527 14.145 9.209 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.358 15.350 8.245 1.00 0.00 H new ATOM 0 HG2 MET A 37 -10.990 14.244 6.253 1.00 0.00 H new ATOM 0 HG3 MET A 37 -10.898 12.882 7.351 1.00 0.00 H new ATOM 0 HE1 MET A 37 -13.733 11.825 4.821 1.00 0.00 H new ATOM 0 HE2 MET A 37 -12.278 12.782 4.458 1.00 0.00 H new ATOM 0 HE3 MET A 37 -12.171 11.379 5.548 1.00 0.00 H new ATOM 503 N SER A 38 -10.079 15.835 10.748 1.00 0.00 N ATOM 504 CA SER A 38 -10.089 16.539 12.025 1.00 0.00 C ATOM 505 C SER A 38 -9.124 17.720 12.002 1.00 0.00 C ATOM 506 O SER A 38 -9.420 18.788 12.536 1.00 0.00 O ATOM 507 CB SER A 38 -9.718 15.584 13.161 1.00 0.00 C ATOM 508 OG SER A 38 -8.313 15.418 13.248 1.00 0.00 O ATOM 0 H SER A 38 -9.925 14.829 10.822 1.00 0.00 H new ATOM 0 HA SER A 38 -11.096 16.919 12.194 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.101 15.971 14.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.192 14.616 12.997 1.00 0.00 H new ATOM 0 HG SER A 38 -7.972 15.066 12.399 1.00 0.00 H new ATOM 513 N ALA A 39 -7.967 17.518 11.379 1.00 0.00 N ATOM 514 CA ALA A 39 -6.959 18.566 11.284 1.00 0.00 C ATOM 515 C ALA A 39 -7.366 19.631 10.273 1.00 0.00 C ATOM 516 O ALA A 39 -6.960 20.788 10.379 1.00 0.00 O ATOM 517 CB ALA A 39 -5.611 17.968 10.908 1.00 0.00 C ATOM 0 H ALA A 39 -7.705 16.639 10.933 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.875 19.043 12.260 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.867 18.762 10.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.307 17.249 11.669 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.692 17.464 9.945 1.00 0.00 H new ATOM 523 N GLN A 40 -8.172 19.234 9.294 1.00 0.00 N ATOM 524 CA GLN A 40 -8.634 20.156 8.264 1.00 0.00 C ATOM 525 C GLN A 40 -9.604 21.180 8.844 1.00 0.00 C ATOM 526 O GLN A 40 -10.030 22.107 8.154 1.00 0.00 O ATOM 527 CB GLN A 40 -9.308 19.387 7.125 1.00 0.00 C ATOM 528 CG GLN A 40 -9.043 19.978 5.750 1.00 0.00 C ATOM 529 CD GLN A 40 -9.177 18.956 4.639 1.00 0.00 C ATOM 530 OE1 GLN A 40 -9.930 19.304 3.602 1.00 0.00 O flip ATOM 531 NE2 GLN A 40 -8.611 17.865 4.713 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.519 18.280 9.193 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.766 20.686 7.872 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.961 18.354 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.384 19.364 7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.739 20.797 5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.039 20.402 5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.042 17.640 5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.711 17.186 3.958 1.00 0.00 H new ATOM 538 N ALA A 41 -9.949 21.006 10.116 1.00 0.00 N ATOM 539 CA ALA A 41 -10.867 21.917 10.790 1.00 0.00 C ATOM 540 C ALA A 41 -10.276 23.320 10.885 1.00 0.00 C ATOM 541 O ALA A 41 -10.964 24.269 11.262 1.00 0.00 O ATOM 542 CB ALA A 41 -11.209 21.391 12.176 1.00 0.00 C ATOM 0 H ALA A 41 -9.607 20.243 10.700 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.782 21.975 10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.895 22.081 12.668 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.680 20.412 12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.297 21.303 12.767 1.00 0.00 H new ATOM 548 N PHE A 42 -8.999 23.444 10.541 1.00 0.00 N ATOM 549 CA PHE A 42 -8.316 24.732 10.591 1.00 0.00 C ATOM 550 C PHE A 42 -9.310 25.881 10.451 1.00 0.00 C ATOM 551 O PHE A 42 -9.591 26.594 11.413 1.00 0.00 O ATOM 552 CB PHE A 42 -7.263 24.817 9.484 1.00 0.00 C ATOM 553 CG PHE A 42 -6.237 23.721 9.547 1.00 0.00 C ATOM 554 CD1 PHE A 42 -5.480 23.528 10.691 1.00 0.00 C ATOM 555 CD2 PHE A 42 -6.031 22.883 8.464 1.00 0.00 C ATOM 556 CE1 PHE A 42 -4.536 22.521 10.752 1.00 0.00 C ATOM 557 CE2 PHE A 42 -5.088 21.874 8.518 1.00 0.00 C ATOM 558 CZ PHE A 42 -4.341 21.692 9.664 1.00 0.00 C ATOM 0 H PHE A 42 -8.416 22.669 10.225 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.824 24.817 11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.762 24.782 8.516 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.758 25.781 9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.629 24.172 11.545 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.615 23.020 7.566 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.951 22.382 11.649 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.936 21.229 7.665 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.605 20.903 9.710 1.00 0.00 H new ATOM 567 N HIS A 43 -9.839 26.053 9.243 1.00 0.00 N ATOM 568 CA HIS A 43 -10.803 27.115 8.975 1.00 0.00 C ATOM 569 C HIS A 43 -12.153 26.534 8.564 1.00 0.00 C ATOM 570 O HIS A 43 -13.196 27.150 8.781 1.00 0.00 O ATOM 571 CB HIS A 43 -10.279 28.045 7.880 1.00 0.00 C ATOM 572 CG HIS A 43 -9.084 28.845 8.295 1.00 0.00 C ATOM 573 ND1 HIS A 43 -8.115 29.266 7.408 1.00 0.00 N ATOM 574 CD2 HIS A 43 -8.704 29.304 9.511 1.00 0.00 C ATOM 575 CE1 HIS A 43 -7.190 29.948 8.061 1.00 0.00 C ATOM 576 NE2 HIS A 43 -7.524 29.985 9.339 1.00 0.00 N ATOM 0 H HIS A 43 -9.617 25.471 8.435 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.939 27.688 9.892 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.022 27.451 7.003 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -11.076 28.726 7.581 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.231 29.161 10.443 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.311 30.398 7.624 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.992 30.445 10.078 1.00 0.00 H new ATOM 583 N GLN A 44 -12.122 25.346 7.969 1.00 0.00 N ATOM 584 CA GLN A 44 -13.343 24.683 7.526 1.00 0.00 C ATOM 585 C GLN A 44 -14.044 25.499 6.446 1.00 0.00 C ATOM 586 O GLN A 44 -14.795 26.428 6.744 1.00 0.00 O ATOM 587 CB GLN A 44 -14.287 24.463 8.709 1.00 0.00 C ATOM 588 CG GLN A 44 -14.940 23.090 8.720 1.00 0.00 C ATOM 589 CD GLN A 44 -15.789 22.856 9.954 1.00 0.00 C ATOM 590 OE1 GLN A 44 -16.970 22.524 9.855 1.00 0.00 O ATOM 591 NE2 GLN A 44 -15.189 23.028 11.126 1.00 0.00 N ATOM 0 H GLN A 44 -11.266 24.823 7.783 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.069 23.716 7.104 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.731 24.599 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -15.065 25.226 8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -15.561 22.980 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.167 22.324 8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.208 23.304 11.161 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -15.710 22.884 11.991 1.00 0.00 H new ATOM 598 N GLY A 45 -13.794 25.147 5.188 1.00 0.00 N ATOM 599 CA GLY A 45 -14.409 25.858 4.082 1.00 0.00 C ATOM 600 C GLY A 45 -14.645 24.967 2.880 1.00 0.00 C ATOM 601 O GLY A 45 -15.604 24.196 2.850 1.00 0.00 O ATOM 0 H GLY A 45 -13.177 24.382 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -15.359 26.281 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.772 26.693 3.792 1.00 0.00 H new ATOM 605 N GLU A 46 -13.770 25.073 1.885 1.00 0.00 N ATOM 606 CA GLU A 46 -13.891 24.270 0.674 1.00 0.00 C ATOM 607 C GLU A 46 -12.624 24.369 -0.174 1.00 0.00 C ATOM 608 O GLU A 46 -12.101 23.361 -0.647 1.00 0.00 O ATOM 609 CB GLU A 46 -15.102 24.722 -0.145 1.00 0.00 C ATOM 610 CG GLU A 46 -15.875 23.574 -0.773 1.00 0.00 C ATOM 611 CD GLU A 46 -16.985 24.050 -1.690 1.00 0.00 C ATOM 612 OE1 GLU A 46 -17.017 25.259 -2.003 1.00 0.00 O ATOM 613 OE2 GLU A 46 -17.821 23.215 -2.093 1.00 0.00 O ATOM 0 H GLU A 46 -12.970 25.706 1.894 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.029 23.230 0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.773 25.292 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -14.766 25.397 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.188 22.944 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.301 22.954 0.015 1.00 0.00 H new ATOM 618 N SER A 47 -12.139 25.593 -0.359 1.00 0.00 N ATOM 619 CA SER A 47 -10.937 25.826 -1.152 1.00 0.00 C ATOM 620 C SER A 47 -9.750 25.061 -0.576 1.00 0.00 C ATOM 621 O SER A 47 -9.453 25.158 0.615 1.00 0.00 O ATOM 622 CB SER A 47 -10.618 27.321 -1.206 1.00 0.00 C ATOM 623 OG SER A 47 -11.800 28.090 -1.341 1.00 0.00 O ATOM 0 H SER A 47 -12.559 26.438 0.029 1.00 0.00 H new ATOM 0 HA SER A 47 -11.123 25.465 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.090 27.616 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.951 27.524 -2.044 1.00 0.00 H new ATOM 0 HG SER A 47 -11.569 29.042 -1.371 1.00 0.00 H new ATOM 628 N SER A 48 -9.073 24.299 -1.430 1.00 0.00 N ATOM 629 CA SER A 48 -7.920 23.514 -1.007 1.00 0.00 C ATOM 630 C SER A 48 -7.312 22.762 -2.186 1.00 0.00 C ATOM 631 O SER A 48 -7.635 21.601 -2.430 1.00 0.00 O ATOM 632 CB SER A 48 -8.324 22.524 0.088 1.00 0.00 C ATOM 633 OG SER A 48 -9.623 22.009 -0.145 1.00 0.00 O ATOM 0 H SER A 48 -9.304 24.209 -2.419 1.00 0.00 H new ATOM 0 HA SER A 48 -7.172 24.200 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.606 21.705 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.294 23.018 1.059 1.00 0.00 H new ATOM 0 HG SER A 48 -9.857 21.378 0.567 1.00 0.00 H new ATOM 638 N ALA A 49 -6.427 23.436 -2.916 1.00 0.00 N ATOM 639 CA ALA A 49 -5.771 22.833 -4.070 1.00 0.00 C ATOM 640 C ALA A 49 -4.569 21.998 -3.643 1.00 0.00 C ATOM 641 O ALA A 49 -4.427 20.844 -4.050 1.00 0.00 O ATOM 642 CB ALA A 49 -5.344 23.910 -5.056 1.00 0.00 C ATOM 0 H ALA A 49 -6.149 24.399 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.486 22.171 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.856 23.446 -5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.221 24.463 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.649 24.594 -4.569 1.00 0.00 H new ATOM 648 N ALA A 50 -3.706 22.587 -2.822 1.00 0.00 N ATOM 649 CA ALA A 50 -2.518 21.895 -2.338 1.00 0.00 C ATOM 650 C ALA A 50 -2.882 20.564 -1.691 1.00 0.00 C ATOM 651 O ALA A 50 -2.186 19.564 -1.870 1.00 0.00 O ATOM 652 CB ALA A 50 -1.760 22.774 -1.355 1.00 0.00 C ATOM 0 H ALA A 50 -3.807 23.542 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.875 21.687 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.875 22.245 -1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.457 23.697 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.404 23.011 -0.508 1.00 0.00 H new ATOM 658 N PHE A 51 -3.976 20.559 -0.936 1.00 0.00 N ATOM 659 CA PHE A 51 -4.431 19.349 -0.260 1.00 0.00 C ATOM 660 C PHE A 51 -5.095 18.392 -1.245 1.00 0.00 C ATOM 661 O PHE A 51 -4.988 17.174 -1.109 1.00 0.00 O ATOM 662 CB PHE A 51 -5.409 19.705 0.862 1.00 0.00 C ATOM 663 CG PHE A 51 -6.071 18.508 1.482 1.00 0.00 C ATOM 664 CD1 PHE A 51 -5.453 17.813 2.509 1.00 0.00 C ATOM 665 CD2 PHE A 51 -7.311 18.076 1.038 1.00 0.00 C ATOM 666 CE1 PHE A 51 -6.059 16.711 3.083 1.00 0.00 C ATOM 667 CE2 PHE A 51 -7.922 16.976 1.607 1.00 0.00 C ATOM 668 CZ PHE A 51 -7.295 16.291 2.631 1.00 0.00 C ATOM 0 H PHE A 51 -4.563 21.378 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.561 18.853 0.169 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.876 20.257 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.176 20.371 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.486 18.136 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.805 18.606 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.567 16.179 3.884 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.889 16.651 1.252 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.770 15.430 3.077 1.00 0.00 H new ATOM 677 N GLN A 52 -5.780 18.953 -2.236 1.00 0.00 N ATOM 678 CA GLN A 52 -6.463 18.149 -3.243 1.00 0.00 C ATOM 679 C GLN A 52 -5.491 17.189 -3.923 1.00 0.00 C ATOM 680 O GLN A 52 -5.725 15.983 -3.966 1.00 0.00 O ATOM 681 CB GLN A 52 -7.120 19.053 -4.288 1.00 0.00 C ATOM 682 CG GLN A 52 -7.630 18.302 -5.506 1.00 0.00 C ATOM 683 CD GLN A 52 -9.066 18.650 -5.847 1.00 0.00 C ATOM 684 OE1 GLN A 52 -9.572 19.702 -5.456 1.00 0.00 O ATOM 685 NE2 GLN A 52 -9.732 17.765 -6.581 1.00 0.00 N ATOM 0 H GLN A 52 -5.877 19.960 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.234 17.563 -2.743 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.951 19.585 -3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.400 19.805 -4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.993 18.528 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.553 17.230 -5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.274 16.906 -6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.702 17.945 -6.842 1.00 0.00 H new ATOM 692 N ALA A 53 -4.402 17.735 -4.453 1.00 0.00 N ATOM 693 CA ALA A 53 -3.395 16.927 -5.129 1.00 0.00 C ATOM 694 C ALA A 53 -2.950 15.759 -4.255 1.00 0.00 C ATOM 695 O ALA A 53 -2.889 14.618 -4.711 1.00 0.00 O ATOM 696 CB ALA A 53 -2.199 17.786 -5.513 1.00 0.00 C ATOM 0 H ALA A 53 -4.195 18.733 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.842 16.519 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.455 17.169 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.523 18.583 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.761 18.222 -4.615 1.00 0.00 H new ATOM 702 N ALA A 54 -2.641 16.053 -2.996 1.00 0.00 N ATOM 703 CA ALA A 54 -2.203 15.026 -2.059 1.00 0.00 C ATOM 704 C ALA A 54 -3.303 13.999 -1.816 1.00 0.00 C ATOM 705 O ALA A 54 -3.033 12.805 -1.679 1.00 0.00 O ATOM 706 CB ALA A 54 -1.772 15.661 -0.745 1.00 0.00 C ATOM 0 H ALA A 54 -2.686 16.993 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.350 14.509 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.447 14.883 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.948 16.351 -0.927 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.611 16.204 -0.311 1.00 0.00 H new ATOM 712 N HIS A 55 -4.545 14.470 -1.762 1.00 0.00 N ATOM 713 CA HIS A 55 -5.687 13.592 -1.534 1.00 0.00 C ATOM 714 C HIS A 55 -5.920 12.682 -2.737 1.00 0.00 C ATOM 715 O HIS A 55 -6.256 11.508 -2.583 1.00 0.00 O ATOM 716 CB HIS A 55 -6.944 14.417 -1.253 1.00 0.00 C ATOM 717 CG HIS A 55 -8.167 13.584 -1.021 1.00 0.00 C ATOM 718 ND1 HIS A 55 -8.890 12.816 -1.869 1.00 0.00 N flip ATOM 719 CD2 HIS A 55 -8.783 13.480 0.208 1.00 0.00 C flip ATOM 720 CE1 HIS A 55 -9.918 12.266 -1.144 1.00 0.00 C flip ATOM 721 NE2 HIS A 55 -9.831 12.681 0.107 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.786 15.455 -1.873 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.469 12.970 -0.666 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -6.770 15.043 -0.378 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.125 15.087 -2.094 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.460 13.974 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.675 11.602 -1.533 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.464 12.428 0.865 1.00 0.00 H new ATOM 728 N ALA A 56 -5.740 13.233 -3.933 1.00 0.00 N ATOM 729 CA ALA A 56 -5.930 12.471 -5.161 1.00 0.00 C ATOM 730 C ALA A 56 -4.801 11.466 -5.363 1.00 0.00 C ATOM 731 O ALA A 56 -5.002 10.400 -5.944 1.00 0.00 O ATOM 732 CB ALA A 56 -6.024 13.408 -6.355 1.00 0.00 C ATOM 0 H ALA A 56 -5.463 14.204 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.864 11.917 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.166 12.825 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.869 14.084 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.105 13.988 -6.435 1.00 0.00 H new ATOM 738 N ARG A 57 -3.612 11.813 -4.879 1.00 0.00 N ATOM 739 CA ARG A 57 -2.450 10.942 -5.009 1.00 0.00 C ATOM 740 C ARG A 57 -2.653 9.646 -4.230 1.00 0.00 C ATOM 741 O ARG A 57 -2.270 8.569 -4.687 1.00 0.00 O ATOM 742 CB ARG A 57 -1.192 11.656 -4.512 1.00 0.00 C ATOM 743 CG ARG A 57 -0.552 12.559 -5.554 1.00 0.00 C ATOM 744 CD ARG A 57 0.708 13.221 -5.020 1.00 0.00 C ATOM 745 NE ARG A 57 1.511 13.812 -6.088 1.00 0.00 N ATOM 746 CZ ARG A 57 2.668 14.428 -5.881 1.00 0.00 C ATOM 747 NH1 ARG A 57 3.157 14.535 -4.653 1.00 0.00 N ATOM 748 NH2 ARG A 57 3.341 14.942 -6.904 1.00 0.00 N ATOM 0 H ARG A 57 -3.429 12.691 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.327 10.697 -6.064 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.445 12.251 -3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.464 10.911 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.309 11.976 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.265 13.325 -5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.435 13.994 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.305 12.484 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 57 1.163 13.748 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.643 14.143 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.047 15.009 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.969 14.864 -7.850 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.230 15.415 -6.743 1.00 0.00 H new ATOM 759 N PHE A 58 -3.257 9.758 -3.052 1.00 0.00 N ATOM 760 CA PHE A 58 -3.510 8.595 -2.208 1.00 0.00 C ATOM 761 C PHE A 58 -4.496 7.642 -2.877 1.00 0.00 C ATOM 762 O PHE A 58 -4.212 6.457 -3.050 1.00 0.00 O ATOM 763 CB PHE A 58 -4.051 9.035 -0.846 1.00 0.00 C ATOM 764 CG PHE A 58 -3.930 7.980 0.216 1.00 0.00 C ATOM 765 CD1 PHE A 58 -4.634 6.792 0.114 1.00 0.00 C ATOM 766 CD2 PHE A 58 -3.110 8.177 1.317 1.00 0.00 C ATOM 767 CE1 PHE A 58 -4.525 5.819 1.090 1.00 0.00 C ATOM 768 CE2 PHE A 58 -2.997 7.208 2.296 1.00 0.00 C ATOM 769 CZ PHE A 58 -3.704 6.028 2.182 1.00 0.00 C ATOM 0 H PHE A 58 -3.581 10.642 -2.660 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.566 8.070 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.516 9.928 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.100 9.313 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.276 6.624 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.554 9.098 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.080 4.897 0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.356 7.374 3.149 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.616 5.269 2.945 1.00 0.00 H new ATOM 778 N VAL A 59 -5.659 8.169 -3.250 1.00 0.00 N ATOM 779 CA VAL A 59 -6.688 7.366 -3.899 1.00 0.00 C ATOM 780 C VAL A 59 -6.168 6.746 -5.191 1.00 0.00 C ATOM 781 O VAL A 59 -6.560 5.641 -5.563 1.00 0.00 O ATOM 782 CB VAL A 59 -7.939 8.208 -4.214 1.00 0.00 C ATOM 783 CG1 VAL A 59 -7.555 9.483 -4.949 1.00 0.00 C ATOM 784 CG2 VAL A 59 -8.936 7.395 -5.026 1.00 0.00 C ATOM 0 H VAL A 59 -5.911 9.148 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.958 6.573 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.413 8.489 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.452 10.064 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.880 10.072 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.057 9.228 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.814 8.005 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.474 7.083 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.236 6.514 -4.458 1.00 0.00 H new ATOM 794 N ALA A 60 -5.281 7.465 -5.871 1.00 0.00 N ATOM 795 CA ALA A 60 -4.705 6.985 -7.120 1.00 0.00 C ATOM 796 C ALA A 60 -3.867 5.731 -6.892 1.00 0.00 C ATOM 797 O ALA A 60 -3.869 4.814 -7.711 1.00 0.00 O ATOM 798 CB ALA A 60 -3.862 8.075 -7.766 1.00 0.00 C ATOM 0 H ALA A 60 -4.946 8.382 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.523 6.727 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.438 7.702 -8.698 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.487 8.944 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.056 8.361 -7.090 1.00 0.00 H new ATOM 804 N ALA A 61 -3.149 5.701 -5.773 1.00 0.00 N ATOM 805 CA ALA A 61 -2.307 4.560 -5.436 1.00 0.00 C ATOM 806 C ALA A 61 -3.137 3.416 -4.862 1.00 0.00 C ATOM 807 O ALA A 61 -2.838 2.244 -5.089 1.00 0.00 O ATOM 808 CB ALA A 61 -1.224 4.975 -4.452 1.00 0.00 C ATOM 0 H ALA A 61 -3.134 6.454 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.833 4.206 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.603 4.113 -4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.606 5.754 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.686 5.357 -3.542 1.00 0.00 H new ATOM 814 N ALA A 62 -4.180 3.765 -4.115 1.00 0.00 N ATOM 815 CA ALA A 62 -5.053 2.767 -3.509 1.00 0.00 C ATOM 816 C ALA A 62 -5.544 1.764 -4.548 1.00 0.00 C ATOM 817 O ALA A 62 -5.722 0.584 -4.249 1.00 0.00 O ATOM 818 CB ALA A 62 -6.233 3.443 -2.827 1.00 0.00 C ATOM 0 H ALA A 62 -4.441 4.731 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.477 2.223 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.877 2.686 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.868 4.115 -2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.801 4.013 -3.563 1.00 0.00 H new ATOM 824 N ALA A 63 -5.762 2.242 -5.769 1.00 0.00 N ATOM 825 CA ALA A 63 -6.231 1.386 -6.852 1.00 0.00 C ATOM 826 C ALA A 63 -5.276 0.221 -7.084 1.00 0.00 C ATOM 827 O ALA A 63 -5.692 -0.868 -7.483 1.00 0.00 O ATOM 828 CB ALA A 63 -6.400 2.196 -8.129 1.00 0.00 C ATOM 0 H ALA A 63 -5.621 3.217 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.199 0.975 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.751 1.544 -8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.128 2.990 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.443 2.634 -8.411 1.00 0.00 H new ATOM 834 N LYS A 64 -3.993 0.455 -6.832 1.00 0.00 N ATOM 835 CA LYS A 64 -2.976 -0.575 -7.013 1.00 0.00 C ATOM 836 C LYS A 64 -3.045 -1.609 -5.894 1.00 0.00 C ATOM 837 O LYS A 64 -2.904 -2.809 -6.135 1.00 0.00 O ATOM 838 CB LYS A 64 -1.582 0.056 -7.054 1.00 0.00 C ATOM 839 CG LYS A 64 -0.705 -0.478 -8.174 1.00 0.00 C ATOM 840 CD LYS A 64 -0.568 -1.989 -8.101 1.00 0.00 C ATOM 841 CE LYS A 64 0.270 -2.528 -9.250 1.00 0.00 C ATOM 842 NZ LYS A 64 1.574 -1.820 -9.365 1.00 0.00 N ATOM 0 H LYS A 64 -3.632 1.350 -6.501 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.168 -1.077 -7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.684 1.135 -7.167 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.085 -0.119 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.131 -0.196 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.282 -0.019 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.110 -2.269 -7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.557 -2.447 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.447 -3.593 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.283 -2.424 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.201 -2.349 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.418 -0.865 -9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.015 -1.750 -8.426 1.00 0.00 H new ATOM 852 N VAL A 65 -3.264 -1.138 -4.671 1.00 0.00 N ATOM 853 CA VAL A 65 -3.354 -2.022 -3.516 1.00 0.00 C ATOM 854 C VAL A 65 -4.647 -2.830 -3.541 1.00 0.00 C ATOM 855 O VAL A 65 -4.644 -4.032 -3.282 1.00 0.00 O ATOM 856 CB VAL A 65 -3.281 -1.231 -2.196 1.00 0.00 C ATOM 857 CG1 VAL A 65 -3.150 -2.177 -1.012 1.00 0.00 C ATOM 858 CG2 VAL A 65 -2.124 -0.244 -2.230 1.00 0.00 C ATOM 0 H VAL A 65 -3.382 -0.148 -4.455 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.503 -2.701 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.207 -0.668 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.100 -1.600 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.014 -2.840 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.242 -2.770 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.087 0.306 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.188 -0.785 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.266 0.455 -3.054 1.00 0.00 H new ATOM 868 N ASN A 66 -5.751 -2.159 -3.856 1.00 0.00 N ATOM 869 CA ASN A 66 -7.052 -2.815 -3.916 1.00 0.00 C ATOM 870 C ASN A 66 -7.086 -3.856 -5.030 1.00 0.00 C ATOM 871 O ASN A 66 -7.491 -4.998 -4.816 1.00 0.00 O ATOM 872 CB ASN A 66 -8.158 -1.780 -4.133 1.00 0.00 C ATOM 873 CG ASN A 66 -9.391 -2.379 -4.782 1.00 0.00 C ATOM 874 OD1 ASN A 66 -9.409 -2.401 -6.110 1.00 0.00 O flip ATOM 875 ND2 ASN A 66 -10.314 -2.818 -4.098 1.00 0.00 N flip ATOM 0 H ASN A 66 -5.770 -1.163 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.220 -3.322 -2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.433 -1.340 -3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.778 -0.972 -4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.257 -2.780 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.136 -3.220 -4.548 1.00 0.00 H new ATOM 881 N THR A 67 -6.657 -3.452 -6.223 1.00 0.00 N ATOM 882 CA THR A 67 -6.640 -4.349 -7.372 1.00 0.00 C ATOM 883 C THR A 67 -5.749 -5.557 -7.112 1.00 0.00 C ATOM 884 O THR A 67 -6.024 -6.659 -7.590 1.00 0.00 O ATOM 885 CB THR A 67 -6.148 -3.625 -8.640 1.00 0.00 C ATOM 886 OG1 THR A 67 -7.028 -2.541 -8.958 1.00 0.00 O ATOM 887 CG2 THR A 67 -6.075 -4.587 -9.817 1.00 0.00 C ATOM 0 H THR A 67 -6.317 -2.510 -6.418 1.00 0.00 H new ATOM 0 HA THR A 67 -7.665 -4.685 -7.528 1.00 0.00 H new ATOM 0 HB THR A 67 -5.149 -3.236 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.609 -1.693 -8.701 1.00 0.00 H new ATOM 0 HG21 THR A 67 -5.725 -4.054 -10.701 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.383 -5.396 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.065 -5.001 -10.011 1.00 0.00 H new ATOM 895 N LEU A 68 -4.680 -5.347 -6.351 1.00 0.00 N ATOM 896 CA LEU A 68 -3.748 -6.421 -6.026 1.00 0.00 C ATOM 897 C LEU A 68 -4.331 -7.342 -4.959 1.00 0.00 C ATOM 898 O LEU A 68 -3.980 -8.521 -4.884 1.00 0.00 O ATOM 899 CB LEU A 68 -2.417 -5.840 -5.545 1.00 0.00 C ATOM 900 CG LEU A 68 -1.483 -5.311 -6.633 1.00 0.00 C ATOM 901 CD1 LEU A 68 -0.308 -4.572 -6.014 1.00 0.00 C ATOM 902 CD2 LEU A 68 -0.993 -6.450 -7.515 1.00 0.00 C ATOM 0 H LEU A 68 -4.437 -4.442 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.575 -7.006 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.628 -5.028 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.889 -6.611 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.041 -4.610 -7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.346 -4.203 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.676 -3.732 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.250 -5.251 -5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.329 -6.055 -8.284 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.452 -7.175 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.846 -6.937 -7.987 1.00 0.00 H new ATOM 913 N LEU A 69 -5.221 -6.799 -4.138 1.00 0.00 N ATOM 914 CA LEU A 69 -5.854 -7.573 -3.075 1.00 0.00 C ATOM 915 C LEU A 69 -6.875 -8.551 -3.648 1.00 0.00 C ATOM 916 O LEU A 69 -7.108 -9.621 -3.086 1.00 0.00 O ATOM 917 CB LEU A 69 -6.532 -6.639 -2.071 1.00 0.00 C ATOM 918 CG LEU A 69 -5.652 -6.128 -0.931 1.00 0.00 C ATOM 919 CD1 LEU A 69 -6.430 -5.163 -0.048 1.00 0.00 C ATOM 920 CD2 LEU A 69 -5.114 -7.290 -0.109 1.00 0.00 C ATOM 0 H LEU A 69 -5.522 -5.826 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.079 -8.144 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.925 -5.779 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.386 -7.161 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.806 -5.593 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.788 -4.809 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.765 -4.314 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.295 -5.674 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.490 -6.907 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.946 -7.854 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.520 -7.943 -0.748 1.00 0.00 H new ATOM 931 N ASP A 70 -7.479 -8.177 -4.770 1.00 0.00 N ATOM 932 CA ASP A 70 -8.473 -9.021 -5.422 1.00 0.00 C ATOM 933 C ASP A 70 -7.804 -10.164 -6.179 1.00 0.00 C ATOM 934 O ASP A 70 -8.203 -11.321 -6.058 1.00 0.00 O ATOM 935 CB ASP A 70 -9.330 -8.192 -6.380 1.00 0.00 C ATOM 936 CG ASP A 70 -10.656 -8.856 -6.692 1.00 0.00 C ATOM 937 OD1 ASP A 70 -11.027 -9.808 -5.975 1.00 0.00 O ATOM 938 OD2 ASP A 70 -11.324 -8.424 -7.656 1.00 0.00 O ATOM 0 H ASP A 70 -7.297 -7.294 -5.247 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.114 -9.446 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.512 -7.210 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.781 -8.031 -7.307 1.00 0.00 H new ATOM 942 N VAL A 71 -6.782 -9.830 -6.961 1.00 0.00 N ATOM 943 CA VAL A 71 -6.056 -10.828 -7.738 1.00 0.00 C ATOM 944 C VAL A 71 -5.379 -11.846 -6.829 1.00 0.00 C ATOM 945 O VAL A 71 -5.274 -13.025 -7.170 1.00 0.00 O ATOM 946 CB VAL A 71 -4.992 -10.172 -8.638 1.00 0.00 C ATOM 947 CG1 VAL A 71 -5.647 -9.255 -9.660 1.00 0.00 C ATOM 948 CG2 VAL A 71 -3.979 -9.409 -7.797 1.00 0.00 C ATOM 0 H VAL A 71 -6.438 -8.876 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.789 -11.336 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.464 -10.958 -9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.879 -8.801 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.329 -9.833 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.203 -8.473 -9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.235 -8.952 -8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.490 -8.632 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.486 -10.096 -7.109 1.00 0.00 H new ATOM 958 N ALA A 72 -4.921 -11.386 -5.670 1.00 0.00 N ATOM 959 CA ALA A 72 -4.257 -12.257 -4.709 1.00 0.00 C ATOM 960 C ALA A 72 -5.200 -13.347 -4.212 1.00 0.00 C ATOM 961 O ALA A 72 -4.845 -14.524 -4.185 1.00 0.00 O ATOM 962 CB ALA A 72 -3.723 -11.444 -3.538 1.00 0.00 C ATOM 0 H ALA A 72 -4.998 -10.413 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.420 -12.739 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.230 -12.108 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.007 -10.707 -3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.549 -10.933 -3.043 1.00 0.00 H new ATOM 968 N GLN A 73 -6.406 -12.946 -3.819 1.00 0.00 N ATOM 969 CA GLN A 73 -7.399 -13.889 -3.320 1.00 0.00 C ATOM 970 C GLN A 73 -7.948 -14.750 -4.454 1.00 0.00 C ATOM 971 O GLN A 73 -8.269 -15.921 -4.257 1.00 0.00 O ATOM 972 CB GLN A 73 -8.543 -13.143 -2.632 1.00 0.00 C ATOM 973 CG GLN A 73 -8.096 -12.312 -1.440 1.00 0.00 C ATOM 974 CD GLN A 73 -9.090 -11.226 -1.080 1.00 0.00 C ATOM 975 OE1 GLN A 73 -9.781 -10.688 -1.945 1.00 0.00 O ATOM 976 NE2 GLN A 73 -9.169 -10.897 0.205 1.00 0.00 N ATOM 0 H GLN A 73 -6.718 -11.975 -3.837 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.912 -14.540 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.029 -12.491 -3.358 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.290 -13.865 -2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.951 -12.966 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.131 -11.857 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.578 -11.368 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.821 -10.173 0.507 1.00 0.00 H new ATOM 983 N ALA A 74 -8.056 -14.160 -5.640 1.00 0.00 N ATOM 984 CA ALA A 74 -8.564 -14.873 -6.805 1.00 0.00 C ATOM 985 C ALA A 74 -7.561 -15.912 -7.295 1.00 0.00 C ATOM 986 O ALA A 74 -7.941 -16.986 -7.759 1.00 0.00 O ATOM 987 CB ALA A 74 -8.898 -13.893 -7.920 1.00 0.00 C ATOM 0 H ALA A 74 -7.798 -13.189 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.474 -15.396 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.276 -14.440 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.657 -13.192 -7.573 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.000 -13.344 -8.203 1.00 0.00 H new ATOM 993 N ASN A 75 -6.276 -15.583 -7.188 1.00 0.00 N ATOM 994 CA ASN A 75 -5.218 -16.488 -7.622 1.00 0.00 C ATOM 995 C ASN A 75 -4.935 -17.544 -6.558 1.00 0.00 C ATOM 996 O ASN A 75 -4.696 -18.711 -6.873 1.00 0.00 O ATOM 997 CB ASN A 75 -3.941 -15.703 -7.929 1.00 0.00 C ATOM 998 CG ASN A 75 -3.958 -15.093 -9.318 1.00 0.00 C ATOM 999 OD1 ASN A 75 -5.015 -14.351 -9.625 1.00 0.00 O flip ATOM 1000 ND2 ASN A 75 -3.030 -15.287 -10.104 1.00 0.00 N flip ATOM 0 H ASN A 75 -5.944 -14.698 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.554 -16.992 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.817 -14.912 -7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.080 -16.364 -7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.237 -15.865 -9.824 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.054 -14.870 -11.034 1.00 0.00 H new ATOM 1006 N LEU A 76 -4.963 -17.127 -5.297 1.00 0.00 N ATOM 1007 CA LEU A 76 -4.712 -18.037 -4.185 1.00 0.00 C ATOM 1008 C LEU A 76 -5.920 -18.930 -3.926 1.00 0.00 C ATOM 1009 O LEU A 76 -5.782 -20.062 -3.465 1.00 0.00 O ATOM 1010 CB LEU A 76 -4.369 -17.246 -2.921 1.00 0.00 C ATOM 1011 CG LEU A 76 -3.012 -16.541 -2.918 1.00 0.00 C ATOM 1012 CD1 LEU A 76 -2.790 -15.816 -1.600 1.00 0.00 C ATOM 1013 CD2 LEU A 76 -1.892 -17.538 -3.176 1.00 0.00 C ATOM 0 H LEU A 76 -5.157 -16.165 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.866 -18.671 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.145 -16.497 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.404 -17.926 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.006 -15.803 -3.720 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.819 -15.320 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.575 -15.073 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.817 -16.534 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.934 -17.018 -3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.896 -18.300 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.042 -18.011 -4.146 1.00 0.00 H new ATOM 1024 N GLY A 77 -7.107 -18.414 -4.230 1.00 0.00 N ATOM 1025 CA GLY A 77 -8.323 -19.179 -4.027 1.00 0.00 C ATOM 1026 C GLY A 77 -8.703 -19.285 -2.563 1.00 0.00 C ATOM 1027 O GLY A 77 -9.627 -18.613 -2.105 1.00 0.00 O ATOM 0 H GLY A 77 -7.248 -17.479 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.139 -18.712 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.192 -20.180 -4.439 1.00 0.00 H new ATOM 1031 N GLU A 78 -7.991 -20.132 -1.828 1.00 0.00 N ATOM 1032 CA GLU A 78 -8.260 -20.325 -0.408 1.00 0.00 C ATOM 1033 C GLU A 78 -8.291 -18.988 0.327 1.00 0.00 C ATOM 1034 O GLU A 78 -9.008 -18.828 1.314 1.00 0.00 O ATOM 1035 CB GLU A 78 -7.202 -21.237 0.216 1.00 0.00 C ATOM 1036 CG GLU A 78 -7.724 -22.075 1.371 1.00 0.00 C ATOM 1037 CD GLU A 78 -6.617 -22.792 2.119 1.00 0.00 C ATOM 1038 OE1 GLU A 78 -5.655 -22.119 2.543 1.00 0.00 O ATOM 1039 OE2 GLU A 78 -6.715 -24.026 2.280 1.00 0.00 O ATOM 0 H GLU A 78 -7.223 -20.696 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.238 -20.796 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.807 -21.900 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.370 -20.627 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.269 -21.433 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.435 -22.809 0.990 1.00 0.00 H new ATOM 1044 N ALA A 79 -7.510 -18.031 -0.164 1.00 0.00 N ATOM 1045 CA ALA A 79 -7.450 -16.708 0.443 1.00 0.00 C ATOM 1046 C ALA A 79 -8.837 -16.085 0.543 1.00 0.00 C ATOM 1047 O ALA A 79 -9.265 -15.666 1.618 1.00 0.00 O ATOM 1048 CB ALA A 79 -6.519 -15.804 -0.352 1.00 0.00 C ATOM 0 H ALA A 79 -6.910 -18.148 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.057 -16.818 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.484 -14.819 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.518 -16.235 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.888 -15.710 -1.373 1.00 0.00 H new ATOM 1054 N ALA A 80 -9.537 -16.026 -0.586 1.00 0.00 N ATOM 1055 CA ALA A 80 -10.878 -15.455 -0.625 1.00 0.00 C ATOM 1056 C ALA A 80 -11.494 -15.597 -2.013 1.00 0.00 C ATOM 1057 O ALA A 80 -10.790 -15.828 -2.994 1.00 0.00 O ATOM 1058 CB ALA A 80 -10.840 -13.993 -0.208 1.00 0.00 C ATOM 0 H ALA A 80 -9.197 -16.367 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.503 -16.005 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.848 -13.579 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.449 -13.914 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.196 -13.437 -0.890 1.00 0.00 H new ATOM 1064 N GLY A 81 -12.814 -15.457 -2.086 1.00 0.00 N ATOM 1065 CA GLY A 81 -13.502 -15.573 -3.358 1.00 0.00 C ATOM 1066 C GLY A 81 -14.428 -14.402 -3.626 1.00 0.00 C ATOM 1067 O GLY A 81 -15.616 -14.454 -3.309 1.00 0.00 O ATOM 0 H GLY A 81 -13.419 -15.265 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.767 -15.642 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.078 -16.498 -3.373 1.00 0.00 H new ATOM 1071 N THR A 82 -13.882 -13.340 -4.211 1.00 0.00 N ATOM 1072 CA THR A 82 -14.665 -12.150 -4.518 1.00 0.00 C ATOM 1073 C THR A 82 -14.158 -11.470 -5.785 1.00 0.00 C ATOM 1074 O THR A 82 -13.109 -11.833 -6.318 1.00 0.00 O ATOM 1075 CB THR A 82 -14.628 -11.137 -3.357 1.00 0.00 C ATOM 1076 OG1 THR A 82 -15.546 -10.068 -3.611 1.00 0.00 O ATOM 1077 CG2 THR A 82 -13.226 -10.577 -3.173 1.00 0.00 C ATOM 0 H THR A 82 -12.900 -13.280 -4.482 1.00 0.00 H new ATOM 0 HA THR A 82 -15.693 -12.480 -4.671 1.00 0.00 H new ATOM 0 HB THR A 82 -14.918 -11.654 -2.442 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.518 -9.429 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.224 -9.864 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.535 -11.391 -2.951 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.912 -10.074 -4.088 1.00 0.00 H new ATOM 1085 N TYR A 83 -14.909 -10.484 -6.262 1.00 0.00 N ATOM 1086 CA TYR A 83 -14.536 -9.755 -7.469 1.00 0.00 C ATOM 1087 C TYR A 83 -15.092 -8.334 -7.441 1.00 0.00 C ATOM 1088 O TYR A 83 -15.968 -8.014 -6.639 1.00 0.00 O ATOM 1089 CB TYR A 83 -15.044 -10.489 -8.711 1.00 0.00 C ATOM 1090 CG TYR A 83 -16.470 -10.144 -9.077 1.00 0.00 C ATOM 1091 CD1 TYR A 83 -16.753 -9.070 -9.912 1.00 0.00 C ATOM 1092 CD2 TYR A 83 -17.535 -10.892 -8.589 1.00 0.00 C ATOM 1093 CE1 TYR A 83 -18.055 -8.751 -10.249 1.00 0.00 C ATOM 1094 CE2 TYR A 83 -18.839 -10.582 -8.921 1.00 0.00 C ATOM 1095 CZ TYR A 83 -19.094 -9.509 -9.750 1.00 0.00 C ATOM 1096 OH TYR A 83 -20.391 -9.196 -10.084 1.00 0.00 O ATOM 0 H TYR A 83 -15.779 -10.171 -5.832 1.00 0.00 H new ATOM 0 HA TYR A 83 -13.448 -9.699 -7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -14.394 -10.253 -9.554 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.971 -11.564 -8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -15.942 -8.474 -10.304 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -17.339 -11.731 -7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -18.258 -7.913 -10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -19.654 -11.176 -8.534 1.00 0.00 H new ATOM 0 HH TYR A 83 -21.002 -9.828 -9.651 1.00 0.00 H new ATOM 1105 N VAL A 84 -14.575 -7.487 -8.325 1.00 0.00 N ATOM 1106 CA VAL A 84 -15.020 -6.101 -8.404 1.00 0.00 C ATOM 1107 C VAL A 84 -15.037 -5.610 -9.847 1.00 0.00 C ATOM 1108 O VAL A 84 -14.131 -4.900 -10.283 1.00 0.00 O ATOM 1109 CB VAL A 84 -14.118 -5.173 -7.569 1.00 0.00 C ATOM 1110 CG1 VAL A 84 -14.659 -3.751 -7.578 1.00 0.00 C ATOM 1111 CG2 VAL A 84 -13.990 -5.695 -6.145 1.00 0.00 C ATOM 0 H VAL A 84 -13.848 -7.736 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.032 -6.071 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.125 -5.160 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.008 -3.110 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -14.693 -3.381 -8.603 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -15.663 -3.741 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -13.349 -5.027 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.977 -5.739 -5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.552 -6.693 -6.161 1.00 0.00 H new ATOM 1121 N ALA A 85 -16.073 -5.994 -10.585 1.00 0.00 N ATOM 1122 CA ALA A 85 -16.209 -5.592 -11.980 1.00 0.00 C ATOM 1123 C ALA A 85 -16.639 -4.132 -12.091 1.00 0.00 C ATOM 1124 O ALA A 85 -17.758 -3.836 -12.507 1.00 0.00 O ATOM 1125 CB ALA A 85 -17.205 -6.493 -12.694 1.00 0.00 C ATOM 0 H ALA A 85 -16.831 -6.583 -10.240 1.00 0.00 H new ATOM 0 HA ALA A 85 -15.235 -5.694 -12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -17.297 -6.181 -13.734 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -16.856 -7.525 -12.654 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.177 -6.419 -12.206 1.00 0.00 H new ATOM 1131 N ALA A 86 -15.743 -3.226 -11.714 1.00 0.00 N ATOM 1132 CA ALA A 86 -16.030 -1.798 -11.772 1.00 0.00 C ATOM 1133 C ALA A 86 -15.183 -1.112 -12.839 1.00 0.00 C ATOM 1134 O ALA A 86 -15.621 -0.147 -13.466 1.00 0.00 O ATOM 1135 CB ALA A 86 -15.793 -1.157 -10.413 1.00 0.00 C ATOM 0 H ALA A 86 -14.812 -3.455 -11.365 1.00 0.00 H new ATOM 0 HA ALA A 86 -17.079 -1.673 -12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.011 -0.091 -10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -16.445 -1.621 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -14.753 -1.299 -10.120 1.00 0.00 H new ATOM 1141 N ASP A 87 -13.970 -1.614 -13.037 1.00 0.00 N ATOM 1142 CA ASP A 87 -13.061 -1.049 -14.028 1.00 0.00 C ATOM 1143 C ASP A 87 -12.701 0.391 -13.676 1.00 0.00 C ATOM 1144 O ASP A 87 -13.327 1.005 -12.812 1.00 0.00 O ATOM 1145 CB ASP A 87 -13.693 -1.104 -15.420 1.00 0.00 C ATOM 1146 CG ASP A 87 -12.701 -1.515 -16.490 1.00 0.00 C ATOM 1147 OD1 ASP A 87 -11.694 -0.799 -16.672 1.00 0.00 O ATOM 1148 OD2 ASP A 87 -12.931 -2.552 -17.146 1.00 0.00 O ATOM 0 H ASP A 87 -13.593 -2.411 -12.525 1.00 0.00 H new ATOM 0 HA ASP A 87 -12.147 -1.643 -14.028 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.525 -1.808 -15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.106 -0.126 -15.667 1.00 0.00 H new ATOM 1152 N ALA A 88 -11.687 0.925 -14.351 1.00 0.00 N ATOM 1153 CA ALA A 88 -11.245 2.292 -14.110 1.00 0.00 C ATOM 1154 C ALA A 88 -10.149 2.694 -15.091 1.00 0.00 C ATOM 1155 O ALA A 88 -9.677 1.876 -15.881 1.00 0.00 O ATOM 1156 CB ALA A 88 -10.754 2.443 -12.678 1.00 0.00 C ATOM 0 H ALA A 88 -11.157 0.431 -15.069 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.096 2.956 -14.263 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -10.427 3.469 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.564 2.204 -11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.919 1.764 -12.506 1.00 0.00 H new ATOM 1162 N ALA A 89 -9.748 3.961 -15.037 1.00 0.00 N ATOM 1163 CA ALA A 89 -8.707 4.471 -15.920 1.00 0.00 C ATOM 1164 C ALA A 89 -7.319 4.193 -15.352 1.00 0.00 C ATOM 1165 O ALA A 89 -6.351 4.049 -16.097 1.00 0.00 O ATOM 1166 CB ALA A 89 -8.896 5.963 -16.150 1.00 0.00 C ATOM 0 H ALA A 89 -10.129 4.652 -14.391 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.789 3.953 -16.875 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.112 6.331 -16.811 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.869 6.140 -16.607 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.842 6.488 -15.196 1.00 0.00 H new ATOM 1172 N ALA A 90 -7.232 4.118 -14.028 1.00 0.00 N ATOM 1173 CA ALA A 90 -5.964 3.856 -13.360 1.00 0.00 C ATOM 1174 C ALA A 90 -5.457 2.452 -13.674 1.00 0.00 C ATOM 1175 O ALA A 90 -4.254 2.193 -13.643 1.00 0.00 O ATOM 1176 CB ALA A 90 -6.109 4.041 -11.857 1.00 0.00 C ATOM 0 H ALA A 90 -8.025 4.235 -13.397 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.232 4.572 -13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.153 3.842 -11.372 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.417 5.065 -11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.860 3.349 -11.476 1.00 0.00 H new ATOM 1182 N ALA A 91 -6.384 1.548 -13.978 1.00 0.00 N ATOM 1183 CA ALA A 91 -6.031 0.171 -14.299 1.00 0.00 C ATOM 1184 C ALA A 91 -5.175 0.103 -15.559 1.00 0.00 C ATOM 1185 O ALA A 91 -4.395 -0.831 -15.743 1.00 0.00 O ATOM 1186 CB ALA A 91 -7.287 -0.670 -14.467 1.00 0.00 C ATOM 0 H ALA A 91 -7.384 1.745 -14.008 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.446 -0.230 -13.471 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.008 -1.696 -14.707 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.861 -0.657 -13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.894 -0.261 -15.275 1.00 0.00 H new ATOM 1192 N SER A 92 -5.326 1.100 -16.427 1.00 0.00 N ATOM 1193 CA SER A 92 -4.570 1.150 -17.672 1.00 0.00 C ATOM 1194 C SER A 92 -3.218 1.825 -17.460 1.00 0.00 C ATOM 1195 O SER A 92 -2.171 1.255 -17.769 1.00 0.00 O ATOM 1196 CB SER A 92 -5.364 1.899 -18.745 1.00 0.00 C ATOM 1197 OG SER A 92 -6.036 0.997 -19.605 1.00 0.00 O ATOM 0 H SER A 92 -5.965 1.883 -16.290 1.00 0.00 H new ATOM 0 HA SER A 92 -4.397 0.127 -18.005 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.088 2.561 -18.270 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.691 2.528 -19.327 1.00 0.00 H new ATOM 0 HG SER A 92 -6.537 1.501 -20.280 1.00 0.00 H new ATOM 1202 N THR A 93 -3.249 3.043 -16.930 1.00 0.00 N ATOM 1203 CA THR A 93 -2.027 3.797 -16.677 1.00 0.00 C ATOM 1204 C THR A 93 -1.283 4.090 -17.975 1.00 0.00 C ATOM 1205 O THR A 93 -1.727 3.705 -19.056 1.00 0.00 O ATOM 1206 CB THR A 93 -1.088 3.039 -15.719 1.00 0.00 C ATOM 1207 OG1 THR A 93 -1.815 2.021 -15.024 1.00 0.00 O ATOM 1208 CG2 THR A 93 -0.455 3.992 -14.717 1.00 0.00 C ATOM 0 H THR A 93 -4.107 3.529 -16.667 1.00 0.00 H new ATOM 0 HA THR A 93 -2.325 4.737 -16.213 1.00 0.00 H new ATOM 0 HB THR A 93 -0.296 2.579 -16.310 1.00 0.00 H new ATOM 0 HG1 THR A 93 -2.600 2.417 -14.591 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.204 3.435 -14.051 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.122 4.748 -15.249 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.237 4.477 -14.132 1.00 0.00 H new ATOM 1216 N TYR A 94 -0.149 4.772 -17.859 1.00 0.00 N ATOM 1217 CA TYR A 94 0.657 5.118 -19.025 1.00 0.00 C ATOM 1218 C TYR A 94 2.056 5.561 -18.608 1.00 0.00 C ATOM 1219 O TYR A 94 2.262 6.047 -17.496 1.00 0.00 O ATOM 1220 CB TYR A 94 -0.023 6.228 -19.830 1.00 0.00 C ATOM 1221 CG TYR A 94 -0.203 7.514 -19.055 1.00 0.00 C ATOM 1222 CD1 TYR A 94 -1.328 7.722 -18.268 1.00 0.00 C ATOM 1223 CD2 TYR A 94 0.753 8.522 -19.112 1.00 0.00 C ATOM 1224 CE1 TYR A 94 -1.497 8.896 -17.559 1.00 0.00 C ATOM 1225 CE2 TYR A 94 0.593 9.698 -18.405 1.00 0.00 C ATOM 1226 CZ TYR A 94 -0.533 9.880 -17.630 1.00 0.00 C ATOM 1227 OH TYR A 94 -0.697 11.051 -16.926 1.00 0.00 O ATOM 0 H TYR A 94 0.233 5.096 -16.971 1.00 0.00 H new ATOM 0 HA TYR A 94 0.748 4.229 -19.649 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.567 6.431 -20.723 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.998 5.876 -20.166 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.084 6.953 -18.209 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.635 8.383 -19.719 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.379 9.042 -16.953 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.346 10.471 -18.459 1.00 0.00 H new ATOM 0 HH TYR A 94 0.072 11.638 -17.084 1.00 0.00 H new ATOM 1236 N THR A 95 3.017 5.388 -19.510 1.00 0.00 N ATOM 1237 CA THR A 95 4.398 5.769 -19.238 1.00 0.00 C ATOM 1238 C THR A 95 5.026 6.456 -20.445 1.00 0.00 C ATOM 1239 O THR A 95 4.874 6.004 -21.579 1.00 0.00 O ATOM 1240 CB THR A 95 5.251 4.546 -18.855 1.00 0.00 C ATOM 1241 OG1 THR A 95 5.494 3.735 -20.011 1.00 0.00 O ATOM 1242 CG2 THR A 95 4.560 3.715 -17.784 1.00 0.00 C ATOM 0 H THR A 95 2.865 4.987 -20.435 1.00 0.00 H new ATOM 0 HA THR A 95 4.376 6.465 -18.399 1.00 0.00 H new ATOM 0 HB THR A 95 6.200 4.906 -18.457 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.039 2.960 -19.759 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.183 2.857 -17.531 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.404 4.325 -16.894 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.597 3.367 -18.158 1.00 0.00 H new ATOM 1250 N GLY A 96 5.736 7.552 -20.192 1.00 0.00 N ATOM 1251 CA GLY A 96 6.378 8.283 -21.268 1.00 0.00 C ATOM 1252 C GLY A 96 7.889 8.166 -21.229 1.00 0.00 C ATOM 1253 O GLY A 96 8.428 7.095 -20.948 1.00 0.00 O ATOM 0 H GLY A 96 5.878 7.946 -19.262 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.013 7.910 -22.225 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.097 9.334 -21.207 1.00 0.00 H new ATOM 1257 N PHE A 97 8.574 9.269 -21.513 1.00 0.00 N ATOM 1258 CA PHE A 97 10.033 9.284 -21.511 1.00 0.00 C ATOM 1259 C PHE A 97 10.565 10.354 -20.563 1.00 0.00 C ATOM 1260 O PHE A 97 9.785 10.926 -19.802 1.00 0.00 O ATOM 1261 CB PHE A 97 10.563 9.528 -22.925 1.00 0.00 C ATOM 1262 CG PHE A 97 11.392 8.395 -23.459 1.00 0.00 C ATOM 1263 CD1 PHE A 97 10.789 7.312 -24.079 1.00 0.00 C ATOM 1264 CD2 PHE A 97 12.772 8.414 -23.342 1.00 0.00 C ATOM 1265 CE1 PHE A 97 11.549 6.268 -24.571 1.00 0.00 C ATOM 1266 CE2 PHE A 97 13.537 7.372 -23.833 1.00 0.00 C ATOM 1267 CZ PHE A 97 12.925 6.298 -24.449 1.00 0.00 C ATOM 0 H PHE A 97 8.143 10.163 -21.747 1.00 0.00 H new ATOM 0 HA PHE A 97 10.381 8.311 -21.163 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.721 9.699 -23.596 1.00 0.00 H new ATOM 0 HB3 PHE A 97 11.162 10.439 -22.928 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.714 7.284 -24.179 1.00 0.00 H new ATOM 0 HD2 PHE A 97 13.256 9.252 -22.862 1.00 0.00 H new ATOM 0 HE1 PHE A 97 11.068 5.429 -25.051 1.00 0.00 H new ATOM 0 HE2 PHE A 97 14.612 7.398 -23.735 1.00 0.00 H new ATOM 0 HZ PHE A 97 13.520 5.484 -24.834 1.00 0.00 H new TER 1276 PHE A 97 ATOM 1277 N SER B 601 8.306 34.662 -3.351 1.00 0.00 N ATOM 1278 CA SER B 601 8.506 34.858 -1.920 1.00 0.00 C ATOM 1279 C SER B 601 7.277 35.499 -1.282 1.00 0.00 C ATOM 1280 O SER B 601 6.829 36.564 -1.705 1.00 0.00 O ATOM 1281 CB SER B 601 9.737 35.730 -1.670 1.00 0.00 C ATOM 1282 OG SER B 601 10.919 35.079 -2.103 1.00 0.00 O ATOM 0 HA SER B 601 8.663 33.881 -1.464 1.00 0.00 H new ATOM 0 HB2 SER B 601 9.627 36.679 -2.195 1.00 0.00 H new ATOM 0 HB3 SER B 601 9.813 35.961 -0.607 1.00 0.00 H new ATOM 0 HG SER B 601 10.698 34.432 -2.805 1.00 0.00 H new ATOM 1287 N MET B 602 6.736 34.841 -0.262 1.00 0.00 N ATOM 1288 CA MET B 602 5.560 35.347 0.436 1.00 0.00 C ATOM 1289 C MET B 602 5.686 35.134 1.941 1.00 0.00 C ATOM 1290 O MET B 602 5.023 34.269 2.513 1.00 0.00 O ATOM 1291 CB MET B 602 4.297 34.658 -0.085 1.00 0.00 C ATOM 1292 CG MET B 602 3.607 35.418 -1.205 1.00 0.00 C ATOM 1293 SD MET B 602 2.937 34.328 -2.475 1.00 0.00 S ATOM 1294 CE MET B 602 1.420 33.786 -1.691 1.00 0.00 C ATOM 0 H MET B 602 7.093 33.957 0.099 1.00 0.00 H new ATOM 0 HA MET B 602 5.487 36.418 0.245 1.00 0.00 H new ATOM 0 HB2 MET B 602 4.558 33.661 -0.441 1.00 0.00 H new ATOM 0 HB3 MET B 602 3.597 34.529 0.740 1.00 0.00 H new ATOM 0 HG2 MET B 602 2.801 36.021 -0.787 1.00 0.00 H new ATOM 0 HG3 MET B 602 4.317 36.108 -1.662 1.00 0.00 H new ATOM 0 HE1 MET B 602 0.891 33.103 -2.356 1.00 0.00 H new ATOM 0 HE2 MET B 602 1.655 33.274 -0.758 1.00 0.00 H new ATOM 0 HE3 MET B 602 0.790 34.650 -1.482 1.00 0.00 H new ATOM 1302 N SER B 603 6.543 35.926 2.576 1.00 0.00 N ATOM 1303 CA SER B 603 6.760 35.821 4.015 1.00 0.00 C ATOM 1304 C SER B 603 6.321 37.098 4.724 1.00 0.00 C ATOM 1305 O SER B 603 5.990 37.079 5.910 1.00 0.00 O ATOM 1306 CB SER B 603 8.234 35.540 4.310 1.00 0.00 C ATOM 1307 OG SER B 603 9.015 36.715 4.176 1.00 0.00 O ATOM 0 H SER B 603 7.099 36.648 2.117 1.00 0.00 H new ATOM 0 HA SER B 603 6.158 34.993 4.390 1.00 0.00 H new ATOM 0 HB2 SER B 603 8.337 35.145 5.321 1.00 0.00 H new ATOM 0 HB3 SER B 603 8.605 34.774 3.629 1.00 0.00 H new ATOM 0 HG SER B 603 9.953 36.509 4.372 1.00 0.00 H new ATOM 1312 N GLN B 604 6.321 38.206 3.990 1.00 0.00 N ATOM 1313 CA GLN B 604 5.925 39.493 4.549 1.00 0.00 C ATOM 1314 C GLN B 604 4.426 39.720 4.383 1.00 0.00 C ATOM 1315 O GLN B 604 3.927 40.823 4.608 1.00 0.00 O ATOM 1316 CB GLN B 604 6.702 40.627 3.877 1.00 0.00 C ATOM 1317 CG GLN B 604 6.340 40.828 2.415 1.00 0.00 C ATOM 1318 CD GLN B 604 7.555 40.823 1.508 1.00 0.00 C ATOM 1319 OE1 GLN B 604 8.329 41.780 1.482 1.00 0.00 O ATOM 1320 NE2 GLN B 604 7.728 39.742 0.757 1.00 0.00 N ATOM 0 H GLN B 604 6.591 38.238 3.007 1.00 0.00 H new ATOM 0 HA GLN B 604 6.158 39.485 5.614 1.00 0.00 H new ATOM 0 HB2 GLN B 604 6.517 41.554 4.419 1.00 0.00 H new ATOM 0 HB3 GLN B 604 7.769 40.420 3.953 1.00 0.00 H new ATOM 0 HG2 GLN B 604 5.655 40.040 2.103 1.00 0.00 H new ATOM 0 HG3 GLN B 604 5.811 41.774 2.302 1.00 0.00 H new ATOM 0 HE21 GLN B 604 7.061 38.972 0.811 1.00 0.00 H new ATOM 0 HE22 GLN B 604 8.528 39.682 0.127 1.00 0.00 H new ATOM 1327 N ILE B 605 3.714 38.670 3.988 1.00 0.00 N ATOM 1328 CA ILE B 605 2.272 38.755 3.792 1.00 0.00 C ATOM 1329 C ILE B 605 1.532 38.695 5.125 1.00 0.00 C ATOM 1330 O ILE B 605 0.950 39.683 5.567 1.00 0.00 O ATOM 1331 CB ILE B 605 1.760 37.625 2.882 1.00 0.00 C ATOM 1332 CG1 ILE B 605 2.620 37.526 1.620 1.00 0.00 C ATOM 1333 CG2 ILE B 605 0.301 37.857 2.517 1.00 0.00 C ATOM 1334 CD1 ILE B 605 2.689 38.816 0.834 1.00 0.00 C ATOM 0 H ILE B 605 4.112 37.750 3.797 1.00 0.00 H new ATOM 0 HA ILE B 605 2.075 39.714 3.312 1.00 0.00 H new ATOM 0 HB ILE B 605 1.833 36.682 3.424 1.00 0.00 H new ATOM 0 HG12 ILE B 605 3.630 37.226 1.901 1.00 0.00 H new ATOM 0 HG13 ILE B 605 2.221 36.740 0.979 1.00 0.00 H new ATOM 0 HG21 ILE B 605 -0.046 37.049 1.873 1.00 0.00 H new ATOM 0 HG22 ILE B 605 -0.302 37.882 3.425 1.00 0.00 H new ATOM 0 HG23 ILE B 605 0.204 38.807 1.991 1.00 0.00 H new ATOM 0 HD11 ILE B 605 3.315 38.672 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE B 605 1.686 39.106 0.523 1.00 0.00 H new ATOM 0 HD13 ILE B 605 3.116 39.600 1.459 1.00 0.00 H new ATOM 1345 N MET B 606 1.561 37.527 5.758 1.00 0.00 N ATOM 1346 CA MET B 606 0.895 37.338 7.043 1.00 0.00 C ATOM 1347 C MET B 606 1.434 36.104 7.757 1.00 0.00 C ATOM 1348 O MET B 606 0.668 35.258 8.220 1.00 0.00 O ATOM 1349 CB MET B 606 -0.617 37.208 6.843 1.00 0.00 C ATOM 1350 CG MET B 606 -1.010 36.081 5.902 1.00 0.00 C ATOM 1351 SD MET B 606 -2.430 35.142 6.498 1.00 0.00 S ATOM 1352 CE MET B 606 -3.606 36.460 6.792 1.00 0.00 C ATOM 0 H MET B 606 2.038 36.698 5.403 1.00 0.00 H new ATOM 0 HA MET B 606 1.098 38.212 7.662 1.00 0.00 H new ATOM 0 HB2 MET B 606 -1.091 37.044 7.811 1.00 0.00 H new ATOM 0 HB3 MET B 606 -1.006 38.149 6.453 1.00 0.00 H new ATOM 0 HG2 MET B 606 -1.240 36.496 4.920 1.00 0.00 H new ATOM 0 HG3 MET B 606 -0.162 35.408 5.773 1.00 0.00 H new ATOM 0 HE1 MET B 606 -4.619 36.061 6.746 1.00 0.00 H new ATOM 0 HE2 MET B 606 -3.430 36.891 7.778 1.00 0.00 H new ATOM 0 HE3 MET B 606 -3.485 37.232 6.032 1.00 0.00 H new ATOM 1360 N TYR B 607 2.756 36.006 7.846 1.00 0.00 N ATOM 1361 CA TYR B 607 3.396 34.874 8.503 1.00 0.00 C ATOM 1362 C TYR B 607 4.302 35.343 9.639 1.00 0.00 C ATOM 1363 O TYR B 607 5.526 35.268 9.542 1.00 0.00 O ATOM 1364 CB TYR B 607 4.208 34.062 7.491 1.00 0.00 C ATOM 1365 CG TYR B 607 3.400 33.600 6.299 1.00 0.00 C ATOM 1366 CD1 TYR B 607 3.121 34.462 5.247 1.00 0.00 C ATOM 1367 CD2 TYR B 607 2.917 32.299 6.226 1.00 0.00 C ATOM 1368 CE1 TYR B 607 2.382 34.044 4.157 1.00 0.00 C ATOM 1369 CE2 TYR B 607 2.180 31.871 5.139 1.00 0.00 C ATOM 1370 CZ TYR B 607 1.914 32.747 4.107 1.00 0.00 C ATOM 1371 OH TYR B 607 1.180 32.326 3.022 1.00 0.00 O ATOM 0 H TYR B 607 3.405 36.698 7.471 1.00 0.00 H new ATOM 0 HA TYR B 607 2.614 34.242 8.923 1.00 0.00 H new ATOM 0 HB2 TYR B 607 5.045 34.666 7.140 1.00 0.00 H new ATOM 0 HB3 TYR B 607 4.631 33.191 7.992 1.00 0.00 H new ATOM 0 HD1 TYR B 607 3.488 35.477 5.281 1.00 0.00 H new ATOM 0 HD2 TYR B 607 3.121 31.611 7.033 1.00 0.00 H new ATOM 0 HE1 TYR B 607 2.172 34.729 3.349 1.00 0.00 H new ATOM 0 HE2 TYR B 607 1.814 30.856 5.097 1.00 0.00 H new ATOM 0 HH TYR B 607 0.928 31.387 3.142 1.00 0.00 H new ATOM 1380 N ASN B 608 3.689 35.826 10.714 1.00 0.00 N ATOM 1381 CA ASN B 608 4.437 36.308 11.868 1.00 0.00 C ATOM 1382 C ASN B 608 5.242 35.178 12.505 1.00 0.00 C ATOM 1383 O ASN B 608 6.469 35.243 12.580 1.00 0.00 O ATOM 1384 CB ASN B 608 3.486 36.917 12.901 1.00 0.00 C ATOM 1385 CG ASN B 608 3.579 38.430 12.951 1.00 0.00 C ATOM 1386 OD1 ASN B 608 3.077 39.123 12.067 1.00 0.00 O ATOM 1387 ND2 ASN B 608 4.224 38.949 13.990 1.00 0.00 N ATOM 0 H ASN B 608 2.676 35.894 10.810 1.00 0.00 H new ATOM 0 HA ASN B 608 5.130 37.076 11.525 1.00 0.00 H new ATOM 0 HB2 ASN B 608 2.462 36.626 12.664 1.00 0.00 H new ATOM 0 HB3 ASN B 608 3.714 36.509 13.886 1.00 0.00 H new ATOM 0 HD21 ASN B 608 4.319 39.961 14.078 1.00 0.00 H new ATOM 0 HD22 ASN B 608 4.625 38.336 14.700 1.00 0.00 H new ATOM 1393 N TYR B 609 4.543 34.146 12.961 1.00 0.00 N ATOM 1394 CA TYR B 609 5.191 33.003 13.591 1.00 0.00 C ATOM 1395 C TYR B 609 4.696 31.693 12.986 1.00 0.00 C ATOM 1396 O TYR B 609 3.638 31.628 12.360 1.00 0.00 O ATOM 1397 CB TYR B 609 4.932 33.011 15.099 1.00 0.00 C ATOM 1398 CG TYR B 609 6.095 33.537 15.910 1.00 0.00 C ATOM 1399 CD1 TYR B 609 6.632 34.793 15.657 1.00 0.00 C ATOM 1400 CD2 TYR B 609 6.653 32.779 16.931 1.00 0.00 C ATOM 1401 CE1 TYR B 609 7.694 35.277 16.395 1.00 0.00 C ATOM 1402 CE2 TYR B 609 7.715 33.256 17.676 1.00 0.00 C ATOM 1403 CZ TYR B 609 8.231 34.505 17.404 1.00 0.00 C ATOM 1404 OH TYR B 609 9.289 34.985 18.143 1.00 0.00 O ATOM 0 H TYR B 609 3.527 34.077 12.906 1.00 0.00 H new ATOM 0 HA TYR B 609 6.263 33.082 13.412 1.00 0.00 H new ATOM 0 HB2 TYR B 609 4.052 33.620 15.305 1.00 0.00 H new ATOM 0 HB3 TYR B 609 4.702 31.997 15.425 1.00 0.00 H new ATOM 0 HD1 TYR B 609 6.212 35.401 14.870 1.00 0.00 H new ATOM 0 HD2 TYR B 609 6.250 31.800 17.147 1.00 0.00 H new ATOM 0 HE1 TYR B 609 8.102 36.254 16.183 1.00 0.00 H new ATOM 0 HE2 TYR B 609 8.138 32.654 18.466 1.00 0.00 H new ATOM 0 HH TYR B 609 9.548 34.319 18.814 1.00 0.00 H new ATOM 1413 N PRO B 610 5.480 30.620 13.177 1.00 0.00 N ATOM 1414 CA PRO B 610 5.142 29.291 12.659 1.00 0.00 C ATOM 1415 C PRO B 610 3.951 28.672 13.383 1.00 0.00 C ATOM 1416 O PRO B 610 4.117 27.816 14.252 1.00 0.00 O ATOM 1417 CB PRO B 610 6.411 28.476 12.922 1.00 0.00 C ATOM 1418 CG PRO B 610 7.072 29.161 14.068 1.00 0.00 C ATOM 1419 CD PRO B 610 6.755 30.624 13.914 1.00 0.00 C ATOM 0 HA PRO B 610 4.850 29.324 11.609 1.00 0.00 H new ATOM 0 HB2 PRO B 610 6.173 27.440 13.164 1.00 0.00 H new ATOM 0 HB3 PRO B 610 7.058 28.458 12.045 1.00 0.00 H new ATOM 0 HG2 PRO B 610 6.700 28.779 15.019 1.00 0.00 H new ATOM 0 HG3 PRO B 610 8.149 28.991 14.056 1.00 0.00 H new ATOM 0 HD2 PRO B 610 6.659 31.118 14.881 1.00 0.00 H new ATOM 0 HD3 PRO B 610 7.536 31.149 13.364 1.00 0.00 H new ATOM 1424 N ALA B 611 2.751 29.110 13.020 1.00 0.00 N ATOM 1425 CA ALA B 611 1.532 28.597 13.633 1.00 0.00 C ATOM 1426 C ALA B 611 1.129 27.260 13.018 1.00 0.00 C ATOM 1427 O ALA B 611 1.091 26.239 13.703 1.00 0.00 O ATOM 1428 CB ALA B 611 0.404 29.608 13.491 1.00 0.00 C ATOM 0 H ALA B 611 2.596 29.820 12.304 1.00 0.00 H new ATOM 0 HA ALA B 611 1.728 28.435 14.693 1.00 0.00 H new ATOM 0 HB1 ALA B 611 -0.500 29.212 13.953 1.00 0.00 H new ATOM 0 HB2 ALA B 611 0.685 30.539 13.984 1.00 0.00 H new ATOM 0 HB3 ALA B 611 0.217 29.799 12.434 1.00 0.00 H new ATOM 1434 N MET B 612 0.827 27.277 11.725 1.00 0.00 N ATOM 1435 CA MET B 612 0.427 26.065 11.018 1.00 0.00 C ATOM 1436 C MET B 612 1.639 25.365 10.411 1.00 0.00 C ATOM 1437 O MET B 612 1.755 24.140 10.472 1.00 0.00 O ATOM 1438 CB MET B 612 -0.586 26.400 9.922 1.00 0.00 C ATOM 1439 CG MET B 612 -2.033 26.289 10.377 1.00 0.00 C ATOM 1440 SD MET B 612 -2.897 27.870 10.333 1.00 0.00 S ATOM 1441 CE MET B 612 -3.632 27.810 8.701 1.00 0.00 C ATOM 0 H MET B 612 0.851 28.116 11.145 1.00 0.00 H new ATOM 0 HA MET B 612 -0.037 25.390 11.737 1.00 0.00 H new ATOM 0 HB2 MET B 612 -0.402 27.414 9.566 1.00 0.00 H new ATOM 0 HB3 MET B 612 -0.428 25.732 9.076 1.00 0.00 H new ATOM 0 HG2 MET B 612 -2.556 25.575 9.741 1.00 0.00 H new ATOM 0 HG3 MET B 612 -2.061 25.892 11.392 1.00 0.00 H new ATOM 0 HE1 MET B 612 -4.202 28.722 8.525 1.00 0.00 H new ATOM 0 HE2 MET B 612 -2.846 27.722 7.951 1.00 0.00 H new ATOM 0 HE3 MET B 612 -4.296 26.949 8.633 1.00 0.00 H new ATOM 1449 N LEU B 613 2.537 26.148 9.825 1.00 0.00 N ATOM 1450 CA LEU B 613 3.741 25.603 9.206 1.00 0.00 C ATOM 1451 C LEU B 613 4.533 24.764 10.204 1.00 0.00 C ATOM 1452 O LEU B 613 4.721 25.162 11.353 1.00 0.00 O ATOM 1453 CB LEU B 613 4.615 26.733 8.663 1.00 0.00 C ATOM 1454 CG LEU B 613 5.332 26.452 7.342 1.00 0.00 C ATOM 1455 CD1 LEU B 613 4.335 26.408 6.193 1.00 0.00 C ATOM 1456 CD2 LEU B 613 6.402 27.502 7.081 1.00 0.00 C ATOM 0 H LEU B 613 2.455 27.163 9.765 1.00 0.00 H new ATOM 0 HA LEU B 613 3.437 24.960 8.380 1.00 0.00 H new ATOM 0 HB2 LEU B 613 3.991 27.618 8.534 1.00 0.00 H new ATOM 0 HB3 LEU B 613 5.365 26.979 9.415 1.00 0.00 H new ATOM 0 HG LEU B 613 5.817 25.478 7.414 1.00 0.00 H new ATOM 0 HD11 LEU B 613 4.863 26.207 5.261 1.00 0.00 H new ATOM 0 HD12 LEU B 613 3.605 25.619 6.374 1.00 0.00 H new ATOM 0 HD13 LEU B 613 3.822 27.367 6.120 1.00 0.00 H new ATOM 0 HD21 LEU B 613 6.902 27.286 6.137 1.00 0.00 H new ATOM 0 HD22 LEU B 613 5.940 28.488 7.029 1.00 0.00 H new ATOM 0 HD23 LEU B 613 7.132 27.486 7.890 1.00 0.00 H new ATOM 1467 N GLY B 614 4.999 23.602 9.755 1.00 0.00 N ATOM 1468 CA GLY B 614 5.767 22.727 10.620 1.00 0.00 C ATOM 1469 C GLY B 614 5.028 21.449 10.959 1.00 0.00 C ATOM 1470 O GLY B 614 4.232 20.953 10.160 1.00 0.00 O ATOM 0 H GLY B 614 4.858 23.252 8.807 1.00 0.00 H new ATOM 0 HA2 GLY B 614 6.711 22.479 10.134 1.00 0.00 H new ATOM 0 HA3 GLY B 614 6.012 23.256 11.541 1.00 0.00 H new ATOM 1474 N HIS B 615 5.289 20.911 12.146 1.00 0.00 N ATOM 1475 CA HIS B 615 4.642 19.682 12.588 1.00 0.00 C ATOM 1476 C HIS B 615 3.540 19.980 13.600 1.00 0.00 C ATOM 1477 O HIS B 615 3.387 21.116 14.048 1.00 0.00 O ATOM 1478 CB HIS B 615 5.670 18.731 13.202 1.00 0.00 C ATOM 1479 CG HIS B 615 5.538 17.317 12.725 1.00 0.00 C ATOM 1480 ND1 HIS B 615 5.244 16.819 11.501 1.00 0.00 N flip ATOM 1481 CD2 HIS B 615 5.715 16.225 13.549 1.00 0.00 C flip ATOM 1482 CE1 HIS B 615 5.249 15.450 11.607 1.00 0.00 C flip ATOM 1483 NE2 HIS B 615 5.537 15.118 12.852 1.00 0.00 N flip ATOM 0 H HIS B 615 5.945 21.308 12.819 1.00 0.00 H new ATOM 0 HA HIS B 615 4.192 19.206 11.717 1.00 0.00 H new ATOM 0 HB2 HIS B 615 6.672 19.092 12.969 1.00 0.00 H new ATOM 0 HB3 HIS B 615 5.568 18.751 14.287 1.00 0.00 H new ATOM 0 HD2 HIS B 615 5.961 16.269 14.600 1.00 0.00 H new ATOM 0 HE1 HIS B 615 5.050 14.757 10.803 1.00 0.00 H new ATOM 0 HE2 HIS B 615 5.610 14.167 13.214 1.00 0.00 H new ATOM 1490 N ALA B 616 2.774 18.953 13.955 1.00 0.00 N ATOM 1491 CA ALA B 616 1.689 19.106 14.916 1.00 0.00 C ATOM 1492 C ALA B 616 1.076 17.755 15.272 1.00 0.00 C ATOM 1493 O ALA B 616 -0.139 17.576 15.203 1.00 0.00 O ATOM 1494 CB ALA B 616 0.623 20.041 14.362 1.00 0.00 C ATOM 0 H ALA B 616 2.885 18.007 13.591 1.00 0.00 H new ATOM 0 HA ALA B 616 2.101 19.540 15.827 1.00 0.00 H new ATOM 0 HB1 ALA B 616 -0.182 20.147 15.089 1.00 0.00 H new ATOM 0 HB2 ALA B 616 1.064 21.018 14.164 1.00 0.00 H new ATOM 0 HB3 ALA B 616 0.223 19.628 13.436 1.00 0.00 H new ATOM 1500 N GLY B 617 1.927 16.807 15.652 1.00 0.00 N ATOM 1501 CA GLY B 617 1.451 15.485 16.012 1.00 0.00 C ATOM 1502 C GLY B 617 2.343 14.381 15.477 1.00 0.00 C ATOM 1503 O GLY B 617 3.568 14.494 15.511 1.00 0.00 O ATOM 0 H GLY B 617 2.937 16.931 15.717 1.00 0.00 H new ATOM 0 HA2 GLY B 617 1.393 15.407 17.098 1.00 0.00 H new ATOM 0 HA3 GLY B 617 0.440 15.349 15.628 1.00 0.00 H new ATOM 1507 N ASP B 618 1.728 13.313 14.984 1.00 0.00 N ATOM 1508 CA ASP B 618 2.474 12.184 14.441 1.00 0.00 C ATOM 1509 C ASP B 618 1.844 11.690 13.142 1.00 0.00 C ATOM 1510 O ASP B 618 1.220 10.631 13.107 1.00 0.00 O ATOM 1511 CB ASP B 618 2.530 11.044 15.459 1.00 0.00 C ATOM 1512 CG ASP B 618 3.294 11.426 16.713 1.00 0.00 C ATOM 1513 OD1 ASP B 618 4.542 11.427 16.670 1.00 0.00 O ATOM 1514 OD2 ASP B 618 2.643 11.723 17.736 1.00 0.00 O ATOM 0 H ASP B 618 0.714 13.205 14.949 1.00 0.00 H new ATOM 0 HA ASP B 618 3.488 12.521 14.228 1.00 0.00 H new ATOM 0 HB2 ASP B 618 1.515 10.752 15.730 1.00 0.00 H new ATOM 0 HB3 ASP B 618 3.001 10.174 15.001 1.00 0.00 H new ATOM 1518 N MET B 619 2.011 12.468 12.076 1.00 0.00 N ATOM 1519 CA MET B 619 1.459 12.109 10.775 1.00 0.00 C ATOM 1520 C MET B 619 2.363 11.112 10.057 1.00 0.00 C ATOM 1521 O MET B 619 1.885 10.192 9.395 1.00 0.00 O ATOM 1522 CB MET B 619 1.273 13.359 9.915 1.00 0.00 C ATOM 1523 CG MET B 619 -0.102 13.993 10.051 1.00 0.00 C ATOM 1524 SD MET B 619 -0.067 15.533 10.989 1.00 0.00 S ATOM 1525 CE MET B 619 -0.507 14.945 12.622 1.00 0.00 C ATOM 0 H MET B 619 2.524 13.350 12.088 1.00 0.00 H new ATOM 0 HA MET B 619 0.488 11.640 10.936 1.00 0.00 H new ATOM 0 HB2 MET B 619 2.031 14.093 10.188 1.00 0.00 H new ATOM 0 HB3 MET B 619 1.442 13.099 8.870 1.00 0.00 H new ATOM 0 HG2 MET B 619 -0.509 14.186 9.058 1.00 0.00 H new ATOM 0 HG3 MET B 619 -0.776 13.289 10.540 1.00 0.00 H new ATOM 0 HE1 MET B 619 -0.011 15.558 13.375 1.00 0.00 H new ATOM 0 HE2 MET B 619 -1.587 15.011 12.754 1.00 0.00 H new ATOM 0 HE3 MET B 619 -0.191 13.908 12.733 1.00 0.00 H new ATOM 1533 N ALA B 620 3.672 11.303 10.192 1.00 0.00 N ATOM 1534 CA ALA B 620 4.642 10.421 9.557 1.00 0.00 C ATOM 1535 C ALA B 620 4.363 8.961 9.899 1.00 0.00 C ATOM 1536 O ALA B 620 4.635 8.064 9.103 1.00 0.00 O ATOM 1537 CB ALA B 620 6.054 10.801 9.974 1.00 0.00 C ATOM 0 H ALA B 620 4.084 12.061 10.736 1.00 0.00 H new ATOM 0 HA ALA B 620 4.550 10.539 8.477 1.00 0.00 H new ATOM 0 HB1 ALA B 620 6.768 10.133 9.492 1.00 0.00 H new ATOM 0 HB2 ALA B 620 6.258 11.829 9.673 1.00 0.00 H new ATOM 0 HB3 ALA B 620 6.150 10.714 11.056 1.00 0.00 H new ATOM 1543 N GLY B 621 3.818 8.730 11.090 1.00 0.00 N ATOM 1544 CA GLY B 621 3.511 7.378 11.517 1.00 0.00 C ATOM 1545 C GLY B 621 2.319 6.795 10.784 1.00 0.00 C ATOM 1546 O GLY B 621 2.350 5.642 10.352 1.00 0.00 O ATOM 0 H GLY B 621 3.584 9.456 11.767 1.00 0.00 H new ATOM 0 HA2 GLY B 621 4.381 6.742 11.353 1.00 0.00 H new ATOM 0 HA3 GLY B 621 3.312 7.375 12.589 1.00 0.00 H new ATOM 1550 N TYR B 622 1.266 7.591 10.643 1.00 0.00 N ATOM 1551 CA TYR B 622 0.056 7.147 9.962 1.00 0.00 C ATOM 1552 C TYR B 622 0.383 6.591 8.579 1.00 0.00 C ATOM 1553 O TYR B 622 -0.123 5.541 8.184 1.00 0.00 O ATOM 1554 CB TYR B 622 -0.939 8.301 9.837 1.00 0.00 C ATOM 1555 CG TYR B 622 -2.062 8.245 10.849 1.00 0.00 C ATOM 1556 CD1 TYR B 622 -2.857 7.113 10.970 1.00 0.00 C ATOM 1557 CD2 TYR B 622 -2.326 9.323 11.683 1.00 0.00 C ATOM 1558 CE1 TYR B 622 -3.884 7.057 11.893 1.00 0.00 C ATOM 1559 CE2 TYR B 622 -3.350 9.276 12.609 1.00 0.00 C ATOM 1560 CZ TYR B 622 -4.127 8.141 12.710 1.00 0.00 C ATOM 1561 OH TYR B 622 -5.148 8.089 13.631 1.00 0.00 O ATOM 0 H TYR B 622 1.226 8.549 10.992 1.00 0.00 H new ATOM 0 HA TYR B 622 -0.394 6.352 10.557 1.00 0.00 H new ATOM 0 HB2 TYR B 622 -0.405 9.244 9.951 1.00 0.00 H new ATOM 0 HB3 TYR B 622 -1.365 8.295 8.834 1.00 0.00 H new ATOM 0 HD1 TYR B 622 -2.670 6.262 10.332 1.00 0.00 H new ATOM 0 HD2 TYR B 622 -1.720 10.214 11.607 1.00 0.00 H new ATOM 0 HE1 TYR B 622 -4.493 6.169 11.974 1.00 0.00 H new ATOM 0 HE2 TYR B 622 -3.541 10.124 13.250 1.00 0.00 H new ATOM 0 HH TYR B 622 -5.184 8.933 14.127 1.00 0.00 H new ATOM 1570 N ALA B 623 1.234 7.304 7.848 1.00 0.00 N ATOM 1571 CA ALA B 623 1.632 6.883 6.511 1.00 0.00 C ATOM 1572 C ALA B 623 2.459 5.603 6.562 1.00 0.00 C ATOM 1573 O ALA B 623 2.130 4.614 5.908 1.00 0.00 O ATOM 1574 CB ALA B 623 2.413 7.991 5.819 1.00 0.00 C ATOM 0 H ALA B 623 1.661 8.176 8.160 1.00 0.00 H new ATOM 0 HA ALA B 623 0.728 6.678 5.938 1.00 0.00 H new ATOM 0 HB1 ALA B 623 2.704 7.663 4.821 1.00 0.00 H new ATOM 0 HB2 ALA B 623 1.789 8.881 5.740 1.00 0.00 H new ATOM 0 HB3 ALA B 623 3.306 8.224 6.399 1.00 0.00 H new ATOM 1580 N GLY B 624 3.535 5.630 7.343 1.00 0.00 N ATOM 1581 CA GLY B 624 4.393 4.464 7.464 1.00 0.00 C ATOM 1582 C GLY B 624 3.633 3.227 7.899 1.00 0.00 C ATOM 1583 O GLY B 624 4.058 2.102 7.633 1.00 0.00 O ATOM 0 H GLY B 624 3.828 6.437 7.894 1.00 0.00 H new ATOM 0 HA2 GLY B 624 4.876 4.271 6.506 1.00 0.00 H new ATOM 0 HA3 GLY B 624 5.184 4.672 8.184 1.00 0.00 H new ATOM 1587 N THR B 625 2.505 3.434 8.571 1.00 0.00 N ATOM 1588 CA THR B 625 1.685 2.327 9.047 1.00 0.00 C ATOM 1589 C THR B 625 1.207 1.460 7.888 1.00 0.00 C ATOM 1590 O THR B 625 1.081 0.241 8.022 1.00 0.00 O ATOM 1591 CB THR B 625 0.461 2.831 9.834 1.00 0.00 C ATOM 1592 OG1 THR B 625 0.890 3.581 10.977 1.00 0.00 O ATOM 1593 CG2 THR B 625 -0.410 1.668 10.283 1.00 0.00 C ATOM 0 H THR B 625 2.138 4.358 8.798 1.00 0.00 H new ATOM 0 HA THR B 625 2.313 1.731 9.709 1.00 0.00 H new ATOM 0 HB THR B 625 -0.127 3.472 9.178 1.00 0.00 H new ATOM 0 HG1 THR B 625 1.087 4.503 10.708 1.00 0.00 H new ATOM 0 HG21 THR B 625 -1.268 2.049 10.837 1.00 0.00 H new ATOM 0 HG22 THR B 625 -0.758 1.115 9.410 1.00 0.00 H new ATOM 0 HG23 THR B 625 0.171 1.005 10.924 1.00 0.00 H new ATOM 1601 N LEU B 626 0.942 2.093 6.751 1.00 0.00 N ATOM 1602 CA LEU B 626 0.478 1.378 5.567 1.00 0.00 C ATOM 1603 C LEU B 626 1.553 0.429 5.047 1.00 0.00 C ATOM 1604 O LEU B 626 1.272 -0.724 4.721 1.00 0.00 O ATOM 1605 CB LEU B 626 0.084 2.370 4.471 1.00 0.00 C ATOM 1606 CG LEU B 626 -1.236 3.114 4.682 1.00 0.00 C ATOM 1607 CD1 LEU B 626 -2.369 2.131 4.933 1.00 0.00 C ATOM 1608 CD2 LEU B 626 -1.114 4.097 5.837 1.00 0.00 C ATOM 0 H LEU B 626 1.040 3.100 6.624 1.00 0.00 H new ATOM 0 HA LEU B 626 -0.395 0.789 5.847 1.00 0.00 H new ATOM 0 HB2 LEU B 626 0.881 3.107 4.372 1.00 0.00 H new ATOM 0 HB3 LEU B 626 0.027 1.832 3.525 1.00 0.00 H new ATOM 0 HG LEU B 626 -1.464 3.675 3.776 1.00 0.00 H new ATOM 0 HD11 LEU B 626 -3.300 2.679 5.081 1.00 0.00 H new ATOM 0 HD12 LEU B 626 -2.471 1.467 4.075 1.00 0.00 H new ATOM 0 HD13 LEU B 626 -2.149 1.542 5.824 1.00 0.00 H new ATOM 0 HD21 LEU B 626 -2.062 4.618 5.973 1.00 0.00 H new ATOM 0 HD22 LEU B 626 -0.862 3.557 6.750 1.00 0.00 H new ATOM 0 HD23 LEU B 626 -0.330 4.822 5.617 1.00 0.00 H new ATOM 1619 N GLN B 627 2.785 0.922 4.975 1.00 0.00 N ATOM 1620 CA GLN B 627 3.902 0.117 4.497 1.00 0.00 C ATOM 1621 C GLN B 627 4.004 -1.191 5.276 1.00 0.00 C ATOM 1622 O GLN B 627 4.048 -2.272 4.689 1.00 0.00 O ATOM 1623 CB GLN B 627 5.212 0.899 4.618 1.00 0.00 C ATOM 1624 CG GLN B 627 5.967 1.027 3.306 1.00 0.00 C ATOM 1625 CD GLN B 627 7.461 1.192 3.506 1.00 0.00 C ATOM 1626 OE1 GLN B 627 8.061 0.537 4.358 1.00 0.00 O ATOM 1627 NE2 GLN B 627 8.071 2.072 2.720 1.00 0.00 N ATOM 0 H GLN B 627 3.035 1.874 5.241 1.00 0.00 H new ATOM 0 HA GLN B 627 3.723 -0.119 3.448 1.00 0.00 H new ATOM 0 HB2 GLN B 627 4.996 1.896 5.002 1.00 0.00 H new ATOM 0 HB3 GLN B 627 5.853 0.407 5.350 1.00 0.00 H new ATOM 0 HG2 GLN B 627 5.781 0.143 2.697 1.00 0.00 H new ATOM 0 HG3 GLN B 627 5.582 1.883 2.752 1.00 0.00 H new ATOM 0 HE21 GLN B 627 7.535 2.594 2.027 1.00 0.00 H new ATOM 0 HE22 GLN B 627 9.075 2.226 2.810 1.00 0.00 H new ATOM 1634 N SER B 628 4.042 -1.084 6.600 1.00 0.00 N ATOM 1635 CA SER B 628 4.143 -2.257 7.459 1.00 0.00 C ATOM 1636 C SER B 628 2.918 -3.153 7.302 1.00 0.00 C ATOM 1637 O SER B 628 3.014 -4.378 7.387 1.00 0.00 O ATOM 1638 CB SER B 628 4.295 -1.833 8.921 1.00 0.00 C ATOM 1639 OG SER B 628 4.841 -2.883 9.702 1.00 0.00 O ATOM 0 H SER B 628 4.004 -0.196 7.101 1.00 0.00 H new ATOM 0 HA SER B 628 5.025 -2.822 7.158 1.00 0.00 H new ATOM 0 HB2 SER B 628 4.939 -0.956 8.984 1.00 0.00 H new ATOM 0 HB3 SER B 628 3.324 -1.544 9.322 1.00 0.00 H new ATOM 0 HG SER B 628 4.930 -2.587 10.632 1.00 0.00 H new ATOM 1644 N LEU B 629 1.766 -2.533 7.072 1.00 0.00 N ATOM 1645 CA LEU B 629 0.519 -3.272 6.902 1.00 0.00 C ATOM 1646 C LEU B 629 0.579 -4.164 5.666 1.00 0.00 C ATOM 1647 O LEU B 629 0.225 -5.340 5.720 1.00 0.00 O ATOM 1648 CB LEU B 629 -0.659 -2.303 6.790 1.00 0.00 C ATOM 1649 CG LEU B 629 -1.972 -2.768 7.421 1.00 0.00 C ATOM 1650 CD1 LEU B 629 -2.348 -4.151 6.914 1.00 0.00 C ATOM 1651 CD2 LEU B 629 -1.864 -2.765 8.939 1.00 0.00 C ATOM 0 H LEU B 629 1.669 -1.520 6.999 1.00 0.00 H new ATOM 0 HA LEU B 629 0.378 -3.906 7.778 1.00 0.00 H new ATOM 0 HB2 LEU B 629 -0.372 -1.358 7.251 1.00 0.00 H new ATOM 0 HB3 LEU B 629 -0.838 -2.101 5.734 1.00 0.00 H new ATOM 0 HG LEU B 629 -2.759 -2.072 7.131 1.00 0.00 H new ATOM 0 HD11 LEU B 629 -3.285 -4.465 7.374 1.00 0.00 H new ATOM 0 HD12 LEU B 629 -2.468 -4.121 5.831 1.00 0.00 H new ATOM 0 HD13 LEU B 629 -1.561 -4.860 7.173 1.00 0.00 H new ATOM 0 HD21 LEU B 629 -2.807 -3.099 9.372 1.00 0.00 H new ATOM 0 HD22 LEU B 629 -1.065 -3.439 9.248 1.00 0.00 H new ATOM 0 HD23 LEU B 629 -1.643 -1.756 9.286 1.00 0.00 H new ATOM 1662 N GLY B 630 1.032 -3.595 4.554 1.00 0.00 N ATOM 1663 CA GLY B 630 1.132 -4.354 3.321 1.00 0.00 C ATOM 1664 C GLY B 630 2.135 -5.487 3.417 1.00 0.00 C ATOM 1665 O GLY B 630 1.935 -6.553 2.835 1.00 0.00 O ATOM 0 H GLY B 630 1.332 -2.622 4.484 1.00 0.00 H new ATOM 0 HA2 GLY B 630 0.153 -4.760 3.068 1.00 0.00 H new ATOM 0 HA3 GLY B 630 1.420 -3.686 2.509 1.00 0.00 H new ATOM 1669 N ALA B 631 3.218 -5.256 4.152 1.00 0.00 N ATOM 1670 CA ALA B 631 4.255 -6.266 4.323 1.00 0.00 C ATOM 1671 C ALA B 631 3.664 -7.581 4.818 1.00 0.00 C ATOM 1672 O ALA B 631 4.165 -8.657 4.494 1.00 0.00 O ATOM 1673 CB ALA B 631 5.323 -5.768 5.286 1.00 0.00 C ATOM 0 H ALA B 631 3.400 -4.378 4.639 1.00 0.00 H new ATOM 0 HA ALA B 631 4.714 -6.448 3.351 1.00 0.00 H new ATOM 0 HB1 ALA B 631 6.091 -6.532 5.404 1.00 0.00 H new ATOM 0 HB2 ALA B 631 5.774 -4.858 4.890 1.00 0.00 H new ATOM 0 HB3 ALA B 631 4.870 -5.556 6.254 1.00 0.00 H new ATOM 1679 N GLU B 632 2.598 -7.486 5.607 1.00 0.00 N ATOM 1680 CA GLU B 632 1.941 -8.670 6.148 1.00 0.00 C ATOM 1681 C GLU B 632 1.292 -9.489 5.035 1.00 0.00 C ATOM 1682 O GLU B 632 1.347 -10.719 5.044 1.00 0.00 O ATOM 1683 CB GLU B 632 0.887 -8.268 7.181 1.00 0.00 C ATOM 1684 CG GLU B 632 1.474 -7.851 8.519 1.00 0.00 C ATOM 1685 CD GLU B 632 1.955 -9.032 9.339 1.00 0.00 C ATOM 1686 OE1 GLU B 632 1.898 -10.170 8.828 1.00 0.00 O ATOM 1687 OE2 GLU B 632 2.386 -8.819 10.491 1.00 0.00 O ATOM 0 H GLU B 632 2.172 -6.602 5.885 1.00 0.00 H new ATOM 0 HA GLU B 632 2.699 -9.285 6.633 1.00 0.00 H new ATOM 0 HB2 GLU B 632 0.294 -7.445 6.782 1.00 0.00 H new ATOM 0 HB3 GLU B 632 0.206 -9.105 7.337 1.00 0.00 H new ATOM 0 HG2 GLU B 632 2.307 -7.168 8.349 1.00 0.00 H new ATOM 0 HG3 GLU B 632 0.722 -7.302 9.086 1.00 0.00 H new ATOM 1692 N ILE B 633 0.679 -8.797 4.081 1.00 0.00 N ATOM 1693 CA ILE B 633 0.020 -9.460 2.962 1.00 0.00 C ATOM 1694 C ILE B 633 1.042 -10.025 1.980 1.00 0.00 C ATOM 1695 O ILE B 633 0.807 -11.056 1.351 1.00 0.00 O ATOM 1696 CB ILE B 633 -0.919 -8.497 2.211 1.00 0.00 C ATOM 1697 CG1 ILE B 633 -1.974 -7.934 3.165 1.00 0.00 C ATOM 1698 CG2 ILE B 633 -1.580 -9.208 1.040 1.00 0.00 C ATOM 1699 CD1 ILE B 633 -2.716 -6.738 2.608 1.00 0.00 C ATOM 0 H ILE B 633 0.625 -7.779 4.060 1.00 0.00 H new ATOM 0 HA ILE B 633 -0.569 -10.276 3.380 1.00 0.00 H new ATOM 0 HB ILE B 633 -0.330 -7.667 1.820 1.00 0.00 H new ATOM 0 HG12 ILE B 633 -2.692 -8.718 3.403 1.00 0.00 H new ATOM 0 HG13 ILE B 633 -1.492 -7.649 4.100 1.00 0.00 H new ATOM 0 HG21 ILE B 633 -2.240 -8.515 0.519 1.00 0.00 H new ATOM 0 HG22 ILE B 633 -0.814 -9.565 0.352 1.00 0.00 H new ATOM 0 HG23 ILE B 633 -2.160 -10.054 1.409 1.00 0.00 H new ATOM 0 HD11 ILE B 633 -3.448 -6.392 3.338 1.00 0.00 H new ATOM 0 HD12 ILE B 633 -2.008 -5.937 2.396 1.00 0.00 H new ATOM 0 HD13 ILE B 633 -3.227 -7.023 1.689 1.00 0.00 H new ATOM 1710 N ALA B 634 2.174 -9.342 1.855 1.00 0.00 N ATOM 1711 CA ALA B 634 3.233 -9.778 0.952 1.00 0.00 C ATOM 1712 C ALA B 634 3.886 -11.063 1.451 1.00 0.00 C ATOM 1713 O ALA B 634 4.208 -11.953 0.664 1.00 0.00 O ATOM 1714 CB ALA B 634 4.276 -8.680 0.794 1.00 0.00 C ATOM 0 H ALA B 634 2.382 -8.485 2.367 1.00 0.00 H new ATOM 0 HA ALA B 634 2.786 -9.983 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA B 634 5.061 -9.018 0.118 1.00 0.00 H new ATOM 0 HB2 ALA B 634 3.805 -7.786 0.385 1.00 0.00 H new ATOM 0 HB3 ALA B 634 4.710 -8.448 1.766 1.00 0.00 H new ATOM 1720 N VAL B 635 4.079 -11.152 2.763 1.00 0.00 N ATOM 1721 CA VAL B 635 4.693 -12.329 3.366 1.00 0.00 C ATOM 1722 C VAL B 635 3.699 -13.480 3.459 1.00 0.00 C ATOM 1723 O VAL B 635 4.078 -14.649 3.383 1.00 0.00 O ATOM 1724 CB VAL B 635 5.235 -12.019 4.774 1.00 0.00 C ATOM 1725 CG1 VAL B 635 4.101 -11.621 5.708 1.00 0.00 C ATOM 1726 CG2 VAL B 635 5.997 -13.214 5.327 1.00 0.00 C ATOM 0 H VAL B 635 3.819 -10.424 3.428 1.00 0.00 H new ATOM 0 HA VAL B 635 5.522 -12.620 2.721 1.00 0.00 H new ATOM 0 HB VAL B 635 5.926 -11.179 4.701 1.00 0.00 H new ATOM 0 HG11 VAL B 635 4.503 -11.406 6.698 1.00 0.00 H new ATOM 0 HG12 VAL B 635 3.603 -10.733 5.318 1.00 0.00 H new ATOM 0 HG13 VAL B 635 3.383 -12.438 5.778 1.00 0.00 H new ATOM 0 HG21 VAL B 635 6.373 -12.977 6.322 1.00 0.00 H new ATOM 0 HG22 VAL B 635 5.331 -14.075 5.386 1.00 0.00 H new ATOM 0 HG23 VAL B 635 6.834 -13.448 4.669 1.00 0.00 H new ATOM 1736 N GLU B 636 2.423 -13.143 3.623 1.00 0.00 N ATOM 1737 CA GLU B 636 1.374 -14.151 3.725 1.00 0.00 C ATOM 1738 C GLU B 636 1.197 -14.889 2.402 1.00 0.00 C ATOM 1739 O GLU B 636 1.230 -16.118 2.356 1.00 0.00 O ATOM 1740 CB GLU B 636 0.052 -13.502 4.142 1.00 0.00 C ATOM 1741 CG GLU B 636 -0.274 -13.678 5.616 1.00 0.00 C ATOM 1742 CD GLU B 636 -0.599 -15.115 5.974 1.00 0.00 C ATOM 1743 OE1 GLU B 636 -1.762 -15.526 5.780 1.00 0.00 O ATOM 1744 OE2 GLU B 636 0.310 -15.829 6.448 1.00 0.00 O ATOM 0 H GLU B 636 2.091 -12.181 3.688 1.00 0.00 H new ATOM 0 HA GLU B 636 1.672 -14.873 4.485 1.00 0.00 H new ATOM 0 HB2 GLU B 636 0.091 -12.437 3.912 1.00 0.00 H new ATOM 0 HB3 GLU B 636 -0.756 -13.927 3.547 1.00 0.00 H new ATOM 0 HG2 GLU B 636 0.573 -13.341 6.214 1.00 0.00 H new ATOM 0 HG3 GLU B 636 -1.121 -13.042 5.875 1.00 0.00 H new ATOM 1749 N GLN B 637 1.006 -14.128 1.328 1.00 0.00 N ATOM 1750 CA GLN B 637 0.822 -14.710 0.003 1.00 0.00 C ATOM 1751 C GLN B 637 2.039 -15.534 -0.403 1.00 0.00 C ATOM 1752 O GLN B 637 1.922 -16.501 -1.155 1.00 0.00 O ATOM 1753 CB GLN B 637 0.568 -13.610 -1.028 1.00 0.00 C ATOM 1754 CG GLN B 637 1.815 -12.822 -1.396 1.00 0.00 C ATOM 1755 CD GLN B 637 2.475 -13.332 -2.663 1.00 0.00 C ATOM 1756 OE1 GLN B 637 1.800 -13.659 -3.640 1.00 0.00 O ATOM 1757 NE2 GLN B 637 3.800 -13.401 -2.654 1.00 0.00 N ATOM 0 H GLN B 637 0.975 -13.109 1.350 1.00 0.00 H new ATOM 0 HA GLN B 637 -0.044 -15.370 0.040 1.00 0.00 H new ATOM 0 HB2 GLN B 637 0.152 -14.058 -1.930 1.00 0.00 H new ATOM 0 HB3 GLN B 637 -0.183 -12.924 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN B 637 1.552 -11.772 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN B 637 2.528 -12.873 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN B 637 4.320 -13.120 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN B 637 4.299 -13.735 -3.478 1.00 0.00 H new ATOM 1764 N ALA B 638 3.206 -15.144 0.098 1.00 0.00 N ATOM 1765 CA ALA B 638 4.445 -15.848 -0.212 1.00 0.00 C ATOM 1766 C ALA B 638 4.397 -17.289 0.287 1.00 0.00 C ATOM 1767 O ALA B 638 5.094 -18.159 -0.232 1.00 0.00 O ATOM 1768 CB ALA B 638 5.633 -15.118 0.394 1.00 0.00 C ATOM 0 H ALA B 638 3.320 -14.344 0.721 1.00 0.00 H new ATOM 0 HA ALA B 638 4.560 -15.869 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA B 638 6.551 -15.655 0.154 1.00 0.00 H new ATOM 0 HB2 ALA B 638 5.686 -14.109 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA B 638 5.515 -15.066 1.476 1.00 0.00 H new ATOM 1774 N ALA B 639 3.569 -17.532 1.300 1.00 0.00 N ATOM 1775 CA ALA B 639 3.430 -18.868 1.868 1.00 0.00 C ATOM 1776 C ALA B 639 2.485 -19.723 1.032 1.00 0.00 C ATOM 1777 O ALA B 639 2.552 -20.953 1.063 1.00 0.00 O ATOM 1778 CB ALA B 639 2.937 -18.780 3.305 1.00 0.00 C ATOM 0 H ALA B 639 2.986 -16.822 1.743 1.00 0.00 H new ATOM 0 HA ALA B 639 4.410 -19.345 1.861 1.00 0.00 H new ATOM 0 HB1 ALA B 639 2.837 -19.784 3.718 1.00 0.00 H new ATOM 0 HB2 ALA B 639 3.652 -18.212 3.901 1.00 0.00 H new ATOM 0 HB3 ALA B 639 1.968 -18.281 3.327 1.00 0.00 H new ATOM 1784 N LEU B 640 1.603 -19.067 0.287 1.00 0.00 N ATOM 1785 CA LEU B 640 0.642 -19.769 -0.557 1.00 0.00 C ATOM 1786 C LEU B 640 0.989 -19.601 -2.033 1.00 0.00 C ATOM 1787 O LEU B 640 0.108 -19.617 -2.892 1.00 0.00 O ATOM 1788 CB LEU B 640 -0.773 -19.251 -0.292 1.00 0.00 C ATOM 1789 CG LEU B 640 -1.104 -18.919 1.163 1.00 0.00 C ATOM 1790 CD1 LEU B 640 -2.425 -18.170 1.252 1.00 0.00 C ATOM 1791 CD2 LEU B 640 -1.152 -20.187 2.002 1.00 0.00 C ATOM 0 H LEU B 640 1.533 -18.050 0.250 1.00 0.00 H new ATOM 0 HA LEU B 640 0.686 -20.830 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU B 640 -0.929 -18.355 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU B 640 -1.484 -19.998 -0.644 1.00 0.00 H new ATOM 0 HG LEU B 640 -0.317 -18.276 1.557 1.00 0.00 H new ATOM 0 HD11 LEU B 640 -2.644 -17.942 2.295 1.00 0.00 H new ATOM 0 HD12 LEU B 640 -2.356 -17.242 0.684 1.00 0.00 H new ATOM 0 HD13 LEU B 640 -3.222 -18.789 0.840 1.00 0.00 H new ATOM 0 HD21 LEU B 640 -1.389 -19.931 3.035 1.00 0.00 H new ATOM 0 HD22 LEU B 640 -1.918 -20.855 1.609 1.00 0.00 H new ATOM 0 HD23 LEU B 640 -0.183 -20.685 1.965 1.00 0.00 H new ATOM 1802 N GLN B 641 2.277 -19.441 -2.318 1.00 0.00 N ATOM 1803 CA GLN B 641 2.740 -19.272 -3.691 1.00 0.00 C ATOM 1804 C GLN B 641 2.381 -20.487 -4.540 1.00 0.00 C ATOM 1805 O GLN B 641 1.889 -20.351 -5.661 1.00 0.00 O ATOM 1806 CB GLN B 641 4.253 -19.047 -3.717 1.00 0.00 C ATOM 1807 CG GLN B 641 4.684 -17.740 -3.069 1.00 0.00 C ATOM 1808 CD GLN B 641 4.715 -16.585 -4.051 1.00 0.00 C ATOM 1809 OE1 GLN B 641 5.770 -16.227 -4.573 1.00 0.00 O ATOM 1810 NE2 GLN B 641 3.553 -15.995 -4.307 1.00 0.00 N ATOM 0 H GLN B 641 3.018 -19.425 -1.618 1.00 0.00 H new ATOM 0 HA GLN B 641 2.242 -18.398 -4.111 1.00 0.00 H new ATOM 0 HB2 GLN B 641 4.744 -19.875 -3.207 1.00 0.00 H new ATOM 0 HB3 GLN B 641 4.597 -19.061 -4.751 1.00 0.00 H new ATOM 0 HG2 GLN B 641 4.001 -17.501 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN B 641 5.674 -17.865 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN B 641 2.702 -16.325 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN B 641 3.511 -15.212 -4.959 1.00 0.00 H new ATOM 1817 N SER B 642 2.630 -21.675 -3.999 1.00 0.00 N ATOM 1818 CA SER B 642 2.336 -22.915 -4.709 1.00 0.00 C ATOM 1819 C SER B 642 0.872 -22.963 -5.136 1.00 0.00 C ATOM 1820 O SER B 642 0.520 -23.626 -6.112 1.00 0.00 O ATOM 1821 CB SER B 642 2.662 -24.123 -3.828 1.00 0.00 C ATOM 1822 OG SER B 642 1.638 -24.348 -2.874 1.00 0.00 O ATOM 0 H SER B 642 3.034 -21.806 -3.072 1.00 0.00 H new ATOM 0 HA SER B 642 2.959 -22.948 -5.603 1.00 0.00 H new ATOM 0 HB2 SER B 642 2.785 -25.009 -4.451 1.00 0.00 H new ATOM 0 HB3 SER B 642 3.611 -23.959 -3.317 1.00 0.00 H new ATOM 0 HG SER B 642 1.868 -25.126 -2.324 1.00 0.00 H new ATOM 1827 N ALA B 643 0.024 -22.256 -4.397 1.00 0.00 N ATOM 1828 CA ALA B 643 -1.401 -22.215 -4.700 1.00 0.00 C ATOM 1829 C ALA B 643 -1.693 -21.257 -5.850 1.00 0.00 C ATOM 1830 O ALA B 643 -2.672 -21.424 -6.577 1.00 0.00 O ATOM 1831 CB ALA B 643 -2.192 -21.813 -3.463 1.00 0.00 C ATOM 0 H ALA B 643 0.299 -21.704 -3.585 1.00 0.00 H new ATOM 0 HA ALA B 643 -1.709 -23.214 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA B 643 -3.255 -21.786 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA B 643 -2.018 -22.538 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA B 643 -1.870 -20.826 -3.130 1.00 0.00 H new ATOM 1837 N TRP B 644 -0.836 -20.254 -6.008 1.00 0.00 N ATOM 1838 CA TRP B 644 -1.003 -19.269 -7.070 1.00 0.00 C ATOM 1839 C TRP B 644 -1.104 -19.948 -8.432 1.00 0.00 C ATOM 1840 O TRP B 644 -0.477 -20.981 -8.668 1.00 0.00 O ATOM 1841 CB TRP B 644 0.165 -18.281 -7.065 1.00 0.00 C ATOM 1842 CG TRP B 644 -0.118 -17.022 -7.828 1.00 0.00 C ATOM 1843 CD1 TRP B 644 -0.012 -16.840 -9.177 1.00 0.00 C ATOM 1844 CD2 TRP B 644 -0.552 -15.770 -7.285 1.00 0.00 C ATOM 1845 NE1 TRP B 644 -0.354 -15.550 -9.506 1.00 0.00 N ATOM 1846 CE2 TRP B 644 -0.690 -14.874 -8.363 1.00 0.00 C ATOM 1847 CE3 TRP B 644 -0.840 -15.320 -5.994 1.00 0.00 C ATOM 1848 CZ2 TRP B 644 -1.101 -13.556 -8.186 1.00 0.00 C ATOM 1849 CZ3 TRP B 644 -1.247 -14.012 -5.819 1.00 0.00 C ATOM 1850 CH2 TRP B 644 -1.376 -13.141 -6.911 1.00 0.00 C ATOM 0 H TRP B 644 -0.020 -20.102 -5.415 1.00 0.00 H new ATOM 0 HA TRP B 644 -1.930 -18.727 -6.886 1.00 0.00 H new ATOM 0 HB2 TRP B 644 0.411 -18.025 -6.034 1.00 0.00 H new ATOM 0 HB3 TRP B 644 1.043 -18.766 -7.491 1.00 0.00 H new ATOM 0 HD1 TRP B 644 0.295 -17.598 -9.882 1.00 0.00 H new ATOM 0 HE1 TRP B 644 -0.357 -15.159 -10.448 1.00 0.00 H new ATOM 0 HE3 TRP B 644 -0.746 -15.984 -5.147 1.00 0.00 H new ATOM 0 HZ2 TRP B 644 -1.200 -12.884 -9.026 1.00 0.00 H new ATOM 0 HZ3 TRP B 644 -1.470 -13.654 -4.825 1.00 0.00 H new ATOM 0 HH2 TRP B 644 -1.698 -12.124 -6.743 1.00 0.00 H new ATOM 1860 N GLN B 645 -1.896 -19.361 -9.324 1.00 0.00 N ATOM 1861 CA GLN B 645 -2.078 -19.911 -10.661 1.00 0.00 C ATOM 1862 C GLN B 645 -1.101 -19.280 -11.648 1.00 0.00 C ATOM 1863 O GLN B 645 -0.173 -19.935 -12.121 1.00 0.00 O ATOM 1864 CB GLN B 645 -3.515 -19.687 -11.136 1.00 0.00 C ATOM 1865 CG GLN B 645 -4.565 -20.207 -10.166 1.00 0.00 C ATOM 1866 CD GLN B 645 -4.713 -21.715 -10.219 1.00 0.00 C ATOM 1867 OE1 GLN B 645 -5.296 -22.260 -11.157 1.00 0.00 O ATOM 1868 NE2 GLN B 645 -4.184 -22.398 -9.211 1.00 0.00 N ATOM 0 H GLN B 645 -2.421 -18.505 -9.144 1.00 0.00 H new ATOM 0 HA GLN B 645 -1.879 -20.982 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN B 645 -3.675 -18.620 -11.294 1.00 0.00 H new ATOM 0 HB3 GLN B 645 -3.650 -20.176 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN B 645 -4.298 -19.907 -9.153 1.00 0.00 H new ATOM 0 HG3 GLN B 645 -5.525 -19.743 -10.393 1.00 0.00 H new ATOM 0 HE21 GLN B 645 -3.710 -21.905 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN B 645 -4.252 -23.416 -9.193 1.00 0.00 H new ATOM 1875 N GLY B 646 -1.316 -18.005 -11.953 1.00 0.00 N ATOM 1876 CA GLY B 646 -0.447 -17.307 -12.882 1.00 0.00 C ATOM 1877 C GLY B 646 -1.064 -17.164 -14.259 1.00 0.00 C ATOM 1878 O GLY B 646 -0.652 -16.312 -15.046 1.00 0.00 O ATOM 0 H GLY B 646 -2.077 -17.442 -11.573 1.00 0.00 H new ATOM 0 HA2 GLY B 646 -0.217 -16.318 -12.486 1.00 0.00 H new ATOM 0 HA3 GLY B 646 0.498 -17.845 -12.965 1.00 0.00 H new ATOM 1882 N ASP B 647 -2.053 -18.002 -14.552 1.00 0.00 N ATOM 1883 CA ASP B 647 -2.727 -17.966 -15.845 1.00 0.00 C ATOM 1884 C ASP B 647 -4.039 -17.192 -15.752 1.00 0.00 C ATOM 1885 O ASP B 647 -4.966 -17.426 -16.526 1.00 0.00 O ATOM 1886 CB ASP B 647 -2.994 -19.387 -16.344 1.00 0.00 C ATOM 1887 CG ASP B 647 -2.891 -19.499 -17.853 1.00 0.00 C ATOM 1888 OD1 ASP B 647 -3.903 -19.237 -18.537 1.00 0.00 O ATOM 1889 OD2 ASP B 647 -1.800 -19.849 -18.350 1.00 0.00 O ATOM 0 H ASP B 647 -2.405 -18.714 -13.912 1.00 0.00 H new ATOM 0 HA ASP B 647 -2.074 -17.457 -16.554 1.00 0.00 H new ATOM 0 HB2 ASP B 647 -2.282 -20.071 -15.882 1.00 0.00 H new ATOM 0 HB3 ASP B 647 -3.989 -19.700 -16.026 1.00 0.00 H new ATOM 1893 N THR B 648 -4.109 -16.270 -14.797 1.00 0.00 N ATOM 1894 CA THR B 648 -5.307 -15.463 -14.601 1.00 0.00 C ATOM 1895 C THR B 648 -5.010 -13.982 -14.797 1.00 0.00 C ATOM 1896 O THR B 648 -5.880 -13.213 -15.204 1.00 0.00 O ATOM 1897 CB THR B 648 -5.902 -15.674 -13.195 1.00 0.00 C ATOM 1898 OG1 THR B 648 -4.851 -15.798 -12.231 1.00 0.00 O ATOM 1899 CG2 THR B 648 -6.779 -16.917 -13.160 1.00 0.00 C ATOM 0 H THR B 648 -3.350 -16.064 -14.147 1.00 0.00 H new ATOM 0 HA THR B 648 -6.032 -15.787 -15.347 1.00 0.00 H new ATOM 0 HB THR B 648 -6.517 -14.808 -12.951 1.00 0.00 H new ATOM 0 HG1 THR B 648 -5.196 -16.237 -11.425 1.00 0.00 H new ATOM 0 HG21 THR B 648 -7.188 -17.046 -12.158 1.00 0.00 H new ATOM 0 HG22 THR B 648 -7.595 -16.806 -13.874 1.00 0.00 H new ATOM 0 HG23 THR B 648 -6.183 -17.791 -13.423 1.00 0.00 H new ATOM 1907 N GLY B 649 -3.774 -13.586 -14.504 1.00 0.00 N ATOM 1908 CA GLY B 649 -3.385 -12.196 -14.656 1.00 0.00 C ATOM 1909 C GLY B 649 -2.014 -11.912 -14.076 1.00 0.00 C ATOM 1910 O GLY B 649 -1.001 -12.054 -14.763 1.00 0.00 O ATOM 0 H GLY B 649 -3.036 -14.203 -14.164 1.00 0.00 H new ATOM 0 HA2 GLY B 649 -3.390 -11.934 -15.714 1.00 0.00 H new ATOM 0 HA3 GLY B 649 -4.122 -11.560 -14.166 1.00 0.00 H new ATOM 1914 N ILE B 650 -1.980 -11.508 -12.811 1.00 0.00 N ATOM 1915 CA ILE B 650 -0.722 -11.203 -12.140 1.00 0.00 C ATOM 1916 C ILE B 650 -0.043 -12.473 -11.640 1.00 0.00 C ATOM 1917 O ILE B 650 -0.705 -13.412 -11.197 1.00 0.00 O ATOM 1918 CB ILE B 650 -0.935 -10.247 -10.952 1.00 0.00 C ATOM 1919 CG1 ILE B 650 -1.562 -8.936 -11.430 1.00 0.00 C ATOM 1920 CG2 ILE B 650 0.384 -9.982 -10.242 1.00 0.00 C ATOM 1921 CD1 ILE B 650 -1.783 -7.931 -10.321 1.00 0.00 C ATOM 0 H ILE B 650 -2.809 -11.384 -12.230 1.00 0.00 H new ATOM 0 HA ILE B 650 -0.082 -10.718 -12.877 1.00 0.00 H new ATOM 0 HB ILE B 650 -1.618 -10.717 -10.244 1.00 0.00 H new ATOM 0 HG12 ILE B 650 -0.919 -8.491 -12.189 1.00 0.00 H new ATOM 0 HG13 ILE B 650 -2.517 -9.153 -11.908 1.00 0.00 H new ATOM 0 HG21 ILE B 650 0.217 -9.305 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE B 650 0.793 -10.922 -9.872 1.00 0.00 H new ATOM 0 HG23 ILE B 650 1.088 -9.529 -10.940 1.00 0.00 H new ATOM 0 HD11 ILE B 650 -2.230 -7.027 -10.733 1.00 0.00 H new ATOM 0 HD12 ILE B 650 -2.451 -8.357 -9.572 1.00 0.00 H new ATOM 0 HD13 ILE B 650 -0.828 -7.685 -9.858 1.00 0.00 H new ATOM 1932 N THR B 651 1.284 -12.498 -11.713 1.00 0.00 N ATOM 1933 CA THR B 651 2.055 -13.652 -11.268 1.00 0.00 C ATOM 1934 C THR B 651 2.604 -13.437 -9.863 1.00 0.00 C ATOM 1935 O THR B 651 2.489 -12.347 -9.301 1.00 0.00 O ATOM 1936 CB THR B 651 3.224 -13.950 -12.225 1.00 0.00 C ATOM 1937 OG1 THR B 651 2.996 -13.319 -13.489 1.00 0.00 O ATOM 1938 CG2 THR B 651 3.392 -15.448 -12.423 1.00 0.00 C ATOM 0 H THR B 651 1.848 -11.730 -12.077 1.00 0.00 H new ATOM 0 HA THR B 651 1.375 -14.504 -11.263 1.00 0.00 H new ATOM 0 HB THR B 651 4.137 -13.553 -11.782 1.00 0.00 H new ATOM 0 HG1 THR B 651 3.745 -13.512 -14.091 1.00 0.00 H new ATOM 0 HG21 THR B 651 4.224 -15.634 -13.103 1.00 0.00 H new ATOM 0 HG22 THR B 651 3.595 -15.921 -11.462 1.00 0.00 H new ATOM 0 HG23 THR B 651 2.478 -15.864 -12.846 1.00 0.00 H new ATOM 1946 N TYR B 652 3.201 -14.482 -9.300 1.00 0.00 N ATOM 1947 CA TYR B 652 3.767 -14.408 -7.958 1.00 0.00 C ATOM 1948 C TYR B 652 4.925 -13.416 -7.910 1.00 0.00 C ATOM 1949 O TYR B 652 5.080 -12.673 -6.941 1.00 0.00 O ATOM 1950 CB TYR B 652 4.243 -15.788 -7.506 1.00 0.00 C ATOM 1951 CG TYR B 652 5.344 -16.362 -8.370 1.00 0.00 C ATOM 1952 CD1 TYR B 652 5.047 -17.108 -9.505 1.00 0.00 C ATOM 1953 CD2 TYR B 652 6.681 -16.158 -8.052 1.00 0.00 C ATOM 1954 CE1 TYR B 652 6.049 -17.634 -10.296 1.00 0.00 C ATOM 1955 CE2 TYR B 652 7.690 -16.679 -8.839 1.00 0.00 C ATOM 1956 CZ TYR B 652 7.369 -17.417 -9.959 1.00 0.00 C ATOM 1957 OH TYR B 652 8.371 -17.939 -10.746 1.00 0.00 O ATOM 0 H TYR B 652 3.305 -15.390 -9.752 1.00 0.00 H new ATOM 0 HA TYR B 652 2.987 -14.061 -7.280 1.00 0.00 H new ATOM 0 HB2 TYR B 652 4.597 -15.722 -6.477 1.00 0.00 H new ATOM 0 HB3 TYR B 652 3.396 -16.474 -7.508 1.00 0.00 H new ATOM 0 HD1 TYR B 652 4.015 -17.279 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR B 652 6.936 -15.582 -7.175 1.00 0.00 H new ATOM 0 HE1 TYR B 652 5.801 -18.212 -11.174 1.00 0.00 H new ATOM 0 HE2 TYR B 652 8.724 -16.509 -8.579 1.00 0.00 H new ATOM 0 HH TYR B 652 9.243 -17.694 -10.371 1.00 0.00 H new ATOM 1966 N GLN B 653 5.736 -13.411 -8.964 1.00 0.00 N ATOM 1967 CA GLN B 653 6.881 -12.513 -9.042 1.00 0.00 C ATOM 1968 C GLN B 653 6.430 -11.081 -9.317 1.00 0.00 C ATOM 1969 O GLN B 653 6.940 -10.135 -8.718 1.00 0.00 O ATOM 1970 CB GLN B 653 7.845 -12.975 -10.136 1.00 0.00 C ATOM 1971 CG GLN B 653 7.200 -13.090 -11.507 1.00 0.00 C ATOM 1972 CD GLN B 653 7.442 -11.866 -12.370 1.00 0.00 C ATOM 1973 OE1 GLN B 653 7.933 -10.844 -11.893 1.00 0.00 O ATOM 1974 NE2 GLN B 653 7.096 -11.966 -13.648 1.00 0.00 N ATOM 0 H GLN B 653 5.621 -14.019 -9.775 1.00 0.00 H new ATOM 0 HA GLN B 653 7.396 -12.536 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN B 653 8.678 -12.275 -10.193 1.00 0.00 H new ATOM 0 HB3 GLN B 653 8.261 -13.943 -9.857 1.00 0.00 H new ATOM 0 HG2 GLN B 653 7.591 -13.971 -12.015 1.00 0.00 H new ATOM 0 HG3 GLN B 653 6.127 -13.240 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN B 653 6.692 -12.834 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN B 653 7.234 -11.175 -14.277 1.00 0.00 H new ATOM 1981 N ALA B 654 5.473 -10.931 -10.226 1.00 0.00 N ATOM 1982 CA ALA B 654 4.954 -9.616 -10.579 1.00 0.00 C ATOM 1983 C ALA B 654 4.187 -8.998 -9.414 1.00 0.00 C ATOM 1984 O ALA B 654 4.318 -7.805 -9.137 1.00 0.00 O ATOM 1985 CB ALA B 654 4.062 -9.713 -11.807 1.00 0.00 C ATOM 0 H ALA B 654 5.041 -11.704 -10.732 1.00 0.00 H new ATOM 0 HA ALA B 654 5.800 -8.968 -10.808 1.00 0.00 H new ATOM 0 HB1 ALA B 654 3.681 -8.723 -12.059 1.00 0.00 H new ATOM 0 HB2 ALA B 654 4.638 -10.105 -12.645 1.00 0.00 H new ATOM 0 HB3 ALA B 654 3.226 -10.381 -11.598 1.00 0.00 H new ATOM 1991 N TRP B 655 3.389 -9.816 -8.737 1.00 0.00 N ATOM 1992 CA TRP B 655 2.601 -9.348 -7.603 1.00 0.00 C ATOM 1993 C TRP B 655 3.505 -8.853 -6.479 1.00 0.00 C ATOM 1994 O TRP B 655 3.228 -7.829 -5.855 1.00 0.00 O ATOM 1995 CB TRP B 655 1.695 -10.469 -7.089 1.00 0.00 C ATOM 1996 CG TRP B 655 0.671 -9.998 -6.101 1.00 0.00 C ATOM 1997 CD1 TRP B 655 -0.657 -9.784 -6.337 1.00 0.00 C ATOM 1998 CD2 TRP B 655 0.893 -9.682 -4.722 1.00 0.00 C ATOM 1999 NE1 TRP B 655 -1.274 -9.353 -5.186 1.00 0.00 N ATOM 2000 CE2 TRP B 655 -0.346 -9.284 -4.182 1.00 0.00 C ATOM 2001 CE3 TRP B 655 2.016 -9.698 -3.891 1.00 0.00 C ATOM 2002 CZ2 TRP B 655 -0.489 -8.905 -2.850 1.00 0.00 C ATOM 2003 CZ3 TRP B 655 1.872 -9.322 -2.569 1.00 0.00 C ATOM 2004 CH2 TRP B 655 0.627 -8.930 -2.059 1.00 0.00 C ATOM 0 H TRP B 655 3.271 -10.806 -8.954 1.00 0.00 H new ATOM 0 HA TRP B 655 1.983 -8.516 -7.940 1.00 0.00 H new ATOM 0 HB2 TRP B 655 1.187 -10.933 -7.935 1.00 0.00 H new ATOM 0 HB3 TRP B 655 2.310 -11.240 -6.625 1.00 0.00 H new ATOM 0 HD1 TRP B 655 -1.150 -9.931 -7.287 1.00 0.00 H new ATOM 0 HE1 TRP B 655 -2.263 -9.122 -5.095 1.00 0.00 H new ATOM 0 HE3 TRP B 655 2.980 -9.999 -4.275 1.00 0.00 H new ATOM 0 HZ2 TRP B 655 -1.447 -8.602 -2.455 1.00 0.00 H new ATOM 0 HZ3 TRP B 655 2.734 -9.330 -1.918 1.00 0.00 H new ATOM 0 HH2 TRP B 655 0.547 -8.642 -1.021 1.00 0.00 H new ATOM 2014 N GLN B 656 4.585 -9.585 -6.229 1.00 0.00 N ATOM 2015 CA GLN B 656 5.529 -9.219 -5.179 1.00 0.00 C ATOM 2016 C GLN B 656 6.116 -7.834 -5.434 1.00 0.00 C ATOM 2017 O GLN B 656 6.029 -6.948 -4.585 1.00 0.00 O ATOM 2018 CB GLN B 656 6.653 -10.253 -5.090 1.00 0.00 C ATOM 2019 CG GLN B 656 6.296 -11.467 -4.246 1.00 0.00 C ATOM 2020 CD GLN B 656 6.778 -11.344 -2.815 1.00 0.00 C ATOM 2021 OE1 GLN B 656 6.011 -10.993 -1.917 1.00 0.00 O ATOM 2022 NE2 GLN B 656 8.055 -11.635 -2.592 1.00 0.00 N ATOM 0 H GLN B 656 4.829 -10.434 -6.738 1.00 0.00 H new ATOM 0 HA GLN B 656 4.989 -9.197 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN B 656 6.912 -10.583 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN B 656 7.540 -9.778 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN B 656 5.215 -11.603 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN B 656 6.731 -12.359 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN B 656 8.655 -11.922 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN B 656 8.435 -11.572 -1.648 1.00 0.00 H new ATOM 2029 N ALA B 657 6.714 -7.658 -6.608 1.00 0.00 N ATOM 2030 CA ALA B 657 7.314 -6.381 -6.975 1.00 0.00 C ATOM 2031 C ALA B 657 6.257 -5.286 -7.075 1.00 0.00 C ATOM 2032 O ALA B 657 6.428 -4.194 -6.534 1.00 0.00 O ATOM 2033 CB ALA B 657 8.068 -6.510 -8.290 1.00 0.00 C ATOM 0 H ALA B 657 6.796 -8.383 -7.321 1.00 0.00 H new ATOM 0 HA ALA B 657 8.018 -6.100 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA B 657 8.511 -5.549 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA B 657 8.856 -7.256 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA B 657 7.378 -6.818 -9.076 1.00 0.00 H new ATOM 2039 N GLN B 658 5.165 -5.587 -7.771 1.00 0.00 N ATOM 2040 CA GLN B 658 4.081 -4.626 -7.942 1.00 0.00 C ATOM 2041 C GLN B 658 3.564 -4.142 -6.591 1.00 0.00 C ATOM 2042 O GLN B 658 3.434 -2.940 -6.360 1.00 0.00 O ATOM 2043 CB GLN B 658 2.939 -5.252 -8.744 1.00 0.00 C ATOM 2044 CG GLN B 658 3.199 -5.297 -10.241 1.00 0.00 C ATOM 2045 CD GLN B 658 2.027 -5.857 -11.022 1.00 0.00 C ATOM 2046 OE1 GLN B 658 0.923 -5.315 -10.980 1.00 0.00 O ATOM 2047 NE2 GLN B 658 2.261 -6.949 -11.740 1.00 0.00 N ATOM 0 H GLN B 658 5.008 -6.487 -8.225 1.00 0.00 H new ATOM 0 HA GLN B 658 4.472 -3.768 -8.489 1.00 0.00 H new ATOM 0 HB2 GLN B 658 2.766 -6.266 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN B 658 2.025 -4.688 -8.559 1.00 0.00 H new ATOM 0 HG2 GLN B 658 3.420 -4.291 -10.597 1.00 0.00 H new ATOM 0 HG3 GLN B 658 4.083 -5.905 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN B 658 3.192 -7.366 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN B 658 1.510 -7.371 -12.286 1.00 0.00 H new ATOM 2054 N TRP B 659 3.269 -5.085 -5.705 1.00 0.00 N ATOM 2055 CA TRP B 659 2.764 -4.754 -4.376 1.00 0.00 C ATOM 2056 C TRP B 659 3.670 -3.739 -3.688 1.00 0.00 C ATOM 2057 O TRP B 659 3.232 -2.648 -3.325 1.00 0.00 O ATOM 2058 CB TRP B 659 2.650 -6.018 -3.522 1.00 0.00 C ATOM 2059 CG TRP B 659 2.074 -5.765 -2.162 1.00 0.00 C ATOM 2060 CD1 TRP B 659 2.765 -5.602 -0.996 1.00 0.00 C ATOM 2061 CD2 TRP B 659 0.687 -5.649 -1.828 1.00 0.00 C ATOM 2062 NE1 TRP B 659 1.892 -5.390 0.044 1.00 0.00 N ATOM 2063 CE2 TRP B 659 0.611 -5.415 -0.441 1.00 0.00 C ATOM 2064 CE3 TRP B 659 -0.499 -5.719 -2.564 1.00 0.00 C ATOM 2065 CZ2 TRP B 659 -0.604 -5.251 0.221 1.00 0.00 C ATOM 2066 CZ3 TRP B 659 -1.703 -5.556 -1.906 1.00 0.00 C ATOM 2067 CH2 TRP B 659 -1.748 -5.324 -0.525 1.00 0.00 C ATOM 0 H TRP B 659 3.370 -6.085 -5.881 1.00 0.00 H new ATOM 0 HA TRP B 659 1.774 -4.311 -4.489 1.00 0.00 H new ATOM 0 HB2 TRP B 659 2.027 -6.745 -4.043 1.00 0.00 H new ATOM 0 HB3 TRP B 659 3.638 -6.465 -3.413 1.00 0.00 H new ATOM 0 HD1 TRP B 659 3.841 -5.635 -0.904 1.00 0.00 H new ATOM 0 HE1 TRP B 659 2.155 -5.239 1.018 1.00 0.00 H new ATOM 0 HE3 TRP B 659 -0.475 -5.897 -3.629 1.00 0.00 H new ATOM 0 HZ2 TRP B 659 -0.641 -5.073 1.286 1.00 0.00 H new ATOM 0 HZ3 TRP B 659 -2.625 -5.608 -2.466 1.00 0.00 H new ATOM 0 HH2 TRP B 659 -2.705 -5.200 -0.040 1.00 0.00 H new ATOM 2077 N ASN B 660 4.936 -4.106 -3.511 1.00 0.00 N ATOM 2078 CA ASN B 660 5.903 -3.226 -2.865 1.00 0.00 C ATOM 2079 C ASN B 660 5.925 -1.856 -3.535 1.00 0.00 C ATOM 2080 O ASN B 660 5.885 -0.826 -2.864 1.00 0.00 O ATOM 2081 CB ASN B 660 7.300 -3.851 -2.909 1.00 0.00 C ATOM 2082 CG ASN B 660 8.311 -3.064 -2.098 1.00 0.00 C ATOM 2083 OD1 ASN B 660 8.021 -2.619 -0.987 1.00 0.00 O ATOM 2084 ND2 ASN B 660 9.504 -2.887 -2.651 1.00 0.00 N ATOM 0 H ASN B 660 5.315 -5.006 -3.806 1.00 0.00 H new ATOM 0 HA ASN B 660 5.602 -3.097 -1.825 1.00 0.00 H new ATOM 0 HB2 ASN B 660 7.250 -4.872 -2.531 1.00 0.00 H new ATOM 0 HB3 ASN B 660 7.636 -3.911 -3.944 1.00 0.00 H new ATOM 0 HD21 ASN B 660 10.225 -2.364 -2.153 1.00 0.00 H new ATOM 0 HD22 ASN B 660 9.701 -3.274 -3.574 1.00 0.00 H new ATOM 2090 N GLN B 661 5.989 -1.854 -4.863 1.00 0.00 N ATOM 2091 CA GLN B 661 6.016 -0.611 -5.624 1.00 0.00 C ATOM 2092 C GLN B 661 4.737 0.191 -5.404 1.00 0.00 C ATOM 2093 O GLN B 661 4.734 1.416 -5.512 1.00 0.00 O ATOM 2094 CB GLN B 661 6.198 -0.903 -7.114 1.00 0.00 C ATOM 2095 CG GLN B 661 7.531 -1.554 -7.448 1.00 0.00 C ATOM 2096 CD GLN B 661 8.612 -0.541 -7.768 1.00 0.00 C ATOM 2097 OE1 GLN B 661 8.494 0.229 -8.721 1.00 0.00 O ATOM 2098 NE2 GLN B 661 9.674 -0.536 -6.970 1.00 0.00 N ATOM 0 H GLN B 661 6.023 -2.699 -5.433 1.00 0.00 H new ATOM 0 HA GLN B 661 6.860 -0.018 -5.272 1.00 0.00 H new ATOM 0 HB2 GLN B 661 5.391 -1.554 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN B 661 6.108 0.029 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN B 661 7.852 -2.168 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN B 661 7.401 -2.222 -8.299 1.00 0.00 H new ATOM 0 HE21 GLN B 661 9.730 -1.192 -6.191 1.00 0.00 H new ATOM 0 HE22 GLN B 661 10.434 0.124 -7.136 1.00 0.00 H new ATOM 2105 N ALA B 662 3.651 -0.511 -5.095 1.00 0.00 N ATOM 2106 CA ALA B 662 2.366 0.135 -4.858 1.00 0.00 C ATOM 2107 C ALA B 662 2.313 0.761 -3.468 1.00 0.00 C ATOM 2108 O ALA B 662 2.031 1.950 -3.324 1.00 0.00 O ATOM 2109 CB ALA B 662 1.233 -0.866 -5.031 1.00 0.00 C ATOM 0 H ALA B 662 3.636 -1.527 -5.003 1.00 0.00 H new ATOM 0 HA ALA B 662 2.248 0.933 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA B 662 0.279 -0.370 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA B 662 1.250 -1.263 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA B 662 1.357 -1.683 -4.320 1.00 0.00 H new ATOM 2115 N MET B 663 2.588 -0.047 -2.450 1.00 0.00 N ATOM 2116 CA MET B 663 2.571 0.429 -1.071 1.00 0.00 C ATOM 2117 C MET B 663 3.531 1.601 -0.890 1.00 0.00 C ATOM 2118 O MET B 663 3.226 2.560 -0.182 1.00 0.00 O ATOM 2119 CB MET B 663 2.947 -0.704 -0.114 1.00 0.00 C ATOM 2120 CG MET B 663 2.097 -1.952 -0.288 1.00 0.00 C ATOM 2121 SD MET B 663 0.350 -1.656 0.046 1.00 0.00 S ATOM 2122 CE MET B 663 0.424 -1.056 1.732 1.00 0.00 C ATOM 0 H MET B 663 2.825 -1.034 -2.553 1.00 0.00 H new ATOM 0 HA MET B 663 1.561 0.769 -0.842 1.00 0.00 H new ATOM 0 HB2 MET B 663 3.995 -0.964 -0.265 1.00 0.00 H new ATOM 0 HB3 MET B 663 2.851 -0.349 0.912 1.00 0.00 H new ATOM 0 HG2 MET B 663 2.210 -2.325 -1.306 1.00 0.00 H new ATOM 0 HG3 MET B 663 2.463 -2.732 0.379 1.00 0.00 H new ATOM 0 HE1 MET B 663 -0.571 -0.745 2.052 1.00 0.00 H new ATOM 0 HE2 MET B 663 0.783 -1.851 2.386 1.00 0.00 H new ATOM 0 HE3 MET B 663 1.104 -0.206 1.786 1.00 0.00 H new ATOM 2130 N GLU B 664 4.691 1.516 -1.535 1.00 0.00 N ATOM 2131 CA GLU B 664 5.694 2.570 -1.443 1.00 0.00 C ATOM 2132 C GLU B 664 5.102 3.921 -1.838 1.00 0.00 C ATOM 2133 O GLU B 664 5.150 4.881 -1.069 1.00 0.00 O ATOM 2134 CB GLU B 664 6.892 2.245 -2.338 1.00 0.00 C ATOM 2135 CG GLU B 664 7.898 3.378 -2.443 1.00 0.00 C ATOM 2136 CD GLU B 664 9.290 2.891 -2.797 1.00 0.00 C ATOM 2137 OE1 GLU B 664 9.743 1.897 -2.192 1.00 0.00 O ATOM 2138 OE2 GLU B 664 9.926 3.504 -3.680 1.00 0.00 O ATOM 0 H GLU B 664 4.959 0.729 -2.126 1.00 0.00 H new ATOM 0 HA GLU B 664 6.029 2.628 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU B 664 7.395 1.359 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU B 664 6.532 1.996 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU B 664 7.562 4.088 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU B 664 7.935 3.915 -1.495 1.00 0.00 H new ATOM 2143 N ASP B 665 4.544 3.986 -3.042 1.00 0.00 N ATOM 2144 CA ASP B 665 3.942 5.217 -3.540 1.00 0.00 C ATOM 2145 C ASP B 665 2.648 5.530 -2.796 1.00 0.00 C ATOM 2146 O ASP B 665 2.261 6.691 -2.662 1.00 0.00 O ATOM 2147 CB ASP B 665 3.667 5.105 -5.041 1.00 0.00 C ATOM 2148 CG ASP B 665 3.288 6.435 -5.662 1.00 0.00 C ATOM 2149 OD1 ASP B 665 3.349 7.460 -4.951 1.00 0.00 O ATOM 2150 OD2 ASP B 665 2.931 6.451 -6.858 1.00 0.00 O ATOM 0 H ASP B 665 4.496 3.201 -3.691 1.00 0.00 H new ATOM 0 HA ASP B 665 4.645 6.031 -3.367 1.00 0.00 H new ATOM 0 HB2 ASP B 665 4.553 4.713 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP B 665 2.863 4.388 -5.207 1.00 0.00 H new ATOM 2154 N LEU B 666 1.982 4.486 -2.314 1.00 0.00 N ATOM 2155 CA LEU B 666 0.729 4.649 -1.583 1.00 0.00 C ATOM 2156 C LEU B 666 0.955 5.413 -0.282 1.00 0.00 C ATOM 2157 O LEU B 666 0.124 6.228 0.122 1.00 0.00 O ATOM 2158 CB LEU B 666 0.109 3.282 -1.285 1.00 0.00 C ATOM 2159 CG LEU B 666 -0.474 3.102 0.118 1.00 0.00 C ATOM 2160 CD1 LEU B 666 -1.703 3.977 0.300 1.00 0.00 C ATOM 2161 CD2 LEU B 666 -0.815 1.640 0.369 1.00 0.00 C ATOM 0 H LEU B 666 2.288 3.518 -2.416 1.00 0.00 H new ATOM 0 HA LEU B 666 0.044 5.224 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU B 666 -0.682 3.098 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU B 666 0.870 2.518 -1.441 1.00 0.00 H new ATOM 0 HG LEU B 666 0.277 3.410 0.846 1.00 0.00 H new ATOM 0 HD11 LEU B 666 -2.105 3.836 1.304 1.00 0.00 H new ATOM 0 HD12 LEU B 666 -1.429 5.023 0.162 1.00 0.00 H new ATOM 0 HD13 LEU B 666 -2.459 3.700 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU B 666 -1.228 1.530 1.371 1.00 0.00 H new ATOM 0 HD22 LEU B 666 -1.549 1.306 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU B 666 0.088 1.035 0.280 1.00 0.00 H new ATOM 2172 N VAL B 667 2.083 5.147 0.368 1.00 0.00 N ATOM 2173 CA VAL B 667 2.418 5.812 1.621 1.00 0.00 C ATOM 2174 C VAL B 667 2.831 7.260 1.381 1.00 0.00 C ATOM 2175 O VAL B 667 2.311 8.178 2.016 1.00 0.00 O ATOM 2176 CB VAL B 667 3.556 5.080 2.358 1.00 0.00 C ATOM 2177 CG1 VAL B 667 3.817 5.725 3.710 1.00 0.00 C ATOM 2178 CG2 VAL B 667 3.223 3.605 2.517 1.00 0.00 C ATOM 0 H VAL B 667 2.781 4.475 0.047 1.00 0.00 H new ATOM 0 HA VAL B 667 1.521 5.791 2.241 1.00 0.00 H new ATOM 0 HB VAL B 667 4.465 5.162 1.762 1.00 0.00 H new ATOM 0 HG11 VAL B 667 4.624 5.195 4.216 1.00 0.00 H new ATOM 0 HG12 VAL B 667 4.101 6.767 3.567 1.00 0.00 H new ATOM 0 HG13 VAL B 667 2.913 5.676 4.317 1.00 0.00 H new ATOM 0 HG21 VAL B 667 4.037 3.102 3.039 1.00 0.00 H new ATOM 0 HG22 VAL B 667 2.303 3.500 3.092 1.00 0.00 H new ATOM 0 HG23 VAL B 667 3.090 3.154 1.534 1.00 0.00 H new ATOM 2188 N ARG B 668 3.770 7.456 0.460 1.00 0.00 N ATOM 2189 CA ARG B 668 4.253 8.793 0.138 1.00 0.00 C ATOM 2190 C ARG B 668 3.092 9.729 -0.186 1.00 0.00 C ATOM 2191 O ARG B 668 3.147 10.924 0.101 1.00 0.00 O ATOM 2192 CB ARG B 668 5.221 8.736 -1.046 1.00 0.00 C ATOM 2193 CG ARG B 668 6.361 7.749 -0.854 1.00 0.00 C ATOM 2194 CD ARG B 668 7.701 8.370 -1.213 1.00 0.00 C ATOM 2195 NE ARG B 668 7.727 8.861 -2.588 1.00 0.00 N ATOM 2196 CZ ARG B 668 8.687 9.642 -3.072 1.00 0.00 C ATOM 2197 NH1 ARG B 668 9.695 10.016 -2.297 1.00 0.00 N ATOM 2198 NH2 ARG B 668 8.641 10.047 -4.335 1.00 0.00 N ATOM 0 H ARG B 668 4.210 6.707 -0.075 1.00 0.00 H new ATOM 0 HA ARG B 668 4.777 9.182 1.011 1.00 0.00 H new ATOM 0 HB2 ARG B 668 4.666 8.467 -1.945 1.00 0.00 H new ATOM 0 HB3 ARG B 668 5.636 9.730 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG B 668 6.381 7.412 0.182 1.00 0.00 H new ATOM 0 HG3 ARG B 668 6.189 6.868 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG B 668 7.913 9.193 -0.530 1.00 0.00 H new ATOM 0 HD3 ARG B 668 8.491 7.631 -1.077 1.00 0.00 H new ATOM 0 HE ARG B 668 6.966 8.590 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG B 668 9.735 9.704 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG B 668 10.431 10.616 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG B 668 7.868 9.759 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG B 668 9.378 10.646 -4.706 1.00 0.00 H new ATOM 2209 N ALA B 669 2.043 9.176 -0.786 1.00 0.00 N ATOM 2210 CA ALA B 669 0.869 9.960 -1.147 1.00 0.00 C ATOM 2211 C ALA B 669 0.288 10.672 0.070 1.00 0.00 C ATOM 2212 O ALA B 669 -0.322 11.734 -0.051 1.00 0.00 O ATOM 2213 CB ALA B 669 -0.184 9.069 -1.791 1.00 0.00 C ATOM 0 H ALA B 669 1.983 8.188 -1.032 1.00 0.00 H new ATOM 0 HA ALA B 669 1.177 10.718 -1.867 1.00 0.00 H new ATOM 0 HB1 ALA B 669 -1.055 9.668 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA B 669 0.228 8.611 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA B 669 -0.479 8.289 -1.089 1.00 0.00 H new ATOM 2219 N TYR B 670 0.482 10.080 1.244 1.00 0.00 N ATOM 2220 CA TYR B 670 -0.026 10.656 2.483 1.00 0.00 C ATOM 2221 C TYR B 670 0.957 11.673 3.053 1.00 0.00 C ATOM 2222 O TYR B 670 0.558 12.693 3.616 1.00 0.00 O ATOM 2223 CB TYR B 670 -0.291 9.554 3.511 1.00 0.00 C ATOM 2224 CG TYR B 670 -0.706 10.080 4.868 1.00 0.00 C ATOM 2225 CD1 TYR B 670 0.243 10.453 5.810 1.00 0.00 C ATOM 2226 CD2 TYR B 670 -2.049 10.202 5.205 1.00 0.00 C ATOM 2227 CE1 TYR B 670 -0.132 10.932 7.050 1.00 0.00 C ATOM 2228 CE2 TYR B 670 -2.433 10.681 6.443 1.00 0.00 C ATOM 2229 CZ TYR B 670 -1.470 11.044 7.362 1.00 0.00 C ATOM 2230 OH TYR B 670 -1.849 11.523 8.595 1.00 0.00 O ATOM 0 H TYR B 670 0.987 9.202 1.363 1.00 0.00 H new ATOM 0 HA TYR B 670 -0.962 11.168 2.260 1.00 0.00 H new ATOM 0 HB2 TYR B 670 -1.072 8.895 3.132 1.00 0.00 H new ATOM 0 HB3 TYR B 670 0.609 8.950 3.624 1.00 0.00 H new ATOM 0 HD1 TYR B 670 1.292 10.367 5.569 1.00 0.00 H new ATOM 0 HD2 TYR B 670 -2.805 9.918 4.488 1.00 0.00 H new ATOM 0 HE1 TYR B 670 0.619 11.217 7.772 1.00 0.00 H new ATOM 0 HE2 TYR B 670 -3.481 10.771 6.690 1.00 0.00 H new ATOM 0 HH TYR B 670 -2.827 11.540 8.653 1.00 0.00 H new ATOM 2239 N HIS B 671 2.248 11.388 2.904 1.00 0.00 N ATOM 2240 CA HIS B 671 3.290 12.278 3.402 1.00 0.00 C ATOM 2241 C HIS B 671 3.383 13.538 2.548 1.00 0.00 C ATOM 2242 O HIS B 671 3.931 14.552 2.978 1.00 0.00 O ATOM 2243 CB HIS B 671 4.639 11.558 3.419 1.00 0.00 C ATOM 2244 CG HIS B 671 5.495 11.917 4.595 1.00 0.00 C ATOM 2245 ND1 HIS B 671 6.472 12.888 4.546 1.00 0.00 N ATOM 2246 CD2 HIS B 671 5.515 11.426 5.856 1.00 0.00 C ATOM 2247 CE1 HIS B 671 7.056 12.981 5.728 1.00 0.00 C ATOM 2248 NE2 HIS B 671 6.494 12.104 6.540 1.00 0.00 N ATOM 0 H HIS B 671 2.596 10.548 2.442 1.00 0.00 H new ATOM 0 HA HIS B 671 3.029 12.569 4.419 1.00 0.00 H new ATOM 0 HB2 HIS B 671 4.467 10.482 3.420 1.00 0.00 H new ATOM 0 HB3 HIS B 671 5.179 11.793 2.502 1.00 0.00 H new ATOM 0 HD2 HIS B 671 4.880 10.647 6.251 1.00 0.00 H new ATOM 0 HE1 HIS B 671 7.856 13.659 5.986 1.00 0.00 H new ATOM 0 HE2 HIS B 671 6.746 11.954 7.517 1.00 0.00 H new ATOM 2255 N ALA B 672 2.843 13.467 1.335 1.00 0.00 N ATOM 2256 CA ALA B 672 2.864 14.601 0.421 1.00 0.00 C ATOM 2257 C ALA B 672 2.299 15.852 1.087 1.00 0.00 C ATOM 2258 O ALA B 672 2.897 16.926 1.022 1.00 0.00 O ATOM 2259 CB ALA B 672 2.085 14.276 -0.843 1.00 0.00 C ATOM 0 H ALA B 672 2.385 12.635 0.963 1.00 0.00 H new ATOM 0 HA ALA B 672 3.901 14.800 0.152 1.00 0.00 H new ATOM 0 HB1 ALA B 672 2.110 15.133 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA B 672 2.535 13.414 -1.336 1.00 0.00 H new ATOM 0 HB3 ALA B 672 1.051 14.047 -0.585 1.00 0.00 H new ATOM 2265 N MET B 673 1.142 15.706 1.725 1.00 0.00 N ATOM 2266 CA MET B 673 0.497 16.824 2.402 1.00 0.00 C ATOM 2267 C MET B 673 1.316 17.276 3.607 1.00 0.00 C ATOM 2268 O MET B 673 1.332 18.458 3.952 1.00 0.00 O ATOM 2269 CB MET B 673 -0.914 16.434 2.847 1.00 0.00 C ATOM 2270 CG MET B 673 -0.936 15.388 3.950 1.00 0.00 C ATOM 2271 SD MET B 673 -2.210 14.138 3.697 1.00 0.00 S ATOM 2272 CE MET B 673 -3.500 14.745 4.781 1.00 0.00 C ATOM 0 H MET B 673 0.633 14.825 1.787 1.00 0.00 H new ATOM 0 HA MET B 673 0.432 17.653 1.698 1.00 0.00 H new ATOM 0 HB2 MET B 673 -1.437 17.326 3.193 1.00 0.00 H new ATOM 0 HB3 MET B 673 -1.466 16.055 1.987 1.00 0.00 H new ATOM 0 HG2 MET B 673 0.038 14.902 4.004 1.00 0.00 H new ATOM 0 HG3 MET B 673 -1.101 15.880 4.909 1.00 0.00 H new ATOM 0 HE1 MET B 673 -4.469 14.398 4.423 1.00 0.00 H new ATOM 0 HE2 MET B 673 -3.332 14.372 5.791 1.00 0.00 H new ATOM 0 HE3 MET B 673 -3.485 15.835 4.790 1.00 0.00 H new ATOM 2280 N SER B 674 1.995 16.328 4.245 1.00 0.00 N ATOM 2281 CA SER B 674 2.812 16.628 5.415 1.00 0.00 C ATOM 2282 C SER B 674 4.185 17.146 4.999 1.00 0.00 C ATOM 2283 O SER B 674 5.029 17.447 5.842 1.00 0.00 O ATOM 2284 CB SER B 674 2.969 15.381 6.287 1.00 0.00 C ATOM 2285 OG SER B 674 4.201 14.731 6.034 1.00 0.00 O ATOM 0 H SER B 674 1.995 15.345 3.971 1.00 0.00 H new ATOM 0 HA SER B 674 2.308 17.404 5.990 1.00 0.00 H new ATOM 0 HB2 SER B 674 2.911 15.660 7.339 1.00 0.00 H new ATOM 0 HB3 SER B 674 2.146 14.693 6.094 1.00 0.00 H new ATOM 0 HG SER B 674 4.264 14.509 5.082 1.00 0.00 H new ATOM 2290 N SER B 675 4.401 17.248 3.691 1.00 0.00 N ATOM 2291 CA SER B 675 5.673 17.726 3.161 1.00 0.00 C ATOM 2292 C SER B 675 6.007 19.108 3.714 1.00 0.00 C ATOM 2293 O SER B 675 7.172 19.499 3.782 1.00 0.00 O ATOM 2294 CB SER B 675 5.628 17.773 1.633 1.00 0.00 C ATOM 2295 OG SER B 675 6.887 18.137 1.096 1.00 0.00 O ATOM 0 H SER B 675 3.712 17.006 2.979 1.00 0.00 H new ATOM 0 HA SER B 675 6.452 17.031 3.473 1.00 0.00 H new ATOM 0 HB2 SER B 675 5.332 16.798 1.245 1.00 0.00 H new ATOM 0 HB3 SER B 675 4.871 18.488 1.310 1.00 0.00 H new ATOM 0 HG SER B 675 6.832 18.158 0.118 1.00 0.00 H new ATOM 2300 N THR B 676 4.973 19.846 4.109 1.00 0.00 N ATOM 2301 CA THR B 676 5.154 21.185 4.655 1.00 0.00 C ATOM 2302 C THR B 676 5.833 21.136 6.020 1.00 0.00 C ATOM 2303 O THR B 676 6.267 22.161 6.546 1.00 0.00 O ATOM 2304 CB THR B 676 3.810 21.923 4.790 1.00 0.00 C ATOM 2305 OG1 THR B 676 2.823 21.300 3.961 1.00 0.00 O ATOM 2306 CG2 THR B 676 3.954 23.387 4.400 1.00 0.00 C ATOM 0 H THR B 676 4.002 19.538 4.061 1.00 0.00 H new ATOM 0 HA THR B 676 5.790 21.728 3.955 1.00 0.00 H new ATOM 0 HB THR B 676 3.496 21.870 5.832 1.00 0.00 H new ATOM 0 HG1 THR B 676 1.971 21.775 4.054 1.00 0.00 H new ATOM 0 HG21 THR B 676 2.991 23.888 4.504 1.00 0.00 H new ATOM 0 HG22 THR B 676 4.684 23.867 5.051 1.00 0.00 H new ATOM 0 HG23 THR B 676 4.290 23.457 3.365 1.00 0.00 H new ATOM 2314 N HIS B 677 5.920 19.937 6.589 1.00 0.00 N ATOM 2315 CA HIS B 677 6.547 19.753 7.892 1.00 0.00 C ATOM 2316 C HIS B 677 7.931 20.395 7.924 1.00 0.00 C ATOM 2317 O HIS B 677 8.271 21.112 8.864 1.00 0.00 O ATOM 2318 CB HIS B 677 6.654 18.265 8.226 1.00 0.00 C ATOM 2319 CG HIS B 677 7.437 17.986 9.472 1.00 0.00 C ATOM 2320 ND1 HIS B 677 7.672 18.754 10.562 1.00 0.00 N flip ATOM 2321 CD2 HIS B 677 8.090 16.792 9.698 1.00 0.00 C flip ATOM 2322 CE1 HIS B 677 8.453 18.018 11.418 1.00 0.00 C flip ATOM 2323 NE2 HIS B 677 8.690 16.837 10.874 1.00 0.00 N flip ATOM 0 H HIS B 677 5.564 19.079 6.167 1.00 0.00 H new ATOM 0 HA HIS B 677 5.922 20.240 8.640 1.00 0.00 H new ATOM 0 HB2 HIS B 677 5.651 17.853 8.337 1.00 0.00 H new ATOM 0 HB3 HIS B 677 7.121 17.746 7.389 1.00 0.00 H new ATOM 0 HD2 HIS B 677 8.108 15.952 9.020 1.00 0.00 H new ATOM 0 HE1 HIS B 677 8.815 18.350 12.380 1.00 0.00 H new ATOM 0 HE2 HIS B 677 9.242 16.088 11.291 1.00 0.00 H new ATOM 2330 N GLU B 678 8.725 20.130 6.892 1.00 0.00 N ATOM 2331 CA GLU B 678 10.073 20.680 6.804 1.00 0.00 C ATOM 2332 C GLU B 678 10.044 22.108 6.264 1.00 0.00 C ATOM 2333 O GLU B 678 11.013 22.853 6.399 1.00 0.00 O ATOM 2334 CB GLU B 678 10.949 19.802 5.908 1.00 0.00 C ATOM 2335 CG GLU B 678 11.332 18.476 6.543 1.00 0.00 C ATOM 2336 CD GLU B 678 12.565 17.860 5.911 1.00 0.00 C ATOM 2337 OE1 GLU B 678 12.426 17.217 4.849 1.00 0.00 O ATOM 2338 OE2 GLU B 678 13.666 18.020 6.476 1.00 0.00 O ATOM 0 H GLU B 678 8.459 19.538 6.105 1.00 0.00 H new ATOM 0 HA GLU B 678 10.497 20.698 7.808 1.00 0.00 H new ATOM 0 HB2 GLU B 678 10.421 19.609 4.974 1.00 0.00 H new ATOM 0 HB3 GLU B 678 11.857 20.349 5.653 1.00 0.00 H new ATOM 0 HG2 GLU B 678 11.511 18.626 7.608 1.00 0.00 H new ATOM 0 HG3 GLU B 678 10.497 17.781 6.454 1.00 0.00 H new ATOM 2343 N ALA B 679 8.924 22.479 5.651 1.00 0.00 N ATOM 2344 CA ALA B 679 8.767 23.815 5.092 1.00 0.00 C ATOM 2345 C ALA B 679 8.943 24.884 6.166 1.00 0.00 C ATOM 2346 O ALA B 679 9.207 26.046 5.861 1.00 0.00 O ATOM 2347 CB ALA B 679 7.407 23.953 4.425 1.00 0.00 C ATOM 0 H ALA B 679 8.113 21.873 5.529 1.00 0.00 H new ATOM 0 HA ALA B 679 9.543 23.960 4.341 1.00 0.00 H new ATOM 0 HB1 ALA B 679 7.304 24.957 4.012 1.00 0.00 H new ATOM 0 HB2 ALA B 679 7.319 23.220 3.623 1.00 0.00 H new ATOM 0 HB3 ALA B 679 6.622 23.782 5.161 1.00 0.00 H new ATOM 2353 N ASN B 680 8.791 24.482 7.424 1.00 0.00 N ATOM 2354 CA ASN B 680 8.931 25.406 8.543 1.00 0.00 C ATOM 2355 C ASN B 680 10.303 26.074 8.528 1.00 0.00 C ATOM 2356 O ASN B 680 10.416 27.281 8.307 1.00 0.00 O ATOM 2357 CB ASN B 680 8.724 24.670 9.868 1.00 0.00 C ATOM 2358 CG ASN B 680 8.974 25.561 11.070 1.00 0.00 C ATOM 2359 OD1 ASN B 680 8.527 26.707 11.111 1.00 0.00 O ATOM 2360 ND2 ASN B 680 9.693 25.036 12.056 1.00 0.00 N ATOM 0 H ASN B 680 8.571 23.523 7.693 1.00 0.00 H new ATOM 0 HA ASN B 680 8.169 26.179 8.442 1.00 0.00 H new ATOM 0 HB2 ASN B 680 7.705 24.284 9.911 1.00 0.00 H new ATOM 0 HB3 ASN B 680 9.393 23.810 9.911 1.00 0.00 H new ATOM 0 HD21 ASN B 680 9.894 25.588 12.890 1.00 0.00 H new ATOM 0 HD22 ASN B 680 10.044 24.081 11.979 1.00 0.00 H new ATOM 2366 N THR B 681 11.344 25.282 8.766 1.00 0.00 N ATOM 2367 CA THR B 681 12.708 25.796 8.781 1.00 0.00 C ATOM 2368 C THR B 681 13.052 26.479 7.463 1.00 0.00 C ATOM 2369 O THR B 681 13.943 27.327 7.407 1.00 0.00 O ATOM 2370 CB THR B 681 13.728 24.673 9.046 1.00 0.00 C ATOM 2371 OG1 THR B 681 13.231 23.787 10.056 1.00 0.00 O ATOM 2372 CG2 THR B 681 15.067 25.249 9.483 1.00 0.00 C ATOM 0 H THR B 681 11.268 24.282 8.951 1.00 0.00 H new ATOM 0 HA THR B 681 12.763 26.525 9.590 1.00 0.00 H new ATOM 0 HB THR B 681 13.874 24.120 8.118 1.00 0.00 H new ATOM 0 HG1 THR B 681 13.885 23.075 10.217 1.00 0.00 H new ATOM 0 HG21 THR B 681 15.771 24.437 9.664 1.00 0.00 H new ATOM 0 HG22 THR B 681 15.457 25.899 8.699 1.00 0.00 H new ATOM 0 HG23 THR B 681 14.934 25.825 10.399 1.00 0.00 H new ATOM 2380 N MET B 682 12.340 26.107 6.405 1.00 0.00 N ATOM 2381 CA MET B 682 12.570 26.688 5.086 1.00 0.00 C ATOM 2382 C MET B 682 12.585 28.211 5.159 1.00 0.00 C ATOM 2383 O MET B 682 13.294 28.870 4.398 1.00 0.00 O ATOM 2384 CB MET B 682 11.492 26.223 4.106 1.00 0.00 C ATOM 2385 CG MET B 682 11.920 26.302 2.650 1.00 0.00 C ATOM 2386 SD MET B 682 10.530 26.553 1.529 1.00 0.00 S ATOM 2387 CE MET B 682 9.313 25.453 2.249 1.00 0.00 C ATOM 0 H MET B 682 11.599 25.406 6.434 1.00 0.00 H new ATOM 0 HA MET B 682 13.543 26.349 4.731 1.00 0.00 H new ATOM 0 HB2 MET B 682 11.219 25.194 4.341 1.00 0.00 H new ATOM 0 HB3 MET B 682 10.598 26.830 4.247 1.00 0.00 H new ATOM 0 HG2 MET B 682 12.632 27.119 2.528 1.00 0.00 H new ATOM 0 HG3 MET B 682 12.440 25.383 2.378 1.00 0.00 H new ATOM 0 HE1 MET B 682 8.455 25.373 1.582 1.00 0.00 H new ATOM 0 HE2 MET B 682 9.754 24.467 2.393 1.00 0.00 H new ATOM 0 HE3 MET B 682 8.989 25.849 3.211 1.00 0.00 H new ATOM 2395 N ALA B 683 11.801 28.764 6.078 1.00 0.00 N ATOM 2396 CA ALA B 683 11.726 30.210 6.249 1.00 0.00 C ATOM 2397 C ALA B 683 13.116 30.815 6.411 1.00 0.00 C ATOM 2398 O ALA B 683 13.359 31.952 6.006 1.00 0.00 O ATOM 2399 CB ALA B 683 10.855 30.554 7.448 1.00 0.00 C ATOM 0 H ALA B 683 11.208 28.233 6.716 1.00 0.00 H new ATOM 0 HA ALA B 683 11.275 30.636 5.352 1.00 0.00 H new ATOM 0 HB1 ALA B 683 10.807 31.637 7.564 1.00 0.00 H new ATOM 0 HB2 ALA B 683 9.850 30.161 7.292 1.00 0.00 H new ATOM 0 HB3 ALA B 683 11.283 30.111 8.347 1.00 0.00 H new ATOM 2405 N MET B 684 14.025 30.049 7.005 1.00 0.00 N ATOM 2406 CA MET B 684 15.392 30.511 7.219 1.00 0.00 C ATOM 2407 C MET B 684 16.167 30.543 5.906 1.00 0.00 C ATOM 2408 O MET B 684 15.922 29.735 5.011 1.00 0.00 O ATOM 2409 CB MET B 684 16.107 29.608 8.226 1.00 0.00 C ATOM 2410 CG MET B 684 17.082 30.351 9.124 1.00 0.00 C ATOM 2411 SD MET B 684 17.904 29.266 10.306 1.00 0.00 S ATOM 2412 CE MET B 684 17.617 30.150 11.836 1.00 0.00 C ATOM 0 H MET B 684 13.840 29.106 7.347 1.00 0.00 H new ATOM 0 HA MET B 684 15.348 31.524 7.619 1.00 0.00 H new ATOM 0 HB2 MET B 684 15.363 29.109 8.846 1.00 0.00 H new ATOM 0 HB3 MET B 684 16.645 28.829 7.685 1.00 0.00 H new ATOM 0 HG2 MET B 684 17.833 30.845 8.508 1.00 0.00 H new ATOM 0 HG3 MET B 684 16.548 31.133 9.665 1.00 0.00 H new ATOM 0 HE1 MET B 684 18.068 29.602 12.663 1.00 0.00 H new ATOM 0 HE2 MET B 684 18.064 31.142 11.772 1.00 0.00 H new ATOM 0 HE3 MET B 684 16.544 30.245 12.006 1.00 0.00 H new ATOM 2420 N MET B 685 17.103 31.481 5.798 1.00 0.00 N ATOM 2421 CA MET B 685 17.914 31.615 4.594 1.00 0.00 C ATOM 2422 C MET B 685 19.226 30.851 4.734 1.00 0.00 C ATOM 2423 O MET B 685 19.821 30.434 3.741 1.00 0.00 O ATOM 2424 CB MET B 685 18.199 33.092 4.309 1.00 0.00 C ATOM 2425 CG MET B 685 19.079 33.316 3.089 1.00 0.00 C ATOM 2426 SD MET B 685 18.836 34.939 2.345 1.00 0.00 S ATOM 2427 CE MET B 685 20.295 35.801 2.926 1.00 0.00 C ATOM 0 H MET B 685 17.318 32.159 6.529 1.00 0.00 H new ATOM 0 HA MET B 685 17.355 31.191 3.760 1.00 0.00 H new ATOM 0 HB2 MET B 685 17.254 33.615 4.166 1.00 0.00 H new ATOM 0 HB3 MET B 685 18.680 33.536 5.181 1.00 0.00 H new ATOM 0 HG2 MET B 685 20.125 33.205 3.375 1.00 0.00 H new ATOM 0 HG3 MET B 685 18.868 32.546 2.347 1.00 0.00 H new ATOM 0 HE1 MET B 685 20.289 36.823 2.548 1.00 0.00 H new ATOM 0 HE2 MET B 685 20.298 35.818 4.016 1.00 0.00 H new ATOM 0 HE3 MET B 685 21.188 35.287 2.569 1.00 0.00 H new ATOM 2435 N ALA B 686 19.671 30.670 5.974 1.00 0.00 N ATOM 2436 CA ALA B 686 20.911 29.954 6.242 1.00 0.00 C ATOM 2437 C ALA B 686 20.926 28.598 5.544 1.00 0.00 C ATOM 2438 O ALA B 686 21.919 28.220 4.923 1.00 0.00 O ATOM 2439 CB ALA B 686 21.106 29.779 7.741 1.00 0.00 C ATOM 0 H ALA B 686 19.191 31.009 6.807 1.00 0.00 H new ATOM 0 HA ALA B 686 21.735 30.546 5.845 1.00 0.00 H new ATOM 0 HB1 ALA B 686 22.036 29.242 7.927 1.00 0.00 H new ATOM 0 HB2 ALA B 686 21.150 30.758 8.219 1.00 0.00 H new ATOM 0 HB3 ALA B 686 20.271 29.211 8.153 1.00 0.00 H new ATOM 2445 N ARG B 687 19.818 27.871 5.651 1.00 0.00 N ATOM 2446 CA ARG B 687 19.704 26.557 5.031 1.00 0.00 C ATOM 2447 C ARG B 687 19.486 26.683 3.525 1.00 0.00 C ATOM 2448 O ARG B 687 20.396 26.433 2.733 1.00 0.00 O ATOM 2449 CB ARG B 687 18.552 25.772 5.659 1.00 0.00 C ATOM 2450 CG ARG B 687 19.009 24.666 6.596 1.00 0.00 C ATOM 2451 CD ARG B 687 19.545 25.230 7.904 1.00 0.00 C ATOM 2452 NE ARG B 687 20.841 24.658 8.257 1.00 0.00 N ATOM 2453 CZ ARG B 687 20.988 23.469 8.829 1.00 0.00 C ATOM 2454 NH1 ARG B 687 19.926 22.729 9.111 1.00 0.00 N ATOM 2455 NH2 ARG B 687 22.202 23.016 9.120 1.00 0.00 N ATOM 0 H ARG B 687 18.987 28.170 6.161 1.00 0.00 H new ATOM 0 HA ARG B 687 20.637 26.020 5.202 1.00 0.00 H new ATOM 0 HB2 ARG B 687 17.911 26.461 6.209 1.00 0.00 H new ATOM 0 HB3 ARG B 687 17.945 25.337 4.865 1.00 0.00 H new ATOM 0 HG2 ARG B 687 18.175 23.995 6.802 1.00 0.00 H new ATOM 0 HG3 ARG B 687 19.783 24.073 6.110 1.00 0.00 H new ATOM 0 HD2 ARG B 687 19.637 26.313 7.821 1.00 0.00 H new ATOM 0 HD3 ARG B 687 18.831 25.031 8.704 1.00 0.00 H new ATOM 0 HE ARG B 687 21.680 25.202 8.053 1.00 0.00 H new ATOM 0 HH11 ARG B 687 18.992 23.072 8.889 1.00 0.00 H new ATOM 0 HH12 ARG B 687 20.043 21.816 9.550 1.00 0.00 H new ATOM 0 HH21 ARG B 687 23.023 23.582 8.904 1.00 0.00 H new ATOM 0 HH22 ARG B 687 22.314 22.102 9.559 1.00 0.00 H new ATOM 2466 N ASP B 688 18.276 27.072 3.139 1.00 0.00 N ATOM 2467 CA ASP B 688 17.939 27.231 1.729 1.00 0.00 C ATOM 2468 C ASP B 688 18.156 25.928 0.967 1.00 0.00 C ATOM 2469 O ASP B 688 19.237 25.681 0.431 1.00 0.00 O ATOM 2470 CB ASP B 688 18.778 28.347 1.104 1.00 0.00 C ATOM 2471 CG ASP B 688 17.964 29.594 0.821 1.00 0.00 C ATOM 2472 OD1 ASP B 688 17.014 29.870 1.583 1.00 0.00 O ATOM 2473 OD2 ASP B 688 18.277 30.295 -0.164 1.00 0.00 O ATOM 0 H ASP B 688 17.513 27.283 3.782 1.00 0.00 H new ATOM 0 HA ASP B 688 16.884 27.499 1.662 1.00 0.00 H new ATOM 0 HB2 ASP B 688 19.600 28.598 1.774 1.00 0.00 H new ATOM 0 HB3 ASP B 688 19.221 27.988 0.175 1.00 0.00 H new ATOM 2477 N THR B 689 17.121 25.094 0.923 1.00 0.00 N ATOM 2478 CA THR B 689 17.199 23.814 0.229 1.00 0.00 C ATOM 2479 C THR B 689 16.253 23.778 -0.965 1.00 0.00 C ATOM 2480 O THR B 689 16.649 23.416 -2.072 1.00 0.00 O ATOM 2481 CB THR B 689 16.864 22.643 1.172 1.00 0.00 C ATOM 2482 OG1 THR B 689 15.628 22.897 1.848 1.00 0.00 O ATOM 2483 CG2 THR B 689 17.973 22.435 2.192 1.00 0.00 C ATOM 0 H THR B 689 16.219 25.282 1.360 1.00 0.00 H new ATOM 0 HA THR B 689 18.225 23.706 -0.122 1.00 0.00 H new ATOM 0 HB THR B 689 16.770 21.738 0.572 1.00 0.00 H new ATOM 0 HG1 THR B 689 15.421 22.147 2.444 1.00 0.00 H new ATOM 0 HG21 THR B 689 17.714 21.603 2.847 1.00 0.00 H new ATOM 0 HG22 THR B 689 18.906 22.213 1.675 1.00 0.00 H new ATOM 0 HG23 THR B 689 18.095 23.340 2.787 1.00 0.00 H new ATOM 2491 N ALA B 690 15.000 24.156 -0.733 1.00 0.00 N ATOM 2492 CA ALA B 690 13.997 24.169 -1.790 1.00 0.00 C ATOM 2493 C ALA B 690 13.944 25.528 -2.480 1.00 0.00 C ATOM 2494 O ALA B 690 13.498 25.637 -3.621 1.00 0.00 O ATOM 2495 CB ALA B 690 12.630 23.807 -1.227 1.00 0.00 C ATOM 0 H ALA B 690 14.656 24.457 0.179 1.00 0.00 H new ATOM 0 HA ALA B 690 14.280 23.424 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA B 690 11.891 23.821 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA B 690 12.670 22.810 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA B 690 12.349 24.530 -0.462 1.00 0.00 H new ATOM 2501 N GLU B 691 14.401 26.560 -1.778 1.00 0.00 N ATOM 2502 CA GLU B 691 14.404 27.913 -2.324 1.00 0.00 C ATOM 2503 C GLU B 691 15.508 28.078 -3.363 1.00 0.00 C ATOM 2504 O GLU B 691 15.240 28.370 -4.528 1.00 0.00 O ATOM 2505 CB GLU B 691 14.585 28.938 -1.203 1.00 0.00 C ATOM 2506 CG GLU B 691 13.830 28.591 0.068 1.00 0.00 C ATOM 2507 CD GLU B 691 13.138 29.792 0.683 1.00 0.00 C ATOM 2508 OE1 GLU B 691 13.795 30.844 0.831 1.00 0.00 O ATOM 2509 OE2 GLU B 691 11.940 29.679 1.017 1.00 0.00 O ATOM 0 H GLU B 691 14.774 26.486 -0.831 1.00 0.00 H new ATOM 0 HA GLU B 691 13.444 28.083 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU B 691 15.646 29.027 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU B 691 14.253 29.914 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU B 691 13.089 27.823 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU B 691 14.524 28.165 0.793 1.00 0.00 H new ATOM 2514 N ALA B 692 16.752 27.889 -2.932 1.00 0.00 N ATOM 2515 CA ALA B 692 17.897 28.016 -3.824 1.00 0.00 C ATOM 2516 C ALA B 692 17.841 26.978 -4.940 1.00 0.00 C ATOM 2517 O ALA B 692 18.414 27.173 -6.012 1.00 0.00 O ATOM 2518 CB ALA B 692 19.194 27.882 -3.041 1.00 0.00 C ATOM 0 H ALA B 692 16.991 27.647 -1.970 1.00 0.00 H new ATOM 0 HA ALA B 692 17.862 29.005 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA B 692 20.041 27.979 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA B 692 19.245 28.665 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA B 692 19.227 26.906 -2.557 1.00 0.00 H new ATOM 2524 N ALA B 693 17.148 25.874 -4.680 1.00 0.00 N ATOM 2525 CA ALA B 693 17.018 24.805 -5.663 1.00 0.00 C ATOM 2526 C ALA B 693 15.869 25.084 -6.627 1.00 0.00 C ATOM 2527 O ALA B 693 15.874 24.619 -7.768 1.00 0.00 O ATOM 2528 CB ALA B 693 16.810 23.469 -4.966 1.00 0.00 C ATOM 0 H ALA B 693 16.668 25.697 -3.798 1.00 0.00 H new ATOM 0 HA ALA B 693 17.942 24.761 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA B 693 16.715 22.680 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA B 693 17.664 23.258 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA B 693 15.903 23.510 -4.364 1.00 0.00 H new ATOM 2534 N LYS B 694 14.885 25.847 -6.164 1.00 0.00 N ATOM 2535 CA LYS B 694 13.729 26.189 -6.984 1.00 0.00 C ATOM 2536 C LYS B 694 14.157 26.947 -8.237 1.00 0.00 C ATOM 2537 O LYS B 694 15.279 27.447 -8.318 1.00 0.00 O ATOM 2538 CB LYS B 694 12.738 27.032 -6.179 1.00 0.00 C ATOM 2539 CG LYS B 694 11.404 26.344 -5.945 1.00 0.00 C ATOM 2540 CD LYS B 694 10.639 26.985 -4.799 1.00 0.00 C ATOM 2541 CE LYS B 694 10.152 25.943 -3.803 1.00 0.00 C ATOM 2542 NZ LYS B 694 8.826 25.386 -4.187 1.00 0.00 N ATOM 0 H LYS B 694 14.865 26.241 -5.223 1.00 0.00 H new ATOM 0 HA LYS B 694 13.244 25.262 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS B 694 13.183 27.280 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS B 694 12.565 27.973 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS B 694 10.805 26.391 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS B 694 11.571 25.289 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS B 694 11.280 27.705 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS B 694 9.787 27.539 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS B 694 10.880 25.135 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS B 694 10.084 26.392 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS B 694 8.529 24.680 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 694 8.125 26.153 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 694 8.896 24.935 -5.122 1.00 0.00 H new ATOM 2552 N TRP B 695 13.257 27.029 -9.210 1.00 0.00 N ATOM 2553 CA TRP B 695 13.541 27.728 -10.458 1.00 0.00 C ATOM 2554 C TRP B 695 12.255 28.211 -11.118 1.00 0.00 C ATOM 2555 O TRP B 695 12.192 28.370 -12.336 1.00 0.00 O ATOM 2556 CB TRP B 695 14.309 26.814 -11.414 1.00 0.00 C ATOM 2557 CG TRP B 695 15.616 27.389 -11.867 1.00 0.00 C ATOM 2558 CD1 TRP B 695 16.806 26.729 -11.981 1.00 0.00 C ATOM 2559 CD2 TRP B 695 15.866 28.742 -12.264 1.00 0.00 C ATOM 2560 NE1 TRP B 695 17.781 27.590 -12.424 1.00 0.00 N ATOM 2561 CE2 TRP B 695 17.229 28.831 -12.607 1.00 0.00 C ATOM 2562 CE3 TRP B 695 15.069 29.886 -12.365 1.00 0.00 C ATOM 2563 CZ2 TRP B 695 17.811 30.019 -13.041 1.00 0.00 C ATOM 2564 CZ3 TRP B 695 15.649 31.065 -12.796 1.00 0.00 C ATOM 2565 CH2 TRP B 695 17.008 31.123 -13.130 1.00 0.00 C ATOM 0 H TRP B 695 12.324 26.620 -9.159 1.00 0.00 H new ATOM 0 HA TRP B 695 14.155 28.598 -10.226 1.00 0.00 H new ATOM 0 HB2 TRP B 695 14.492 25.858 -10.923 1.00 0.00 H new ATOM 0 HB3 TRP B 695 13.689 26.610 -12.287 1.00 0.00 H new ATOM 0 HD1 TRP B 695 16.958 25.684 -11.756 1.00 0.00 H new ATOM 0 HE1 TRP B 695 18.757 27.345 -12.590 1.00 0.00 H new ATOM 0 HE3 TRP B 695 14.020 29.850 -12.111 1.00 0.00 H new ATOM 0 HZ2 TRP B 695 18.859 30.067 -13.298 1.00 0.00 H new ATOM 0 HZ3 TRP B 695 15.044 31.956 -12.876 1.00 0.00 H new ATOM 0 HH2 TRP B 695 17.431 32.059 -13.465 1.00 0.00 H new ATOM 2575 N GLY B 696 11.228 28.442 -10.305 1.00 0.00 N ATOM 2576 CA GLY B 696 9.957 28.905 -10.828 1.00 0.00 C ATOM 2577 C GLY B 696 9.786 30.405 -10.696 1.00 0.00 C ATOM 2578 O GLY B 696 10.766 31.145 -10.627 1.00 0.00 O ATOM 0 H GLY B 696 11.255 28.316 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY B 696 9.876 28.625 -11.878 1.00 0.00 H new ATOM 0 HA3 GLY B 696 9.146 28.402 -10.301 1.00 0.00 H new ATOM 2582 N GLY B 697 8.536 30.857 -10.662 1.00 0.00 N ATOM 2583 CA GLY B 697 8.263 32.277 -10.539 1.00 0.00 C ATOM 2584 C GLY B 697 7.729 32.878 -11.824 1.00 0.00 C ATOM 2585 O GLY B 697 8.437 32.942 -12.828 1.00 0.00 O ATOM 0 H GLY B 697 7.707 30.265 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY B 697 7.540 32.437 -9.739 1.00 0.00 H new ATOM 0 HA3 GLY B 697 9.177 32.796 -10.251 1.00 0.00 H new TER 2589 GLY B 697