USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 ASN : amide:sc= -2.54! C(o=-2.3!,f=-5.1!) USER MOD Set 1.2: A 134 THR OG1 : rot -24:sc= 0.242 USER MOD Set 2.1: A 79 MET CE :methyl 158:sc= -0.613 (180deg=-0.686) USER MOD Set 2.2: A 117 GLN :FLIP amide:sc= -0.219 F(o=-2.4,f=-0.83) USER MOD Set 3.1: A 63 SER OG : rot 44:sc= 0.207 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0.202 USER MOD Set 4.1: A 56 ASN : amide:sc= 0.0308 K(o=0.2,f=-5.7!) USER MOD Set 4.2: A 58 SER OG : rot -75:sc= 0.173 USER MOD Single : A 33 HIS : no HD1:sc=-0.000601 X(o=-0.0006,f=-0.12) USER MOD Single : A 36 THR OG1 : rot 100:sc= -0.718 USER MOD Single : A 37 SER OG : rot 180:sc= -0.358 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -2.51 (180deg=-4.04!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.794 F(o=-2,f=-0.79) USER MOD Single : A 62 GLN : amide:sc= -2.98 K(o=-3,f=-8.9!) USER MOD Single : A 64 MET CE :methyl -156:sc= -2.18 (180deg=-2.93!) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.58 F(o=-3.1!,f=-1.6) USER MOD Single : A 68 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.8) USER MOD Single : A 72 GLN : amide:sc= -2.53 X(o=-2.5,f=-2.4) USER MOD Single : A 73 ASN : amide:sc= -4.6! C(o=-4.6!,f=-8.4!) USER MOD Single : A 80 THR OG1 : rot 82:sc= -3.66! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.976 F(o=-3.2!,f=-0.98) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 35:sc= 0.262 USER MOD Single : A 106 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-5.7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -2:sc= 0.534 USER MOD Single : A 115 LYS NZ :NH3+ -153:sc= 0.0252 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -1.03 X(o=-1,f=-0.86) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= 0.0841 USER MOD Single : A 124 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -117:sc= -3.62 USER MOD Single : A 133 SER OG : rot 180:sc= -1.07 USER MOD Single : A 140 MET CE :methyl 142:sc= 0 (180deg=-0.0489) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -6.092 4.959 8.506 1.00 0.00 N ATOM 440 CA HIS A 33 -5.350 4.883 9.753 1.00 0.00 C ATOM 441 C HIS A 33 -4.328 3.747 9.672 1.00 0.00 C ATOM 442 O HIS A 33 -4.524 2.687 10.264 1.00 0.00 O ATOM 443 CB HIS A 33 -6.301 4.741 10.943 1.00 0.00 C ATOM 444 CG HIS A 33 -7.004 6.022 11.323 1.00 0.00 C ATOM 445 ND1 HIS A 33 -6.324 7.171 11.688 1.00 0.00 N ATOM 446 CD2 HIS A 33 -8.332 6.323 11.391 1.00 0.00 C ATOM 447 CE1 HIS A 33 -7.213 8.115 11.961 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.457 7.587 11.777 1.00 0.00 N ATOM 0 HA HIS A 33 -4.800 5.811 9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.049 3.984 10.709 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.739 4.378 11.803 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.145 5.647 11.168 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.991 9.125 12.274 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.338 8.082 11.914 1.00 0.00 H new ATOM 456 N ALA A 34 -3.258 4.009 8.936 1.00 0.00 N ATOM 457 CA ALA A 34 -2.204 3.022 8.771 1.00 0.00 C ATOM 458 C ALA A 34 -0.980 3.448 9.584 1.00 0.00 C ATOM 459 O ALA A 34 -0.876 4.601 9.998 1.00 0.00 O ATOM 460 CB ALA A 34 -1.887 2.858 7.283 1.00 0.00 C ATOM 0 H ALA A 34 -3.098 4.890 8.447 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.526 2.050 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.097 2.118 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.781 2.526 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.557 3.813 6.874 1.00 0.00 H new ATOM 466 N ARG A 35 -0.084 2.493 9.789 1.00 0.00 N ATOM 467 CA ARG A 35 1.129 2.755 10.545 1.00 0.00 C ATOM 468 C ARG A 35 2.145 1.633 10.324 1.00 0.00 C ATOM 469 O ARG A 35 1.977 0.528 10.838 1.00 0.00 O ATOM 470 CB ARG A 35 0.830 2.875 12.041 1.00 0.00 C ATOM 471 CG ARG A 35 1.373 4.189 12.605 1.00 0.00 C ATOM 472 CD ARG A 35 0.258 5.010 13.255 1.00 0.00 C ATOM 473 NE ARG A 35 0.829 6.201 13.922 1.00 0.00 N ATOM 474 CZ ARG A 35 1.330 7.260 13.270 1.00 0.00 C ATOM 475 NH1 ARG A 35 1.333 7.281 11.931 1.00 0.00 N ATOM 476 NH2 ARG A 35 1.828 8.296 13.958 1.00 0.00 N ATOM 0 H ARG A 35 -0.174 1.537 9.445 1.00 0.00 H new ATOM 0 HA ARG A 35 1.543 3.699 10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.246 2.822 12.206 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.276 2.035 12.573 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.151 3.980 13.340 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.837 4.768 11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.466 5.318 12.500 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.279 4.399 13.981 1.00 0.00 H new ATOM 0 HE ARG A 35 0.842 6.217 14.942 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.954 6.492 11.408 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.714 8.086 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.826 8.279 14.978 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.209 9.102 13.462 1.00 0.00 H new ATOM 490 N THR A 36 3.177 1.956 9.558 1.00 0.00 N ATOM 491 CA THR A 36 4.220 0.989 9.262 1.00 0.00 C ATOM 492 C THR A 36 5.222 0.914 10.416 1.00 0.00 C ATOM 493 O THR A 36 5.470 1.912 11.092 1.00 0.00 O ATOM 494 CB THR A 36 4.860 1.376 7.927 1.00 0.00 C ATOM 495 OG1 THR A 36 4.159 0.592 6.966 1.00 0.00 O ATOM 496 CG2 THR A 36 6.309 0.900 7.812 1.00 0.00 C ATOM 0 H THR A 36 3.313 2.874 9.134 1.00 0.00 H new ATOM 0 HA THR A 36 3.810 -0.016 9.163 1.00 0.00 H new ATOM 0 HB THR A 36 4.824 2.459 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.476 1.143 6.530 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.715 1.201 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.903 1.346 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.343 -0.186 7.898 1.00 0.00 H new ATOM 504 N SER A 37 5.769 -0.277 10.607 1.00 0.00 N ATOM 505 CA SER A 37 6.738 -0.494 11.668 1.00 0.00 C ATOM 506 C SER A 37 7.622 -1.696 11.331 1.00 0.00 C ATOM 507 O SER A 37 7.380 -2.803 11.809 1.00 0.00 O ATOM 508 CB SER A 37 6.042 -0.707 13.014 1.00 0.00 C ATOM 509 OG SER A 37 4.938 0.176 13.190 1.00 0.00 O ATOM 0 H SER A 37 5.560 -1.102 10.045 1.00 0.00 H new ATOM 0 HA SER A 37 7.362 0.396 11.749 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.696 -1.738 13.084 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.759 -0.556 13.821 1.00 0.00 H new ATOM 0 HG SER A 37 4.520 0.007 14.060 1.00 0.00 H new ATOM 515 N GLY A 38 8.630 -1.438 10.510 1.00 0.00 N ATOM 516 CA GLY A 38 9.551 -2.485 10.103 1.00 0.00 C ATOM 517 C GLY A 38 10.287 -2.100 8.818 1.00 0.00 C ATOM 518 O GLY A 38 10.632 -0.936 8.622 1.00 0.00 O ATOM 0 H GLY A 38 8.829 -0.518 10.116 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.273 -2.668 10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.004 -3.415 9.948 1.00 0.00 H new ATOM 522 N ARG A 39 10.505 -3.099 7.977 1.00 0.00 N ATOM 523 CA ARG A 39 11.193 -2.880 6.716 1.00 0.00 C ATOM 524 C ARG A 39 10.181 -2.666 5.589 1.00 0.00 C ATOM 525 O ARG A 39 10.354 -1.780 4.754 1.00 0.00 O ATOM 526 CB ARG A 39 12.094 -4.066 6.366 1.00 0.00 C ATOM 527 CG ARG A 39 13.445 -3.957 7.074 1.00 0.00 C ATOM 528 CD ARG A 39 14.446 -4.965 6.505 1.00 0.00 C ATOM 529 NE ARG A 39 14.831 -5.941 7.549 1.00 0.00 N ATOM 530 CZ ARG A 39 15.268 -7.181 7.293 1.00 0.00 C ATOM 531 NH1 ARG A 39 15.380 -7.604 6.027 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.595 -7.998 8.304 1.00 0.00 N ATOM 0 H ARG A 39 10.217 -4.063 8.144 1.00 0.00 H new ATOM 0 HA ARG A 39 11.812 -1.990 6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.604 -4.996 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.247 -4.105 5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.838 -2.946 6.962 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.315 -4.132 8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.007 -5.485 5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.331 -4.444 6.139 1.00 0.00 H new ATOM 0 HE ARG A 39 14.759 -5.651 8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.132 -6.982 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.713 -8.548 5.832 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.511 -7.675 9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.928 -8.942 8.109 1.00 0.00 H new ATOM 546 N VAL A 40 9.147 -3.494 5.601 1.00 0.00 N ATOM 547 CA VAL A 40 8.107 -3.407 4.590 1.00 0.00 C ATOM 548 C VAL A 40 6.997 -2.477 5.085 1.00 0.00 C ATOM 549 O VAL A 40 6.949 -2.136 6.266 1.00 0.00 O ATOM 550 CB VAL A 40 7.601 -4.808 4.238 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.465 -4.739 3.215 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.742 -5.692 3.731 1.00 0.00 C ATOM 0 H VAL A 40 9.007 -4.228 6.295 1.00 0.00 H new ATOM 0 HA VAL A 40 8.504 -2.978 3.670 1.00 0.00 H new ATOM 0 HB VAL A 40 7.206 -5.260 5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.123 -5.748 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.638 -4.162 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.824 -4.258 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.355 -6.682 3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.180 -5.245 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.505 -5.780 4.504 1.00 0.00 H new ATOM 562 N ALA A 41 6.132 -2.094 4.157 1.00 0.00 N ATOM 563 CA ALA A 41 5.026 -1.211 4.484 1.00 0.00 C ATOM 564 C ALA A 41 3.860 -1.486 3.532 1.00 0.00 C ATOM 565 O ALA A 41 4.069 -1.742 2.347 1.00 0.00 O ATOM 566 CB ALA A 41 5.498 0.243 4.422 1.00 0.00 C ATOM 0 H ALA A 41 6.175 -2.379 3.179 1.00 0.00 H new ATOM 0 HA ALA A 41 4.674 -1.397 5.499 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.668 0.906 4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.307 0.394 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.856 0.467 3.417 1.00 0.00 H new ATOM 572 N VAL A 42 2.658 -1.424 4.086 1.00 0.00 N ATOM 573 CA VAL A 42 1.459 -1.663 3.301 1.00 0.00 C ATOM 574 C VAL A 42 1.280 -0.527 2.292 1.00 0.00 C ATOM 575 O VAL A 42 0.588 0.452 2.571 1.00 0.00 O ATOM 576 CB VAL A 42 0.254 -1.837 4.226 1.00 0.00 C ATOM 577 CG1 VAL A 42 -0.992 -2.241 3.435 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.553 -2.852 5.332 1.00 0.00 C ATOM 0 H VAL A 42 2.489 -1.212 5.069 1.00 0.00 H new ATOM 0 HA VAL A 42 1.552 -2.589 2.734 1.00 0.00 H new ATOM 0 HB VAL A 42 0.054 -0.875 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.834 -2.358 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.224 -1.469 2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.807 -3.185 2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.320 -2.957 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.792 -3.817 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.400 -2.506 5.924 1.00 0.00 H new ATOM 588 N GLU A 43 1.914 -0.694 1.141 1.00 0.00 N ATOM 589 CA GLU A 43 1.833 0.306 0.090 1.00 0.00 C ATOM 590 C GLU A 43 0.418 0.881 0.012 1.00 0.00 C ATOM 591 O GLU A 43 0.203 2.054 0.313 1.00 0.00 O ATOM 592 CB GLU A 43 2.263 -0.279 -1.257 1.00 0.00 C ATOM 593 CG GLU A 43 2.774 0.818 -2.193 1.00 0.00 C ATOM 594 CD GLU A 43 1.872 2.053 -2.135 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.721 1.938 -2.607 1.00 0.00 O ATOM 596 OE2 GLU A 43 2.355 3.084 -1.619 1.00 0.00 O ATOM 0 H GLU A 43 2.486 -1.507 0.913 1.00 0.00 H new ATOM 0 HA GLU A 43 2.520 1.117 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.045 -1.023 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.421 -0.794 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.791 1.093 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.814 0.440 -3.215 1.00 0.00 H new ATOM 603 N GLU A 44 -0.512 0.028 -0.393 1.00 0.00 N ATOM 604 CA GLU A 44 -1.901 0.436 -0.514 1.00 0.00 C ATOM 605 C GLU A 44 -2.814 -0.791 -0.547 1.00 0.00 C ATOM 606 O GLU A 44 -2.535 -1.758 -1.253 1.00 0.00 O ATOM 607 CB GLU A 44 -2.110 1.308 -1.754 1.00 0.00 C ATOM 608 CG GLU A 44 -3.587 1.663 -1.932 1.00 0.00 C ATOM 609 CD GLU A 44 -3.852 3.118 -1.542 1.00 0.00 C ATOM 610 OE1 GLU A 44 -2.946 3.945 -1.783 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.955 3.372 -1.011 1.00 0.00 O ATOM 0 H GLU A 44 -0.330 -0.944 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.161 1.034 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.521 2.221 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.750 0.782 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.881 1.501 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.200 1.001 -1.320 1.00 0.00 H new ATOM 618 N VAL A 45 -3.886 -0.711 0.227 1.00 0.00 N ATOM 619 CA VAL A 45 -4.842 -1.804 0.296 1.00 0.00 C ATOM 620 C VAL A 45 -6.215 -1.304 -0.158 1.00 0.00 C ATOM 621 O VAL A 45 -6.859 -0.524 0.543 1.00 0.00 O ATOM 622 CB VAL A 45 -4.859 -2.396 1.707 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.159 -3.160 1.965 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.641 -3.293 1.939 1.00 0.00 C ATOM 0 H VAL A 45 -4.114 0.093 0.812 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.550 -2.610 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.808 -1.571 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.145 -3.571 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.006 -2.482 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.253 -3.972 1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.677 -3.701 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.648 -4.110 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.730 -2.708 1.816 1.00 0.00 H new ATOM 634 N ASP A 46 -6.623 -1.773 -1.328 1.00 0.00 N ATOM 635 CA ASP A 46 -7.907 -1.383 -1.884 1.00 0.00 C ATOM 636 C ASP A 46 -8.963 -1.400 -0.777 1.00 0.00 C ATOM 637 O ASP A 46 -9.243 -2.448 -0.197 1.00 0.00 O ATOM 638 CB ASP A 46 -8.353 -2.357 -2.977 1.00 0.00 C ATOM 639 CG ASP A 46 -9.297 -3.466 -2.509 1.00 0.00 C ATOM 640 OD1 ASP A 46 -8.863 -4.252 -1.640 1.00 0.00 O ATOM 641 OD2 ASP A 46 -10.433 -3.502 -3.031 1.00 0.00 O ATOM 0 H ASP A 46 -6.087 -2.420 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.801 -0.386 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.845 -1.791 -3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.468 -2.816 -3.417 1.00 0.00 H new ATOM 646 N GLU A 47 -9.521 -0.226 -0.518 1.00 0.00 N ATOM 647 CA GLU A 47 -10.540 -0.092 0.509 1.00 0.00 C ATOM 648 C GLU A 47 -11.823 -0.806 0.080 1.00 0.00 C ATOM 649 O GLU A 47 -12.665 -1.133 0.915 1.00 0.00 O ATOM 650 CB GLU A 47 -10.811 1.380 0.824 1.00 0.00 C ATOM 651 CG GLU A 47 -11.105 2.169 -0.453 1.00 0.00 C ATOM 652 CD GLU A 47 -11.789 3.499 -0.131 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.140 4.320 0.553 1.00 0.00 O ATOM 654 OE2 GLU A 47 -12.945 3.666 -0.576 1.00 0.00 O ATOM 0 H GLU A 47 -9.286 0.641 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.173 -0.563 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.656 1.460 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.949 1.812 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.176 2.355 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.742 1.578 -1.111 1.00 0.00 H new ATOM 661 N GLU A 48 -11.932 -1.028 -1.222 1.00 0.00 N ATOM 662 CA GLU A 48 -13.098 -1.698 -1.772 1.00 0.00 C ATOM 663 C GLU A 48 -13.027 -3.201 -1.496 1.00 0.00 C ATOM 664 O GLU A 48 -14.014 -3.915 -1.669 1.00 0.00 O ATOM 665 CB GLU A 48 -13.233 -1.421 -3.271 1.00 0.00 C ATOM 666 CG GLU A 48 -13.738 0.001 -3.523 1.00 0.00 C ATOM 667 CD GLU A 48 -15.071 -0.015 -4.272 1.00 0.00 C ATOM 668 OE1 GLU A 48 -15.100 -0.618 -5.367 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.032 0.575 -3.734 1.00 0.00 O ATOM 0 H GLU A 48 -11.232 -0.756 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.986 -1.301 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.268 -1.560 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.921 -2.139 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.857 0.522 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.999 0.556 -4.101 1.00 0.00 H new ATOM 676 N GLY A 49 -11.850 -3.637 -1.072 1.00 0.00 N ATOM 677 CA GLY A 49 -11.637 -5.042 -0.771 1.00 0.00 C ATOM 678 C GLY A 49 -11.556 -5.872 -2.054 1.00 0.00 C ATOM 679 O GLY A 49 -12.579 -6.302 -2.585 1.00 0.00 O ATOM 0 H GLY A 49 -11.034 -3.042 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.717 -5.159 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.450 -5.411 -0.146 1.00 0.00 H new ATOM 683 N LYS A 50 -10.331 -6.073 -2.514 1.00 0.00 N ATOM 684 CA LYS A 50 -10.103 -6.844 -3.725 1.00 0.00 C ATOM 685 C LYS A 50 -8.661 -7.356 -3.735 1.00 0.00 C ATOM 686 O LYS A 50 -8.425 -8.555 -3.868 1.00 0.00 O ATOM 687 CB LYS A 50 -10.473 -6.022 -4.961 1.00 0.00 C ATOM 688 CG LYS A 50 -11.988 -5.840 -5.066 1.00 0.00 C ATOM 689 CD LYS A 50 -12.402 -5.495 -6.498 1.00 0.00 C ATOM 690 CE LYS A 50 -12.813 -4.025 -6.610 1.00 0.00 C ATOM 691 NZ LYS A 50 -13.997 -3.885 -7.487 1.00 0.00 N ATOM 0 H LYS A 50 -9.485 -5.716 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.752 -7.719 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.989 -5.047 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.100 -6.518 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.490 -6.754 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.310 -5.048 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.575 -5.698 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.231 -6.133 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.037 -3.627 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.985 -3.439 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.264 -2.882 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.771 -4.246 -8.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.790 -4.428 -7.089 1.00 0.00 H new ATOM 705 N PHE A 51 -7.734 -6.420 -3.594 1.00 0.00 N ATOM 706 CA PHE A 51 -6.322 -6.761 -3.585 1.00 0.00 C ATOM 707 C PHE A 51 -5.572 -5.967 -2.513 1.00 0.00 C ATOM 708 O PHE A 51 -6.044 -4.923 -2.066 1.00 0.00 O ATOM 709 CB PHE A 51 -5.764 -6.391 -4.961 1.00 0.00 C ATOM 710 CG PHE A 51 -5.610 -4.885 -5.185 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.529 -4.230 -4.684 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.554 -4.202 -5.886 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.386 -2.832 -4.892 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.412 -2.805 -6.094 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.331 -2.149 -5.593 1.00 0.00 C ATOM 0 H PHE A 51 -7.933 -5.426 -3.485 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.197 -7.822 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.792 -6.868 -5.088 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.422 -6.797 -5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.779 -4.773 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.412 -4.723 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.527 -2.312 -4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.162 -2.263 -6.650 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.223 -1.086 -5.752 1.00 0.00 H new ATOM 725 N VAL A 52 -4.417 -6.492 -2.132 1.00 0.00 N ATOM 726 CA VAL A 52 -3.598 -5.845 -1.121 1.00 0.00 C ATOM 727 C VAL A 52 -2.196 -5.605 -1.685 1.00 0.00 C ATOM 728 O VAL A 52 -1.461 -6.553 -1.956 1.00 0.00 O ATOM 729 CB VAL A 52 -3.592 -6.680 0.160 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.481 -6.223 1.108 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.956 -6.633 0.852 1.00 0.00 C ATOM 0 H VAL A 52 -4.029 -7.358 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.014 -4.873 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.392 -7.715 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.499 -6.833 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.515 -6.332 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.637 -5.177 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.924 -7.235 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.198 -5.602 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.718 -7.029 0.181 1.00 0.00 H new ATOM 741 N ARG A 53 -1.867 -4.331 -1.844 1.00 0.00 N ATOM 742 CA ARG A 53 -0.566 -3.954 -2.369 1.00 0.00 C ATOM 743 C ARG A 53 0.402 -3.651 -1.224 1.00 0.00 C ATOM 744 O ARG A 53 0.113 -2.818 -0.366 1.00 0.00 O ATOM 745 CB ARG A 53 -0.674 -2.726 -3.276 1.00 0.00 C ATOM 746 CG ARG A 53 -0.271 -3.067 -4.712 1.00 0.00 C ATOM 747 CD ARG A 53 0.464 -1.897 -5.368 1.00 0.00 C ATOM 748 NE ARG A 53 0.003 -1.729 -6.764 1.00 0.00 N ATOM 749 CZ ARG A 53 0.592 -0.922 -7.658 1.00 0.00 C ATOM 750 NH1 ARG A 53 1.668 -0.205 -7.306 1.00 0.00 N ATOM 751 NH2 ARG A 53 0.105 -0.832 -8.903 1.00 0.00 N ATOM 0 H ARG A 53 -2.479 -3.547 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.189 -4.793 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.696 -2.348 -3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.034 -1.930 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.368 -3.950 -4.714 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.159 -3.315 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.284 -0.982 -4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.539 -2.076 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.814 -2.260 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.039 -0.273 -6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.116 0.409 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.714 -1.378 -9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.553 -0.218 -9.583 1.00 0.00 H new ATOM 765 N LEU A 54 1.531 -4.344 -1.247 1.00 0.00 N ATOM 766 CA LEU A 54 2.543 -4.159 -0.221 1.00 0.00 C ATOM 767 C LEU A 54 3.869 -3.776 -0.882 1.00 0.00 C ATOM 768 O LEU A 54 4.286 -4.404 -1.854 1.00 0.00 O ATOM 769 CB LEU A 54 2.636 -5.400 0.669 1.00 0.00 C ATOM 770 CG LEU A 54 1.305 -6.032 1.080 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.501 -7.482 1.527 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.606 -5.191 2.150 1.00 0.00 C ATOM 0 H LEU A 54 1.767 -5.034 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 54 2.268 -3.339 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.227 -6.153 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.184 -5.134 1.573 1.00 0.00 H new ATOM 0 HG LEU A 54 0.652 -6.050 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.539 -7.907 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.924 -8.062 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.179 -7.511 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.338 -5.662 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.245 -5.118 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.412 -4.192 1.759 1.00 0.00 H new ATOM 784 N ARG A 55 4.494 -2.747 -0.329 1.00 0.00 N ATOM 785 CA ARG A 55 5.764 -2.273 -0.852 1.00 0.00 C ATOM 786 C ARG A 55 6.825 -2.271 0.250 1.00 0.00 C ATOM 787 O ARG A 55 6.510 -2.057 1.420 1.00 0.00 O ATOM 788 CB ARG A 55 5.630 -0.860 -1.425 1.00 0.00 C ATOM 789 CG ARG A 55 7.002 -0.277 -1.770 1.00 0.00 C ATOM 790 CD ARG A 55 6.888 0.773 -2.877 1.00 0.00 C ATOM 791 NE ARG A 55 6.379 2.045 -2.317 1.00 0.00 N ATOM 792 CZ ARG A 55 6.503 3.234 -2.922 1.00 0.00 C ATOM 793 NH1 ARG A 55 7.120 3.322 -4.108 1.00 0.00 N ATOM 794 NH2 ARG A 55 6.010 4.336 -2.339 1.00 0.00 N ATOM 0 H ARG A 55 4.144 -2.228 0.476 1.00 0.00 H new ATOM 0 HA ARG A 55 6.067 -2.950 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.006 -0.883 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.128 -0.216 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.444 0.173 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.671 -1.076 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.862 0.933 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.218 0.417 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 55 5.904 2.015 -1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.496 2.483 -4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.214 4.228 -4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.541 4.269 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.104 5.242 -2.799 1.00 0.00 H new ATOM 808 N ASN A 56 8.061 -2.512 -0.162 1.00 0.00 N ATOM 809 CA ASN A 56 9.170 -2.541 0.776 1.00 0.00 C ATOM 810 C ASN A 56 9.844 -1.167 0.804 1.00 0.00 C ATOM 811 O ASN A 56 10.156 -0.603 -0.244 1.00 0.00 O ATOM 812 CB ASN A 56 10.219 -3.573 0.357 1.00 0.00 C ATOM 813 CG ASN A 56 11.129 -3.938 1.532 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.092 -3.332 2.591 1.00 0.00 O ATOM 815 ND2 ASN A 56 11.945 -4.959 1.287 1.00 0.00 N ATOM 0 H ASN A 56 8.319 -2.689 -1.133 1.00 0.00 H new ATOM 0 HA ASN A 56 8.775 -2.806 1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.724 -4.469 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.818 -3.176 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.592 -5.279 2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.924 -5.422 0.378 1.00 0.00 H new ATOM 822 N LYS A 57 10.049 -0.669 2.015 1.00 0.00 N ATOM 823 CA LYS A 57 10.680 0.628 2.193 1.00 0.00 C ATOM 824 C LYS A 57 12.171 0.430 2.475 1.00 0.00 C ATOM 825 O LYS A 57 12.990 1.278 2.125 1.00 0.00 O ATOM 826 CB LYS A 57 9.953 1.434 3.271 1.00 0.00 C ATOM 827 CG LYS A 57 8.459 1.546 2.957 1.00 0.00 C ATOM 828 CD LYS A 57 8.194 2.659 1.941 1.00 0.00 C ATOM 829 CE LYS A 57 7.963 2.082 0.543 1.00 0.00 C ATOM 830 NZ LYS A 57 8.215 3.111 -0.490 1.00 0.00 N ATOM 0 H LYS A 57 9.789 -1.140 2.882 1.00 0.00 H new ATOM 0 HA LYS A 57 10.603 1.218 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.090 0.957 4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.389 2.430 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.094 0.597 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.905 1.746 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.322 3.237 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.040 3.346 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.621 1.228 0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.940 1.716 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.355 2.650 -1.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.400 3.755 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.067 3.652 -0.240 1.00 0.00 H new ATOM 844 N SER A 58 12.478 -0.695 3.104 1.00 0.00 N ATOM 845 CA SER A 58 13.855 -1.015 3.437 1.00 0.00 C ATOM 846 C SER A 58 14.691 -1.119 2.160 1.00 0.00 C ATOM 847 O SER A 58 14.160 -1.397 1.086 1.00 0.00 O ATOM 848 CB SER A 58 13.941 -2.318 4.234 1.00 0.00 C ATOM 849 OG SER A 58 13.428 -3.427 3.502 1.00 0.00 O ATOM 0 H SER A 58 11.796 -1.397 3.392 1.00 0.00 H new ATOM 0 HA SER A 58 14.251 -0.213 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.980 -2.510 4.503 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.385 -2.210 5.166 1.00 0.00 H new ATOM 0 HG SER A 58 12.449 -3.388 3.493 1.00 0.00 H new ATOM 855 N ASN A 59 15.987 -0.888 2.318 1.00 0.00 N ATOM 856 CA ASN A 59 16.901 -0.952 1.191 1.00 0.00 C ATOM 857 C ASN A 59 17.404 -2.388 1.029 1.00 0.00 C ATOM 858 O ASN A 59 17.959 -2.741 -0.011 1.00 0.00 O ATOM 859 CB ASN A 59 18.116 -0.049 1.415 1.00 0.00 C ATOM 860 CG ASN A 59 19.216 -0.345 0.394 1.00 0.00 C ATOM 861 OD1 ASN A 59 20.032 -1.333 0.750 1.00 0.00 O flip ATOM 862 ND2 ASN A 59 19.317 0.282 -0.648 1.00 0.00 N flip ATOM 0 H ASN A 59 16.425 -0.656 3.210 1.00 0.00 H new ATOM 0 HA ASN A 59 16.364 -0.621 0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 59 17.816 0.996 1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.502 -0.197 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.656 1.029 -0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.062 0.059 -1.307 1.00 0.00 H new ATOM 869 N GLU A 60 17.192 -3.177 2.072 1.00 0.00 N ATOM 870 CA GLU A 60 17.617 -4.566 2.058 1.00 0.00 C ATOM 871 C GLU A 60 16.453 -5.473 1.653 1.00 0.00 C ATOM 872 O GLU A 60 15.295 -5.164 1.930 1.00 0.00 O ATOM 873 CB GLU A 60 18.188 -4.979 3.416 1.00 0.00 C ATOM 874 CG GLU A 60 17.081 -5.081 4.467 1.00 0.00 C ATOM 875 CD GLU A 60 17.501 -5.998 5.618 1.00 0.00 C ATOM 876 OE1 GLU A 60 17.866 -7.155 5.318 1.00 0.00 O ATOM 877 OE2 GLU A 60 17.447 -5.521 6.772 1.00 0.00 O ATOM 0 H GLU A 60 16.731 -2.881 2.932 1.00 0.00 H new ATOM 0 HA GLU A 60 18.411 -4.675 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.697 -5.939 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.934 -4.252 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.849 -4.089 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.171 -5.464 4.006 1.00 0.00 H new ATOM 884 N ASP A 61 16.801 -6.576 1.005 1.00 0.00 N ATOM 885 CA ASP A 61 15.799 -7.530 0.560 1.00 0.00 C ATOM 886 C ASP A 61 15.091 -8.125 1.779 1.00 0.00 C ATOM 887 O ASP A 61 15.737 -8.675 2.669 1.00 0.00 O ATOM 888 CB ASP A 61 16.441 -8.678 -0.221 1.00 0.00 C ATOM 889 CG ASP A 61 17.372 -8.246 -1.356 1.00 0.00 C ATOM 890 OD1 ASP A 61 17.580 -7.021 -1.485 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.856 -9.153 -2.068 1.00 0.00 O ATOM 0 H ASP A 61 17.762 -6.830 0.778 1.00 0.00 H new ATOM 0 HA ASP A 61 15.095 -7.004 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.005 -9.300 0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.650 -9.302 -0.637 1.00 0.00 H new ATOM 896 N GLN A 62 13.773 -7.994 1.780 1.00 0.00 N ATOM 897 CA GLN A 62 12.970 -8.512 2.874 1.00 0.00 C ATOM 898 C GLN A 62 12.330 -9.845 2.479 1.00 0.00 C ATOM 899 O GLN A 62 11.542 -9.904 1.536 1.00 0.00 O ATOM 900 CB GLN A 62 11.906 -7.499 3.301 1.00 0.00 C ATOM 901 CG GLN A 62 11.105 -8.017 4.498 1.00 0.00 C ATOM 902 CD GLN A 62 11.985 -8.112 5.746 1.00 0.00 C ATOM 903 OE1 GLN A 62 12.280 -7.129 6.406 1.00 0.00 O ATOM 904 NE2 GLN A 62 12.386 -9.348 6.032 1.00 0.00 N ATOM 0 H GLN A 62 13.241 -7.536 1.040 1.00 0.00 H new ATOM 0 HA GLN A 62 13.624 -8.684 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.382 -6.553 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.233 -7.300 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.263 -7.352 4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.690 -8.998 4.266 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.102 -10.127 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.977 -9.517 6.846 1.00 0.00 H new ATOM 913 N SER A 63 12.694 -10.882 3.220 1.00 0.00 N ATOM 914 CA SER A 63 12.166 -12.210 2.958 1.00 0.00 C ATOM 915 C SER A 63 10.767 -12.345 3.562 1.00 0.00 C ATOM 916 O SER A 63 10.509 -11.849 4.658 1.00 0.00 O ATOM 917 CB SER A 63 13.092 -13.291 3.518 1.00 0.00 C ATOM 918 OG SER A 63 12.949 -14.528 2.826 1.00 0.00 O ATOM 0 H SER A 63 13.348 -10.829 4.001 1.00 0.00 H new ATOM 0 HA SER A 63 12.104 -12.347 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.126 -12.954 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.876 -13.441 4.576 1.00 0.00 H new ATOM 0 HG SER A 63 12.916 -14.361 1.861 1.00 0.00 H new ATOM 924 N MET A 64 9.899 -13.019 2.821 1.00 0.00 N ATOM 925 CA MET A 64 8.533 -13.225 3.270 1.00 0.00 C ATOM 926 C MET A 64 8.162 -14.709 3.235 1.00 0.00 C ATOM 927 O MET A 64 6.998 -15.058 3.044 1.00 0.00 O ATOM 928 CB MET A 64 7.576 -12.439 2.372 1.00 0.00 C ATOM 929 CG MET A 64 8.047 -10.993 2.202 1.00 0.00 C ATOM 930 SD MET A 64 6.808 -10.045 1.334 1.00 0.00 S ATOM 931 CE MET A 64 5.571 -9.907 2.614 1.00 0.00 C ATOM 0 H MET A 64 10.116 -13.429 1.913 1.00 0.00 H new ATOM 0 HA MET A 64 8.452 -12.873 4.299 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.509 -12.921 1.396 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.575 -12.451 2.803 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.240 -10.548 3.178 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.987 -10.970 1.650 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.594 -9.740 2.160 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.547 -10.827 3.197 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.815 -9.069 3.267 1.00 0.00 H new ATOM 941 N GLY A 65 9.174 -15.543 3.423 1.00 0.00 N ATOM 942 CA GLY A 65 8.970 -16.982 3.415 1.00 0.00 C ATOM 943 C GLY A 65 8.299 -17.447 4.710 1.00 0.00 C ATOM 944 O GLY A 65 8.818 -18.321 5.402 1.00 0.00 O ATOM 0 H GLY A 65 10.138 -15.250 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.353 -17.261 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.928 -17.488 3.295 1.00 0.00 H new ATOM 948 N ASN A 66 7.156 -16.842 4.997 1.00 0.00 N ATOM 949 CA ASN A 66 6.409 -17.184 6.196 1.00 0.00 C ATOM 950 C ASN A 66 5.528 -15.999 6.597 1.00 0.00 C ATOM 951 O ASN A 66 4.513 -16.176 7.269 1.00 0.00 O ATOM 952 CB ASN A 66 7.351 -17.489 7.363 1.00 0.00 C ATOM 953 CG ASN A 66 7.351 -18.984 7.690 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.277 -19.771 6.621 1.00 0.00 O flip ATOM 955 ND2 ASN A 66 7.416 -19.394 8.837 1.00 0.00 N flip ATOM 0 H ASN A 66 6.729 -16.117 4.420 1.00 0.00 H new ATOM 0 HA ASN A 66 5.806 -18.066 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.362 -17.168 7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.044 -16.921 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.471 -18.734 9.612 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.416 -20.397 9.021 1.00 0.00 H new ATOM 962 N TRP A 67 5.948 -14.818 6.168 1.00 0.00 N ATOM 963 CA TRP A 67 5.209 -13.605 6.474 1.00 0.00 C ATOM 964 C TRP A 67 3.722 -13.888 6.252 1.00 0.00 C ATOM 965 O TRP A 67 3.363 -14.868 5.600 1.00 0.00 O ATOM 966 CB TRP A 67 5.723 -12.426 5.645 1.00 0.00 C ATOM 967 CG TRP A 67 7.042 -11.838 6.149 1.00 0.00 C ATOM 968 CD1 TRP A 67 8.110 -12.495 6.623 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.392 -10.439 6.212 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.119 -11.625 6.985 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.668 -10.335 6.727 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.654 -9.300 5.845 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.318 -9.111 6.922 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.318 -8.084 6.047 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.603 -7.962 6.564 1.00 0.00 C ATOM 0 H TRP A 67 6.791 -14.675 5.611 1.00 0.00 H new ATOM 0 HA TRP A 67 5.357 -13.316 7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.853 -12.751 4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.966 -11.642 5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.173 -13.570 6.711 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.028 -11.881 7.371 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.655 -9.358 5.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.318 -9.056 7.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.795 -7.177 5.783 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.047 -6.986 6.689 1.00 0.00 H new ATOM 986 N GLN A 68 2.896 -13.013 6.808 1.00 0.00 N ATOM 987 CA GLN A 68 1.456 -13.157 6.679 1.00 0.00 C ATOM 988 C GLN A 68 0.794 -11.783 6.563 1.00 0.00 C ATOM 989 O GLN A 68 1.435 -10.759 6.794 1.00 0.00 O ATOM 990 CB GLN A 68 0.877 -13.948 7.854 1.00 0.00 C ATOM 991 CG GLN A 68 1.883 -14.978 8.371 1.00 0.00 C ATOM 992 CD GLN A 68 1.402 -15.605 9.681 1.00 0.00 C ATOM 993 OE1 GLN A 68 0.223 -15.617 9.997 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.376 -16.124 10.422 1.00 0.00 N ATOM 0 H GLN A 68 3.197 -12.202 7.349 1.00 0.00 H new ATOM 0 HA GLN A 68 1.246 -13.718 5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.605 -13.264 8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.037 -14.453 7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.028 -15.757 7.623 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.851 -14.501 8.526 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.342 -16.080 10.098 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.157 -16.566 11.315 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.482 -11.805 6.204 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.238 -10.573 6.054 1.00 0.00 C ATOM 1005 C ILE A 69 -2.569 -10.703 6.798 1.00 0.00 C ATOM 1006 O ILE A 69 -3.357 -11.604 6.515 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.393 -10.216 4.575 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.110 -10.522 3.800 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.832 -8.760 4.405 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.316 -10.322 2.297 1.00 0.00 C ATOM 0 H ILE A 69 -1.011 -12.656 6.013 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.700 -9.739 6.505 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.181 -10.841 4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.694 -9.874 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.201 -11.549 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.935 -8.532 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.790 -8.608 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.085 -8.101 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.611 -10.546 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.104 -10.989 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.603 -9.288 2.103 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.778 -9.790 7.735 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.000 -9.792 8.522 1.00 0.00 C ATOM 1024 C ARG A 70 -5.023 -8.829 7.915 1.00 0.00 C ATOM 1025 O ARG A 70 -4.658 -7.774 7.400 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.723 -9.384 9.970 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.057 -10.524 10.743 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.487 -10.516 12.211 1.00 0.00 C ATOM 1029 NE ARG A 70 -4.638 -11.426 12.406 1.00 0.00 N ATOM 1030 CZ ARG A 70 -4.524 -12.731 12.689 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.311 -13.286 12.812 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -5.623 -13.480 12.850 1.00 0.00 N ATOM 0 H ARG A 70 -2.122 -9.044 7.967 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.399 -10.806 8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.080 -8.504 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.657 -9.106 10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.321 -11.479 10.288 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.973 -10.428 10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.656 -10.827 12.844 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.757 -9.504 12.514 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.576 -11.036 12.320 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.474 -12.715 12.690 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.224 -14.279 13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.547 -13.057 12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.536 -14.473 13.065 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.284 -9.228 7.996 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.362 -8.415 7.461 1.00 0.00 C ATOM 1048 C ARG A 71 -8.637 -8.615 8.284 1.00 0.00 C ATOM 1049 O ARG A 71 -9.345 -9.605 8.107 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.646 -8.768 6.000 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.972 -8.161 5.537 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.933 -6.633 5.616 1.00 0.00 C ATOM 1053 NE ARG A 71 -8.871 -6.057 4.254 1.00 0.00 N ATOM 1054 CZ ARG A 71 -8.938 -4.745 3.990 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -9.069 -3.866 4.992 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -8.873 -4.313 2.723 1.00 0.00 N ATOM 0 H ARG A 71 -6.583 -10.104 8.424 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.049 -7.372 7.517 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.835 -8.403 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.677 -9.851 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.180 -8.471 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.785 -8.540 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.818 -6.265 6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.067 -6.313 6.195 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.771 -6.699 3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.118 -4.195 5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.120 -2.867 4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.773 -4.983 1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.924 -3.314 2.521 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.889 -7.659 9.166 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.066 -7.718 10.017 1.00 0.00 C ATOM 1072 C GLN A 72 -10.984 -6.527 9.736 1.00 0.00 C ATOM 1073 O GLN A 72 -10.547 -5.378 9.778 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.672 -7.770 11.494 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.876 -8.122 12.370 1.00 0.00 C ATOM 1076 CD GLN A 72 -11.717 -6.880 12.671 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -11.208 -5.792 12.888 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -13.028 -7.101 12.673 1.00 0.00 N ATOM 0 H GLN A 72 -8.299 -6.840 9.310 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.611 -8.634 9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.884 -8.509 11.638 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.265 -6.806 11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.491 -8.868 11.867 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.533 -8.568 13.303 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.388 -8.036 12.483 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.674 -6.335 12.864 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.240 -6.842 9.456 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.224 -5.812 9.168 1.00 0.00 C ATOM 1089 C ASN A 73 -14.365 -5.905 10.182 1.00 0.00 C ATOM 1090 O ASN A 73 -14.710 -6.996 10.636 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.818 -5.993 7.770 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.743 -5.832 6.693 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -11.752 -5.143 6.866 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.994 -6.506 5.574 1.00 0.00 N ATOM 0 H ASN A 73 -12.599 -7.796 9.422 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.726 -4.844 9.225 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.274 -6.980 7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.611 -5.262 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.337 -6.464 4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.844 -7.065 5.495 1.00 0.00 H new ATOM 1146 N LEU A 78 -12.101 -12.317 11.148 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.724 -11.906 10.930 1.00 0.00 C ATOM 1148 C LEU A 78 -9.987 -12.999 10.154 1.00 0.00 C ATOM 1149 O LEU A 78 -10.066 -14.175 10.506 1.00 0.00 O ATOM 1150 CB LEU A 78 -10.058 -11.537 12.257 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.532 -11.633 12.290 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -7.899 -10.663 11.291 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -8.000 -11.421 13.709 1.00 0.00 C ATOM 0 HA LEU A 78 -10.688 -11.003 10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.344 -10.517 12.513 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.460 -12.185 13.035 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.247 -12.640 11.985 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.814 -10.752 11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.242 -10.902 10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.190 -9.643 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.912 -11.494 13.705 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.296 -10.434 14.065 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.412 -12.183 14.370 1.00 0.00 H new ATOM 1165 N MET A 79 -9.287 -12.572 9.113 1.00 0.00 N ATOM 1166 CA MET A 79 -8.536 -13.500 8.285 1.00 0.00 C ATOM 1167 C MET A 79 -7.041 -13.173 8.312 1.00 0.00 C ATOM 1168 O MET A 79 -6.653 -12.053 8.641 1.00 0.00 O ATOM 1169 CB MET A 79 -9.048 -13.430 6.846 1.00 0.00 C ATOM 1170 CG MET A 79 -8.623 -12.122 6.175 1.00 0.00 C ATOM 1171 SD MET A 79 -10.060 -11.246 5.580 1.00 0.00 S ATOM 1172 CE MET A 79 -10.450 -12.231 4.143 1.00 0.00 C ATOM 0 H MET A 79 -9.224 -11.596 8.824 1.00 0.00 H new ATOM 0 HA MET A 79 -8.676 -14.506 8.681 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.662 -14.276 6.278 1.00 0.00 H new ATOM 0 HB3 MET A 79 -10.135 -13.510 6.839 1.00 0.00 H new ATOM 0 HG2 MET A 79 -8.076 -11.501 6.884 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.946 -12.332 5.347 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.498 -12.089 3.878 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.820 -11.923 3.309 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.271 -13.283 4.364 1.00 0.00 H new ATOM 1182 N THR A 80 -6.243 -14.171 7.961 1.00 0.00 N ATOM 1183 CA THR A 80 -4.800 -14.003 7.940 1.00 0.00 C ATOM 1184 C THR A 80 -4.184 -14.826 6.807 1.00 0.00 C ATOM 1185 O THR A 80 -4.094 -16.049 6.901 1.00 0.00 O ATOM 1186 CB THR A 80 -4.261 -14.374 9.323 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.757 -13.346 10.176 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.741 -14.234 9.416 1.00 0.00 C ATOM 0 H THR A 80 -6.569 -15.099 7.689 1.00 0.00 H new ATOM 0 HA THR A 80 -4.525 -12.968 7.735 1.00 0.00 H new ATOM 0 HB THR A 80 -4.546 -15.399 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.681 -13.549 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.411 -14.509 10.418 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.270 -14.891 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.458 -13.202 9.212 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.775 -14.122 5.762 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.169 -14.772 4.612 1.00 0.00 C ATOM 1198 C TYR A 81 -1.660 -14.930 4.803 1.00 0.00 C ATOM 1199 O TYR A 81 -0.923 -13.944 4.801 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.426 -13.846 3.421 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.787 -14.322 2.115 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -3.212 -15.495 1.525 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -1.785 -13.577 1.526 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -2.611 -15.942 0.296 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -1.184 -14.025 0.296 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.626 -15.185 -0.258 1.00 0.00 C ATOM 1207 OH TYR A 81 -1.058 -15.607 -1.419 1.00 0.00 O ATOM 0 H TYR A 81 -3.851 -13.108 5.687 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.590 -15.767 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.502 -13.750 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.047 -12.852 3.658 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.996 -16.078 1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.452 -12.659 1.987 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.935 -16.858 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.399 -13.452 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.371 -14.967 -1.698 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.243 -16.177 4.965 1.00 0.00 N ATOM 1218 CA ARG A 82 0.165 -16.477 5.157 1.00 0.00 C ATOM 1219 C ARG A 82 0.857 -16.667 3.806 1.00 0.00 C ATOM 1220 O ARG A 82 0.483 -17.546 3.031 1.00 0.00 O ATOM 1221 CB ARG A 82 0.349 -17.741 5.999 1.00 0.00 C ATOM 1222 CG ARG A 82 1.822 -17.954 6.354 1.00 0.00 C ATOM 1223 CD ARG A 82 1.985 -18.295 7.837 1.00 0.00 C ATOM 1224 NE ARG A 82 2.075 -19.761 8.013 1.00 0.00 N ATOM 1225 CZ ARG A 82 3.154 -20.491 7.699 1.00 0.00 C ATOM 1226 NH1 ARG A 82 4.242 -19.894 7.191 1.00 0.00 N ATOM 1227 NH2 ARG A 82 3.146 -21.817 7.892 1.00 0.00 N ATOM 0 H ARG A 82 -1.856 -16.992 4.967 1.00 0.00 H new ATOM 0 HA ARG A 82 0.614 -15.635 5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.241 -17.663 6.912 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.025 -18.605 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.234 -18.759 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.390 -17.054 6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.882 -17.817 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.140 -17.904 8.403 1.00 0.00 H new ATOM 0 HE ARG A 82 1.265 -20.247 8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.248 -18.885 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.064 -20.449 6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.318 -22.271 8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.968 -22.372 7.653 1.00 0.00 H new ATOM 1241 N PHE A 83 1.854 -15.828 3.564 1.00 0.00 N ATOM 1242 CA PHE A 83 2.601 -15.893 2.320 1.00 0.00 C ATOM 1243 C PHE A 83 3.349 -17.222 2.198 1.00 0.00 C ATOM 1244 O PHE A 83 3.477 -17.958 3.174 1.00 0.00 O ATOM 1245 CB PHE A 83 3.618 -14.750 2.349 1.00 0.00 C ATOM 1246 CG PHE A 83 3.073 -13.419 1.827 1.00 0.00 C ATOM 1247 CD1 PHE A 83 2.824 -13.259 0.500 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.837 -12.395 2.691 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.318 -12.024 0.015 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.331 -11.160 2.207 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.082 -11.000 0.879 1.00 0.00 C ATOM 0 H PHE A 83 2.161 -15.100 4.209 1.00 0.00 H new ATOM 0 HA PHE A 83 1.920 -15.811 1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.965 -14.612 3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.486 -15.034 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.011 -14.072 -0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.035 -12.522 3.745 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.121 -11.898 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.144 -10.347 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.697 -10.060 0.511 1.00 0.00 H new ATOM 1261 N PRO A 84 3.837 -17.495 0.958 1.00 0.00 N ATOM 1262 CA PRO A 84 4.568 -18.723 0.695 1.00 0.00 C ATOM 1263 C PRO A 84 5.983 -18.652 1.274 1.00 0.00 C ATOM 1264 O PRO A 84 6.584 -17.580 1.325 1.00 0.00 O ATOM 1265 CB PRO A 84 4.552 -18.875 -0.817 1.00 0.00 C ATOM 1266 CG PRO A 84 4.220 -17.498 -1.371 1.00 0.00 C ATOM 1267 CD PRO A 84 3.704 -16.646 -0.222 1.00 0.00 C ATOM 0 HA PRO A 84 4.117 -19.592 1.173 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.518 -19.222 -1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.810 -19.610 -1.128 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.104 -17.043 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.469 -17.574 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.284 -15.729 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.667 -16.351 -0.383 1.00 0.00 H new ATOM 1275 N PRO A 85 6.488 -19.839 1.706 1.00 0.00 N ATOM 1276 CA PRO A 85 7.820 -19.921 2.279 1.00 0.00 C ATOM 1277 C PRO A 85 8.892 -19.822 1.191 1.00 0.00 C ATOM 1278 O PRO A 85 10.055 -20.145 1.429 1.00 0.00 O ATOM 1279 CB PRO A 85 7.848 -21.247 3.021 1.00 0.00 C ATOM 1280 CG PRO A 85 6.700 -22.067 2.453 1.00 0.00 C ATOM 1281 CD PRO A 85 5.805 -21.128 1.661 1.00 0.00 C ATOM 0 HA PRO A 85 8.038 -19.096 2.957 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.801 -21.756 2.876 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.727 -21.097 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.080 -22.863 1.813 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.138 -22.544 3.256 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.678 -21.473 0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.810 -21.064 2.101 1.00 0.00 H new ATOM 1289 N LYS A 86 8.462 -19.374 0.020 1.00 0.00 N ATOM 1290 CA LYS A 86 9.370 -19.229 -1.105 1.00 0.00 C ATOM 1291 C LYS A 86 9.138 -17.870 -1.769 1.00 0.00 C ATOM 1292 O LYS A 86 9.128 -17.768 -2.994 1.00 0.00 O ATOM 1293 CB LYS A 86 9.229 -20.413 -2.063 1.00 0.00 C ATOM 1294 CG LYS A 86 9.651 -21.719 -1.386 1.00 0.00 C ATOM 1295 CD LYS A 86 8.472 -22.363 -0.654 1.00 0.00 C ATOM 1296 CE LYS A 86 7.894 -23.526 -1.463 1.00 0.00 C ATOM 1297 NZ LYS A 86 6.970 -24.328 -0.630 1.00 0.00 N ATOM 0 H LYS A 86 7.497 -19.107 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 86 10.405 -19.246 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.195 -20.491 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.841 -20.244 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.041 -22.410 -2.133 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.458 -21.523 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.797 -22.721 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.697 -21.617 -0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.366 -23.142 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.702 -24.158 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.587 -25.113 -1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.484 -24.709 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.189 -23.726 -0.299 1.00 0.00 H new ATOM 1311 N PHE A 87 8.958 -16.860 -0.930 1.00 0.00 N ATOM 1312 CA PHE A 87 8.727 -15.512 -1.420 1.00 0.00 C ATOM 1313 C PHE A 87 9.674 -14.515 -0.749 1.00 0.00 C ATOM 1314 O PHE A 87 9.867 -14.558 0.465 1.00 0.00 O ATOM 1315 CB PHE A 87 7.285 -15.147 -1.064 1.00 0.00 C ATOM 1316 CG PHE A 87 6.696 -14.027 -1.923 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.379 -14.263 -3.224 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.490 -12.794 -1.386 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.832 -13.223 -4.022 1.00 0.00 C ATOM 1320 CE2 PHE A 87 5.943 -11.755 -2.184 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.626 -11.991 -3.485 1.00 0.00 C ATOM 0 H PHE A 87 8.968 -16.949 0.086 1.00 0.00 H new ATOM 0 HA PHE A 87 8.903 -15.472 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.661 -16.035 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.245 -14.847 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.543 -15.241 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.743 -12.606 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.580 -13.411 -5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.779 -10.777 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.211 -11.200 -4.092 1.00 0.00 H new ATOM 1331 N THR A 88 10.240 -13.641 -1.568 1.00 0.00 N ATOM 1332 CA THR A 88 11.161 -12.635 -1.069 1.00 0.00 C ATOM 1333 C THR A 88 10.859 -11.275 -1.700 1.00 0.00 C ATOM 1334 O THR A 88 11.036 -11.092 -2.904 1.00 0.00 O ATOM 1335 CB THR A 88 12.586 -13.125 -1.335 1.00 0.00 C ATOM 1336 OG1 THR A 88 12.844 -14.036 -0.269 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.630 -12.023 -1.144 1.00 0.00 C ATOM 0 H THR A 88 10.078 -13.609 -2.575 1.00 0.00 H new ATOM 0 HA THR A 88 11.046 -12.492 0.005 1.00 0.00 H new ATOM 0 HB THR A 88 12.652 -13.515 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.748 -14.403 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.623 -12.424 -1.345 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.424 -11.203 -1.832 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.588 -11.656 -0.119 1.00 0.00 H new ATOM 1345 N LEU A 89 10.408 -10.355 -0.860 1.00 0.00 N ATOM 1346 CA LEU A 89 10.080 -9.017 -1.321 1.00 0.00 C ATOM 1347 C LEU A 89 11.337 -8.146 -1.282 1.00 0.00 C ATOM 1348 O LEU A 89 11.694 -7.611 -0.233 1.00 0.00 O ATOM 1349 CB LEU A 89 8.911 -8.445 -0.516 1.00 0.00 C ATOM 1350 CG LEU A 89 8.556 -6.983 -0.796 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.892 -6.832 -2.166 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.691 -6.405 0.326 1.00 0.00 C ATOM 0 H LEU A 89 10.262 -10.510 0.138 1.00 0.00 H new ATOM 0 HA LEU A 89 9.742 -9.043 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.029 -9.056 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.142 -8.545 0.544 1.00 0.00 H new ATOM 0 HG LEU A 89 9.480 -6.406 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.650 -5.783 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.574 -7.180 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.978 -7.425 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.453 -5.365 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.768 -6.979 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.235 -6.458 1.269 1.00 0.00 H new ATOM 1364 N LYS A 90 11.975 -8.031 -2.438 1.00 0.00 N ATOM 1365 CA LYS A 90 13.185 -7.234 -2.549 1.00 0.00 C ATOM 1366 C LYS A 90 12.932 -5.845 -1.959 1.00 0.00 C ATOM 1367 O LYS A 90 11.787 -5.473 -1.705 1.00 0.00 O ATOM 1368 CB LYS A 90 13.676 -7.206 -3.997 1.00 0.00 C ATOM 1369 CG LYS A 90 14.205 -8.577 -4.423 1.00 0.00 C ATOM 1370 CD LYS A 90 15.455 -8.436 -5.295 1.00 0.00 C ATOM 1371 CE LYS A 90 16.636 -7.906 -4.480 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.454 -6.980 -5.293 1.00 0.00 N ATOM 0 H LYS A 90 11.677 -8.476 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 90 13.992 -7.684 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.861 -6.906 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.463 -6.459 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.439 -9.171 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.432 -9.114 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.712 -9.403 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.249 -7.760 -6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.270 -7.392 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.251 -8.738 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.251 -6.630 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.819 -7.481 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.868 -6.177 -5.599 1.00 0.00 H new ATOM 1386 N ALA A 91 14.019 -5.116 -1.756 1.00 0.00 N ATOM 1387 CA ALA A 91 13.930 -3.777 -1.200 1.00 0.00 C ATOM 1388 C ALA A 91 13.491 -2.803 -2.296 1.00 0.00 C ATOM 1389 O ALA A 91 13.988 -2.861 -3.419 1.00 0.00 O ATOM 1390 CB ALA A 91 15.274 -3.390 -0.581 1.00 0.00 C ATOM 0 H ALA A 91 14.967 -5.428 -1.967 1.00 0.00 H new ATOM 0 HA ALA A 91 13.183 -3.740 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.207 -2.385 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.526 -4.095 0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.048 -3.413 -1.348 1.00 0.00 H new ATOM 1396 N GLY A 92 12.563 -1.930 -1.930 1.00 0.00 N ATOM 1397 CA GLY A 92 12.052 -0.945 -2.868 1.00 0.00 C ATOM 1398 C GLY A 92 11.081 -1.586 -3.862 1.00 0.00 C ATOM 1399 O GLY A 92 10.581 -0.919 -4.766 1.00 0.00 O ATOM 0 H GLY A 92 12.152 -1.885 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.547 -0.147 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.881 -0.487 -3.408 1.00 0.00 H new ATOM 1403 N GLN A 93 10.843 -2.874 -3.661 1.00 0.00 N ATOM 1404 CA GLN A 93 9.942 -3.613 -4.528 1.00 0.00 C ATOM 1405 C GLN A 93 8.507 -3.521 -4.004 1.00 0.00 C ATOM 1406 O GLN A 93 8.276 -3.028 -2.900 1.00 0.00 O ATOM 1407 CB GLN A 93 10.383 -5.072 -4.662 1.00 0.00 C ATOM 1408 CG GLN A 93 11.064 -5.316 -6.010 1.00 0.00 C ATOM 1409 CD GLN A 93 12.250 -4.370 -6.205 1.00 0.00 C ATOM 1410 OE1 GLN A 93 13.122 -4.382 -5.201 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 12.367 -3.675 -7.201 1.00 0.00 N flip ATOM 0 H GLN A 93 11.259 -3.425 -2.910 1.00 0.00 H new ATOM 0 HA GLN A 93 9.976 -3.165 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.068 -5.324 -3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.518 -5.728 -4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.406 -6.350 -6.067 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.344 -5.173 -6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.661 -3.714 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.171 -3.055 -7.299 1.00 0.00 H new ATOM 1420 N VAL A 94 7.581 -4.001 -4.820 1.00 0.00 N ATOM 1421 CA VAL A 94 6.175 -3.979 -4.453 1.00 0.00 C ATOM 1422 C VAL A 94 5.518 -5.291 -4.886 1.00 0.00 C ATOM 1423 O VAL A 94 6.025 -5.982 -5.769 1.00 0.00 O ATOM 1424 CB VAL A 94 5.497 -2.745 -5.052 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.486 -2.814 -6.580 1.00 0.00 C ATOM 1426 CG2 VAL A 94 4.080 -2.576 -4.500 1.00 0.00 C ATOM 0 H VAL A 94 7.777 -4.408 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 94 6.064 -3.902 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 94 6.076 -1.869 -4.760 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.999 -1.925 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.510 -2.864 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.941 -3.702 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.620 -1.692 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.486 -3.456 -4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.123 -2.460 -3.417 1.00 0.00 H new ATOM 1436 N VAL A 95 4.400 -5.596 -4.244 1.00 0.00 N ATOM 1437 CA VAL A 95 3.669 -6.814 -4.552 1.00 0.00 C ATOM 1438 C VAL A 95 2.171 -6.564 -4.366 1.00 0.00 C ATOM 1439 O VAL A 95 1.769 -5.804 -3.487 1.00 0.00 O ATOM 1440 CB VAL A 95 4.193 -7.969 -3.697 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.112 -7.630 -2.207 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.440 -9.265 -4.005 1.00 0.00 C ATOM 0 H VAL A 95 3.982 -5.021 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 95 3.825 -7.101 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 95 5.242 -8.122 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.491 -8.468 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.713 -6.744 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.075 -7.436 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.832 -10.070 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.379 -9.128 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.571 -9.521 -5.056 1.00 0.00 H new ATOM 1452 N THR A 96 1.385 -7.219 -5.209 1.00 0.00 N ATOM 1453 CA THR A 96 -0.059 -7.078 -5.149 1.00 0.00 C ATOM 1454 C THR A 96 -0.720 -8.442 -4.940 1.00 0.00 C ATOM 1455 O THR A 96 -0.464 -9.381 -5.692 1.00 0.00 O ATOM 1456 CB THR A 96 -0.519 -6.369 -6.424 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.329 -5.227 -6.511 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.925 -5.780 -6.293 1.00 0.00 C ATOM 0 H THR A 96 1.722 -7.849 -5.937 1.00 0.00 H new ATOM 0 HA THR A 96 -0.361 -6.471 -4.296 1.00 0.00 H new ATOM 0 HB THR A 96 -0.496 -7.071 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.100 -4.710 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.202 -5.288 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.635 -6.578 -6.079 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.941 -5.053 -5.481 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.558 -8.507 -3.915 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.257 -9.741 -3.598 1.00 0.00 C ATOM 1468 C ILE A 97 -3.754 -9.555 -3.859 1.00 0.00 C ATOM 1469 O ILE A 97 -4.497 -9.151 -2.966 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.933 -10.189 -2.172 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.420 -10.257 -1.950 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.621 -11.516 -1.845 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.148 -8.876 -1.621 1.00 0.00 C ATOM 0 H ILE A 97 -1.768 -7.726 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.917 -10.549 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.327 -9.444 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.199 -10.948 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.065 -10.650 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.374 -11.812 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.701 -11.399 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.279 -12.284 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.224 -8.952 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.054 -8.194 -2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.321 -8.496 -0.714 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.150 -9.858 -5.087 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.544 -9.729 -5.476 1.00 0.00 C ATOM 1487 C TRP A 98 -6.318 -10.893 -4.853 1.00 0.00 C ATOM 1488 O TRP A 98 -5.724 -11.888 -4.441 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.684 -9.664 -6.998 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.807 -8.599 -7.659 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.500 -8.670 -7.946 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.229 -7.294 -8.106 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -3.050 -7.510 -8.543 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -4.135 -6.646 -8.644 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.492 -6.680 -8.058 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -4.194 -5.352 -9.174 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.535 -5.386 -8.592 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.443 -4.721 -9.137 1.00 0.00 C ATOM 0 H TRP A 98 -3.530 -10.192 -5.825 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.964 -8.794 -5.105 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.433 -10.638 -7.418 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.727 -9.468 -7.249 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.877 -9.527 -7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.097 -7.321 -8.853 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.361 -7.168 -7.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.323 -4.867 -9.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.483 -4.869 -8.579 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.558 -3.722 -9.530 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.632 -10.729 -4.805 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.493 -11.754 -4.240 1.00 0.00 C ATOM 1511 C ALA A 99 -9.176 -12.522 -5.373 1.00 0.00 C ATOM 1512 O ALA A 99 -9.498 -11.947 -6.412 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.499 -11.106 -3.286 1.00 0.00 C ATOM 0 H ALA A 99 -8.121 -9.902 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.909 -12.470 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.145 -11.874 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.964 -10.598 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.105 -10.383 -3.832 1.00 0.00 H new ATOM 1519 N SER A 100 -9.378 -13.810 -5.135 1.00 0.00 N ATOM 1520 CA SER A 100 -10.017 -14.662 -6.123 1.00 0.00 C ATOM 1521 C SER A 100 -11.167 -13.912 -6.796 1.00 0.00 C ATOM 1522 O SER A 100 -11.224 -13.826 -8.022 1.00 0.00 O ATOM 1523 CB SER A 100 -10.528 -15.956 -5.486 1.00 0.00 C ATOM 1524 OG SER A 100 -11.616 -16.517 -6.215 1.00 0.00 O ATOM 0 H SER A 100 -9.110 -14.284 -4.272 1.00 0.00 H new ATOM 0 HA SER A 100 -9.275 -14.928 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.715 -16.680 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.843 -15.756 -4.462 1.00 0.00 H new ATOM 0 HG SER A 100 -11.912 -17.342 -5.777 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.056 -13.388 -5.966 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.202 -12.647 -6.466 1.00 0.00 C ATOM 1532 C GLY A 101 -12.768 -11.577 -7.469 1.00 0.00 C ATOM 1533 O GLY A 101 -13.286 -11.519 -8.583 1.00 0.00 O ATOM 0 H GLY A 101 -12.006 -13.462 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.904 -13.333 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.728 -12.179 -5.634 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.822 -10.756 -7.037 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.312 -9.690 -7.884 1.00 0.00 C ATOM 1539 C ALA A 102 -10.952 -10.264 -9.256 1.00 0.00 C ATOM 1540 O ALA A 102 -10.583 -11.432 -9.367 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.119 -9.021 -7.200 1.00 0.00 C ATOM 0 H ALA A 102 -11.395 -10.807 -6.112 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.072 -8.923 -8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.737 -8.222 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.435 -8.605 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.334 -9.759 -7.033 1.00 0.00 H new ATOM 1547 N GLY A 103 -11.072 -9.415 -10.266 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.763 -9.822 -11.626 1.00 0.00 C ATOM 1549 C GLY A 103 -9.284 -9.594 -11.945 1.00 0.00 C ATOM 1550 O GLY A 103 -8.942 -9.149 -13.039 1.00 0.00 O ATOM 0 H GLY A 103 -11.379 -8.447 -10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.009 -10.876 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.380 -9.260 -12.327 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.446 -9.909 -10.968 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.011 -9.744 -11.130 1.00 0.00 C ATOM 1556 C ALA A 104 -6.455 -10.920 -11.936 1.00 0.00 C ATOM 1557 O ALA A 104 -7.215 -11.718 -12.482 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.353 -9.616 -9.755 1.00 0.00 C ATOM 0 H ALA A 104 -8.733 -10.278 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.789 -8.831 -11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.277 -9.492 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.761 -8.749 -9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.551 -10.515 -9.172 1.00 0.00 H new ATOM 1564 N THR A 105 -5.133 -10.990 -11.984 1.00 0.00 N ATOM 1565 CA THR A 105 -4.466 -12.055 -12.714 1.00 0.00 C ATOM 1566 C THR A 105 -3.182 -12.471 -11.994 1.00 0.00 C ATOM 1567 O THR A 105 -2.295 -11.647 -11.771 1.00 0.00 O ATOM 1568 CB THR A 105 -4.230 -11.571 -14.146 1.00 0.00 C ATOM 1569 OG1 THR A 105 -5.382 -12.017 -14.857 1.00 0.00 O ATOM 1570 CG2 THR A 105 -3.068 -12.298 -14.826 1.00 0.00 C ATOM 0 H THR A 105 -4.506 -10.327 -11.529 1.00 0.00 H new ATOM 0 HA THR A 105 -5.083 -12.952 -12.757 1.00 0.00 H new ATOM 0 HB THR A 105 -4.033 -10.499 -14.139 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.165 -11.979 -14.268 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.943 -11.917 -15.840 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.152 -12.129 -14.260 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.280 -13.367 -14.864 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.122 -13.749 -11.650 1.00 0.00 N ATOM 1579 CA HIS A 106 -1.961 -14.285 -10.960 1.00 0.00 C ATOM 1580 C HIS A 106 -0.700 -13.997 -11.777 1.00 0.00 C ATOM 1581 O HIS A 106 -0.344 -14.767 -12.668 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.146 -15.774 -10.660 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.227 -16.303 -9.585 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.528 -16.227 -8.237 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.012 -16.916 -9.674 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.532 -16.773 -7.554 1.00 0.00 C ATOM 1587 NE2 HIS A 106 0.407 -17.198 -8.447 1.00 0.00 N ATOM 0 H HIS A 106 -3.859 -14.429 -11.836 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.847 -13.791 -9.995 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.179 -15.948 -10.358 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -1.982 -16.342 -11.576 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.519 -17.135 -10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.474 -16.865 -6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.287 -17.657 -8.211 1.00 0.00 H new ATOM 1595 N SER A 107 -0.058 -12.887 -11.444 1.00 0.00 N ATOM 1596 CA SER A 107 1.155 -12.488 -12.136 1.00 0.00 C ATOM 1597 C SER A 107 2.268 -12.209 -11.124 1.00 0.00 C ATOM 1598 O SER A 107 2.674 -11.062 -10.942 1.00 0.00 O ATOM 1599 CB SER A 107 0.912 -11.255 -13.009 1.00 0.00 C ATOM 1600 OG SER A 107 0.950 -11.569 -14.399 1.00 0.00 O ATOM 0 H SER A 107 -0.355 -12.251 -10.704 1.00 0.00 H new ATOM 0 HA SER A 107 1.461 -13.307 -12.787 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.057 -10.821 -12.762 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.666 -10.499 -12.787 1.00 0.00 H new ATOM 0 HG SER A 107 0.789 -10.756 -14.922 1.00 0.00 H new ATOM 1606 N PRO A 108 2.741 -13.306 -10.474 1.00 0.00 N ATOM 1607 CA PRO A 108 3.799 -13.191 -9.484 1.00 0.00 C ATOM 1608 C PRO A 108 5.155 -12.960 -10.155 1.00 0.00 C ATOM 1609 O PRO A 108 5.279 -13.088 -11.372 1.00 0.00 O ATOM 1610 CB PRO A 108 3.740 -14.488 -8.694 1.00 0.00 C ATOM 1611 CG PRO A 108 2.968 -15.470 -9.560 1.00 0.00 C ATOM 1612 CD PRO A 108 2.284 -14.680 -10.664 1.00 0.00 C ATOM 0 HA PRO A 108 3.668 -12.333 -8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.742 -14.860 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.243 -14.339 -7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.641 -16.215 -9.984 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.232 -16.008 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.559 -15.056 -11.649 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.199 -14.751 -10.588 1.00 0.00 H new ATOM 1620 N PRO A 109 6.163 -12.615 -9.309 1.00 0.00 N ATOM 1621 CA PRO A 109 5.930 -12.486 -7.881 1.00 0.00 C ATOM 1622 C PRO A 109 5.175 -11.193 -7.563 1.00 0.00 C ATOM 1623 O PRO A 109 4.651 -11.030 -6.463 1.00 0.00 O ATOM 1624 CB PRO A 109 7.313 -12.536 -7.251 1.00 0.00 C ATOM 1625 CG PRO A 109 8.292 -12.225 -8.371 1.00 0.00 C ATOM 1626 CD PRO A 109 7.545 -12.341 -9.689 1.00 0.00 C ATOM 0 HA PRO A 109 5.297 -13.280 -7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.401 -11.810 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.511 -13.518 -6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.702 -11.222 -8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.133 -12.918 -8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.621 -11.422 -10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.952 -13.142 -10.306 1.00 0.00 H new ATOM 1634 N THR A 110 5.143 -10.307 -8.548 1.00 0.00 N ATOM 1635 CA THR A 110 4.461 -9.034 -8.388 1.00 0.00 C ATOM 1636 C THR A 110 2.995 -9.259 -8.012 1.00 0.00 C ATOM 1637 O THR A 110 2.662 -9.364 -6.833 1.00 0.00 O ATOM 1638 CB THR A 110 4.642 -8.235 -9.680 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.166 -9.110 -10.699 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.115 -8.017 -10.032 1.00 0.00 C ATOM 0 H THR A 110 5.578 -10.446 -9.460 1.00 0.00 H new ATOM 0 HA THR A 110 4.889 -8.455 -7.569 1.00 0.00 H new ATOM 0 HB THR A 110 4.146 -7.269 -9.582 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.895 -9.962 -10.298 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.187 -7.445 -10.957 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.604 -7.468 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.604 -8.982 -10.163 1.00 0.00 H new ATOM 1648 N ASP A 111 2.158 -9.324 -9.037 1.00 0.00 N ATOM 1649 CA ASP A 111 0.735 -9.534 -8.829 1.00 0.00 C ATOM 1650 C ASP A 111 0.501 -10.967 -8.346 1.00 0.00 C ATOM 1651 O ASP A 111 1.220 -11.884 -8.739 1.00 0.00 O ATOM 1652 CB ASP A 111 -0.046 -9.340 -10.131 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.391 -7.888 -10.467 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.268 -6.999 -9.887 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -1.306 -7.701 -11.298 1.00 0.00 O ATOM 0 H ASP A 111 2.438 -9.235 -10.014 1.00 0.00 H new ATOM 0 HA ASP A 111 0.391 -8.810 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.536 -9.759 -10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.971 -9.913 -10.071 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.508 -11.114 -7.500 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.847 -12.419 -6.959 1.00 0.00 C ATOM 1662 C LEU A 112 -2.367 -12.536 -6.833 1.00 0.00 C ATOM 1663 O LEU A 112 -3.079 -11.536 -6.913 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.100 -12.666 -5.647 1.00 0.00 C ATOM 1665 CG LEU A 112 1.322 -13.215 -5.777 1.00 0.00 C ATOM 1666 CD1 LEU A 112 2.064 -13.140 -4.441 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.311 -14.635 -6.347 1.00 0.00 C ATOM 0 H LEU A 112 -1.102 -10.351 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.522 -13.208 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.057 -11.727 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.684 -13.363 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 112 1.867 -12.588 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.072 -13.537 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.119 -12.102 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.530 -13.728 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.334 -15.002 -6.429 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.743 -15.289 -5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.848 -14.627 -7.334 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.820 -13.765 -6.637 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.243 -14.025 -6.499 1.00 0.00 C ATOM 1681 C VAL A 113 -4.474 -14.956 -5.306 1.00 0.00 C ATOM 1682 O VAL A 113 -3.858 -16.017 -5.214 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.803 -14.583 -7.809 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.236 -15.086 -7.622 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.729 -13.539 -8.925 1.00 0.00 C ATOM 0 H VAL A 113 -2.227 -14.592 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.782 -13.099 -6.299 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.186 -15.432 -8.103 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.611 -15.477 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.249 -15.876 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.871 -14.263 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.133 -13.961 -9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.311 -12.662 -8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.690 -13.250 -9.084 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.362 -14.524 -4.423 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.681 -15.305 -3.240 1.00 0.00 C ATOM 1697 C TRP A 114 -6.863 -16.216 -3.579 1.00 0.00 C ATOM 1698 O TRP A 114 -8.011 -15.773 -3.585 1.00 0.00 O ATOM 1699 CB TRP A 114 -5.953 -14.396 -2.040 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.014 -15.135 -0.701 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -5.773 -16.431 -0.462 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.349 -14.564 0.581 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -5.927 -16.736 0.875 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.288 -15.564 1.530 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -6.691 -13.245 0.929 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.558 -15.352 2.887 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -6.958 -13.049 2.289 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -6.901 -14.046 3.256 1.00 0.00 C ATOM 0 H TRP A 114 -5.871 -13.643 -4.503 1.00 0.00 H new ATOM 0 HA TRP A 114 -4.834 -15.927 -2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.173 -13.636 -1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -6.897 -13.874 -2.199 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.493 -17.147 -1.220 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.799 -17.653 1.304 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -6.743 -12.446 0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.505 -16.153 3.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.227 -12.053 2.610 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.120 -13.814 4.288 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.542 -17.471 -3.854 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.562 -18.448 -4.194 1.00 0.00 C ATOM 1721 C LYS A 115 -8.246 -18.932 -2.913 1.00 0.00 C ATOM 1722 O LYS A 115 -9.472 -19.005 -2.849 1.00 0.00 O ATOM 1723 CB LYS A 115 -6.964 -19.577 -5.035 1.00 0.00 C ATOM 1724 CG LYS A 115 -7.754 -19.772 -6.331 1.00 0.00 C ATOM 1725 CD LYS A 115 -8.769 -20.908 -6.190 1.00 0.00 C ATOM 1726 CE LYS A 115 -10.179 -20.358 -5.962 1.00 0.00 C ATOM 1727 NZ LYS A 115 -10.858 -21.104 -4.879 1.00 0.00 N ATOM 0 H LYS A 115 -5.589 -17.834 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.333 -17.993 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.924 -19.349 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.966 -20.503 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.271 -18.848 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.068 -19.992 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.756 -21.525 -7.088 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.487 -21.552 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.126 -19.300 -5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.758 -20.434 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -11.887 -21.067 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.542 -22.095 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -10.622 -20.675 -3.961 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.423 -19.249 -1.924 1.00 0.00 N ATOM 1742 CA ALA A 116 -7.933 -19.723 -0.649 1.00 0.00 C ATOM 1743 C ALA A 116 -9.165 -18.903 -0.261 1.00 0.00 C ATOM 1744 O ALA A 116 -10.173 -19.459 0.174 1.00 0.00 O ATOM 1745 CB ALA A 116 -6.826 -19.645 0.404 1.00 0.00 C ATOM 0 H ALA A 116 -6.406 -19.187 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.241 -20.766 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.208 -20.001 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -5.986 -20.267 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.494 -18.612 0.507 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.044 -17.595 -0.431 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.135 -16.693 -0.104 1.00 0.00 C ATOM 1753 C GLN A 117 -10.847 -16.237 -1.379 1.00 0.00 C ATOM 1754 O GLN A 117 -10.398 -16.533 -2.485 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.633 -15.494 0.703 1.00 0.00 C ATOM 1756 CG GLN A 117 -9.586 -15.820 2.197 1.00 0.00 C ATOM 1757 CD GLN A 117 -10.982 -15.747 2.818 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -11.589 -14.576 2.650 1.00 0.00 O flip ATOM 1759 NE2 GLN A 117 -11.475 -16.692 3.412 1.00 0.00 N flip ATOM 0 H GLN A 117 -8.206 -17.138 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.852 -17.231 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.639 -15.209 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.287 -14.638 0.534 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.171 -16.817 2.342 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.921 -15.121 2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.954 -17.564 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -12.408 -16.610 3.816 1.00 0.00 H new ATOM 1768 N ASN A 118 -11.945 -15.522 -1.183 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.723 -15.022 -2.303 1.00 0.00 C ATOM 1770 C ASN A 118 -12.653 -13.494 -2.325 1.00 0.00 C ATOM 1771 O ASN A 118 -12.817 -12.876 -3.376 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.194 -15.425 -2.176 1.00 0.00 C ATOM 1773 CG ASN A 118 -14.854 -14.725 -0.987 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -15.595 -13.767 -1.131 1.00 0.00 O ATOM 1775 ND2 ASN A 118 -14.545 -15.256 0.193 1.00 0.00 N ATOM 0 H ASN A 118 -12.314 -15.277 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.310 -15.448 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.725 -15.170 -3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.269 -16.506 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -14.936 -14.860 1.048 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -13.918 -16.059 0.242 1.00 0.00 H new ATOM 1782 N THR A 119 -12.408 -12.927 -1.153 1.00 0.00 N ATOM 1783 CA THR A 119 -12.313 -11.483 -1.024 1.00 0.00 C ATOM 1784 C THR A 119 -11.564 -11.109 0.256 1.00 0.00 C ATOM 1785 O THR A 119 -11.594 -11.851 1.236 1.00 0.00 O ATOM 1786 CB THR A 119 -13.730 -10.909 -1.089 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.530 -9.500 -1.168 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.500 -11.103 0.219 1.00 0.00 C ATOM 0 H THR A 119 -12.272 -13.442 -0.283 1.00 0.00 H new ATOM 0 HA THR A 119 -11.733 -11.050 -1.839 1.00 0.00 H new ATOM 0 HB THR A 119 -14.276 -11.381 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.398 -9.048 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.499 -10.678 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.579 -12.167 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.972 -10.602 1.030 1.00 0.00 H new ATOM 1796 N TRP A 120 -10.909 -9.959 0.206 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.152 -9.477 1.349 1.00 0.00 C ATOM 1798 C TRP A 120 -11.147 -9.105 2.451 1.00 0.00 C ATOM 1799 O TRP A 120 -10.940 -9.436 3.617 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.237 -8.317 0.953 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.867 -8.756 0.433 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.469 -8.881 -0.840 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.722 -9.123 1.231 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.157 -9.301 -0.921 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.688 -9.453 0.379 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.565 -9.175 2.627 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.425 -9.858 0.826 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.297 -9.582 3.059 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.246 -9.918 2.213 1.00 0.00 C ATOM 0 H TRP A 120 -10.887 -9.346 -0.609 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.487 -10.254 1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.732 -7.723 0.185 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.095 -7.668 1.817 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -8.096 -8.678 -1.696 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.629 -9.469 -1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.360 -8.921 3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.632 -10.111 0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.123 -9.639 4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.295 -10.224 2.624 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.205 -8.421 2.041 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.232 -7.999 2.979 1.00 0.00 C ATOM 1822 C GLY A 121 -13.579 -6.522 2.785 1.00 0.00 C ATOM 1823 O GLY A 121 -12.834 -5.644 3.217 1.00 0.00 O ATOM 0 H GLY A 121 -12.373 -8.149 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.126 -8.607 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.887 -8.164 4.000 1.00 0.00 H new ATOM 1827 N CYS A 122 -14.711 -6.293 2.135 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.165 -4.937 1.878 1.00 0.00 C ATOM 1829 C CYS A 122 -15.920 -4.441 3.113 1.00 0.00 C ATOM 1830 O CYS A 122 -15.878 -5.075 4.166 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.024 -4.857 0.614 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.402 -6.057 0.718 1.00 0.00 S ATOM 0 H CYS A 122 -15.327 -7.024 1.779 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.305 -4.292 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -16.418 -3.848 0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.414 -5.067 -0.264 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.127 -5.980 -0.358 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.593 -3.313 2.943 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.356 -2.725 4.031 1.00 0.00 C ATOM 1840 C GLY A 123 -16.822 -1.336 4.387 1.00 0.00 C ATOM 1841 O GLY A 123 -15.732 -0.958 3.961 1.00 0.00 O ATOM 0 H GLY A 123 -16.626 -2.790 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.406 -2.653 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.307 -3.373 4.906 1.00 0.00 H new ATOM 1845 N SER A 124 -17.615 -0.614 5.165 1.00 0.00 N ATOM 1846 CA SER A 124 -17.237 0.725 5.583 1.00 0.00 C ATOM 1847 C SER A 124 -15.961 0.668 6.426 1.00 0.00 C ATOM 1848 O SER A 124 -14.926 1.200 6.028 1.00 0.00 O ATOM 1849 CB SER A 124 -18.364 1.395 6.371 1.00 0.00 C ATOM 1850 OG SER A 124 -18.827 0.577 7.442 1.00 0.00 O ATOM 0 H SER A 124 -18.518 -0.931 5.517 1.00 0.00 H new ATOM 0 HA SER A 124 -17.050 1.322 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.012 2.347 6.768 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.194 1.617 5.700 1.00 0.00 H new ATOM 0 HG SER A 124 -19.545 1.041 7.921 1.00 0.00 H new ATOM 1856 N SER A 125 -16.078 0.020 7.576 1.00 0.00 N ATOM 1857 CA SER A 125 -14.947 -0.113 8.478 1.00 0.00 C ATOM 1858 C SER A 125 -14.081 -1.304 8.061 1.00 0.00 C ATOM 1859 O SER A 125 -14.586 -2.413 7.891 1.00 0.00 O ATOM 1860 CB SER A 125 -15.413 -0.277 9.926 1.00 0.00 C ATOM 1861 OG SER A 125 -14.319 -0.324 10.838 1.00 0.00 O ATOM 0 H SER A 125 -16.939 -0.418 7.904 1.00 0.00 H new ATOM 0 HA SER A 125 -14.353 0.799 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.070 0.551 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.000 -1.191 10.016 1.00 0.00 H new ATOM 0 HG SER A 125 -14.659 -0.428 11.751 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.793 -1.035 7.909 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.853 -2.070 7.516 1.00 0.00 C ATOM 1869 C LEU A 126 -10.549 -1.893 8.296 1.00 0.00 C ATOM 1870 O LEU A 126 -10.143 -0.769 8.586 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.665 -2.074 5.997 1.00 0.00 C ATOM 1872 CG LEU A 126 -12.919 -1.799 5.165 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.561 -1.125 3.840 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.731 -3.078 4.957 1.00 0.00 C ATOM 0 H LEU A 126 -12.378 -0.114 8.051 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.244 -3.055 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.913 -1.327 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.264 -3.044 5.703 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.550 -1.104 5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.470 -0.941 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.058 -0.178 4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.898 -1.775 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.617 -2.854 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.121 -3.816 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.035 -3.477 5.925 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.930 -3.020 8.614 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.680 -3.004 9.356 1.00 0.00 C ATOM 1888 C ARG A 127 -7.744 -4.099 8.842 1.00 0.00 C ATOM 1889 O ARG A 127 -8.026 -5.286 8.999 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.924 -3.211 10.852 1.00 0.00 C ATOM 1891 CG ARG A 127 -8.028 -2.294 11.686 1.00 0.00 C ATOM 1892 CD ARG A 127 -8.761 -1.796 12.933 1.00 0.00 C ATOM 1893 NE ARG A 127 -7.807 -1.136 13.852 1.00 0.00 N ATOM 1894 CZ ARG A 127 -6.944 -1.794 14.638 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -6.909 -3.133 14.621 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -6.115 -1.112 15.440 1.00 0.00 N ATOM 0 H ARG A 127 -10.270 -3.951 8.372 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.219 -2.028 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.970 -3.012 11.084 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.731 -4.251 11.115 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.126 -2.831 11.980 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.710 -1.444 11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.547 -1.097 12.648 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.246 -2.632 13.438 1.00 0.00 H new ATOM 0 HE ARG A 127 -7.806 -0.117 13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.539 -3.652 14.010 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -6.252 -3.634 15.219 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.141 -0.092 15.452 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.458 -1.612 16.038 1.00 0.00 H new ATOM 1910 N THR A 128 -6.648 -3.662 8.240 1.00 0.00 N ATOM 1911 CA THR A 128 -5.668 -4.591 7.702 1.00 0.00 C ATOM 1912 C THR A 128 -4.369 -4.522 8.508 1.00 0.00 C ATOM 1913 O THR A 128 -4.148 -3.570 9.256 1.00 0.00 O ATOM 1914 CB THR A 128 -5.479 -4.273 6.218 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.715 -4.656 5.621 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.446 -5.182 5.551 1.00 0.00 C ATOM 0 H THR A 128 -6.416 -2.677 8.113 1.00 0.00 H new ATOM 0 HA THR A 128 -6.013 -5.622 7.787 1.00 0.00 H new ATOM 0 HB THR A 128 -5.173 -3.233 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.559 -5.383 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.351 -4.914 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.482 -5.061 6.045 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.768 -6.220 5.633 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.544 -5.543 8.329 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.273 -5.609 9.031 1.00 0.00 C ATOM 1926 C ALA A 129 -1.346 -6.587 8.305 1.00 0.00 C ATOM 1927 O ALA A 129 -1.799 -7.386 7.487 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.514 -6.007 10.488 1.00 0.00 C ATOM 0 H ALA A 129 -3.730 -6.331 7.709 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.786 -4.634 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.561 -6.056 11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.155 -5.266 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.999 -6.983 10.523 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.066 -6.492 8.632 1.00 0.00 N ATOM 1935 CA LEU A 130 0.929 -7.358 8.022 1.00 0.00 C ATOM 1936 C LEU A 130 1.759 -8.026 9.120 1.00 0.00 C ATOM 1937 O LEU A 130 2.229 -7.359 10.040 1.00 0.00 O ATOM 1938 CB LEU A 130 1.766 -6.580 7.005 1.00 0.00 C ATOM 1939 CG LEU A 130 2.939 -7.338 6.381 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.461 -8.251 5.249 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.031 -6.373 5.917 1.00 0.00 C ATOM 0 H LEU A 130 0.305 -5.828 9.312 1.00 0.00 H new ATOM 0 HA LEU A 130 0.445 -8.155 7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.108 -6.245 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.155 -5.686 7.492 1.00 0.00 H new ATOM 0 HG LEU A 130 3.379 -7.977 7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.314 -8.778 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.747 -8.974 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.981 -7.651 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.853 -6.938 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.621 -5.690 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.398 -5.802 6.770 1.00 0.00 H new ATOM 1953 N ILE A 131 1.914 -9.335 8.986 1.00 0.00 N ATOM 1954 CA ILE A 131 2.679 -10.101 9.955 1.00 0.00 C ATOM 1955 C ILE A 131 3.945 -10.641 9.287 1.00 0.00 C ATOM 1956 O ILE A 131 3.946 -10.929 8.091 1.00 0.00 O ATOM 1957 CB ILE A 131 1.808 -11.187 10.589 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.459 -10.618 11.033 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.543 -11.879 11.738 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.645 -9.512 12.074 1.00 0.00 C ATOM 0 H ILE A 131 1.523 -9.885 8.221 1.00 0.00 H new ATOM 0 HA ILE A 131 2.999 -9.462 10.778 1.00 0.00 H new ATOM 0 HB ILE A 131 1.605 -11.946 9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.075 -10.223 10.169 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.156 -11.415 11.450 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.901 -12.646 12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.456 -12.340 11.361 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.797 -11.145 12.502 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.330 -9.125 12.372 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.157 -9.916 12.947 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.240 -8.705 11.646 1.00 0.00 H new ATOM 1972 N ASN A 132 4.994 -10.761 10.088 1.00 0.00 N ATOM 1973 CA ASN A 132 6.263 -11.261 9.590 1.00 0.00 C ATOM 1974 C ASN A 132 6.400 -12.742 9.948 1.00 0.00 C ATOM 1975 O ASN A 132 5.454 -13.355 10.443 1.00 0.00 O ATOM 1976 CB ASN A 132 7.437 -10.512 10.222 1.00 0.00 C ATOM 1977 CG ASN A 132 7.455 -10.702 11.740 1.00 0.00 C ATOM 1978 OD1 ASN A 132 8.038 -11.635 12.268 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.787 -9.768 12.410 1.00 0.00 N ATOM 0 H ASN A 132 4.990 -10.520 11.079 1.00 0.00 H new ATOM 0 HA ASN A 132 6.281 -11.115 8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.374 -10.871 9.796 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.365 -9.450 9.986 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.740 -9.806 13.428 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.321 -9.014 11.906 1.00 0.00 H new ATOM 1986 N SER A 133 7.584 -13.276 9.685 1.00 0.00 N ATOM 1987 CA SER A 133 7.856 -14.673 9.974 1.00 0.00 C ATOM 1988 C SER A 133 7.171 -15.081 11.280 1.00 0.00 C ATOM 1989 O SER A 133 6.443 -16.072 11.320 1.00 0.00 O ATOM 1990 CB SER A 133 9.361 -14.935 10.060 1.00 0.00 C ATOM 1991 OG SER A 133 9.795 -15.115 11.405 1.00 0.00 O ATOM 0 H SER A 133 8.366 -12.765 9.275 1.00 0.00 H new ATOM 0 HA SER A 133 7.456 -15.275 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.608 -15.822 9.477 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.901 -14.100 9.614 1.00 0.00 H new ATOM 0 HG SER A 133 10.761 -15.282 11.418 1.00 0.00 H new ATOM 1997 N THR A 134 7.427 -14.295 12.316 1.00 0.00 N ATOM 1998 CA THR A 134 6.844 -14.562 13.619 1.00 0.00 C ATOM 1999 C THR A 134 5.457 -13.923 13.724 1.00 0.00 C ATOM 2000 O THR A 134 5.144 -12.987 12.990 1.00 0.00 O ATOM 2001 CB THR A 134 7.823 -14.067 14.686 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.918 -12.666 14.445 1.00 0.00 O ATOM 2003 CG2 THR A 134 9.246 -14.582 14.458 1.00 0.00 C ATOM 0 H THR A 134 8.030 -13.473 12.279 1.00 0.00 H new ATOM 0 HA THR A 134 6.688 -15.630 13.771 1.00 0.00 H new ATOM 0 HB THR A 134 7.477 -14.381 15.671 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.683 -12.478 13.512 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.901 -14.202 15.242 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.247 -15.672 14.481 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.606 -14.240 13.488 1.00 0.00 H new ATOM 2011 N GLY A 135 4.664 -14.455 14.643 1.00 0.00 N ATOM 2012 CA GLY A 135 3.319 -13.949 14.853 1.00 0.00 C ATOM 2013 C GLY A 135 3.350 -12.530 15.426 1.00 0.00 C ATOM 2014 O GLY A 135 2.886 -12.296 16.541 1.00 0.00 O ATOM 0 H GLY A 135 4.928 -15.231 15.250 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.774 -13.952 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.781 -14.608 15.534 1.00 0.00 H new ATOM 2018 N GLU A 136 3.901 -11.620 14.637 1.00 0.00 N ATOM 2019 CA GLU A 136 3.999 -10.231 15.051 1.00 0.00 C ATOM 2020 C GLU A 136 3.777 -9.303 13.855 1.00 0.00 C ATOM 2021 O GLU A 136 4.317 -9.536 12.775 1.00 0.00 O ATOM 2022 CB GLU A 136 5.348 -9.951 15.718 1.00 0.00 C ATOM 2023 CG GLU A 136 5.680 -8.458 15.678 1.00 0.00 C ATOM 2024 CD GLU A 136 6.935 -8.154 16.499 1.00 0.00 C ATOM 2025 OE1 GLU A 136 7.957 -8.827 16.244 1.00 0.00 O ATOM 2026 OE2 GLU A 136 6.845 -7.255 17.362 1.00 0.00 O ATOM 0 H GLU A 136 4.284 -11.818 13.713 1.00 0.00 H new ATOM 0 HA GLU A 136 3.219 -10.037 15.787 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.325 -10.294 16.752 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.132 -10.515 15.212 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.831 -8.143 14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.839 -7.884 16.067 1.00 0.00 H new ATOM 2033 N GLU A 137 2.980 -8.270 14.088 1.00 0.00 N ATOM 2034 CA GLU A 137 2.679 -7.306 13.043 1.00 0.00 C ATOM 2035 C GLU A 137 3.834 -6.315 12.887 1.00 0.00 C ATOM 2036 O GLU A 137 4.453 -5.918 13.872 1.00 0.00 O ATOM 2037 CB GLU A 137 1.365 -6.577 13.332 1.00 0.00 C ATOM 2038 CG GLU A 137 0.985 -5.653 12.173 1.00 0.00 C ATOM 2039 CD GLU A 137 0.517 -4.291 12.690 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -0.657 -4.218 13.113 1.00 0.00 O ATOM 2041 OE2 GLU A 137 1.343 -3.353 12.649 1.00 0.00 O ATOM 0 H GLU A 137 2.534 -8.080 14.985 1.00 0.00 H new ATOM 0 HA GLU A 137 2.558 -7.844 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.570 -7.304 13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.461 -5.996 14.249 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.842 -5.521 11.512 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.194 -6.113 11.581 1.00 0.00 H new ATOM 2048 N VAL A 138 4.089 -5.945 11.641 1.00 0.00 N ATOM 2049 CA VAL A 138 5.158 -5.007 11.342 1.00 0.00 C ATOM 2050 C VAL A 138 4.554 -3.685 10.867 1.00 0.00 C ATOM 2051 O VAL A 138 5.098 -2.616 11.140 1.00 0.00 O ATOM 2052 CB VAL A 138 6.125 -5.622 10.328 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.109 -6.572 11.013 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.364 -6.335 9.208 1.00 0.00 C ATOM 0 H VAL A 138 3.574 -6.278 10.826 1.00 0.00 H new ATOM 0 HA VAL A 138 5.740 -4.794 12.238 1.00 0.00 H new ATOM 0 HB VAL A 138 6.700 -4.812 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.784 -6.995 10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.686 -6.023 11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.558 -7.376 11.502 1.00 0.00 H new ATOM 0 HG21 VAL A 138 6.074 -6.763 8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.751 -7.130 9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.724 -5.620 8.691 1.00 0.00 H new ATOM 2064 N ALA A 139 3.437 -3.800 10.164 1.00 0.00 N ATOM 2065 CA ALA A 139 2.753 -2.626 9.649 1.00 0.00 C ATOM 2066 C ALA A 139 1.241 -2.854 9.711 1.00 0.00 C ATOM 2067 O ALA A 139 0.780 -3.994 9.693 1.00 0.00 O ATOM 2068 CB ALA A 139 3.240 -2.334 8.228 1.00 0.00 C ATOM 0 H ALA A 139 2.989 -4.688 9.939 1.00 0.00 H new ATOM 0 HA ALA A 139 2.980 -1.751 10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.727 -1.453 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.314 -2.151 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.026 -3.189 7.587 1.00 0.00 H new ATOM 2074 N MET A 140 0.511 -1.750 9.785 1.00 0.00 N ATOM 2075 CA MET A 140 -0.939 -1.815 9.850 1.00 0.00 C ATOM 2076 C MET A 140 -1.577 -0.811 8.888 1.00 0.00 C ATOM 2077 O MET A 140 -1.017 0.255 8.637 1.00 0.00 O ATOM 2078 CB MET A 140 -1.399 -1.517 11.279 1.00 0.00 C ATOM 2079 CG MET A 140 -1.243 -0.031 11.606 1.00 0.00 C ATOM 2080 SD MET A 140 -1.856 0.301 13.249 1.00 0.00 S ATOM 2081 CE MET A 140 -3.596 0.490 12.898 1.00 0.00 C ATOM 0 H MET A 140 0.897 -0.806 9.801 1.00 0.00 H new ATOM 0 HA MET A 140 -1.253 -2.817 9.559 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.442 -1.812 11.398 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.817 -2.111 11.984 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.194 0.257 11.535 1.00 0.00 H new ATOM 0 HG3 MET A 140 -1.788 0.569 10.878 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.180 0.047 13.704 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.837 1.550 12.815 1.00 0.00 H new ATOM 0 HE3 MET A 140 -3.834 -0.011 11.960 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.739 -1.188 8.375 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.459 -0.334 7.446 1.00 0.00 C ATOM 2093 C ARG A 141 -4.963 -0.400 7.720 1.00 0.00 C ATOM 2094 O ARG A 141 -5.637 -1.330 7.280 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.192 -0.748 5.997 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.671 0.329 5.022 1.00 0.00 C ATOM 2097 CD ARG A 141 -2.489 0.977 4.298 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.953 1.624 3.050 1.00 0.00 N ATOM 2099 CZ ARG A 141 -2.245 2.534 2.367 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -1.036 2.909 2.806 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -2.745 3.068 1.245 1.00 0.00 N ATOM 0 H ARG A 141 -3.200 -2.073 8.585 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.105 0.687 7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.125 -0.923 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.700 -1.688 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.351 -0.112 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -4.233 1.091 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.015 1.715 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.735 0.224 4.068 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.869 1.361 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.655 2.502 3.660 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.497 3.602 2.286 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -3.665 2.782 0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -2.206 3.761 0.726 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.444 0.598 8.445 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.856 0.665 8.783 1.00 0.00 C ATOM 2117 C LYS A 142 -7.545 1.689 7.879 1.00 0.00 C ATOM 2118 O LYS A 142 -7.010 2.771 7.642 1.00 0.00 O ATOM 2119 CB LYS A 142 -7.037 0.942 10.276 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.521 1.010 10.646 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.896 2.404 11.153 1.00 0.00 C ATOM 2122 CE LYS A 142 -10.264 2.387 11.838 1.00 0.00 C ATOM 2123 NZ LYS A 142 -10.296 3.357 12.956 1.00 0.00 N ATOM 0 H LYS A 142 -4.881 1.367 8.808 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.337 -0.296 8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.549 0.159 10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.550 1.882 10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.128 0.760 9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.743 0.268 11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.139 2.756 11.853 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.911 3.106 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.042 2.631 11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.478 1.386 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.231 3.333 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.566 3.107 13.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.113 4.314 12.591 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.721 1.312 7.399 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.488 2.184 6.526 1.00 0.00 C ATOM 2139 C LEU A 143 -10.978 2.022 6.832 1.00 0.00 C ATOM 2140 O LEU A 143 -11.531 0.933 6.680 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.129 1.927 5.062 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.124 2.898 4.437 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -6.810 2.189 4.106 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -8.723 3.596 3.214 1.00 0.00 C ATOM 0 H LEU A 143 -9.161 0.414 7.598 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.236 3.228 6.713 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -8.728 0.917 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.046 1.955 4.473 1.00 0.00 H new ATOM 0 HG LEU A 143 -7.896 3.672 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.114 2.901 3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.378 1.779 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.000 1.381 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -7.988 4.280 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -8.998 2.850 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.610 4.155 3.512 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.586 3.119 7.257 1.00 0.00 N ATOM 2157 CA VAL A 144 -13.001 3.112 7.585 1.00 0.00 C ATOM 2158 C VAL A 144 -13.714 4.196 6.774 1.00 0.00 C ATOM 2159 O VAL A 144 -13.120 5.222 6.446 1.00 0.00 O ATOM 2160 CB VAL A 144 -13.189 3.274 9.095 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -12.886 4.708 9.534 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -14.598 2.857 9.520 1.00 0.00 C ATOM 0 H VAL A 144 -11.124 4.020 7.382 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.451 2.156 7.316 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.480 2.614 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -13.027 4.796 10.611 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -11.855 4.956 9.282 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -13.560 5.395 9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -14.705 2.982 10.598 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -15.332 3.480 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -14.763 1.812 9.258 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.977 3.931 6.474 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.777 4.871 5.707 1.00 0.00 C ATOM 2174 C ARG A 145 -16.619 5.739 6.644 1.00 0.00 C ATOM 2175 O ARG A 145 -16.922 5.335 7.766 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.702 4.139 4.732 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.526 5.132 3.910 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.232 4.429 2.748 1.00 0.00 C ATOM 2179 NE ARG A 145 -18.478 5.389 1.650 1.00 0.00 N ATOM 2180 CZ ARG A 145 -19.047 5.064 0.481 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -19.433 3.801 0.252 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -19.232 6.001 -0.458 1.00 0.00 N ATOM 0 H ARG A 145 -15.466 3.079 6.748 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.094 5.502 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -16.111 3.512 4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.369 3.477 5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -18.264 5.615 4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.876 5.917 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.621 3.601 2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -19.176 4.004 3.089 1.00 0.00 H new ATOM 0 HE ARG A 145 -18.197 6.359 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -19.294 3.087 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -19.866 3.553 -0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -18.940 6.963 -0.284 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -19.665 5.753 -1.348 1.00 0.00 H new