USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 624 LYS NZ :NH3+ -153:sc=-0.00834 (180deg=0) USER MOD Set 1.2: A 628 HIS : no HD1:sc= -2.47! K(o=-2.5!,f=-1.4) USER MOD Set 1.3: A 636 GLN : amide:sc= -0.0329 K(o=-2.5,f=-1.4) USER MOD Single : A 563 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.027) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 566 SER OG : rot 180:sc= 0 USER MOD Single : A 567 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 572 SER OG : rot 180:sc= 0 USER MOD Single : A 573 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 581 SER OG : rot 180:sc= 0 USER MOD Single : A 594 HIS : no HE2:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 597 THR OG1 : rot -75:sc= -0.0506 USER MOD Single : A 604 LYS NZ :NH3+ 141:sc= -0.394 (180deg=-1.25) USER MOD Single : A 605 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -0.756 K(o=-0.76,f=-4.1!) USER MOD Single : A 613 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 615 THR OG1 : rot 130:sc= -3.39! USER MOD Single : A 616 TYR OH : rot 180:sc= 0 USER MOD Single : A 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 622 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 THR OG1 : rot 180:sc= 0 USER MOD Single : A 629 THR OG1 : rot 81:sc= 0.943 USER MOD Single : A 631 SER OG : rot 76:sc= 1.17 USER MOD Single : A 635 GLN : amide:sc= -0.0398 K(o=-0.04,f=-1.6!) USER MOD Single : A 644 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 654 HIS : no HD1:sc= -2.31! C(o=-2.3!,f=-3!) USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 658 SER OG : rot 180:sc= 0 USER MOD Single : A 659 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 660 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 661 GLN : amide:sc= -0.0614 K(o=-0.061,f=-0.73) USER MOD Single : A 663 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 664 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.22) USER MOD Single : A 665 HIS : no HD1:sc=-0.00538 X(o=-0.0054,f=0) USER MOD Single : A 670 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 675 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 678 LYS NZ :NH3+ 158:sc= -0.0682 (180deg=-0.675) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 561 -35.934 24.405 -11.145 1.00 3.00 N ATOM 2 CA PRO A 561 -36.012 23.930 -9.759 1.00 11.02 C ATOM 3 C PRO A 561 -34.668 24.007 -9.044 1.00 43.11 C ATOM 4 O PRO A 561 -33.688 24.510 -9.594 1.00 5.21 O ATOM 5 CB PRO A 561 -36.457 22.473 -9.908 1.00 32.50 C ATOM 6 CG PRO A 561 -35.995 22.073 -11.267 1.00 34.23 C ATOM 7 CD PRO A 561 -36.088 23.310 -12.117 1.00 4.45 C ATOM 0 HA PRO A 561 -36.689 24.537 -9.157 1.00 11.02 H new ATOM 0 HB2 PRO A 561 -36.013 21.843 -9.137 1.00 32.50 H new ATOM 0 HB3 PRO A 561 -37.539 22.378 -9.814 1.00 32.50 H new ATOM 0 HG2 PRO A 561 -34.973 21.697 -11.236 1.00 34.23 H new ATOM 0 HG3 PRO A 561 -36.617 21.274 -11.671 1.00 34.23 H new ATOM 0 HD2 PRO A 561 -35.307 23.335 -12.877 1.00 4.45 H new ATOM 0 HD3 PRO A 561 -37.043 23.368 -12.639 1.00 4.45 H new ATOM 12 N VAL A 562 -34.628 23.505 -7.814 1.00 54.53 N ATOM 13 CA VAL A 562 -33.403 23.516 -7.023 1.00 4.43 C ATOM 14 C VAL A 562 -33.596 22.781 -5.701 1.00 33.12 C ATOM 15 O VAL A 562 -34.508 23.090 -4.936 1.00 4.14 O ATOM 16 CB VAL A 562 -32.933 24.953 -6.735 1.00 72.23 C ATOM 17 CG1 VAL A 562 -34.031 25.746 -6.041 1.00 62.12 C ATOM 18 CG2 VAL A 562 -31.663 24.941 -5.898 1.00 1.52 C ATOM 0 H VAL A 562 -35.430 23.086 -7.344 1.00 54.53 H new ATOM 0 HA VAL A 562 -32.642 23.005 -7.612 1.00 4.43 H new ATOM 0 HB VAL A 562 -32.711 25.440 -7.684 1.00 72.23 H new ATOM 0 HG11 VAL A 562 -33.680 26.759 -5.846 1.00 62.12 H new ATOM 0 HG12 VAL A 562 -34.912 25.784 -6.681 1.00 62.12 H new ATOM 0 HG13 VAL A 562 -34.288 25.263 -5.098 1.00 62.12 H new ATOM 0 HG21 VAL A 562 -31.345 25.965 -5.704 1.00 1.52 H new ATOM 0 HG22 VAL A 562 -31.856 24.436 -4.952 1.00 1.52 H new ATOM 0 HG23 VAL A 562 -30.877 24.413 -6.438 1.00 1.52 H new ATOM 28 N ASN A 563 -32.730 21.808 -5.439 1.00 34.24 N ATOM 29 CA ASN A 563 -32.805 21.028 -4.209 1.00 71.44 C ATOM 30 C ASN A 563 -31.486 21.091 -3.444 1.00 35.01 C ATOM 31 O ASN A 563 -30.505 21.657 -3.926 1.00 73.34 O ATOM 32 CB ASN A 563 -33.155 19.573 -4.523 1.00 2.15 C ATOM 33 CG ASN A 563 -32.314 19.006 -5.650 1.00 12.53 C ATOM 34 OD1 ASN A 563 -31.191 18.552 -5.433 1.00 23.54 O ATOM 35 ND2 ASN A 563 -32.856 19.030 -6.863 1.00 52.31 N ATOM 0 H ASN A 563 -31.968 21.541 -6.062 1.00 34.24 H new ATOM 0 HA ASN A 563 -33.589 21.456 -3.584 1.00 71.44 H new ATOM 0 HB2 ASN A 563 -33.014 18.967 -3.628 1.00 2.15 H new ATOM 0 HB3 ASN A 563 -34.209 19.506 -4.791 1.00 2.15 H new ATOM 0 HD21 ASN A 563 -32.337 18.662 -7.661 1.00 52.31 H new ATOM 0 HD22 ASN A 563 -33.791 19.416 -6.996 1.00 52.31 H new ATOM 41 N GLN A 564 -31.472 20.506 -2.251 1.00 31.00 N ATOM 42 CA GLN A 564 -30.274 20.496 -1.419 1.00 35.44 C ATOM 43 C GLN A 564 -29.853 19.068 -1.088 1.00 54.55 C ATOM 44 O GLN A 564 -30.569 18.113 -1.388 1.00 11.33 O ATOM 45 CB GLN A 564 -30.516 21.283 -0.129 1.00 3.33 C ATOM 46 CG GLN A 564 -31.587 20.674 0.762 1.00 22.34 C ATOM 47 CD GLN A 564 -31.518 21.183 2.188 1.00 72.14 C ATOM 48 OE1 GLN A 564 -30.654 20.774 2.965 1.00 55.42 O ATOM 49 NE2 GLN A 564 -32.430 22.083 2.540 1.00 21.43 N ATOM 0 H GLN A 564 -32.276 20.033 -1.839 1.00 31.00 H new ATOM 0 HA GLN A 564 -29.469 20.971 -1.979 1.00 35.44 H new ATOM 0 HB2 GLN A 564 -29.582 21.345 0.430 1.00 3.33 H new ATOM 0 HB3 GLN A 564 -30.804 22.303 -0.384 1.00 3.33 H new ATOM 0 HG2 GLN A 564 -32.570 20.898 0.347 1.00 22.34 H new ATOM 0 HG3 GLN A 564 -31.481 19.589 0.762 1.00 22.34 H new ATOM 0 HE21 GLN A 564 -33.128 22.394 1.864 1.00 21.43 H new ATOM 0 HE22 GLN A 564 -32.433 22.463 3.486 1.00 21.43 H new ATOM 56 N LYS A 565 -28.688 18.930 -0.465 1.00 33.30 N ATOM 57 CA LYS A 565 -28.171 17.618 -0.091 1.00 35.20 C ATOM 58 C LYS A 565 -27.454 17.681 1.254 1.00 71.32 C ATOM 59 O LYS A 565 -27.005 18.744 1.681 1.00 33.34 O ATOM 60 CB LYS A 565 -27.216 17.099 -1.167 1.00 23.34 C ATOM 61 CG LYS A 565 -27.921 16.593 -2.413 1.00 15.22 C ATOM 62 CD LYS A 565 -28.270 15.119 -2.299 1.00 41.35 C ATOM 63 CE LYS A 565 -29.450 14.754 -3.186 1.00 52.35 C ATOM 64 NZ LYS A 565 -30.191 13.572 -2.666 1.00 4.44 N ATOM 0 H LYS A 565 -28.083 19.710 -0.208 1.00 33.30 H new ATOM 0 HA LYS A 565 -29.014 16.933 -0.002 1.00 35.20 H new ATOM 0 HB2 LYS A 565 -26.529 17.898 -1.447 1.00 23.34 H new ATOM 0 HB3 LYS A 565 -26.613 16.293 -0.748 1.00 23.34 H new ATOM 0 HG2 LYS A 565 -28.830 17.171 -2.577 1.00 15.22 H new ATOM 0 HG3 LYS A 565 -27.282 16.750 -3.282 1.00 15.22 H new ATOM 0 HD2 LYS A 565 -27.405 14.517 -2.577 1.00 41.35 H new ATOM 0 HD3 LYS A 565 -28.505 14.879 -1.262 1.00 41.35 H new ATOM 0 HE2 LYS A 565 -30.128 15.605 -3.257 1.00 52.35 H new ATOM 0 HE3 LYS A 565 -29.095 14.545 -4.195 1.00 52.35 H new ATOM 0 HZ1 LYS A 565 -30.988 13.356 -3.299 1.00 4.44 H new ATOM 0 HZ2 LYS A 565 -29.551 12.753 -2.622 1.00 4.44 H new ATOM 0 HZ3 LYS A 565 -30.552 13.780 -1.713 1.00 4.44 H new ATOM 74 N SER A 566 -27.348 16.533 1.916 1.00 74.52 N ATOM 75 CA SER A 566 -26.686 16.457 3.214 1.00 52.51 C ATOM 76 C SER A 566 -25.546 15.446 3.184 1.00 23.33 C ATOM 77 O SER A 566 -25.599 14.452 2.460 1.00 3.34 O ATOM 78 CB SER A 566 -27.693 16.076 4.301 1.00 53.40 C ATOM 79 OG SER A 566 -28.212 14.776 4.082 1.00 53.23 O ATOM 0 H SER A 566 -27.712 15.643 1.575 1.00 74.52 H new ATOM 0 HA SER A 566 -26.271 17.439 3.441 1.00 52.51 H new ATOM 0 HB2 SER A 566 -27.212 16.119 5.278 1.00 53.40 H new ATOM 0 HB3 SER A 566 -28.509 16.799 4.315 1.00 53.40 H new ATOM 0 HG SER A 566 -28.852 14.555 4.791 1.00 53.23 H new ATOM 84 N LYS A 567 -24.511 15.707 3.976 1.00 70.21 N ATOM 85 CA LYS A 567 -23.356 14.820 4.044 1.00 33.52 C ATOM 86 C LYS A 567 -22.930 14.590 5.490 1.00 72.22 C ATOM 87 O LYS A 567 -23.560 15.094 6.420 1.00 72.22 O ATOM 88 CB LYS A 567 -22.189 15.407 3.244 1.00 44.52 C ATOM 89 CG LYS A 567 -22.329 15.224 1.743 1.00 62.22 C ATOM 90 CD LYS A 567 -21.464 16.213 0.979 1.00 24.12 C ATOM 91 CE LYS A 567 -19.999 15.807 1.004 1.00 34.23 C ATOM 92 NZ LYS A 567 -19.137 16.797 0.300 1.00 22.42 N ATOM 0 H LYS A 567 -24.449 16.527 4.580 1.00 70.21 H new ATOM 0 HA LYS A 567 -23.640 13.861 3.611 1.00 33.52 H new ATOM 0 HB2 LYS A 567 -22.106 16.471 3.466 1.00 44.52 H new ATOM 0 HB3 LYS A 567 -21.261 14.939 3.574 1.00 44.52 H new ATOM 0 HG2 LYS A 567 -22.047 14.207 1.471 1.00 62.22 H new ATOM 0 HG3 LYS A 567 -23.372 15.353 1.455 1.00 62.22 H new ATOM 0 HD2 LYS A 567 -21.807 16.277 -0.054 1.00 24.12 H new ATOM 0 HD3 LYS A 567 -21.575 17.206 1.414 1.00 24.12 H new ATOM 0 HE2 LYS A 567 -19.667 15.707 2.038 1.00 34.23 H new ATOM 0 HE3 LYS A 567 -19.885 14.829 0.537 1.00 34.23 H new ATOM 0 HZ1 LYS A 567 -18.146 16.484 0.339 1.00 22.42 H new ATOM 0 HZ2 LYS A 567 -19.437 16.874 -0.693 1.00 22.42 H new ATOM 0 HZ3 LYS A 567 -19.226 17.725 0.762 1.00 22.42 H new ATOM 102 N ARG A 568 -21.856 13.829 5.672 1.00 64.01 N ATOM 103 CA ARG A 568 -21.345 13.533 7.006 1.00 3.54 C ATOM 104 C ARG A 568 -20.254 14.522 7.402 1.00 20.31 C ATOM 105 O ARG A 568 -19.568 15.080 6.546 1.00 55.14 O ATOM 106 CB ARG A 568 -20.800 12.104 7.061 1.00 73.21 C ATOM 107 CG ARG A 568 -21.827 11.046 6.696 1.00 25.11 C ATOM 108 CD ARG A 568 -22.570 10.543 7.925 1.00 35.12 C ATOM 109 NE ARG A 568 -23.571 9.536 7.585 1.00 2.32 N ATOM 110 CZ ARG A 568 -23.279 8.265 7.335 1.00 41.12 C ATOM 111 NH1 ARG A 568 -22.022 7.847 7.387 1.00 50.22 N ATOM 112 NH2 ARG A 568 -24.247 7.408 7.033 1.00 22.24 N ATOM 0 H ARG A 568 -21.322 13.406 4.913 1.00 64.01 H new ATOM 0 HA ARG A 568 -22.169 13.627 7.713 1.00 3.54 H new ATOM 0 HB2 ARG A 568 -19.950 12.022 6.384 1.00 73.21 H new ATOM 0 HB3 ARG A 568 -20.427 11.905 8.066 1.00 73.21 H new ATOM 0 HG2 ARG A 568 -22.540 11.460 5.983 1.00 25.11 H new ATOM 0 HG3 ARG A 568 -21.331 10.211 6.202 1.00 25.11 H new ATOM 0 HD2 ARG A 568 -21.856 10.120 8.632 1.00 35.12 H new ATOM 0 HD3 ARG A 568 -23.055 11.382 8.424 1.00 35.12 H new ATOM 0 HE ARG A 568 -24.548 9.825 7.537 1.00 2.32 H new ATOM 0 HH11 ARG A 568 -21.276 8.502 7.620 1.00 50.22 H new ATOM 0 HH12 ARG A 568 -21.801 6.870 7.194 1.00 50.22 H new ATOM 0 HH21 ARG A 568 -25.215 7.726 6.993 1.00 22.24 H new ATOM 0 HH22 ARG A 568 -24.022 6.432 6.841 1.00 22.24 H new ATOM 123 N SER A 569 -20.099 14.734 8.705 1.00 44.12 N ATOM 124 CA SER A 569 -19.094 15.659 9.214 1.00 72.05 C ATOM 125 C SER A 569 -18.062 14.925 10.066 1.00 50.05 C ATOM 126 O SER A 569 -18.361 13.898 10.674 1.00 52.31 O ATOM 127 CB SER A 569 -19.759 16.764 10.038 1.00 35.30 C ATOM 128 OG SER A 569 -18.845 17.331 10.962 1.00 63.00 O ATOM 0 H SER A 569 -20.657 14.278 9.427 1.00 44.12 H new ATOM 0 HA SER A 569 -18.583 16.108 8.362 1.00 72.05 H new ATOM 0 HB2 SER A 569 -20.137 17.540 9.373 1.00 35.30 H new ATOM 0 HB3 SER A 569 -20.617 16.357 10.573 1.00 35.30 H new ATOM 0 HG SER A 569 -19.293 18.035 11.475 1.00 63.00 H new ATOM 133 N GLU A 570 -16.846 15.461 10.104 1.00 42.20 N ATOM 134 CA GLU A 570 -15.769 14.857 10.879 1.00 53.10 C ATOM 135 C GLU A 570 -15.868 15.257 12.349 1.00 23.50 C ATOM 136 O GLU A 570 -16.624 16.159 12.710 1.00 3.10 O ATOM 137 CB GLU A 570 -14.409 15.273 10.316 1.00 0.21 C ATOM 138 CG GLU A 570 -13.289 14.301 10.648 1.00 43.52 C ATOM 139 CD GLU A 570 -12.219 14.254 9.574 1.00 2.50 C ATOM 140 OE1 GLU A 570 -12.074 15.253 8.840 1.00 14.34 O ATOM 141 OE2 GLU A 570 -11.528 13.220 9.469 1.00 0.41 O ATOM 0 H GLU A 570 -16.582 16.312 9.607 1.00 42.20 H new ATOM 0 HA GLU A 570 -15.867 13.774 10.807 1.00 53.10 H new ATOM 0 HB2 GLU A 570 -14.487 15.368 9.233 1.00 0.21 H new ATOM 0 HB3 GLU A 570 -14.151 16.258 10.704 1.00 0.21 H new ATOM 0 HG2 GLU A 570 -12.834 14.587 11.596 1.00 43.52 H new ATOM 0 HG3 GLU A 570 -13.707 13.303 10.783 1.00 43.52 H new ATOM 146 N LEU A 571 -15.096 14.579 13.192 1.00 74.05 N ATOM 147 CA LEU A 571 -15.095 14.863 14.624 1.00 3.13 C ATOM 148 C LEU A 571 -13.675 15.091 15.132 1.00 54.23 C ATOM 149 O LEU A 571 -13.333 16.190 15.572 1.00 4.14 O ATOM 150 CB LEU A 571 -15.744 13.710 15.392 1.00 1.13 C ATOM 151 CG LEU A 571 -16.349 14.065 16.751 1.00 55.10 C ATOM 152 CD1 LEU A 571 -17.631 14.863 16.572 1.00 70.34 C ATOM 153 CD2 LEU A 571 -16.610 12.806 17.564 1.00 44.42 C ATOM 0 H LEU A 571 -14.464 13.830 12.910 1.00 74.05 H new ATOM 0 HA LEU A 571 -15.672 15.773 14.790 1.00 3.13 H new ATOM 0 HB2 LEU A 571 -16.528 13.281 14.769 1.00 1.13 H new ATOM 0 HB3 LEU A 571 -14.995 12.933 15.542 1.00 1.13 H new ATOM 0 HG LEU A 571 -15.635 14.682 17.296 1.00 55.10 H new ATOM 0 HD11 LEU A 571 -18.047 15.107 17.549 1.00 70.34 H new ATOM 0 HD12 LEU A 571 -17.414 15.784 16.030 1.00 70.34 H new ATOM 0 HD13 LEU A 571 -18.352 14.271 16.008 1.00 70.34 H new ATOM 0 HD21 LEU A 571 -17.040 13.078 18.528 1.00 44.42 H new ATOM 0 HD22 LEU A 571 -17.305 12.162 17.025 1.00 44.42 H new ATOM 0 HD23 LEU A 571 -15.672 12.274 17.723 1.00 44.42 H new ATOM 164 N SER A 572 -12.853 14.049 15.067 1.00 14.13 N ATOM 165 CA SER A 572 -11.471 14.137 15.522 1.00 63.35 C ATOM 166 C SER A 572 -10.512 13.637 14.446 1.00 70.22 C ATOM 167 O SER A 572 -10.936 13.087 13.430 1.00 33.52 O ATOM 168 CB SER A 572 -11.282 13.327 16.806 1.00 45.13 C ATOM 169 OG SER A 572 -12.073 13.850 17.860 1.00 22.25 O ATOM 0 H SER A 572 -13.120 13.134 14.704 1.00 14.13 H new ATOM 0 HA SER A 572 -11.247 15.184 15.725 1.00 63.35 H new ATOM 0 HB2 SER A 572 -11.552 12.286 16.626 1.00 45.13 H new ATOM 0 HB3 SER A 572 -10.231 13.338 17.096 1.00 45.13 H new ATOM 0 HG SER A 572 -11.936 13.314 18.669 1.00 22.25 H new ATOM 174 N GLN A 573 -9.218 13.831 14.679 1.00 14.10 N ATOM 175 CA GLN A 573 -8.199 13.401 13.730 1.00 20.53 C ATOM 176 C GLN A 573 -6.799 13.619 14.297 1.00 43.22 C ATOM 177 O GLN A 573 -6.556 14.586 15.019 1.00 34.14 O ATOM 178 CB GLN A 573 -8.350 14.158 12.409 1.00 34.44 C ATOM 179 CG GLN A 573 -7.683 13.465 11.231 1.00 2.03 C ATOM 180 CD GLN A 573 -7.420 14.406 10.073 1.00 33.21 C ATOM 181 OE1 GLN A 573 -6.363 15.034 9.996 1.00 35.10 O ATOM 182 NE2 GLN A 573 -8.382 14.510 9.162 1.00 62.24 N ATOM 0 H GLN A 573 -8.851 14.283 15.516 1.00 14.10 H new ATOM 0 HA GLN A 573 -8.336 12.335 13.548 1.00 20.53 H new ATOM 0 HB2 GLN A 573 -9.411 14.285 12.192 1.00 34.44 H new ATOM 0 HB3 GLN A 573 -7.925 15.156 12.521 1.00 34.44 H new ATOM 0 HG2 GLN A 573 -6.741 13.026 11.559 1.00 2.03 H new ATOM 0 HG3 GLN A 573 -8.315 12.645 10.891 1.00 2.03 H new ATOM 0 HE21 GLN A 573 -9.242 13.971 9.265 1.00 62.24 H new ATOM 0 HE22 GLN A 573 -8.260 15.128 8.360 1.00 62.24 H new ATOM 189 N ARG A 574 -5.885 12.714 13.966 1.00 2.02 N ATOM 190 CA ARG A 574 -4.510 12.807 14.444 1.00 4.53 C ATOM 191 C ARG A 574 -3.527 12.380 13.357 1.00 54.34 C ATOM 192 O ARG A 574 -3.737 11.378 12.675 1.00 33.44 O ATOM 193 CB ARG A 574 -4.322 11.936 15.688 1.00 34.53 C ATOM 194 CG ARG A 574 -5.063 12.451 16.911 1.00 2.14 C ATOM 195 CD ARG A 574 -4.191 13.380 17.741 1.00 44.51 C ATOM 196 NE ARG A 574 -4.766 13.636 19.059 1.00 73.55 N ATOM 197 CZ ARG A 574 -4.184 14.397 19.979 1.00 34.13 C ATOM 198 NH1 ARG A 574 -3.018 14.976 19.725 1.00 64.31 N ATOM 199 NH2 ARG A 574 -4.768 14.583 21.156 1.00 1.54 N ATOM 0 H ARG A 574 -6.071 11.908 13.369 1.00 2.02 H new ATOM 0 HA ARG A 574 -4.310 13.847 14.702 1.00 4.53 H new ATOM 0 HB2 ARG A 574 -4.662 10.924 15.467 1.00 34.53 H new ATOM 0 HB3 ARG A 574 -3.259 11.872 15.919 1.00 34.53 H new ATOM 0 HG2 ARG A 574 -5.963 12.979 16.597 1.00 2.14 H new ATOM 0 HG3 ARG A 574 -5.385 11.609 17.524 1.00 2.14 H new ATOM 0 HD2 ARG A 574 -3.200 12.940 17.857 1.00 44.51 H new ATOM 0 HD3 ARG A 574 -4.061 14.324 17.212 1.00 44.51 H new ATOM 0 HE ARG A 574 -5.663 13.207 19.285 1.00 73.55 H new ATOM 0 HH11 ARG A 574 -2.566 14.837 18.821 1.00 64.31 H new ATOM 0 HH12 ARG A 574 -2.573 15.560 20.433 1.00 64.31 H new ATOM 0 HH21 ARG A 574 -5.665 14.141 21.356 1.00 1.54 H new ATOM 0 HH22 ARG A 574 -4.319 15.168 21.861 1.00 1.54 H new ATOM 210 N ARG A 575 -2.454 13.149 13.204 1.00 2.11 N ATOM 211 CA ARG A 575 -1.439 12.853 12.200 1.00 13.15 C ATOM 212 C ARG A 575 -0.251 13.799 12.332 1.00 71.34 C ATOM 213 O ARG A 575 -0.409 14.963 12.702 1.00 15.25 O ATOM 214 CB ARG A 575 -2.035 12.959 10.794 1.00 63.22 C ATOM 215 CG ARG A 575 -1.134 12.400 9.707 1.00 34.31 C ATOM 216 CD ARG A 575 -1.560 12.880 8.328 1.00 20.11 C ATOM 217 NE ARG A 575 -1.563 14.337 8.233 1.00 53.32 N ATOM 218 CZ ARG A 575 -2.196 15.009 7.278 1.00 15.21 C ATOM 219 NH1 ARG A 575 -2.873 14.359 6.342 1.00 3.03 N ATOM 220 NH2 ARG A 575 -2.153 16.335 7.259 1.00 35.33 N ATOM 0 H ARG A 575 -2.265 13.981 13.762 1.00 2.11 H new ATOM 0 HA ARG A 575 -1.089 11.834 12.364 1.00 13.15 H new ATOM 0 HB2 ARG A 575 -2.988 12.430 10.772 1.00 63.22 H new ATOM 0 HB3 ARG A 575 -2.246 14.006 10.576 1.00 63.22 H new ATOM 0 HG2 ARG A 575 -0.104 12.702 9.896 1.00 34.31 H new ATOM 0 HG3 ARG A 575 -1.158 11.311 9.738 1.00 34.31 H new ATOM 0 HD2 ARG A 575 -0.886 12.469 7.577 1.00 20.11 H new ATOM 0 HD3 ARG A 575 -2.557 12.500 8.104 1.00 20.11 H new ATOM 0 HE ARG A 575 -1.051 14.867 8.938 1.00 53.32 H new ATOM 0 HH11 ARG A 575 -2.909 13.340 6.354 1.00 3.03 H new ATOM 0 HH12 ARG A 575 -3.358 14.878 5.610 1.00 3.03 H new ATOM 0 HH21 ARG A 575 -1.634 16.839 7.978 1.00 35.33 H new ATOM 0 HH22 ARG A 575 -2.639 16.851 6.525 1.00 35.33 H new ATOM 231 N ILE A 576 0.940 13.292 12.030 1.00 35.32 N ATOM 232 CA ILE A 576 2.155 14.092 12.115 1.00 35.31 C ATOM 233 C ILE A 576 2.819 14.230 10.749 1.00 70.54 C ATOM 234 O ILE A 576 3.409 15.264 10.435 1.00 51.24 O ATOM 235 CB ILE A 576 3.164 13.481 13.105 1.00 12.23 C ATOM 236 CG1 ILE A 576 4.396 14.379 13.231 1.00 40.44 C ATOM 237 CG2 ILE A 576 3.565 12.083 12.657 1.00 42.43 C ATOM 238 CD1 ILE A 576 5.073 14.291 14.582 1.00 2.02 C ATOM 0 H ILE A 576 1.089 12.330 11.724 1.00 35.32 H new ATOM 0 HA ILE A 576 1.859 15.078 12.474 1.00 35.31 H new ATOM 0 HB ILE A 576 2.690 13.406 14.084 1.00 12.23 H new ATOM 0 HG12 ILE A 576 5.113 14.109 12.456 1.00 40.44 H new ATOM 0 HG13 ILE A 576 4.103 15.413 13.047 1.00 40.44 H new ATOM 0 HG21 ILE A 576 4.278 11.664 13.367 1.00 42.43 H new ATOM 0 HG22 ILE A 576 2.681 11.447 12.613 1.00 42.43 H new ATOM 0 HG23 ILE A 576 4.023 12.135 11.669 1.00 42.43 H new ATOM 0 HD11 ILE A 576 5.938 14.954 14.599 1.00 2.02 H new ATOM 0 HD12 ILE A 576 4.371 14.590 15.361 1.00 2.02 H new ATOM 0 HD13 ILE A 576 5.398 13.266 14.760 1.00 2.02 H new ATOM 249 N ARG A 577 2.719 13.181 9.940 1.00 11.03 N ATOM 250 CA ARG A 577 3.310 13.185 8.607 1.00 2.31 C ATOM 251 C ARG A 577 2.268 13.546 7.552 1.00 10.23 C ATOM 252 O ARG A 577 1.160 13.971 7.880 1.00 24.25 O ATOM 253 CB ARG A 577 3.917 11.817 8.292 1.00 24.14 C ATOM 254 CG ARG A 577 4.738 11.238 9.432 1.00 23.51 C ATOM 255 CD ARG A 577 5.857 12.180 9.848 1.00 73.21 C ATOM 256 NE ARG A 577 6.821 12.394 8.772 1.00 61.02 N ATOM 257 CZ ARG A 577 8.013 12.951 8.954 1.00 13.12 C ATOM 258 NH1 ARG A 577 8.385 13.349 10.162 1.00 25.34 N ATOM 259 NH2 ARG A 577 8.835 13.112 7.924 1.00 65.33 N ATOM 0 H ARG A 577 2.234 12.317 10.184 1.00 11.03 H new ATOM 0 HA ARG A 577 4.098 13.938 8.588 1.00 2.31 H new ATOM 0 HB2 ARG A 577 3.115 11.122 8.043 1.00 24.14 H new ATOM 0 HB3 ARG A 577 4.549 11.904 7.408 1.00 24.14 H new ATOM 0 HG2 ARG A 577 4.089 11.042 10.286 1.00 23.51 H new ATOM 0 HG3 ARG A 577 5.161 10.281 9.127 1.00 23.51 H new ATOM 0 HD2 ARG A 577 5.432 13.137 10.149 1.00 73.21 H new ATOM 0 HD3 ARG A 577 6.370 11.771 10.718 1.00 73.21 H new ATOM 0 HE ARG A 577 6.565 12.100 7.830 1.00 61.02 H new ATOM 0 HH11 ARG A 577 7.755 13.228 10.955 1.00 25.34 H new ATOM 0 HH12 ARG A 577 9.301 13.776 10.299 1.00 25.34 H new ATOM 0 HH21 ARG A 577 8.551 12.808 6.993 1.00 65.33 H new ATOM 0 HH22 ARG A 577 9.750 13.540 8.064 1.00 65.33 H new ATOM 270 N ARG A 578 2.632 13.373 6.285 1.00 73.44 N ATOM 271 CA ARG A 578 1.731 13.684 5.183 1.00 2.25 C ATOM 272 C ARG A 578 1.342 12.417 4.425 1.00 64.32 C ATOM 273 O ARG A 578 2.034 11.399 4.474 1.00 34.33 O ATOM 274 CB ARG A 578 2.385 14.682 4.226 1.00 14.23 C ATOM 275 CG ARG A 578 3.865 14.425 3.997 1.00 34.31 C ATOM 276 CD ARG A 578 4.097 13.110 3.269 1.00 35.05 C ATOM 277 NE ARG A 578 5.177 13.209 2.292 1.00 32.31 N ATOM 278 CZ ARG A 578 5.824 12.157 1.802 1.00 70.53 C ATOM 279 NH1 ARG A 578 5.501 10.934 2.198 1.00 23.52 N ATOM 280 NH2 ARG A 578 6.797 12.328 0.916 1.00 14.33 N ATOM 0 H ARG A 578 3.544 13.019 5.997 1.00 73.44 H new ATOM 0 HA ARG A 578 0.828 14.130 5.600 1.00 2.25 H new ATOM 0 HB2 ARG A 578 1.866 14.647 3.268 1.00 14.23 H new ATOM 0 HB3 ARG A 578 2.257 15.690 4.622 1.00 14.23 H new ATOM 0 HG2 ARG A 578 4.292 15.243 3.417 1.00 34.31 H new ATOM 0 HG3 ARG A 578 4.385 14.408 4.955 1.00 34.31 H new ATOM 0 HD2 ARG A 578 4.334 12.331 3.994 1.00 35.05 H new ATOM 0 HD3 ARG A 578 3.179 12.808 2.765 1.00 35.05 H new ATOM 0 HE ARG A 578 5.450 14.137 1.968 1.00 32.31 H new ATOM 0 HH11 ARG A 578 4.755 10.799 2.880 1.00 23.52 H new ATOM 0 HH12 ARG A 578 5.999 10.128 1.821 1.00 23.52 H new ATOM 0 HH21 ARG A 578 7.049 13.268 0.610 1.00 14.33 H new ATOM 0 HH22 ARG A 578 7.293 11.520 0.541 1.00 14.33 H new ATOM 291 N PRO A 579 0.210 12.478 3.710 1.00 2.41 N ATOM 292 CA PRO A 579 -0.296 11.345 2.929 1.00 60.25 C ATOM 293 C PRO A 579 0.572 11.047 1.712 1.00 64.22 C ATOM 294 O PRO A 579 1.292 11.917 1.222 1.00 61.10 O ATOM 295 CB PRO A 579 -1.688 11.808 2.493 1.00 13.33 C ATOM 296 CG PRO A 579 -1.610 13.295 2.497 1.00 12.42 C ATOM 297 CD PRO A 579 -0.664 13.659 3.607 1.00 45.21 C ATOM 0 HA PRO A 579 -0.301 10.421 3.507 1.00 60.25 H new ATOM 0 HB2 PRO A 579 -1.940 11.427 1.503 1.00 13.33 H new ATOM 0 HB3 PRO A 579 -2.457 11.450 3.178 1.00 13.33 H new ATOM 0 HG2 PRO A 579 -1.249 13.669 1.539 1.00 12.42 H new ATOM 0 HG3 PRO A 579 -2.593 13.737 2.662 1.00 12.42 H new ATOM 0 HD2 PRO A 579 -0.097 14.560 3.373 1.00 45.21 H new ATOM 0 HD3 PRO A 579 -1.194 13.850 4.540 1.00 45.21 H new ATOM 302 N PHE A 580 0.500 9.811 1.227 1.00 4.21 N ATOM 303 CA PHE A 580 1.280 9.397 0.067 1.00 0.42 C ATOM 304 C PHE A 580 0.487 9.597 -1.222 1.00 42.35 C ATOM 305 O PHE A 580 -0.732 9.424 -1.246 1.00 73.12 O ATOM 306 CB PHE A 580 1.695 7.930 0.201 1.00 53.23 C ATOM 307 CG PHE A 580 2.993 7.740 0.931 1.00 23.50 C ATOM 308 CD1 PHE A 580 3.185 8.291 2.189 1.00 3.15 C ATOM 309 CD2 PHE A 580 4.023 7.010 0.360 1.00 62.44 C ATOM 310 CE1 PHE A 580 4.378 8.117 2.861 1.00 72.44 C ATOM 311 CE2 PHE A 580 5.221 6.832 1.029 1.00 40.51 C ATOM 312 CZ PHE A 580 5.397 7.386 2.282 1.00 31.33 C ATOM 0 H PHE A 580 -0.091 9.079 1.620 1.00 4.21 H new ATOM 0 HA PHE A 580 2.175 10.018 0.023 1.00 0.42 H new ATOM 0 HB2 PHE A 580 0.910 7.385 0.724 1.00 53.23 H new ATOM 0 HB3 PHE A 580 1.779 7.492 -0.794 1.00 53.23 H new ATOM 0 HD1 PHE A 580 2.392 8.863 2.648 1.00 3.15 H new ATOM 0 HD2 PHE A 580 3.889 6.575 -0.619 1.00 62.44 H new ATOM 0 HE1 PHE A 580 4.515 8.553 3.840 1.00 72.44 H new ATOM 0 HE2 PHE A 580 6.016 6.261 0.573 1.00 40.51 H new ATOM 0 HZ PHE A 580 6.330 7.248 2.808 1.00 31.33 H new ATOM 321 N SER A 581 1.186 9.964 -2.290 1.00 32.30 N ATOM 322 CA SER A 581 0.549 10.192 -3.580 1.00 11.44 C ATOM 323 C SER A 581 0.114 8.873 -4.213 1.00 62.32 C ATOM 324 O SER A 581 0.642 7.810 -3.884 1.00 70.41 O ATOM 325 CB SER A 581 1.501 10.932 -4.521 1.00 0.13 C ATOM 326 OG SER A 581 2.271 11.891 -3.816 1.00 65.11 O ATOM 0 H SER A 581 2.195 10.110 -2.287 1.00 32.30 H new ATOM 0 HA SER A 581 -0.337 10.806 -3.415 1.00 11.44 H new ATOM 0 HB2 SER A 581 2.163 10.217 -5.010 1.00 0.13 H new ATOM 0 HB3 SER A 581 0.930 11.426 -5.307 1.00 0.13 H new ATOM 0 HG SER A 581 2.873 12.349 -4.439 1.00 65.11 H new ATOM 331 N VAL A 582 -0.851 8.949 -5.123 1.00 31.54 N ATOM 332 CA VAL A 582 -1.356 7.762 -5.804 1.00 54.24 C ATOM 333 C VAL A 582 -0.217 6.945 -6.401 1.00 72.52 C ATOM 334 O VAL A 582 -0.242 5.715 -6.374 1.00 34.53 O ATOM 335 CB VAL A 582 -2.347 8.136 -6.922 1.00 14.41 C ATOM 336 CG1 VAL A 582 -3.649 8.655 -6.331 1.00 64.15 C ATOM 337 CG2 VAL A 582 -1.731 9.165 -7.858 1.00 63.23 C ATOM 0 H VAL A 582 -1.299 9.820 -5.406 1.00 31.54 H new ATOM 0 HA VAL A 582 -1.874 7.163 -5.055 1.00 54.24 H new ATOM 0 HB VAL A 582 -2.570 7.239 -7.500 1.00 14.41 H new ATOM 0 HG11 VAL A 582 -4.336 8.914 -7.136 1.00 64.15 H new ATOM 0 HG12 VAL A 582 -4.098 7.883 -5.705 1.00 64.15 H new ATOM 0 HG13 VAL A 582 -3.447 9.540 -5.727 1.00 64.15 H new ATOM 0 HG21 VAL A 582 -2.445 9.418 -8.642 1.00 63.23 H new ATOM 0 HG22 VAL A 582 -1.477 10.063 -7.295 1.00 63.23 H new ATOM 0 HG23 VAL A 582 -0.828 8.753 -8.309 1.00 63.23 H new ATOM 347 N ALA A 583 0.781 7.637 -6.941 1.00 71.34 N ATOM 348 CA ALA A 583 1.932 6.975 -7.543 1.00 74.43 C ATOM 349 C ALA A 583 2.795 6.300 -6.482 1.00 72.24 C ATOM 350 O ALA A 583 3.323 5.210 -6.700 1.00 75.13 O ATOM 351 CB ALA A 583 2.757 7.974 -8.340 1.00 31.05 C ATOM 0 H ALA A 583 0.816 8.656 -6.974 1.00 71.34 H new ATOM 0 HA ALA A 583 1.564 6.203 -8.219 1.00 74.43 H new ATOM 0 HB1 ALA A 583 3.613 7.467 -8.784 1.00 31.05 H new ATOM 0 HB2 ALA A 583 2.142 8.406 -9.129 1.00 31.05 H new ATOM 0 HB3 ALA A 583 3.108 8.766 -7.678 1.00 31.05 H new ATOM 357 N GLU A 584 2.933 6.957 -5.333 1.00 23.41 N ATOM 358 CA GLU A 584 3.734 6.419 -4.240 1.00 70.01 C ATOM 359 C GLU A 584 3.041 5.223 -3.595 1.00 44.44 C ATOM 360 O GLU A 584 3.614 4.137 -3.496 1.00 34.12 O ATOM 361 CB GLU A 584 3.994 7.501 -3.188 1.00 1.24 C ATOM 362 CG GLU A 584 4.652 8.749 -3.750 1.00 52.24 C ATOM 363 CD GLU A 584 6.120 8.850 -3.384 1.00 60.15 C ATOM 364 OE1 GLU A 584 6.456 8.602 -2.207 1.00 13.10 O ATOM 365 OE2 GLU A 584 6.933 9.176 -4.274 1.00 10.44 O ATOM 0 H GLU A 584 2.501 7.860 -5.136 1.00 23.41 H new ATOM 0 HA GLU A 584 4.687 6.086 -4.652 1.00 70.01 H new ATOM 0 HB2 GLU A 584 3.048 7.777 -2.722 1.00 1.24 H new ATOM 0 HB3 GLU A 584 4.628 7.088 -2.403 1.00 1.24 H new ATOM 0 HG2 GLU A 584 4.551 8.751 -4.835 1.00 52.24 H new ATOM 0 HG3 GLU A 584 4.128 9.630 -3.380 1.00 52.24 H new ATOM 370 N VAL A 585 1.803 5.430 -3.155 1.00 64.43 N ATOM 371 CA VAL A 585 1.031 4.370 -2.518 1.00 0.34 C ATOM 372 C VAL A 585 0.835 3.190 -3.464 1.00 22.33 C ATOM 373 O VAL A 585 0.788 2.039 -3.033 1.00 63.35 O ATOM 374 CB VAL A 585 -0.348 4.880 -2.058 1.00 4.21 C ATOM 375 CG1 VAL A 585 -1.058 5.598 -3.195 1.00 5.35 C ATOM 376 CG2 VAL A 585 -1.193 3.728 -1.534 1.00 73.54 C ATOM 0 H VAL A 585 1.314 6.322 -3.228 1.00 64.43 H new ATOM 0 HA VAL A 585 1.599 4.043 -1.647 1.00 0.34 H new ATOM 0 HB VAL A 585 -0.201 5.592 -1.246 1.00 4.21 H new ATOM 0 HG11 VAL A 585 -2.030 5.951 -2.851 1.00 5.35 H new ATOM 0 HG12 VAL A 585 -0.457 6.448 -3.520 1.00 5.35 H new ATOM 0 HG13 VAL A 585 -1.196 4.911 -4.030 1.00 5.35 H new ATOM 0 HG21 VAL A 585 -2.164 4.105 -1.213 1.00 73.54 H new ATOM 0 HG22 VAL A 585 -1.333 2.991 -2.325 1.00 73.54 H new ATOM 0 HG23 VAL A 585 -0.688 3.261 -0.688 1.00 73.54 H new ATOM 386 N GLU A 586 0.722 3.485 -4.755 1.00 54.11 N ATOM 387 CA GLU A 586 0.531 2.448 -5.762 1.00 31.21 C ATOM 388 C GLU A 586 1.574 1.345 -5.610 1.00 22.13 C ATOM 389 O GLU A 586 1.314 0.183 -5.923 1.00 51.12 O ATOM 390 CB GLU A 586 0.608 3.049 -7.167 1.00 31.21 C ATOM 391 CG GLU A 586 -0.749 3.257 -7.815 1.00 0.24 C ATOM 392 CD GLU A 586 -0.696 4.222 -8.984 1.00 61.12 C ATOM 393 OE1 GLU A 586 0.422 4.539 -9.441 1.00 54.20 O ATOM 394 OE2 GLU A 586 -1.773 4.659 -9.441 1.00 31.21 O ATOM 0 H GLU A 586 0.759 4.434 -5.128 1.00 54.11 H new ATOM 0 HA GLU A 586 -0.457 2.013 -5.616 1.00 31.21 H new ATOM 0 HB2 GLU A 586 1.127 4.006 -7.116 1.00 31.21 H new ATOM 0 HB3 GLU A 586 1.207 2.395 -7.800 1.00 31.21 H new ATOM 0 HG2 GLU A 586 -1.134 2.297 -8.158 1.00 0.24 H new ATOM 0 HG3 GLU A 586 -1.450 3.633 -7.070 1.00 0.24 H new ATOM 399 N ALA A 587 2.755 1.717 -5.129 1.00 24.34 N ATOM 400 CA ALA A 587 3.838 0.760 -4.935 1.00 44.24 C ATOM 401 C ALA A 587 3.633 -0.049 -3.658 1.00 11.11 C ATOM 402 O ALA A 587 3.929 -1.243 -3.613 1.00 20.10 O ATOM 403 CB ALA A 587 5.178 1.479 -4.897 1.00 32.10 C ATOM 0 H ALA A 587 2.987 2.675 -4.866 1.00 24.34 H new ATOM 0 HA ALA A 587 3.834 0.068 -5.777 1.00 44.24 H new ATOM 0 HB1 ALA A 587 5.977 0.752 -4.752 1.00 32.10 H new ATOM 0 HB2 ALA A 587 5.334 2.007 -5.838 1.00 32.10 H new ATOM 0 HB3 ALA A 587 5.184 2.194 -4.074 1.00 32.10 H new ATOM 409 N LEU A 588 3.124 0.609 -2.622 1.00 40.13 N ATOM 410 CA LEU A 588 2.880 -0.048 -1.343 1.00 71.31 C ATOM 411 C LEU A 588 1.964 -1.256 -1.518 1.00 73.43 C ATOM 412 O LEU A 588 2.264 -2.349 -1.037 1.00 1.12 O ATOM 413 CB LEU A 588 2.260 0.937 -0.351 1.00 41.30 C ATOM 414 CG LEU A 588 2.543 0.668 1.128 1.00 53.45 C ATOM 415 CD1 LEU A 588 2.243 -0.782 1.474 1.00 21.34 C ATOM 416 CD2 LEU A 588 3.986 1.013 1.466 1.00 24.03 C ATOM 0 H LEU A 588 2.872 1.597 -2.643 1.00 40.13 H new ATOM 0 HA LEU A 588 3.837 -0.394 -0.952 1.00 71.31 H new ATOM 0 HB2 LEU A 588 2.617 1.938 -0.592 1.00 41.30 H new ATOM 0 HB3 LEU A 588 1.180 0.940 -0.499 1.00 41.30 H new ATOM 0 HG LEU A 588 1.890 1.304 1.725 1.00 53.45 H new ATOM 0 HD11 LEU A 588 2.450 -0.954 2.530 1.00 21.34 H new ATOM 0 HD12 LEU A 588 1.194 -0.995 1.271 1.00 21.34 H new ATOM 0 HD13 LEU A 588 2.870 -1.438 0.869 1.00 21.34 H new ATOM 0 HD21 LEU A 588 4.170 0.815 2.522 1.00 24.03 H new ATOM 0 HD22 LEU A 588 4.657 0.404 0.861 1.00 24.03 H new ATOM 0 HD23 LEU A 588 4.166 2.068 1.257 1.00 24.03 H new ATOM 427 N VAL A 589 0.849 -1.051 -2.210 1.00 43.34 N ATOM 428 CA VAL A 589 -0.109 -2.124 -2.451 1.00 54.30 C ATOM 429 C VAL A 589 0.460 -3.163 -3.409 1.00 11.04 C ATOM 430 O VAL A 589 0.506 -4.352 -3.095 1.00 42.22 O ATOM 431 CB VAL A 589 -1.429 -1.578 -3.028 1.00 51.34 C ATOM 432 CG1 VAL A 589 -2.470 -2.683 -3.117 1.00 22.11 C ATOM 433 CG2 VAL A 589 -1.940 -0.420 -2.184 1.00 75.12 C ATOM 0 H VAL A 589 0.586 -0.152 -2.614 1.00 43.34 H new ATOM 0 HA VAL A 589 -0.308 -2.593 -1.488 1.00 54.30 H new ATOM 0 HB VAL A 589 -1.240 -1.208 -4.036 1.00 51.34 H new ATOM 0 HG11 VAL A 589 -3.396 -2.279 -3.527 1.00 22.11 H new ATOM 0 HG12 VAL A 589 -2.102 -3.478 -3.766 1.00 22.11 H new ATOM 0 HG13 VAL A 589 -2.659 -3.086 -2.122 1.00 22.11 H new ATOM 0 HG21 VAL A 589 -2.873 -0.046 -2.606 1.00 75.12 H new ATOM 0 HG22 VAL A 589 -2.114 -0.762 -1.164 1.00 75.12 H new ATOM 0 HG23 VAL A 589 -1.199 0.380 -2.177 1.00 75.12 H new ATOM 443 N GLU A 590 0.893 -2.707 -4.581 1.00 74.35 N ATOM 444 CA GLU A 590 1.460 -3.598 -5.586 1.00 42.14 C ATOM 445 C GLU A 590 2.547 -4.480 -4.980 1.00 52.12 C ATOM 446 O GLU A 590 2.614 -5.678 -5.253 1.00 0.41 O ATOM 447 CB GLU A 590 2.034 -2.789 -6.751 1.00 63.21 C ATOM 448 CG GLU A 590 0.974 -2.238 -7.690 1.00 31.33 C ATOM 449 CD GLU A 590 1.567 -1.443 -8.836 1.00 34.33 C ATOM 450 OE1 GLU A 590 2.771 -1.616 -9.120 1.00 62.34 O ATOM 451 OE2 GLU A 590 0.827 -0.646 -9.450 1.00 73.24 O ATOM 0 H GLU A 590 0.862 -1.726 -4.857 1.00 74.35 H new ATOM 0 HA GLU A 590 0.661 -4.240 -5.958 1.00 42.14 H new ATOM 0 HB2 GLU A 590 2.621 -1.961 -6.353 1.00 63.21 H new ATOM 0 HB3 GLU A 590 2.718 -3.420 -7.319 1.00 63.21 H new ATOM 0 HG2 GLU A 590 0.385 -3.063 -8.091 1.00 31.33 H new ATOM 0 HG3 GLU A 590 0.290 -1.602 -7.127 1.00 31.33 H new ATOM 456 N ALA A 591 3.398 -3.878 -4.154 1.00 12.15 N ATOM 457 CA ALA A 591 4.481 -4.608 -3.508 1.00 31.13 C ATOM 458 C ALA A 591 3.941 -5.600 -2.485 1.00 4.24 C ATOM 459 O ALA A 591 4.437 -6.722 -2.370 1.00 14.21 O ATOM 460 CB ALA A 591 5.449 -3.639 -2.845 1.00 1.32 C ATOM 0 H ALA A 591 3.357 -2.887 -3.917 1.00 12.15 H new ATOM 0 HA ALA A 591 5.014 -5.170 -4.275 1.00 31.13 H new ATOM 0 HB1 ALA A 591 6.253 -4.198 -2.366 1.00 1.32 H new ATOM 0 HB2 ALA A 591 5.869 -2.972 -3.598 1.00 1.32 H new ATOM 0 HB3 ALA A 591 4.919 -3.052 -2.095 1.00 1.32 H new ATOM 466 N VAL A 592 2.920 -5.182 -1.742 1.00 73.22 N ATOM 467 CA VAL A 592 2.312 -6.035 -0.728 1.00 1.43 C ATOM 468 C VAL A 592 1.549 -7.190 -1.367 1.00 11.02 C ATOM 469 O VAL A 592 1.390 -8.251 -0.764 1.00 73.34 O ATOM 470 CB VAL A 592 1.352 -5.237 0.174 1.00 73.11 C ATOM 471 CG1 VAL A 592 0.437 -6.177 0.945 1.00 33.42 C ATOM 472 CG2 VAL A 592 2.134 -4.342 1.123 1.00 44.31 C ATOM 0 H VAL A 592 2.497 -4.257 -1.824 1.00 73.22 H new ATOM 0 HA VAL A 592 3.125 -6.432 -0.120 1.00 1.43 H new ATOM 0 HB VAL A 592 0.731 -4.602 -0.458 1.00 73.11 H new ATOM 0 HG11 VAL A 592 -0.234 -5.595 1.577 1.00 33.42 H new ATOM 0 HG12 VAL A 592 -0.149 -6.771 0.244 1.00 33.42 H new ATOM 0 HG13 VAL A 592 1.038 -6.840 1.568 1.00 33.42 H new ATOM 0 HG21 VAL A 592 1.440 -3.785 1.753 1.00 44.31 H new ATOM 0 HG22 VAL A 592 2.782 -4.955 1.750 1.00 44.31 H new ATOM 0 HG23 VAL A 592 2.741 -3.644 0.547 1.00 44.31 H new ATOM 482 N GLU A 593 1.081 -6.976 -2.593 1.00 41.54 N ATOM 483 CA GLU A 593 0.333 -8.001 -3.314 1.00 33.32 C ATOM 484 C GLU A 593 1.263 -9.107 -3.804 1.00 40.42 C ATOM 485 O GLU A 593 0.893 -10.283 -3.820 1.00 54.13 O ATOM 486 CB GLU A 593 -0.410 -7.382 -4.499 1.00 51.31 C ATOM 487 CG GLU A 593 -1.898 -7.199 -4.255 1.00 21.01 C ATOM 488 CD GLU A 593 -2.637 -6.717 -5.490 1.00 62.32 C ATOM 489 OE1 GLU A 593 -2.309 -5.620 -5.987 1.00 33.03 O ATOM 490 OE2 GLU A 593 -3.543 -7.439 -5.957 1.00 34.53 O ATOM 0 H GLU A 593 1.206 -6.104 -3.107 1.00 41.54 H new ATOM 0 HA GLU A 593 -0.393 -8.437 -2.627 1.00 33.32 H new ATOM 0 HB2 GLU A 593 0.034 -6.413 -4.730 1.00 51.31 H new ATOM 0 HB3 GLU A 593 -0.269 -8.014 -5.376 1.00 51.31 H new ATOM 0 HG2 GLU A 593 -2.327 -8.145 -3.925 1.00 21.01 H new ATOM 0 HG3 GLU A 593 -2.044 -6.483 -3.446 1.00 21.01 H new ATOM 495 N HIS A 594 2.472 -8.723 -4.204 1.00 4.23 N ATOM 496 CA HIS A 594 3.454 -9.683 -4.695 1.00 71.11 C ATOM 497 C HIS A 594 4.252 -10.282 -3.541 1.00 42.15 C ATOM 498 O HIS A 594 4.427 -11.499 -3.459 1.00 4.34 O ATOM 499 CB HIS A 594 4.401 -9.011 -5.690 1.00 53.24 C ATOM 500 CG HIS A 594 3.772 -8.731 -7.020 1.00 32.21 C ATOM 501 ND1 HIS A 594 3.130 -7.548 -7.315 1.00 52.12 N ATOM 502 CD2 HIS A 594 3.692 -9.490 -8.138 1.00 41.33 C ATOM 503 CE1 HIS A 594 2.680 -7.591 -8.556 1.00 72.21 C ATOM 504 NE2 HIS A 594 3.009 -8.759 -9.078 1.00 2.20 N ATOM 0 H HIS A 594 2.794 -7.755 -4.198 1.00 4.23 H new ATOM 0 HA HIS A 594 2.919 -10.487 -5.200 1.00 71.11 H new ATOM 0 HB2 HIS A 594 4.759 -8.075 -5.262 1.00 53.24 H new ATOM 0 HB3 HIS A 594 5.273 -9.649 -5.837 1.00 53.24 H new ATOM 0 HD1 HIS A 594 3.020 -6.762 -6.675 1.00 52.12 H new ATOM 0 HD2 HIS A 594 4.091 -10.485 -8.267 1.00 41.33 H new ATOM 0 HE1 HIS A 594 2.136 -6.805 -9.058 1.00 72.21 H new ATOM 511 N LEU A 595 4.734 -9.422 -2.651 1.00 30.33 N ATOM 512 CA LEU A 595 5.514 -9.867 -1.501 1.00 75.45 C ATOM 513 C LEU A 595 4.603 -10.385 -0.393 1.00 72.01 C ATOM 514 O LEU A 595 5.020 -11.188 0.442 1.00 53.42 O ATOM 515 CB LEU A 595 6.377 -8.720 -0.972 1.00 70.42 C ATOM 516 CG LEU A 595 7.630 -8.393 -1.785 1.00 72.30 C ATOM 517 CD1 LEU A 595 8.462 -9.646 -2.011 1.00 55.02 C ATOM 518 CD2 LEU A 595 7.253 -7.754 -3.113 1.00 3.12 C ATOM 0 H LEU A 595 4.599 -8.412 -2.703 1.00 30.33 H new ATOM 0 HA LEU A 595 6.161 -10.682 -1.825 1.00 75.45 H new ATOM 0 HB2 LEU A 595 5.760 -7.823 -0.917 1.00 70.42 H new ATOM 0 HB3 LEU A 595 6.682 -8.961 0.046 1.00 70.42 H new ATOM 0 HG LEU A 595 8.230 -7.680 -1.220 1.00 72.30 H new ATOM 0 HD11 LEU A 595 9.350 -9.394 -2.591 1.00 55.02 H new ATOM 0 HD12 LEU A 595 8.763 -10.061 -1.049 1.00 55.02 H new ATOM 0 HD13 LEU A 595 7.870 -10.382 -2.555 1.00 55.02 H new ATOM 0 HD21 LEU A 595 8.157 -7.528 -3.678 1.00 3.12 H new ATOM 0 HD22 LEU A 595 6.631 -8.443 -3.684 1.00 3.12 H new ATOM 0 HD23 LEU A 595 6.700 -6.833 -2.930 1.00 3.12 H new ATOM 529 N GLY A 596 3.357 -9.922 -0.393 1.00 5.44 N ATOM 530 CA GLY A 596 2.406 -10.353 0.615 1.00 55.00 C ATOM 531 C GLY A 596 2.547 -9.581 1.912 1.00 72.33 C ATOM 532 O GLY A 596 3.337 -8.640 2.001 1.00 72.55 O ATOM 0 H GLY A 596 2.989 -9.256 -1.073 1.00 5.44 H new ATOM 0 HA2 GLY A 596 1.393 -10.230 0.231 1.00 55.00 H new ATOM 0 HA3 GLY A 596 2.546 -11.416 0.811 1.00 55.00 H new ATOM 536 N THR A 597 1.779 -9.977 2.922 1.00 13.02 N ATOM 537 CA THR A 597 1.820 -9.315 4.219 1.00 54.54 C ATOM 538 C THR A 597 2.792 -10.014 5.164 1.00 15.32 C ATOM 539 O THR A 597 2.657 -9.928 6.383 1.00 75.21 O ATOM 540 CB THR A 597 0.426 -9.273 4.874 1.00 22.01 C ATOM 541 OG1 THR A 597 -0.229 -10.537 4.710 1.00 54.42 O ATOM 542 CG2 THR A 597 -0.426 -8.172 4.264 1.00 13.35 C ATOM 0 H THR A 597 1.120 -10.754 2.866 1.00 13.02 H new ATOM 0 HA THR A 597 2.161 -8.295 4.041 1.00 54.54 H new ATOM 0 HB THR A 597 0.553 -9.064 5.936 1.00 22.01 H new ATOM 0 HG1 THR A 597 -0.542 -10.626 3.785 1.00 54.42 H new ATOM 0 HG21 THR A 597 -1.405 -8.162 4.743 1.00 13.35 H new ATOM 0 HG22 THR A 597 0.061 -7.209 4.415 1.00 13.35 H new ATOM 0 HG23 THR A 597 -0.546 -8.354 3.196 1.00 13.35 H new ATOM 550 N GLY A 598 3.772 -10.706 4.590 1.00 52.44 N ATOM 551 CA GLY A 598 4.752 -11.409 5.396 1.00 24.31 C ATOM 552 C GLY A 598 6.172 -10.973 5.093 1.00 41.14 C ATOM 553 O GLY A 598 7.102 -11.311 5.825 1.00 41.04 O ATOM 0 H GLY A 598 3.904 -10.792 3.582 1.00 52.44 H new ATOM 0 HA2 GLY A 598 4.540 -11.238 6.451 1.00 24.31 H new ATOM 0 HA3 GLY A 598 4.659 -12.481 5.222 1.00 24.31 H new ATOM 557 N ARG A 599 6.340 -10.222 4.009 1.00 62.13 N ATOM 558 CA ARG A 599 7.657 -9.742 3.609 1.00 63.22 C ATOM 559 C ARG A 599 7.656 -8.226 3.443 1.00 12.21 C ATOM 560 O ARG A 599 7.625 -7.715 2.324 1.00 35.03 O ATOM 561 CB ARG A 599 8.092 -10.409 2.303 1.00 10.42 C ATOM 562 CG ARG A 599 8.223 -11.920 2.405 1.00 21.11 C ATOM 563 CD ARG A 599 7.985 -12.592 1.061 1.00 42.10 C ATOM 564 NE ARG A 599 7.710 -14.019 1.204 1.00 64.31 N ATOM 565 CZ ARG A 599 8.657 -14.937 1.364 1.00 4.31 C ATOM 566 NH1 ARG A 599 9.933 -14.580 1.402 1.00 54.30 N ATOM 567 NH2 ARG A 599 8.327 -16.217 1.488 1.00 14.33 N ATOM 0 H ARG A 599 5.581 -9.933 3.392 1.00 62.13 H new ATOM 0 HA ARG A 599 8.365 -10.003 4.395 1.00 63.22 H new ATOM 0 HB2 ARG A 599 7.370 -10.167 1.523 1.00 10.42 H new ATOM 0 HB3 ARG A 599 9.049 -9.990 1.992 1.00 10.42 H new ATOM 0 HG2 ARG A 599 9.218 -12.176 2.770 1.00 21.11 H new ATOM 0 HG3 ARG A 599 7.508 -12.300 3.135 1.00 21.11 H new ATOM 0 HD2 ARG A 599 7.147 -12.110 0.558 1.00 42.10 H new ATOM 0 HD3 ARG A 599 8.860 -12.453 0.426 1.00 42.10 H new ATOM 0 HE ARG A 599 6.738 -14.328 1.180 1.00 64.31 H new ATOM 0 HH11 ARG A 599 10.191 -13.598 1.308 1.00 54.30 H new ATOM 0 HH12 ARG A 599 10.657 -15.288 1.525 1.00 54.30 H new ATOM 0 HH21 ARG A 599 7.346 -16.496 1.460 1.00 14.33 H new ATOM 0 HH22 ARG A 599 9.054 -16.922 1.611 1.00 14.33 H new ATOM 578 N TRP A 600 7.688 -7.513 4.563 1.00 31.15 N ATOM 579 CA TRP A 600 7.689 -6.054 4.540 1.00 71.32 C ATOM 580 C TRP A 600 9.008 -5.520 3.994 1.00 71.31 C ATOM 581 O TRP A 600 9.026 -4.583 3.195 1.00 65.14 O ATOM 582 CB TRP A 600 7.444 -5.502 5.945 1.00 72.41 C ATOM 583 CG TRP A 600 6.312 -6.176 6.659 1.00 61.23 C ATOM 584 CD1 TRP A 600 5.088 -6.490 6.141 1.00 64.21 C ATOM 585 CD2 TRP A 600 6.298 -6.616 8.022 1.00 4.21 C ATOM 586 NE1 TRP A 600 4.314 -7.099 7.100 1.00 32.41 N ATOM 587 CE2 TRP A 600 5.034 -7.189 8.261 1.00 52.43 C ATOM 588 CE3 TRP A 600 7.232 -6.584 9.062 1.00 1.54 C ATOM 589 CZ2 TRP A 600 4.682 -7.723 9.499 1.00 0.23 C ATOM 590 CZ3 TRP A 600 6.880 -7.114 10.288 1.00 62.14 C ATOM 591 CH2 TRP A 600 5.614 -7.678 10.498 1.00 21.31 C ATOM 0 H TRP A 600 7.714 -7.920 5.498 1.00 31.15 H new ATOM 0 HA TRP A 600 6.885 -5.725 3.882 1.00 71.32 H new ATOM 0 HB2 TRP A 600 8.354 -5.613 6.535 1.00 72.41 H new ATOM 0 HB3 TRP A 600 7.237 -4.434 5.877 1.00 72.41 H new ATOM 0 HD1 TRP A 600 4.774 -6.289 5.127 1.00 64.21 H new ATOM 0 HE1 TRP A 600 3.358 -7.430 6.968 1.00 32.41 H new ATOM 0 HE3 TRP A 600 8.210 -6.153 8.910 1.00 1.54 H new ATOM 0 HZ2 TRP A 600 3.707 -8.157 9.663 1.00 0.23 H new ATOM 0 HZ3 TRP A 600 7.593 -7.094 11.099 1.00 62.14 H new ATOM 0 HH2 TRP A 600 5.370 -8.085 11.468 1.00 21.31 H new ATOM 601 N ARG A 601 10.111 -6.121 4.428 1.00 32.53 N ATOM 602 CA ARG A 601 11.435 -5.704 3.982 1.00 55.24 C ATOM 603 C ARG A 601 11.512 -5.675 2.458 1.00 4.22 C ATOM 604 O ARG A 601 12.047 -4.735 1.871 1.00 62.15 O ATOM 605 CB ARG A 601 12.505 -6.645 4.539 1.00 70.14 C ATOM 606 CG ARG A 601 12.264 -8.107 4.204 1.00 22.32 C ATOM 607 CD ARG A 601 12.928 -9.028 5.215 1.00 40.43 C ATOM 608 NE ARG A 601 14.381 -9.040 5.073 1.00 62.51 N ATOM 609 CZ ARG A 601 15.207 -9.505 6.004 1.00 62.21 C ATOM 610 NH1 ARG A 601 14.725 -9.995 7.137 1.00 42.34 N ATOM 611 NH2 ARG A 601 16.518 -9.483 5.801 1.00 52.31 N ATOM 0 H ARG A 601 10.114 -6.899 5.088 1.00 32.53 H new ATOM 0 HA ARG A 601 11.616 -4.697 4.357 1.00 55.24 H new ATOM 0 HB2 ARG A 601 13.478 -6.347 4.148 1.00 70.14 H new ATOM 0 HB3 ARG A 601 12.548 -6.532 5.622 1.00 70.14 H new ATOM 0 HG2 ARG A 601 11.192 -8.304 4.180 1.00 22.32 H new ATOM 0 HG3 ARG A 601 12.650 -8.321 3.207 1.00 22.32 H new ATOM 0 HD2 ARG A 601 12.665 -8.709 6.223 1.00 40.43 H new ATOM 0 HD3 ARG A 601 12.543 -10.040 5.091 1.00 40.43 H new ATOM 0 HE ARG A 601 14.784 -8.671 4.212 1.00 62.51 H new ATOM 0 HH11 ARG A 601 13.718 -10.016 7.296 1.00 42.34 H new ATOM 0 HH12 ARG A 601 15.361 -10.351 7.850 1.00 42.34 H new ATOM 0 HH21 ARG A 601 16.893 -9.109 4.929 1.00 52.31 H new ATOM 0 HH22 ARG A 601 17.151 -9.840 6.517 1.00 52.31 H new ATOM 622 N ASP A 602 10.973 -6.711 1.825 1.00 62.41 N ATOM 623 CA ASP A 602 10.980 -6.805 0.370 1.00 33.44 C ATOM 624 C ASP A 602 10.087 -5.734 -0.248 1.00 43.10 C ATOM 625 O ASP A 602 10.416 -5.159 -1.286 1.00 42.12 O ATOM 626 CB ASP A 602 10.516 -8.193 -0.076 1.00 62.24 C ATOM 627 CG ASP A 602 11.448 -9.293 0.394 1.00 1.04 C ATOM 628 OD1 ASP A 602 11.311 -9.732 1.554 1.00 42.15 O ATOM 629 OD2 ASP A 602 12.316 -9.715 -0.401 1.00 44.52 O ATOM 0 H ASP A 602 10.526 -7.497 2.296 1.00 62.41 H new ATOM 0 HA ASP A 602 12.002 -6.644 0.026 1.00 33.44 H new ATOM 0 HB2 ASP A 602 9.514 -8.380 0.311 1.00 62.24 H new ATOM 0 HB3 ASP A 602 10.448 -8.218 -1.164 1.00 62.24 H new ATOM 633 N VAL A 603 8.954 -5.472 0.396 1.00 44.54 N ATOM 634 CA VAL A 603 8.013 -4.470 -0.089 1.00 3.43 C ATOM 635 C VAL A 603 8.669 -3.098 -0.183 1.00 60.54 C ATOM 636 O VAL A 603 8.420 -2.340 -1.120 1.00 12.20 O ATOM 637 CB VAL A 603 6.776 -4.374 0.823 1.00 45.33 C ATOM 638 CG1 VAL A 603 5.934 -3.161 0.455 1.00 71.13 C ATOM 639 CG2 VAL A 603 5.952 -5.650 0.739 1.00 43.33 C ATOM 0 H VAL A 603 8.666 -5.940 1.255 1.00 44.54 H new ATOM 0 HA VAL A 603 7.699 -4.787 -1.083 1.00 3.43 H new ATOM 0 HB VAL A 603 7.114 -4.254 1.852 1.00 45.33 H new ATOM 0 HG11 VAL A 603 5.064 -3.110 1.110 1.00 71.13 H new ATOM 0 HG12 VAL A 603 6.530 -2.256 0.571 1.00 71.13 H new ATOM 0 HG13 VAL A 603 5.604 -3.248 -0.580 1.00 71.13 H new ATOM 0 HG21 VAL A 603 5.082 -5.565 1.390 1.00 43.33 H new ATOM 0 HG22 VAL A 603 5.623 -5.804 -0.289 1.00 43.33 H new ATOM 0 HG23 VAL A 603 6.560 -6.497 1.056 1.00 43.33 H new ATOM 649 N LYS A 604 9.513 -2.784 0.795 1.00 43.22 N ATOM 650 CA LYS A 604 10.209 -1.503 0.824 1.00 62.45 C ATOM 651 C LYS A 604 11.292 -1.449 -0.248 1.00 61.03 C ATOM 652 O LYS A 604 11.526 -0.404 -0.854 1.00 73.20 O ATOM 653 CB LYS A 604 10.830 -1.268 2.203 1.00 5.51 C ATOM 654 CG LYS A 604 11.110 0.195 2.503 1.00 2.02 C ATOM 655 CD LYS A 604 9.904 0.877 3.127 1.00 42.21 C ATOM 656 CE LYS A 604 10.164 2.356 3.369 1.00 62.00 C ATOM 657 NZ LYS A 604 9.006 3.022 4.028 1.00 12.33 N ATOM 0 H LYS A 604 9.731 -3.400 1.578 1.00 43.22 H new ATOM 0 HA LYS A 604 9.481 -0.717 0.621 1.00 62.45 H new ATOM 0 HB2 LYS A 604 10.161 -1.665 2.966 1.00 5.51 H new ATOM 0 HB3 LYS A 604 11.762 -1.829 2.273 1.00 5.51 H new ATOM 0 HG2 LYS A 604 11.962 0.272 3.178 1.00 2.02 H new ATOM 0 HG3 LYS A 604 11.385 0.710 1.582 1.00 2.02 H new ATOM 0 HD2 LYS A 604 9.040 0.761 2.473 1.00 42.21 H new ATOM 0 HD3 LYS A 604 9.657 0.391 4.071 1.00 42.21 H new ATOM 0 HE2 LYS A 604 11.052 2.472 3.991 1.00 62.00 H new ATOM 0 HE3 LYS A 604 10.374 2.848 2.419 1.00 62.00 H new ATOM 0 HZ1 LYS A 604 9.353 3.706 4.730 1.00 12.33 H new ATOM 0 HZ2 LYS A 604 8.438 3.518 3.312 1.00 12.33 H new ATOM 0 HZ3 LYS A 604 8.418 2.307 4.502 1.00 12.33 H new ATOM 667 N MET A 605 11.949 -2.581 -0.478 1.00 51.10 N ATOM 668 CA MET A 605 13.005 -2.661 -1.480 1.00 61.12 C ATOM 669 C MET A 605 12.423 -2.627 -2.888 1.00 15.55 C ATOM 670 O MET A 605 13.024 -2.068 -3.806 1.00 54.25 O ATOM 671 CB MET A 605 13.826 -3.939 -1.286 1.00 11.42 C ATOM 672 CG MET A 605 14.674 -3.931 -0.025 1.00 12.40 C ATOM 673 SD MET A 605 16.105 -5.021 -0.144 1.00 50.40 S ATOM 674 CE MET A 605 16.518 -5.228 1.587 1.00 10.23 C ATOM 0 H MET A 605 11.769 -3.455 0.016 1.00 51.10 H new ATOM 0 HA MET A 605 13.656 -1.796 -1.354 1.00 61.12 H new ATOM 0 HB2 MET A 605 13.150 -4.794 -1.254 1.00 11.42 H new ATOM 0 HB3 MET A 605 14.476 -4.078 -2.150 1.00 11.42 H new ATOM 0 HG2 MET A 605 15.012 -2.914 0.174 1.00 12.40 H new ATOM 0 HG3 MET A 605 14.060 -4.235 0.823 1.00 12.40 H new ATOM 0 HE1 MET A 605 17.387 -5.880 1.678 1.00 10.23 H new ATOM 0 HE2 MET A 605 16.746 -4.256 2.025 1.00 10.23 H new ATOM 0 HE3 MET A 605 15.673 -5.674 2.112 1.00 10.23 H new ATOM 682 N ARG A 606 11.248 -3.228 -3.054 1.00 54.35 N ATOM 683 CA ARG A 606 10.585 -3.265 -4.351 1.00 20.44 C ATOM 684 C ARG A 606 9.844 -1.959 -4.623 1.00 22.00 C ATOM 685 O ARG A 606 9.854 -1.450 -5.743 1.00 41.01 O ATOM 686 CB ARG A 606 9.609 -4.441 -4.415 1.00 40.11 C ATOM 687 CG ARG A 606 8.740 -4.445 -5.662 1.00 63.11 C ATOM 688 CD ARG A 606 8.146 -5.820 -5.923 1.00 25.31 C ATOM 689 NE ARG A 606 9.179 -6.844 -6.070 1.00 54.34 N ATOM 690 CZ ARG A 606 9.942 -6.967 -7.149 1.00 73.10 C ATOM 691 NH1 ARG A 606 9.791 -6.135 -8.171 1.00 65.10 N ATOM 692 NH2 ARG A 606 10.861 -7.923 -7.209 1.00 52.54 N ATOM 0 H ARG A 606 10.737 -3.696 -2.306 1.00 54.35 H new ATOM 0 HA ARG A 606 11.350 -3.394 -5.117 1.00 20.44 H new ATOM 0 HB2 ARG A 606 10.173 -5.373 -4.373 1.00 40.11 H new ATOM 0 HB3 ARG A 606 8.966 -4.417 -3.535 1.00 40.11 H new ATOM 0 HG2 ARG A 606 7.937 -3.716 -5.550 1.00 63.11 H new ATOM 0 HG3 ARG A 606 9.334 -4.135 -6.522 1.00 63.11 H new ATOM 0 HD2 ARG A 606 7.482 -6.090 -5.102 1.00 25.31 H new ATOM 0 HD3 ARG A 606 7.538 -5.786 -6.827 1.00 25.31 H new ATOM 0 HE ARG A 606 9.321 -7.500 -5.302 1.00 54.34 H new ATOM 0 HH11 ARG A 606 9.087 -5.398 -8.129 1.00 65.10 H new ATOM 0 HH12 ARG A 606 10.379 -6.232 -8.999 1.00 65.10 H new ATOM 0 HH21 ARG A 606 10.982 -8.564 -6.425 1.00 52.54 H new ATOM 0 HH22 ARG A 606 11.447 -8.016 -8.039 1.00 52.54 H new ATOM 703 N ALA A 607 9.203 -1.424 -3.589 1.00 13.54 N ATOM 704 CA ALA A 607 8.457 -0.177 -3.715 1.00 25.22 C ATOM 705 C ALA A 607 9.391 1.027 -3.674 1.00 71.54 C ATOM 706 O ALA A 607 9.552 1.736 -4.667 1.00 43.20 O ATOM 707 CB ALA A 607 7.411 -0.075 -2.616 1.00 60.32 C ATOM 0 H ALA A 607 9.185 -1.834 -2.655 1.00 13.54 H new ATOM 0 HA ALA A 607 7.953 -0.179 -4.681 1.00 25.22 H new ATOM 0 HB1 ALA A 607 6.862 0.860 -2.722 1.00 60.32 H new ATOM 0 HB2 ALA A 607 6.719 -0.913 -2.694 1.00 60.32 H new ATOM 0 HB3 ALA A 607 7.902 -0.099 -1.643 1.00 60.32 H new ATOM 713 N PHE A 608 10.007 1.253 -2.517 1.00 31.22 N ATOM 714 CA PHE A 608 10.924 2.373 -2.345 1.00 0.05 C ATOM 715 C PHE A 608 12.288 2.057 -2.951 1.00 20.33 C ATOM 716 O PHE A 608 12.906 1.043 -2.624 1.00 1.54 O ATOM 717 CB PHE A 608 11.080 2.709 -0.861 1.00 53.33 C ATOM 718 CG PHE A 608 9.801 3.156 -0.211 1.00 52.32 C ATOM 719 CD1 PHE A 608 8.825 2.235 0.133 1.00 3.22 C ATOM 720 CD2 PHE A 608 9.575 4.497 0.056 1.00 13.21 C ATOM 721 CE1 PHE A 608 7.648 2.643 0.732 1.00 45.14 C ATOM 722 CE2 PHE A 608 8.400 4.910 0.654 1.00 61.40 C ATOM 723 CZ PHE A 608 7.435 3.982 0.992 1.00 4.12 C ATOM 0 H PHE A 608 9.887 0.675 -1.685 1.00 31.22 H new ATOM 0 HA PHE A 608 10.505 3.235 -2.864 1.00 0.05 H new ATOM 0 HB2 PHE A 608 11.458 1.832 -0.336 1.00 53.33 H new ATOM 0 HB3 PHE A 608 11.828 3.494 -0.751 1.00 53.33 H new ATOM 0 HD1 PHE A 608 8.986 1.186 -0.069 1.00 3.22 H new ATOM 0 HD2 PHE A 608 10.326 5.228 -0.206 1.00 13.21 H new ATOM 0 HE1 PHE A 608 6.896 1.915 0.996 1.00 45.14 H new ATOM 0 HE2 PHE A 608 8.236 5.958 0.857 1.00 61.40 H new ATOM 0 HZ PHE A 608 6.516 4.303 1.459 1.00 4.12 H new ATOM 732 N ASP A 609 12.753 2.932 -3.837 1.00 43.21 N ATOM 733 CA ASP A 609 14.043 2.747 -4.490 1.00 21.41 C ATOM 734 C ASP A 609 15.183 2.856 -3.481 1.00 5.21 C ATOM 735 O ASP A 609 16.203 2.179 -3.607 1.00 42.02 O ATOM 736 CB ASP A 609 14.230 3.781 -5.601 1.00 11.00 C ATOM 737 CG ASP A 609 15.183 3.306 -6.680 1.00 72.43 C ATOM 738 OD1 ASP A 609 16.237 2.734 -6.330 1.00 24.14 O ATOM 739 OD2 ASP A 609 14.876 3.507 -7.874 1.00 63.23 O ATOM 0 H ASP A 609 12.255 3.776 -4.119 1.00 43.21 H new ATOM 0 HA ASP A 609 14.061 1.749 -4.927 1.00 21.41 H new ATOM 0 HB2 ASP A 609 13.262 4.008 -6.049 1.00 11.00 H new ATOM 0 HB3 ASP A 609 14.607 4.709 -5.170 1.00 11.00 H new ATOM 743 N ASN A 610 15.001 3.713 -2.482 1.00 64.13 N ATOM 744 CA ASN A 610 16.015 3.911 -1.452 1.00 61.32 C ATOM 745 C ASN A 610 15.646 3.163 -0.174 1.00 73.55 C ATOM 746 O ASN A 610 15.365 3.776 0.855 1.00 64.03 O ATOM 747 CB ASN A 610 16.184 5.402 -1.153 1.00 10.31 C ATOM 748 CG ASN A 610 14.861 6.085 -0.860 1.00 35.11 C ATOM 749 OD1 ASN A 610 13.879 5.435 -0.502 1.00 32.12 O ATOM 750 ND2 ASN A 610 14.831 7.405 -1.011 1.00 31.12 N ATOM 0 H ASN A 610 14.162 4.281 -2.363 1.00 64.13 H new ATOM 0 HA ASN A 610 16.959 3.513 -1.825 1.00 61.32 H new ATOM 0 HB2 ASN A 610 16.851 5.526 -0.300 1.00 10.31 H new ATOM 0 HB3 ASN A 610 16.661 5.889 -2.004 1.00 10.31 H new ATOM 0 HD21 ASN A 610 13.970 7.920 -0.828 1.00 31.12 H new ATOM 0 HD22 ASN A 610 15.669 7.903 -1.310 1.00 31.12 H new ATOM 756 N ALA A 611 15.651 1.836 -0.249 1.00 55.12 N ATOM 757 CA ALA A 611 15.320 1.005 0.902 1.00 55.54 C ATOM 758 C ALA A 611 16.552 0.271 1.421 1.00 3.22 C ATOM 759 O ALA A 611 16.447 -0.830 1.962 1.00 52.20 O ATOM 760 CB ALA A 611 14.225 0.013 0.538 1.00 75.55 C ATOM 0 H ALA A 611 15.881 1.314 -1.095 1.00 55.12 H new ATOM 0 HA ALA A 611 14.956 1.655 1.697 1.00 55.54 H new ATOM 0 HB1 ALA A 611 13.987 -0.601 1.406 1.00 75.55 H new ATOM 0 HB2 ALA A 611 13.334 0.555 0.222 1.00 75.55 H new ATOM 0 HB3 ALA A 611 14.569 -0.626 -0.275 1.00 75.55 H new ATOM 766 N ASP A 612 17.716 0.887 1.253 1.00 72.25 N ATOM 767 CA ASP A 612 18.968 0.292 1.705 1.00 23.33 C ATOM 768 C ASP A 612 18.880 -0.110 3.174 1.00 51.21 C ATOM 769 O ASP A 612 18.897 -1.295 3.507 1.00 65.41 O ATOM 770 CB ASP A 612 20.126 1.269 1.500 1.00 21.21 C ATOM 771 CG ASP A 612 20.611 1.300 0.063 1.00 4.42 C ATOM 772 OD1 ASP A 612 21.031 0.238 -0.444 1.00 0.31 O ATOM 773 OD2 ASP A 612 20.568 2.384 -0.554 1.00 72.23 O ATOM 0 H ASP A 612 17.819 1.799 0.807 1.00 72.25 H new ATOM 0 HA ASP A 612 19.150 -0.604 1.112 1.00 23.33 H new ATOM 0 HB2 ASP A 612 19.810 2.269 1.795 1.00 21.21 H new ATOM 0 HB3 ASP A 612 20.953 0.990 2.153 1.00 21.21 H new ATOM 777 N HIS A 613 18.785 0.885 4.050 1.00 71.24 N ATOM 778 CA HIS A 613 18.694 0.637 5.484 1.00 64.33 C ATOM 779 C HIS A 613 17.412 1.231 6.059 1.00 64.30 C ATOM 780 O HIS A 613 17.341 1.546 7.246 1.00 62.03 O ATOM 781 CB HIS A 613 19.909 1.223 6.203 1.00 71.12 C ATOM 782 CG HIS A 613 21.153 0.404 6.045 1.00 33.22 C ATOM 783 ND1 HIS A 613 21.267 -0.888 6.512 1.00 54.24 N ATOM 784 CD2 HIS A 613 22.340 0.700 5.466 1.00 12.03 C ATOM 785 CE1 HIS A 613 22.471 -1.351 6.229 1.00 24.43 C ATOM 786 NE2 HIS A 613 23.142 -0.407 5.593 1.00 3.12 N ATOM 0 H HIS A 613 18.769 1.872 3.791 1.00 71.24 H new ATOM 0 HA HIS A 613 18.675 -0.442 5.640 1.00 64.33 H new ATOM 0 HB2 HIS A 613 20.095 2.228 5.824 1.00 71.12 H new ATOM 0 HB3 HIS A 613 19.681 1.320 7.264 1.00 71.12 H new ATOM 0 HD2 HIS A 613 22.607 1.633 4.992 1.00 12.03 H new ATOM 0 HE1 HIS A 613 22.844 -2.334 6.476 1.00 24.43 H new ATOM 0 HE2 HIS A 613 24.100 -0.488 5.252 1.00 3.12 H new ATOM 793 N ARG A 614 16.403 1.380 5.208 1.00 54.52 N ATOM 794 CA ARG A 614 15.123 1.938 5.631 1.00 61.33 C ATOM 795 C ARG A 614 14.355 0.943 6.494 1.00 44.03 C ATOM 796 O ARG A 614 14.575 -0.267 6.414 1.00 72.35 O ATOM 797 CB ARG A 614 14.284 2.326 4.412 1.00 33.40 C ATOM 798 CG ARG A 614 14.595 3.715 3.877 1.00 0.44 C ATOM 799 CD ARG A 614 13.946 4.797 4.725 1.00 62.42 C ATOM 800 NE ARG A 614 14.816 5.232 5.815 1.00 61.54 N ATOM 801 CZ ARG A 614 15.803 6.108 5.663 1.00 34.21 C ATOM 802 NH1 ARG A 614 16.044 6.640 4.472 1.00 22.42 N ATOM 803 NH2 ARG A 614 16.551 6.454 6.703 1.00 33.43 N ATOM 0 H ARG A 614 16.446 1.123 4.222 1.00 54.52 H new ATOM 0 HA ARG A 614 15.323 2.830 6.225 1.00 61.33 H new ATOM 0 HB2 ARG A 614 14.449 1.595 3.620 1.00 33.40 H new ATOM 0 HB3 ARG A 614 13.228 2.276 4.677 1.00 33.40 H new ATOM 0 HG2 ARG A 614 15.674 3.865 3.857 1.00 0.44 H new ATOM 0 HG3 ARG A 614 14.243 3.797 2.849 1.00 0.44 H new ATOM 0 HD2 ARG A 614 13.698 5.652 4.095 1.00 62.42 H new ATOM 0 HD3 ARG A 614 13.009 4.422 5.136 1.00 62.42 H new ATOM 0 HE ARG A 614 14.657 4.842 6.744 1.00 61.54 H new ATOM 0 HH11 ARG A 614 15.471 6.377 3.670 1.00 22.42 H new ATOM 0 HH12 ARG A 614 16.802 7.312 4.358 1.00 22.42 H new ATOM 0 HH21 ARG A 614 16.368 6.047 7.620 1.00 33.43 H new ATOM 0 HH22 ARG A 614 17.309 7.127 6.585 1.00 33.43 H new ATOM 814 N THR A 615 13.450 1.458 7.321 1.00 75.14 N ATOM 815 CA THR A 615 12.651 0.616 8.201 1.00 12.52 C ATOM 816 C THR A 615 11.570 -0.125 7.420 1.00 52.34 C ATOM 817 O THR A 615 11.285 0.207 6.270 1.00 2.43 O ATOM 818 CB THR A 615 11.986 1.443 9.318 1.00 5.30 C ATOM 819 OG1 THR A 615 11.251 0.580 10.195 1.00 75.32 O ATOM 820 CG2 THR A 615 11.053 2.492 8.733 1.00 13.12 C ATOM 0 H THR A 615 13.253 2.456 7.399 1.00 75.14 H new ATOM 0 HA THR A 615 13.331 -0.107 8.651 1.00 12.52 H new ATOM 0 HB THR A 615 12.770 1.950 9.880 1.00 5.30 H new ATOM 0 HG1 THR A 615 11.499 0.770 11.124 1.00 75.32 H new ATOM 0 HG21 THR A 615 10.595 3.063 9.541 1.00 13.12 H new ATOM 0 HG22 THR A 615 11.620 3.164 8.089 1.00 13.12 H new ATOM 0 HG23 THR A 615 10.274 2.001 8.149 1.00 13.12 H new ATOM 828 N TYR A 616 10.971 -1.127 8.054 1.00 73.42 N ATOM 829 CA TYR A 616 9.924 -1.915 7.417 1.00 44.15 C ATOM 830 C TYR A 616 8.557 -1.584 8.010 1.00 65.23 C ATOM 831 O TYR A 616 7.521 -1.881 7.415 1.00 51.44 O ATOM 832 CB TYR A 616 10.212 -3.409 7.576 1.00 71.22 C ATOM 833 CG TYR A 616 10.567 -3.810 8.990 1.00 44.12 C ATOM 834 CD1 TYR A 616 9.576 -4.080 9.926 1.00 71.13 C ATOM 835 CD2 TYR A 616 11.893 -3.921 9.390 1.00 44.22 C ATOM 836 CE1 TYR A 616 9.896 -4.446 11.219 1.00 23.21 C ATOM 837 CE2 TYR A 616 12.222 -4.288 10.681 1.00 33.35 C ATOM 838 CZ TYR A 616 11.220 -4.549 11.592 1.00 53.21 C ATOM 839 OH TYR A 616 11.543 -4.915 12.879 1.00 10.42 O ATOM 0 H TYR A 616 11.193 -1.412 9.008 1.00 73.42 H new ATOM 0 HA TYR A 616 9.911 -1.665 6.356 1.00 44.15 H new ATOM 0 HB2 TYR A 616 9.337 -3.975 7.255 1.00 71.22 H new ATOM 0 HB3 TYR A 616 11.031 -3.685 6.912 1.00 71.22 H new ATOM 0 HD1 TYR A 616 8.538 -4.002 9.638 1.00 71.13 H new ATOM 0 HD2 TYR A 616 12.680 -3.717 8.679 1.00 44.22 H new ATOM 0 HE1 TYR A 616 9.113 -4.651 11.934 1.00 23.21 H new ATOM 0 HE2 TYR A 616 13.258 -4.370 10.975 1.00 33.35 H new ATOM 0 HH TYR A 616 12.518 -4.942 12.977 1.00 10.42 H new ATOM 848 N VAL A 617 8.564 -0.968 9.188 1.00 3.52 N ATOM 849 CA VAL A 617 7.327 -0.594 9.862 1.00 50.44 C ATOM 850 C VAL A 617 6.626 0.546 9.132 1.00 71.22 C ATOM 851 O VAL A 617 5.397 0.617 9.104 1.00 41.04 O ATOM 852 CB VAL A 617 7.587 -0.173 11.320 1.00 70.34 C ATOM 853 CG1 VAL A 617 8.499 1.044 11.370 1.00 11.35 C ATOM 854 CG2 VAL A 617 6.274 0.106 12.037 1.00 24.13 C ATOM 0 H VAL A 617 9.413 -0.718 9.695 1.00 3.52 H new ATOM 0 HA VAL A 617 6.685 -1.475 9.855 1.00 50.44 H new ATOM 0 HB VAL A 617 8.087 -0.994 11.833 1.00 70.34 H new ATOM 0 HG11 VAL A 617 8.671 1.327 12.408 1.00 11.35 H new ATOM 0 HG12 VAL A 617 9.451 0.805 10.896 1.00 11.35 H new ATOM 0 HG13 VAL A 617 8.029 1.873 10.841 1.00 11.35 H new ATOM 0 HG21 VAL A 617 6.477 0.402 13.066 1.00 24.13 H new ATOM 0 HG22 VAL A 617 5.744 0.910 11.526 1.00 24.13 H new ATOM 0 HG23 VAL A 617 5.659 -0.794 12.033 1.00 24.13 H new ATOM 864 N ASP A 618 7.415 1.437 8.542 1.00 71.40 N ATOM 865 CA ASP A 618 6.871 2.574 7.810 1.00 72.20 C ATOM 866 C ASP A 618 5.841 2.117 6.782 1.00 30.30 C ATOM 867 O ASP A 618 4.728 2.641 6.726 1.00 14.35 O ATOM 868 CB ASP A 618 7.994 3.346 7.115 1.00 62.35 C ATOM 869 CG ASP A 618 8.310 4.657 7.808 1.00 75.35 C ATOM 870 OD1 ASP A 618 8.149 4.729 9.044 1.00 63.34 O ATOM 871 OD2 ASP A 618 8.717 5.613 7.114 1.00 3.21 O ATOM 0 H ASP A 618 8.434 1.394 8.557 1.00 71.40 H new ATOM 0 HA ASP A 618 6.377 3.231 8.526 1.00 72.20 H new ATOM 0 HB2 ASP A 618 8.892 2.728 7.086 1.00 62.35 H new ATOM 0 HB3 ASP A 618 7.709 3.544 6.082 1.00 62.35 H new ATOM 875 N LEU A 619 6.219 1.136 5.969 1.00 74.02 N ATOM 876 CA LEU A 619 5.329 0.608 4.942 1.00 11.52 C ATOM 877 C LEU A 619 4.180 -0.177 5.567 1.00 20.31 C ATOM 878 O LEU A 619 3.105 -0.299 4.980 1.00 2.13 O ATOM 879 CB LEU A 619 6.108 -0.288 3.976 1.00 13.43 C ATOM 880 CG LEU A 619 6.367 -1.718 4.448 1.00 5.11 C ATOM 881 CD1 LEU A 619 5.379 -2.679 3.805 1.00 24.32 C ATOM 882 CD2 LEU A 619 7.797 -2.132 4.134 1.00 65.01 C ATOM 0 H LEU A 619 7.136 0.691 6.002 1.00 74.02 H new ATOM 0 HA LEU A 619 4.911 1.450 4.391 1.00 11.52 H new ATOM 0 HB2 LEU A 619 5.563 -0.331 3.033 1.00 13.43 H new ATOM 0 HB3 LEU A 619 7.068 0.184 3.768 1.00 13.43 H new ATOM 0 HG LEU A 619 6.228 -1.755 5.528 1.00 5.11 H new ATOM 0 HD11 LEU A 619 5.579 -3.693 4.153 1.00 24.32 H new ATOM 0 HD12 LEU A 619 4.363 -2.394 4.080 1.00 24.32 H new ATOM 0 HD13 LEU A 619 5.486 -2.640 2.721 1.00 24.32 H new ATOM 0 HD21 LEU A 619 7.964 -3.153 4.477 1.00 65.01 H new ATOM 0 HD22 LEU A 619 7.963 -2.079 3.058 1.00 65.01 H new ATOM 0 HD23 LEU A 619 8.490 -1.461 4.642 1.00 65.01 H new ATOM 893 N LYS A 620 4.415 -0.707 6.763 1.00 33.22 N ATOM 894 CA LYS A 620 3.401 -1.477 7.472 1.00 4.55 C ATOM 895 C LYS A 620 2.271 -0.574 7.957 1.00 12.24 C ATOM 896 O LYS A 620 1.104 -0.963 7.945 1.00 43.33 O ATOM 897 CB LYS A 620 4.026 -2.212 8.659 1.00 45.22 C ATOM 898 CG LYS A 620 3.095 -3.222 9.307 1.00 41.54 C ATOM 899 CD LYS A 620 2.629 -4.271 8.312 1.00 24.34 C ATOM 900 CE LYS A 620 1.895 -5.409 9.004 1.00 43.34 C ATOM 901 NZ LYS A 620 0.999 -6.143 8.067 1.00 74.00 N ATOM 0 H LYS A 620 5.300 -0.617 7.262 1.00 33.22 H new ATOM 0 HA LYS A 620 2.986 -2.208 6.778 1.00 4.55 H new ATOM 0 HB2 LYS A 620 4.928 -2.724 8.324 1.00 45.22 H new ATOM 0 HB3 LYS A 620 4.333 -1.481 9.407 1.00 45.22 H new ATOM 0 HG2 LYS A 620 3.607 -3.709 10.137 1.00 41.54 H new ATOM 0 HG3 LYS A 620 2.230 -2.706 9.724 1.00 41.54 H new ATOM 0 HD2 LYS A 620 1.973 -3.808 7.575 1.00 24.34 H new ATOM 0 HD3 LYS A 620 3.488 -4.667 7.770 1.00 24.34 H new ATOM 0 HE2 LYS A 620 2.620 -6.102 9.431 1.00 43.34 H new ATOM 0 HE3 LYS A 620 1.308 -5.012 9.832 1.00 43.34 H new ATOM 0 HZ1 LYS A 620 0.517 -6.911 8.577 1.00 74.00 H new ATOM 0 HZ2 LYS A 620 0.291 -5.488 7.679 1.00 74.00 H new ATOM 0 HZ3 LYS A 620 1.562 -6.544 7.290 1.00 74.00 H new ATOM 911 N ASP A 621 2.627 0.634 8.380 1.00 52.42 N ATOM 912 CA ASP A 621 1.642 1.594 8.867 1.00 33.33 C ATOM 913 C ASP A 621 0.800 2.138 7.717 1.00 42.21 C ATOM 914 O ASP A 621 -0.421 2.248 7.826 1.00 63.11 O ATOM 915 CB ASP A 621 2.339 2.745 9.595 1.00 2.05 C ATOM 916 CG ASP A 621 3.096 2.279 10.823 1.00 54.52 C ATOM 917 OD1 ASP A 621 2.466 1.667 11.712 1.00 32.05 O ATOM 918 OD2 ASP A 621 4.317 2.528 10.897 1.00 1.34 O ATOM 0 H ASP A 621 3.589 0.972 8.396 1.00 52.42 H new ATOM 0 HA ASP A 621 0.982 1.079 9.565 1.00 33.33 H new ATOM 0 HB2 ASP A 621 3.030 3.238 8.911 1.00 2.05 H new ATOM 0 HB3 ASP A 621 1.597 3.487 9.889 1.00 2.05 H new ATOM 922 N LYS A 622 1.460 2.480 6.616 1.00 24.33 N ATOM 923 CA LYS A 622 0.773 3.012 5.446 1.00 34.40 C ATOM 924 C LYS A 622 -0.261 2.020 4.923 1.00 75.10 C ATOM 925 O LYS A 622 -1.355 2.408 4.515 1.00 12.02 O ATOM 926 CB LYS A 622 1.782 3.341 4.343 1.00 72.12 C ATOM 927 CG LYS A 622 2.185 4.806 4.305 1.00 25.05 C ATOM 928 CD LYS A 622 2.920 5.215 5.570 1.00 22.23 C ATOM 929 CE LYS A 622 1.995 5.920 6.549 1.00 0.22 C ATOM 930 NZ LYS A 622 2.743 6.811 7.477 1.00 64.41 N ATOM 0 H LYS A 622 2.471 2.398 6.510 1.00 24.33 H new ATOM 0 HA LYS A 622 0.257 3.925 5.743 1.00 34.40 H new ATOM 0 HB2 LYS A 622 2.674 2.731 4.484 1.00 72.12 H new ATOM 0 HB3 LYS A 622 1.356 3.065 3.378 1.00 72.12 H new ATOM 0 HG2 LYS A 622 2.821 4.987 3.439 1.00 25.05 H new ATOM 0 HG3 LYS A 622 1.297 5.426 4.183 1.00 25.05 H new ATOM 0 HD2 LYS A 622 3.349 4.332 6.044 1.00 22.23 H new ATOM 0 HD3 LYS A 622 3.750 5.874 5.313 1.00 22.23 H new ATOM 0 HE2 LYS A 622 1.260 6.506 5.997 1.00 0.22 H new ATOM 0 HE3 LYS A 622 1.443 5.178 7.125 1.00 0.22 H new ATOM 0 HZ1 LYS A 622 2.076 7.273 8.128 1.00 64.41 H new ATOM 0 HZ2 LYS A 622 3.426 6.248 8.023 1.00 64.41 H new ATOM 0 HZ3 LYS A 622 3.250 7.535 6.930 1.00 64.41 H new ATOM 940 N TRP A 623 0.093 0.740 4.940 1.00 40.43 N ATOM 941 CA TRP A 623 -0.807 -0.307 4.469 1.00 61.41 C ATOM 942 C TRP A 623 -1.984 -0.482 5.421 1.00 3.12 C ATOM 943 O TRP A 623 -3.135 -0.566 4.992 1.00 75.03 O ATOM 944 CB TRP A 623 -0.051 -1.629 4.324 1.00 71.52 C ATOM 945 CG TRP A 623 -0.953 -2.815 4.162 1.00 53.24 C ATOM 946 CD1 TRP A 623 -1.530 -3.547 5.160 1.00 3.01 C ATOM 947 CD2 TRP A 623 -1.381 -3.405 2.929 1.00 63.32 C ATOM 948 NE1 TRP A 623 -2.290 -4.558 4.622 1.00 0.43 N ATOM 949 CE2 TRP A 623 -2.216 -4.491 3.255 1.00 65.52 C ATOM 950 CE3 TRP A 623 -1.141 -3.120 1.583 1.00 32.23 C ATOM 951 CZ2 TRP A 623 -2.809 -5.292 2.283 1.00 53.20 C ATOM 952 CZ3 TRP A 623 -1.730 -3.916 0.619 1.00 53.21 C ATOM 953 CH2 TRP A 623 -2.556 -4.990 0.972 1.00 12.21 C ATOM 0 H TRP A 623 0.996 0.402 5.274 1.00 40.43 H new ATOM 0 HA TRP A 623 -1.194 -0.008 3.495 1.00 61.41 H new ATOM 0 HB2 TRP A 623 0.613 -1.567 3.462 1.00 71.52 H new ATOM 0 HB3 TRP A 623 0.578 -1.777 5.202 1.00 71.52 H new ATOM 0 HD1 TRP A 623 -1.407 -3.359 6.216 1.00 3.01 H new ATOM 0 HE1 TRP A 623 -2.823 -5.246 5.154 1.00 0.43 H new ATOM 0 HE3 TRP A 623 -0.507 -2.293 1.301 1.00 32.23 H new ATOM 0 HZ2 TRP A 623 -3.446 -6.122 2.553 1.00 53.20 H new ATOM 0 HZ3 TRP A 623 -1.550 -3.706 -0.425 1.00 53.21 H new ATOM 0 HH2 TRP A 623 -3.002 -5.592 0.195 1.00 12.21 H new ATOM 963 N LYS A 624 -1.690 -0.538 6.715 1.00 71.14 N ATOM 964 CA LYS A 624 -2.724 -0.701 7.730 1.00 22.01 C ATOM 965 C LYS A 624 -3.856 0.299 7.519 1.00 13.22 C ATOM 966 O LYS A 624 -5.032 -0.067 7.524 1.00 65.42 O ATOM 967 CB LYS A 624 -2.128 -0.527 9.129 1.00 14.42 C ATOM 968 CG LYS A 624 -2.984 -1.122 10.233 1.00 40.25 C ATOM 969 CD LYS A 624 -3.065 -0.198 11.436 1.00 61.20 C ATOM 970 CE LYS A 624 -4.503 0.195 11.742 1.00 63.34 C ATOM 971 NZ LYS A 624 -4.816 1.569 11.264 1.00 55.35 N ATOM 0 H LYS A 624 -0.742 -0.473 7.086 1.00 71.14 H new ATOM 0 HA LYS A 624 -3.131 -1.708 7.639 1.00 22.01 H new ATOM 0 HB2 LYS A 624 -1.142 -0.991 9.155 1.00 14.42 H new ATOM 0 HB3 LYS A 624 -1.985 0.536 9.324 1.00 14.42 H new ATOM 0 HG2 LYS A 624 -3.987 -1.314 9.853 1.00 40.25 H new ATOM 0 HG3 LYS A 624 -2.569 -2.083 10.538 1.00 40.25 H new ATOM 0 HD2 LYS A 624 -2.629 -0.691 12.305 1.00 61.20 H new ATOM 0 HD3 LYS A 624 -2.474 0.698 11.248 1.00 61.20 H new ATOM 0 HE2 LYS A 624 -5.182 -0.516 11.272 1.00 63.34 H new ATOM 0 HE3 LYS A 624 -4.675 0.137 12.817 1.00 63.34 H new ATOM 0 HZ1 LYS A 624 -5.576 1.975 11.847 1.00 55.35 H new ATOM 0 HZ2 LYS A 624 -3.967 2.165 11.339 1.00 55.35 H new ATOM 0 HZ3 LYS A 624 -5.125 1.529 10.272 1.00 55.35 H new ATOM 981 N THR A 625 -3.495 1.565 7.331 1.00 22.45 N ATOM 982 CA THR A 625 -4.479 2.617 7.117 1.00 72.13 C ATOM 983 C THR A 625 -5.104 2.513 5.731 1.00 63.41 C ATOM 984 O THR A 625 -6.248 2.919 5.522 1.00 71.23 O ATOM 985 CB THR A 625 -3.852 4.015 7.282 1.00 62.53 C ATOM 986 OG1 THR A 625 -4.864 5.021 7.174 1.00 74.33 O ATOM 987 CG2 THR A 625 -2.778 4.253 6.231 1.00 50.11 C ATOM 0 H THR A 625 -2.527 1.886 7.323 1.00 22.45 H new ATOM 0 HA THR A 625 -5.254 2.483 7.872 1.00 72.13 H new ATOM 0 HB THR A 625 -3.391 4.069 8.268 1.00 62.53 H new ATOM 0 HG1 THR A 625 -4.458 5.906 7.281 1.00 74.33 H new ATOM 0 HG21 THR A 625 -2.350 5.246 6.367 1.00 50.11 H new ATOM 0 HG22 THR A 625 -1.995 3.502 6.335 1.00 50.11 H new ATOM 0 HG23 THR A 625 -3.219 4.181 5.237 1.00 50.11 H new ATOM 995 N LEU A 626 -4.347 1.966 4.786 1.00 11.23 N ATOM 996 CA LEU A 626 -4.827 1.808 3.418 1.00 24.05 C ATOM 997 C LEU A 626 -6.018 0.856 3.366 1.00 3.43 C ATOM 998 O LEU A 626 -7.087 1.208 2.865 1.00 52.14 O ATOM 999 CB LEU A 626 -3.704 1.288 2.519 1.00 41.54 C ATOM 1000 CG LEU A 626 -3.497 2.038 1.202 1.00 65.25 C ATOM 1001 CD1 LEU A 626 -2.370 1.404 0.400 1.00 13.43 C ATOM 1002 CD2 LEU A 626 -4.785 2.059 0.392 1.00 25.22 C ATOM 0 H LEU A 626 -3.399 1.625 4.942 1.00 11.23 H new ATOM 0 HA LEU A 626 -5.150 2.785 3.057 1.00 24.05 H new ATOM 0 HB2 LEU A 626 -2.771 1.319 3.082 1.00 41.54 H new ATOM 0 HB3 LEU A 626 -3.904 0.241 2.290 1.00 41.54 H new ATOM 0 HG LEU A 626 -3.219 3.067 1.431 1.00 65.25 H new ATOM 0 HD11 LEU A 626 -2.236 1.950 -0.534 1.00 13.43 H new ATOM 0 HD12 LEU A 626 -1.446 1.442 0.978 1.00 13.43 H new ATOM 0 HD13 LEU A 626 -2.619 0.366 0.181 1.00 13.43 H new ATOM 0 HD21 LEU A 626 -4.619 2.597 -0.542 1.00 25.22 H new ATOM 0 HD22 LEU A 626 -5.093 1.037 0.172 1.00 25.22 H new ATOM 0 HD23 LEU A 626 -5.567 2.559 0.964 1.00 25.22 H new ATOM 1013 N VAL A 627 -5.827 -0.352 3.887 1.00 74.21 N ATOM 1014 CA VAL A 627 -6.886 -1.354 3.904 1.00 10.24 C ATOM 1015 C VAL A 627 -8.104 -0.854 4.670 1.00 53.42 C ATOM 1016 O VAL A 627 -9.240 -1.006 4.220 1.00 11.41 O ATOM 1017 CB VAL A 627 -6.401 -2.672 4.536 1.00 11.45 C ATOM 1018 CG1 VAL A 627 -5.809 -2.418 5.913 1.00 52.14 C ATOM 1019 CG2 VAL A 627 -7.542 -3.676 4.613 1.00 71.30 C ATOM 0 H VAL A 627 -4.948 -0.660 4.303 1.00 74.21 H new ATOM 0 HA VAL A 627 -7.164 -1.538 2.866 1.00 10.24 H new ATOM 0 HB VAL A 627 -5.619 -3.093 3.904 1.00 11.45 H new ATOM 0 HG11 VAL A 627 -5.472 -3.361 6.344 1.00 52.14 H new ATOM 0 HG12 VAL A 627 -4.963 -1.736 5.825 1.00 52.14 H new ATOM 0 HG13 VAL A 627 -6.567 -1.975 6.559 1.00 52.14 H new ATOM 0 HG21 VAL A 627 -7.182 -4.602 5.062 1.00 71.30 H new ATOM 0 HG22 VAL A 627 -8.347 -3.266 5.223 1.00 71.30 H new ATOM 0 HG23 VAL A 627 -7.915 -3.880 3.609 1.00 71.30 H new ATOM 1029 N HIS A 628 -7.862 -0.254 5.831 1.00 73.43 N ATOM 1030 CA HIS A 628 -8.940 0.271 6.662 1.00 32.11 C ATOM 1031 C HIS A 628 -9.728 1.343 5.914 1.00 45.15 C ATOM 1032 O HIS A 628 -10.911 1.556 6.179 1.00 54.42 O ATOM 1033 CB HIS A 628 -8.377 0.848 7.961 1.00 20.23 C ATOM 1034 CG HIS A 628 -8.272 -0.156 9.067 1.00 24.04 C ATOM 1035 ND1 HIS A 628 -7.768 0.146 10.313 1.00 62.12 N ATOM 1036 CD2 HIS A 628 -8.613 -1.466 9.108 1.00 71.20 C ATOM 1037 CE1 HIS A 628 -7.801 -0.933 11.074 1.00 25.41 C ATOM 1038 NE2 HIS A 628 -8.309 -1.927 10.366 1.00 55.41 N ATOM 0 H HIS A 628 -6.928 -0.119 6.218 1.00 73.43 H new ATOM 0 HA HIS A 628 -9.615 -0.551 6.902 1.00 32.11 H new ATOM 0 HB2 HIS A 628 -7.389 1.265 7.765 1.00 20.23 H new ATOM 0 HB3 HIS A 628 -9.012 1.671 8.288 1.00 20.23 H new ATOM 0 HD2 HIS A 628 -9.044 -2.041 8.302 1.00 71.20 H new ATOM 0 HE1 HIS A 628 -7.469 -0.993 12.100 1.00 25.41 H new ATOM 0 HE2 HIS A 628 -8.452 -2.880 10.699 1.00 55.41 H new ATOM 1045 N THR A 629 -9.064 2.015 4.979 1.00 70.24 N ATOM 1046 CA THR A 629 -9.701 3.066 4.195 1.00 71.15 C ATOM 1047 C THR A 629 -10.615 2.477 3.128 1.00 1.23 C ATOM 1048 O THR A 629 -11.608 3.092 2.739 1.00 1.02 O ATOM 1049 CB THR A 629 -8.657 3.973 3.519 1.00 33.20 C ATOM 1050 OG1 THR A 629 -8.039 4.822 4.494 1.00 4.13 O ATOM 1051 CG2 THR A 629 -9.301 4.824 2.434 1.00 33.31 C ATOM 0 H THR A 629 -8.085 1.850 4.746 1.00 70.24 H new ATOM 0 HA THR A 629 -10.294 3.663 4.888 1.00 71.15 H new ATOM 0 HB THR A 629 -7.900 3.338 3.060 1.00 33.20 H new ATOM 0 HG1 THR A 629 -7.344 4.321 4.970 1.00 4.13 H new ATOM 0 HG21 THR A 629 -8.544 5.457 1.971 1.00 33.31 H new ATOM 0 HG22 THR A 629 -9.744 4.176 1.678 1.00 33.31 H new ATOM 0 HG23 THR A 629 -10.077 5.450 2.875 1.00 33.31 H new ATOM 1059 N ALA A 630 -10.274 1.281 2.656 1.00 74.23 N ATOM 1060 CA ALA A 630 -11.066 0.609 1.635 1.00 22.15 C ATOM 1061 C ALA A 630 -12.531 0.516 2.048 1.00 22.02 C ATOM 1062 O ALA A 630 -13.426 0.857 1.276 1.00 20.12 O ATOM 1063 CB ALA A 630 -10.504 -0.778 1.360 1.00 33.11 C ATOM 0 H ALA A 630 -9.454 0.759 2.965 1.00 74.23 H new ATOM 0 HA ALA A 630 -11.011 1.200 0.721 1.00 22.15 H new ATOM 0 HB1 ALA A 630 -11.105 -1.269 0.595 1.00 33.11 H new ATOM 0 HB2 ALA A 630 -9.475 -0.691 1.012 1.00 33.11 H new ATOM 0 HB3 ALA A 630 -10.529 -1.369 2.276 1.00 33.11 H new ATOM 1069 N SER A 631 -12.767 0.051 3.271 1.00 52.40 N ATOM 1070 CA SER A 631 -14.124 -0.090 3.785 1.00 3.01 C ATOM 1071 C SER A 631 -14.128 -0.860 5.102 1.00 44.34 C ATOM 1072 O SER A 631 -14.610 -1.991 5.171 1.00 70.42 O ATOM 1073 CB SER A 631 -15.008 -0.806 2.761 1.00 31.00 C ATOM 1074 OG SER A 631 -15.766 0.123 2.005 1.00 35.13 O ATOM 0 H SER A 631 -12.037 -0.234 3.923 1.00 52.40 H new ATOM 0 HA SER A 631 -14.524 0.908 3.965 1.00 3.01 H new ATOM 0 HB2 SER A 631 -14.387 -1.402 2.093 1.00 31.00 H new ATOM 0 HB3 SER A 631 -15.678 -1.496 3.274 1.00 31.00 H new ATOM 0 HG SER A 631 -15.188 0.554 1.342 1.00 35.13 H new ATOM 1079 N ILE A 632 -13.588 -0.239 6.145 1.00 73.44 N ATOM 1080 CA ILE A 632 -13.529 -0.864 7.460 1.00 55.34 C ATOM 1081 C ILE A 632 -14.051 0.078 8.540 1.00 52.41 C ATOM 1082 O ILE A 632 -15.168 -0.082 9.032 1.00 63.41 O ATOM 1083 CB ILE A 632 -12.093 -1.291 7.817 1.00 54.34 C ATOM 1084 CG1 ILE A 632 -11.688 -2.522 7.005 1.00 61.14 C ATOM 1085 CG2 ILE A 632 -11.980 -1.572 9.309 1.00 34.14 C ATOM 1086 CD1 ILE A 632 -11.420 -2.223 5.548 1.00 13.24 C ATOM 0 H ILE A 632 -13.185 0.697 6.105 1.00 73.44 H new ATOM 0 HA ILE A 632 -14.162 -1.750 7.417 1.00 55.34 H new ATOM 0 HB ILE A 632 -11.414 -0.476 7.568 1.00 54.34 H new ATOM 0 HG12 ILE A 632 -10.794 -2.961 7.448 1.00 61.14 H new ATOM 0 HG13 ILE A 632 -12.478 -3.269 7.075 1.00 61.14 H new ATOM 0 HG21 ILE A 632 -10.960 -1.873 9.546 1.00 34.14 H new ATOM 0 HG22 ILE A 632 -12.233 -0.672 9.869 1.00 34.14 H new ATOM 0 HG23 ILE A 632 -12.667 -2.373 9.581 1.00 34.14 H new ATOM 0 HD11 ILE A 632 -11.138 -3.142 5.034 1.00 13.24 H new ATOM 0 HD12 ILE A 632 -12.319 -1.812 5.090 1.00 13.24 H new ATOM 0 HD13 ILE A 632 -10.609 -1.499 5.468 1.00 13.24 H new ATOM 1097 N ALA A 633 -13.235 1.063 8.904 1.00 1.34 N ATOM 1098 CA ALA A 633 -13.615 2.034 9.922 1.00 44.25 C ATOM 1099 C ALA A 633 -14.003 3.367 9.293 1.00 14.22 C ATOM 1100 O ALA A 633 -13.331 3.876 8.395 1.00 63.04 O ATOM 1101 CB ALA A 633 -12.480 2.227 10.916 1.00 41.11 C ATOM 0 H ALA A 633 -12.306 1.209 8.508 1.00 1.34 H new ATOM 0 HA ALA A 633 -14.485 1.646 10.451 1.00 44.25 H new ATOM 0 HB1 ALA A 633 -12.777 2.955 11.671 1.00 41.11 H new ATOM 0 HB2 ALA A 633 -12.253 1.276 11.398 1.00 41.11 H new ATOM 0 HB3 ALA A 633 -11.595 2.588 10.392 1.00 41.11 H new ATOM 1107 N PRO A 634 -15.114 3.948 9.771 1.00 22.42 N ATOM 1108 CA PRO A 634 -15.616 5.230 9.269 1.00 32.41 C ATOM 1109 C PRO A 634 -14.717 6.399 9.661 1.00 4.52 C ATOM 1110 O PRO A 634 -14.484 7.308 8.865 1.00 64.10 O ATOM 1111 CB PRO A 634 -16.986 5.361 9.937 1.00 53.02 C ATOM 1112 CG PRO A 634 -16.884 4.539 11.176 1.00 35.15 C ATOM 1113 CD PRO A 634 -15.964 3.397 10.840 1.00 13.13 C ATOM 0 HA PRO A 634 -15.654 5.254 8.180 1.00 32.41 H new ATOM 0 HB2 PRO A 634 -17.215 6.401 10.170 1.00 53.02 H new ATOM 0 HB3 PRO A 634 -17.781 4.998 9.285 1.00 53.02 H new ATOM 0 HG2 PRO A 634 -16.489 5.128 12.004 1.00 35.15 H new ATOM 0 HG3 PRO A 634 -17.864 4.174 11.484 1.00 35.15 H new ATOM 0 HD2 PRO A 634 -15.375 3.088 11.703 1.00 13.13 H new ATOM 0 HD3 PRO A 634 -16.518 2.521 10.502 1.00 13.13 H new ATOM 1118 N GLN A 635 -14.217 6.366 10.891 1.00 62.34 N ATOM 1119 CA GLN A 635 -13.344 7.424 11.388 1.00 45.13 C ATOM 1120 C GLN A 635 -11.930 7.266 10.839 1.00 11.23 C ATOM 1121 O GLN A 635 -11.112 8.179 10.937 1.00 32.31 O ATOM 1122 CB GLN A 635 -13.314 7.412 12.917 1.00 64.32 C ATOM 1123 CG GLN A 635 -12.651 6.175 13.504 1.00 54.41 C ATOM 1124 CD GLN A 635 -12.949 5.998 14.979 1.00 63.15 C ATOM 1125 OE1 GLN A 635 -13.811 6.677 15.537 1.00 72.41 O ATOM 1126 NE2 GLN A 635 -12.235 5.081 15.622 1.00 2.34 N ATOM 0 H GLN A 635 -14.400 5.620 11.562 1.00 62.34 H new ATOM 0 HA GLN A 635 -13.742 8.380 11.046 1.00 45.13 H new ATOM 0 HB2 GLN A 635 -12.786 8.298 13.269 1.00 64.32 H new ATOM 0 HB3 GLN A 635 -14.335 7.479 13.293 1.00 64.32 H new ATOM 0 HG2 GLN A 635 -12.990 5.293 12.960 1.00 54.41 H new ATOM 0 HG3 GLN A 635 -11.573 6.243 13.361 1.00 54.41 H new ATOM 0 HE21 GLN A 635 -11.530 4.540 15.121 1.00 2.34 H new ATOM 0 HE22 GLN A 635 -12.392 4.918 16.617 1.00 2.34 H new ATOM 1133 N GLN A 636 -11.652 6.101 10.261 1.00 34.11 N ATOM 1134 CA GLN A 636 -10.336 5.825 9.697 1.00 21.11 C ATOM 1135 C GLN A 636 -10.195 6.450 8.312 1.00 42.44 C ATOM 1136 O GLN A 636 -9.147 6.342 7.677 1.00 33.41 O ATOM 1137 CB GLN A 636 -10.100 4.315 9.614 1.00 53.45 C ATOM 1138 CG GLN A 636 -9.635 3.701 10.925 1.00 33.25 C ATOM 1139 CD GLN A 636 -8.176 3.992 11.221 1.00 3.41 C ATOM 1140 OE1 GLN A 636 -7.857 4.779 12.113 1.00 13.45 O ATOM 1141 NE2 GLN A 636 -7.282 3.357 10.472 1.00 44.42 N ATOM 0 H GLN A 636 -12.319 5.335 10.171 1.00 34.11 H new ATOM 0 HA GLN A 636 -9.587 6.268 10.354 1.00 21.11 H new ATOM 0 HB2 GLN A 636 -11.023 3.828 9.301 1.00 53.45 H new ATOM 0 HB3 GLN A 636 -9.356 4.113 8.843 1.00 53.45 H new ATOM 0 HG2 GLN A 636 -10.250 4.084 11.739 1.00 33.25 H new ATOM 0 HG3 GLN A 636 -9.787 2.622 10.891 1.00 33.25 H new ATOM 0 HE21 GLN A 636 -7.592 2.713 9.744 1.00 44.42 H new ATOM 0 HE22 GLN A 636 -6.286 3.513 10.625 1.00 44.42 H new ATOM 1148 N ARG A 637 -11.257 7.101 7.852 1.00 40.41 N ATOM 1149 CA ARG A 637 -11.253 7.741 6.542 1.00 13.11 C ATOM 1150 C ARG A 637 -10.192 8.837 6.476 1.00 22.32 C ATOM 1151 O ARG A 637 -10.281 9.844 7.179 1.00 31.23 O ATOM 1152 CB ARG A 637 -12.630 8.332 6.234 1.00 62.51 C ATOM 1153 CG ARG A 637 -13.118 9.318 7.282 1.00 42.23 C ATOM 1154 CD ARG A 637 -14.600 9.616 7.119 1.00 12.12 C ATOM 1155 NE ARG A 637 -15.230 9.974 8.388 1.00 61.51 N ATOM 1156 CZ ARG A 637 -16.544 10.063 8.556 1.00 74.04 C ATOM 1157 NH1 ARG A 637 -17.363 9.823 7.544 1.00 1.34 N ATOM 1158 NH2 ARG A 637 -17.040 10.395 9.742 1.00 2.20 N ATOM 0 H ARG A 637 -12.132 7.200 8.367 1.00 40.41 H new ATOM 0 HA ARG A 637 -11.016 6.982 5.796 1.00 13.11 H new ATOM 0 HB2 ARG A 637 -12.593 8.832 5.266 1.00 62.51 H new ATOM 0 HB3 ARG A 637 -13.353 7.521 6.146 1.00 62.51 H new ATOM 0 HG2 ARG A 637 -12.934 8.913 8.277 1.00 42.23 H new ATOM 0 HG3 ARG A 637 -12.549 10.244 7.205 1.00 42.23 H new ATOM 0 HD2 ARG A 637 -14.730 10.431 6.407 1.00 12.12 H new ATOM 0 HD3 ARG A 637 -15.101 8.744 6.699 1.00 12.12 H new ATOM 0 HE ARG A 637 -14.627 10.166 9.188 1.00 61.51 H new ATOM 0 HH11 ARG A 637 -16.985 9.569 6.631 1.00 1.34 H new ATOM 0 HH12 ARG A 637 -18.372 9.892 7.677 1.00 1.34 H new ATOM 0 HH21 ARG A 637 -16.412 10.582 10.524 1.00 2.20 H new ATOM 0 HH22 ARG A 637 -18.049 10.464 9.872 1.00 2.20 H new ATOM 1169 N ARG A 638 -9.189 8.631 5.628 1.00 71.33 N ATOM 1170 CA ARG A 638 -8.111 9.600 5.472 1.00 43.05 C ATOM 1171 C ARG A 638 -8.636 10.911 4.893 1.00 64.21 C ATOM 1172 O ARG A 638 -7.956 11.935 4.932 1.00 3.32 O ATOM 1173 CB ARG A 638 -7.015 9.034 4.568 1.00 61.21 C ATOM 1174 CG ARG A 638 -5.944 8.261 5.319 1.00 71.24 C ATOM 1175 CD ARG A 638 -4.581 8.413 4.661 1.00 5.52 C ATOM 1176 NE ARG A 638 -4.292 7.316 3.741 1.00 52.31 N ATOM 1177 CZ ARG A 638 -3.072 7.024 3.306 1.00 5.24 C ATOM 1178 NH1 ARG A 638 -2.032 7.742 3.706 1.00 73.20 N ATOM 1179 NH2 ARG A 638 -2.890 6.009 2.470 1.00 33.44 N ATOM 0 H ARG A 638 -9.101 7.803 5.039 1.00 71.33 H new ATOM 0 HA ARG A 638 -7.692 9.801 6.458 1.00 43.05 H new ATOM 0 HB2 ARG A 638 -7.471 8.379 3.826 1.00 61.21 H new ATOM 0 HB3 ARG A 638 -6.545 9.854 4.024 1.00 61.21 H new ATOM 0 HG2 ARG A 638 -5.893 8.615 6.349 1.00 71.24 H new ATOM 0 HG3 ARG A 638 -6.215 7.206 5.357 1.00 71.24 H new ATOM 0 HD2 ARG A 638 -4.543 9.359 4.121 1.00 5.52 H new ATOM 0 HD3 ARG A 638 -3.810 8.454 5.430 1.00 5.52 H new ATOM 0 HE ARG A 638 -5.070 6.743 3.415 1.00 52.31 H new ATOM 0 HH11 ARG A 638 -2.168 8.521 4.350 1.00 73.20 H new ATOM 0 HH12 ARG A 638 -1.096 7.515 3.370 1.00 73.20 H new ATOM 0 HH21 ARG A 638 -3.688 5.453 2.162 1.00 33.44 H new ATOM 0 HH22 ARG A 638 -1.953 5.785 2.136 1.00 33.44 H new ATOM 1190 N GLY A 639 -9.852 10.869 4.356 1.00 13.22 N ATOM 1191 CA GLY A 639 -10.448 12.058 3.777 1.00 32.15 C ATOM 1192 C GLY A 639 -9.989 12.301 2.352 1.00 11.54 C ATOM 1193 O GLY A 639 -10.809 12.432 1.444 1.00 25.13 O ATOM 0 H GLY A 639 -10.434 10.033 4.312 1.00 13.22 H new ATOM 0 HA2 GLY A 639 -11.534 11.962 3.795 1.00 32.15 H new ATOM 0 HA3 GLY A 639 -10.195 12.923 4.390 1.00 32.15 H new ATOM 1197 N GLU A 640 -8.676 12.362 2.156 1.00 55.22 N ATOM 1198 CA GLU A 640 -8.111 12.593 0.832 1.00 34.01 C ATOM 1199 C GLU A 640 -8.679 11.605 -0.181 1.00 20.14 C ATOM 1200 O GLU A 640 -9.111 10.505 0.161 1.00 44.44 O ATOM 1201 CB GLU A 640 -6.586 12.476 0.876 1.00 34.21 C ATOM 1202 CG GLU A 640 -6.088 11.043 0.950 1.00 74.31 C ATOM 1203 CD GLU A 640 -4.575 10.950 0.935 1.00 60.10 C ATOM 1204 OE1 GLU A 640 -3.925 11.922 0.495 1.00 12.43 O ATOM 1205 OE2 GLU A 640 -4.039 9.906 1.363 1.00 11.33 O ATOM 0 H GLU A 640 -7.984 12.255 2.897 1.00 55.22 H new ATOM 0 HA GLU A 640 -8.381 13.602 0.521 1.00 34.01 H new ATOM 0 HB2 GLU A 640 -6.168 12.952 -0.011 1.00 34.21 H new ATOM 0 HB3 GLU A 640 -6.212 13.027 1.739 1.00 34.21 H new ATOM 0 HG2 GLU A 640 -6.468 10.577 1.859 1.00 74.31 H new ATOM 0 HG3 GLU A 640 -6.491 10.478 0.110 1.00 74.31 H new ATOM 1210 N PRO A 641 -8.681 12.006 -1.462 1.00 60.34 N ATOM 1211 CA PRO A 641 -9.193 11.170 -2.552 1.00 33.21 C ATOM 1212 C PRO A 641 -8.300 9.965 -2.828 1.00 32.31 C ATOM 1213 O PRO A 641 -7.115 10.114 -3.128 1.00 2.25 O ATOM 1214 CB PRO A 641 -9.196 12.119 -3.753 1.00 13.44 C ATOM 1215 CG PRO A 641 -8.155 13.135 -3.438 1.00 73.44 C ATOM 1216 CD PRO A 641 -8.181 13.305 -1.944 1.00 51.34 C ATOM 0 HA PRO A 641 -10.172 10.750 -2.319 1.00 33.21 H new ATOM 0 HB2 PRO A 641 -8.964 11.589 -4.677 1.00 13.44 H new ATOM 0 HB3 PRO A 641 -10.173 12.583 -3.888 1.00 13.44 H new ATOM 0 HG2 PRO A 641 -7.173 12.805 -3.776 1.00 73.44 H new ATOM 0 HG3 PRO A 641 -8.365 14.078 -3.942 1.00 73.44 H new ATOM 0 HD2 PRO A 641 -7.190 13.527 -1.547 1.00 51.34 H new ATOM 0 HD3 PRO A 641 -8.835 14.124 -1.644 1.00 51.34 H new ATOM 1221 N VAL A 642 -8.875 8.772 -2.725 1.00 61.25 N ATOM 1222 CA VAL A 642 -8.131 7.541 -2.964 1.00 51.42 C ATOM 1223 C VAL A 642 -8.759 6.731 -4.093 1.00 71.32 C ATOM 1224 O VAL A 642 -9.980 6.630 -4.213 1.00 51.12 O ATOM 1225 CB VAL A 642 -8.066 6.669 -1.696 1.00 1.43 C ATOM 1226 CG1 VAL A 642 -7.528 7.473 -0.522 1.00 3.11 C ATOM 1227 CG2 VAL A 642 -9.437 6.092 -1.375 1.00 61.21 C ATOM 0 H VAL A 642 -9.854 8.631 -2.477 1.00 61.25 H new ATOM 0 HA VAL A 642 -7.120 7.832 -3.248 1.00 51.42 H new ATOM 0 HB VAL A 642 -7.383 5.840 -1.881 1.00 1.43 H new ATOM 0 HG11 VAL A 642 -7.489 6.840 0.365 1.00 3.11 H new ATOM 0 HG12 VAL A 642 -6.526 7.832 -0.756 1.00 3.11 H new ATOM 0 HG13 VAL A 642 -8.183 8.323 -0.333 1.00 3.11 H new ATOM 0 HG21 VAL A 642 -9.372 5.479 -0.476 1.00 61.21 H new ATOM 0 HG22 VAL A 642 -10.144 6.905 -1.210 1.00 61.21 H new ATOM 0 HG23 VAL A 642 -9.778 5.479 -2.209 1.00 61.21 H new ATOM 1237 N PRO A 643 -7.905 6.139 -4.941 1.00 5.31 N ATOM 1238 CA PRO A 643 -8.354 5.325 -6.075 1.00 33.44 C ATOM 1239 C PRO A 643 -8.982 4.008 -5.632 1.00 34.44 C ATOM 1240 O PRO A 643 -8.394 3.264 -4.847 1.00 2.34 O ATOM 1241 CB PRO A 643 -7.064 5.067 -6.858 1.00 44.11 C ATOM 1242 CG PRO A 643 -5.977 5.180 -5.845 1.00 2.52 C ATOM 1243 CD PRO A 643 -6.437 6.216 -4.858 1.00 50.41 C ATOM 0 HA PRO A 643 -9.128 5.826 -6.656 1.00 33.44 H new ATOM 0 HB2 PRO A 643 -7.073 4.080 -7.321 1.00 44.11 H new ATOM 0 HB3 PRO A 643 -6.935 5.794 -7.660 1.00 44.11 H new ATOM 0 HG2 PRO A 643 -5.801 4.223 -5.353 1.00 2.52 H new ATOM 0 HG3 PRO A 643 -5.038 5.476 -6.312 1.00 2.52 H new ATOM 0 HD2 PRO A 643 -6.080 5.999 -3.851 1.00 50.41 H new ATOM 0 HD3 PRO A 643 -6.071 7.209 -5.118 1.00 50.41 H new ATOM 1248 N GLN A 644 -10.177 3.727 -6.141 1.00 63.01 N ATOM 1249 CA GLN A 644 -10.883 2.498 -5.796 1.00 32.51 C ATOM 1250 C GLN A 644 -10.103 1.273 -6.263 1.00 11.01 C ATOM 1251 O GLN A 644 -10.357 0.156 -5.812 1.00 21.13 O ATOM 1252 CB GLN A 644 -12.280 2.496 -6.420 1.00 74.43 C ATOM 1253 CG GLN A 644 -13.097 1.261 -6.078 1.00 22.32 C ATOM 1254 CD GLN A 644 -14.590 1.513 -6.139 1.00 14.51 C ATOM 1255 OE1 GLN A 644 -15.174 1.595 -7.221 1.00 34.01 O ATOM 1256 NE2 GLN A 644 -15.218 1.638 -4.976 1.00 34.13 N ATOM 0 H GLN A 644 -10.676 4.332 -6.793 1.00 63.01 H new ATOM 0 HA GLN A 644 -10.977 2.454 -4.711 1.00 32.51 H new ATOM 0 HB2 GLN A 644 -12.819 3.382 -6.086 1.00 74.43 H new ATOM 0 HB3 GLN A 644 -12.185 2.570 -7.503 1.00 74.43 H new ATOM 0 HG2 GLN A 644 -12.840 0.457 -6.768 1.00 22.32 H new ATOM 0 HG3 GLN A 644 -12.831 0.920 -5.078 1.00 22.32 H new ATOM 0 HE21 GLN A 644 -14.695 1.563 -4.103 1.00 34.13 H new ATOM 0 HE22 GLN A 644 -16.223 1.809 -4.955 1.00 34.13 H new ATOM 1263 N ASP A 645 -9.155 1.490 -7.167 1.00 50.32 N ATOM 1264 CA ASP A 645 -8.338 0.404 -7.694 1.00 61.24 C ATOM 1265 C ASP A 645 -7.379 -0.120 -6.630 1.00 44.14 C ATOM 1266 O ASP A 645 -7.148 -1.326 -6.527 1.00 33.31 O ATOM 1267 CB ASP A 645 -7.552 0.877 -8.918 1.00 24.52 C ATOM 1268 CG ASP A 645 -7.277 -0.247 -9.898 1.00 11.34 C ATOM 1269 OD1 ASP A 645 -8.238 -0.947 -10.282 1.00 20.41 O ATOM 1270 OD2 ASP A 645 -6.102 -0.427 -10.282 1.00 55.21 O ATOM 0 H ASP A 645 -8.933 2.409 -7.550 1.00 50.32 H new ATOM 0 HA ASP A 645 -9.003 -0.408 -7.990 1.00 61.24 H new ATOM 0 HB2 ASP A 645 -8.110 1.666 -9.422 1.00 24.52 H new ATOM 0 HB3 ASP A 645 -6.607 1.312 -8.594 1.00 24.52 H new ATOM 1274 N LEU A 646 -6.823 0.792 -5.839 1.00 13.15 N ATOM 1275 CA LEU A 646 -5.888 0.422 -4.783 1.00 50.14 C ATOM 1276 C LEU A 646 -6.623 -0.194 -3.597 1.00 70.10 C ATOM 1277 O LEU A 646 -6.280 -1.285 -3.138 1.00 72.41 O ATOM 1278 CB LEU A 646 -5.095 1.647 -4.325 1.00 61.01 C ATOM 1279 CG LEU A 646 -4.155 2.264 -5.363 1.00 41.22 C ATOM 1280 CD1 LEU A 646 -3.333 3.381 -4.740 1.00 50.30 C ATOM 1281 CD2 LEU A 646 -3.247 1.199 -5.959 1.00 72.44 C ATOM 0 H LEU A 646 -7.004 1.793 -5.910 1.00 13.15 H new ATOM 0 HA LEU A 646 -5.199 -0.320 -5.185 1.00 50.14 H new ATOM 0 HB2 LEU A 646 -5.801 2.412 -4.003 1.00 61.01 H new ATOM 0 HB3 LEU A 646 -4.506 1.368 -3.451 1.00 61.01 H new ATOM 0 HG LEU A 646 -4.758 2.689 -6.165 1.00 41.22 H new ATOM 0 HD11 LEU A 646 -2.670 3.808 -5.493 1.00 50.30 H new ATOM 0 HD12 LEU A 646 -4.000 4.156 -4.362 1.00 50.30 H new ATOM 0 HD13 LEU A 646 -2.739 2.981 -3.918 1.00 50.30 H new ATOM 0 HD21 LEU A 646 -2.585 1.655 -6.695 1.00 72.44 H new ATOM 0 HD22 LEU A 646 -2.651 0.745 -5.168 1.00 72.44 H new ATOM 0 HD23 LEU A 646 -3.853 0.433 -6.442 1.00 72.44 H new ATOM 1292 N LEU A 647 -7.638 0.509 -3.106 1.00 10.20 N ATOM 1293 CA LEU A 647 -8.424 0.030 -1.975 1.00 43.04 C ATOM 1294 C LEU A 647 -8.914 -1.394 -2.215 1.00 35.14 C ATOM 1295 O LEU A 647 -9.011 -2.193 -1.283 1.00 1.55 O ATOM 1296 CB LEU A 647 -9.616 0.957 -1.728 1.00 72.10 C ATOM 1297 CG LEU A 647 -9.279 2.378 -1.278 1.00 40.41 C ATOM 1298 CD1 LEU A 647 -10.546 3.139 -0.918 1.00 23.22 C ATOM 1299 CD2 LEU A 647 -8.319 2.350 -0.097 1.00 54.22 C ATOM 0 H LEU A 647 -7.936 1.413 -3.474 1.00 10.20 H new ATOM 0 HA LEU A 647 -7.783 0.029 -1.094 1.00 43.04 H new ATOM 0 HB2 LEU A 647 -10.200 1.017 -2.646 1.00 72.10 H new ATOM 0 HB3 LEU A 647 -10.255 0.500 -0.973 1.00 72.10 H new ATOM 0 HG LEU A 647 -8.792 2.894 -2.105 1.00 40.41 H new ATOM 0 HD11 LEU A 647 -10.286 4.149 -0.600 1.00 23.22 H new ATOM 0 HD12 LEU A 647 -11.200 3.190 -1.789 1.00 23.22 H new ATOM 0 HD13 LEU A 647 -11.061 2.625 -0.107 1.00 23.22 H new ATOM 0 HD21 LEU A 647 -8.090 3.370 0.210 1.00 54.22 H new ATOM 0 HD22 LEU A 647 -8.780 1.816 0.734 1.00 54.22 H new ATOM 0 HD23 LEU A 647 -7.399 1.844 -0.388 1.00 54.22 H new ATOM 1310 N ASP A 648 -9.218 -1.705 -3.470 1.00 2.42 N ATOM 1311 CA ASP A 648 -9.695 -3.035 -3.835 1.00 62.34 C ATOM 1312 C ASP A 648 -8.564 -4.057 -3.759 1.00 34.11 C ATOM 1313 O ASP A 648 -8.731 -5.141 -3.199 1.00 32.42 O ATOM 1314 CB ASP A 648 -10.290 -3.018 -5.243 1.00 3.43 C ATOM 1315 CG ASP A 648 -11.803 -3.122 -5.233 1.00 21.20 C ATOM 1316 OD1 ASP A 648 -12.338 -3.907 -4.423 1.00 60.33 O ATOM 1317 OD2 ASP A 648 -12.451 -2.419 -6.036 1.00 42.12 O ATOM 0 H ASP A 648 -9.143 -1.055 -4.252 1.00 2.42 H new ATOM 0 HA ASP A 648 -10.470 -3.324 -3.125 1.00 62.34 H new ATOM 0 HB2 ASP A 648 -9.995 -2.098 -5.748 1.00 3.43 H new ATOM 0 HB3 ASP A 648 -9.876 -3.845 -5.820 1.00 3.43 H new ATOM 1321 N ARG A 649 -7.415 -3.704 -4.326 1.00 13.23 N ATOM 1322 CA ARG A 649 -6.258 -4.590 -4.325 1.00 3.01 C ATOM 1323 C ARG A 649 -5.746 -4.814 -2.906 1.00 43.11 C ATOM 1324 O ARG A 649 -5.287 -5.904 -2.564 1.00 23.15 O ATOM 1325 CB ARG A 649 -5.142 -4.010 -5.195 1.00 13.25 C ATOM 1326 CG ARG A 649 -5.493 -3.947 -6.673 1.00 53.31 C ATOM 1327 CD ARG A 649 -5.304 -5.295 -7.348 1.00 1.44 C ATOM 1328 NE ARG A 649 -6.017 -5.376 -8.621 1.00 13.30 N ATOM 1329 CZ ARG A 649 -7.339 -5.471 -8.717 1.00 35.34 C ATOM 1330 NH1 ARG A 649 -8.087 -5.497 -7.623 1.00 74.50 N ATOM 1331 NH2 ARG A 649 -7.915 -5.539 -9.911 1.00 32.33 N ATOM 0 H ARG A 649 -7.261 -2.810 -4.792 1.00 13.23 H new ATOM 0 HA ARG A 649 -6.568 -5.550 -4.737 1.00 3.01 H new ATOM 0 HB2 ARG A 649 -4.903 -3.006 -4.844 1.00 13.25 H new ATOM 0 HB3 ARG A 649 -4.243 -4.614 -5.069 1.00 13.25 H new ATOM 0 HG2 ARG A 649 -6.527 -3.623 -6.789 1.00 53.31 H new ATOM 0 HG3 ARG A 649 -4.868 -3.202 -7.165 1.00 53.31 H new ATOM 0 HD2 ARG A 649 -4.241 -5.470 -7.516 1.00 1.44 H new ATOM 0 HD3 ARG A 649 -5.656 -6.085 -6.685 1.00 1.44 H new ATOM 0 HE ARG A 649 -5.471 -5.359 -9.482 1.00 13.30 H new ATOM 0 HH11 ARG A 649 -7.648 -5.444 -6.704 1.00 74.50 H new ATOM 0 HH12 ARG A 649 -9.101 -5.570 -7.700 1.00 74.50 H new ATOM 0 HH21 ARG A 649 -7.343 -5.518 -10.755 1.00 32.33 H new ATOM 0 HH22 ARG A 649 -8.930 -5.612 -9.984 1.00 32.33 H new ATOM 1342 N VAL A 650 -5.827 -3.775 -2.081 1.00 15.52 N ATOM 1343 CA VAL A 650 -5.373 -3.857 -0.699 1.00 44.34 C ATOM 1344 C VAL A 650 -6.205 -4.859 0.094 1.00 60.22 C ATOM 1345 O VAL A 650 -5.665 -5.755 0.745 1.00 34.10 O ATOM 1346 CB VAL A 650 -5.441 -2.486 -0.002 1.00 34.22 C ATOM 1347 CG1 VAL A 650 -5.003 -2.601 1.449 1.00 63.45 C ATOM 1348 CG2 VAL A 650 -4.589 -1.468 -0.746 1.00 72.21 C ATOM 0 H VAL A 650 -6.204 -2.865 -2.347 1.00 15.52 H new ATOM 0 HA VAL A 650 -4.336 -4.190 -0.727 1.00 44.34 H new ATOM 0 HB VAL A 650 -6.475 -2.142 -0.017 1.00 34.22 H new ATOM 0 HG11 VAL A 650 -5.058 -1.622 1.924 1.00 63.45 H new ATOM 0 HG12 VAL A 650 -5.659 -3.296 1.973 1.00 63.45 H new ATOM 0 HG13 VAL A 650 -3.977 -2.968 1.492 1.00 63.45 H new ATOM 0 HG21 VAL A 650 -4.648 -0.504 -0.240 1.00 72.21 H new ATOM 0 HG22 VAL A 650 -3.553 -1.805 -0.764 1.00 72.21 H new ATOM 0 HG23 VAL A 650 -4.955 -1.364 -1.768 1.00 72.21 H new ATOM 1358 N LEU A 651 -7.523 -4.703 0.035 1.00 72.25 N ATOM 1359 CA LEU A 651 -8.432 -5.595 0.748 1.00 33.34 C ATOM 1360 C LEU A 651 -8.287 -7.030 0.251 1.00 72.31 C ATOM 1361 O LEU A 651 -8.555 -7.981 0.984 1.00 44.23 O ATOM 1362 CB LEU A 651 -9.877 -5.127 0.574 1.00 52.32 C ATOM 1363 CG LEU A 651 -10.392 -4.135 1.618 1.00 20.10 C ATOM 1364 CD1 LEU A 651 -11.802 -3.683 1.275 1.00 10.50 C ATOM 1365 CD2 LEU A 651 -10.352 -4.756 3.007 1.00 52.23 C ATOM 0 H LEU A 651 -7.986 -3.968 -0.499 1.00 72.25 H new ATOM 0 HA LEU A 651 -8.173 -5.568 1.806 1.00 33.34 H new ATOM 0 HB2 LEU A 651 -9.974 -4.670 -0.411 1.00 52.32 H new ATOM 0 HB3 LEU A 651 -10.525 -6.003 0.584 1.00 52.32 H new ATOM 0 HG LEU A 651 -9.741 -3.260 1.613 1.00 20.10 H new ATOM 0 HD11 LEU A 651 -12.152 -2.978 2.029 1.00 10.50 H new ATOM 0 HD12 LEU A 651 -11.802 -3.199 0.298 1.00 10.50 H new ATOM 0 HD13 LEU A 651 -12.466 -4.547 1.252 1.00 10.50 H new ATOM 0 HD21 LEU A 651 -10.722 -4.037 3.738 1.00 52.23 H new ATOM 0 HD22 LEU A 651 -10.979 -5.647 3.025 1.00 52.23 H new ATOM 0 HD23 LEU A 651 -9.326 -5.029 3.254 1.00 52.23 H new ATOM 1376 N ALA A 652 -7.857 -7.179 -0.998 1.00 54.31 N ATOM 1377 CA ALA A 652 -7.672 -8.497 -1.590 1.00 14.20 C ATOM 1378 C ALA A 652 -6.546 -9.258 -0.898 1.00 54.54 C ATOM 1379 O ALA A 652 -6.711 -10.414 -0.513 1.00 1.41 O ATOM 1380 CB ALA A 652 -7.387 -8.371 -3.080 1.00 50.31 C ATOM 0 H ALA A 652 -7.630 -6.402 -1.619 1.00 54.31 H new ATOM 0 HA ALA A 652 -8.594 -9.061 -1.453 1.00 14.20 H new ATOM 0 HB1 ALA A 652 -7.251 -9.363 -3.510 1.00 50.31 H new ATOM 0 HB2 ALA A 652 -8.225 -7.875 -3.570 1.00 50.31 H new ATOM 0 HB3 ALA A 652 -6.481 -7.784 -3.229 1.00 50.31 H new ATOM 1386 N ALA A 653 -5.401 -8.599 -0.743 1.00 42.53 N ATOM 1387 CA ALA A 653 -4.250 -9.213 -0.095 1.00 21.24 C ATOM 1388 C ALA A 653 -4.452 -9.305 1.413 1.00 73.53 C ATOM 1389 O ALA A 653 -4.155 -10.330 2.029 1.00 2.52 O ATOM 1390 CB ALA A 653 -2.985 -8.428 -0.413 1.00 31.13 C ATOM 0 H ALA A 653 -5.247 -7.641 -1.057 1.00 42.53 H new ATOM 0 HA ALA A 653 -4.144 -10.226 -0.483 1.00 21.24 H new ATOM 0 HB1 ALA A 653 -2.132 -8.898 0.078 1.00 31.13 H new ATOM 0 HB2 ALA A 653 -2.824 -8.419 -1.491 1.00 31.13 H new ATOM 0 HB3 ALA A 653 -3.092 -7.405 -0.054 1.00 31.13 H new ATOM 1396 N HIS A 654 -4.958 -8.227 2.005 1.00 50.31 N ATOM 1397 CA HIS A 654 -5.200 -8.187 3.443 1.00 23.33 C ATOM 1398 C HIS A 654 -6.137 -9.313 3.867 1.00 44.22 C ATOM 1399 O HIS A 654 -5.916 -9.967 4.886 1.00 64.11 O ATOM 1400 CB HIS A 654 -5.793 -6.836 3.844 1.00 21.12 C ATOM 1401 CG HIS A 654 -6.264 -6.787 5.264 1.00 53.43 C ATOM 1402 ND1 HIS A 654 -7.525 -7.188 5.652 1.00 1.10 N ATOM 1403 CD2 HIS A 654 -5.636 -6.382 6.393 1.00 0.54 C ATOM 1404 CE1 HIS A 654 -7.653 -7.030 6.958 1.00 64.23 C ATOM 1405 NE2 HIS A 654 -6.520 -6.543 7.431 1.00 1.44 N ATOM 0 H HIS A 654 -5.208 -7.370 1.511 1.00 50.31 H new ATOM 0 HA HIS A 654 -4.245 -8.322 3.951 1.00 23.33 H new ATOM 0 HB2 HIS A 654 -5.043 -6.060 3.692 1.00 21.12 H new ATOM 0 HB3 HIS A 654 -6.629 -6.605 3.184 1.00 21.12 H new ATOM 0 HD2 HIS A 654 -4.627 -6.003 6.464 1.00 0.54 H new ATOM 0 HE1 HIS A 654 -8.534 -7.260 7.539 1.00 64.23 H new ATOM 0 HE2 HIS A 654 -6.332 -6.322 8.409 1.00 1.44 H new ATOM 1412 N ALA A 655 -7.186 -9.532 3.081 1.00 5.05 N ATOM 1413 CA ALA A 655 -8.156 -10.580 3.375 1.00 52.14 C ATOM 1414 C ALA A 655 -7.609 -11.954 3.004 1.00 60.43 C ATOM 1415 O ALA A 655 -7.705 -12.902 3.784 1.00 51.12 O ATOM 1416 CB ALA A 655 -9.461 -10.313 2.639 1.00 64.35 C ATOM 0 H ALA A 655 -7.386 -8.998 2.236 1.00 5.05 H new ATOM 0 HA ALA A 655 -8.348 -10.572 4.448 1.00 52.14 H new ATOM 0 HB1 ALA A 655 -10.176 -11.103 2.868 1.00 64.35 H new ATOM 0 HB2 ALA A 655 -9.868 -9.353 2.956 1.00 64.35 H new ATOM 0 HB3 ALA A 655 -9.275 -10.291 1.565 1.00 64.35 H new ATOM 1422 N TYR A 656 -7.036 -12.056 1.810 1.00 42.44 N ATOM 1423 CA TYR A 656 -6.477 -13.316 1.336 1.00 30.23 C ATOM 1424 C TYR A 656 -5.432 -13.850 2.310 1.00 4.12 C ATOM 1425 O TYR A 656 -5.473 -15.015 2.704 1.00 25.13 O ATOM 1426 CB TYR A 656 -5.852 -13.131 -0.048 1.00 22.45 C ATOM 1427 CG TYR A 656 -5.066 -14.332 -0.523 1.00 61.44 C ATOM 1428 CD1 TYR A 656 -5.702 -15.530 -0.821 1.00 21.34 C ATOM 1429 CD2 TYR A 656 -3.686 -14.268 -0.673 1.00 34.41 C ATOM 1430 CE1 TYR A 656 -4.987 -16.630 -1.255 1.00 74.14 C ATOM 1431 CE2 TYR A 656 -2.963 -15.363 -1.107 1.00 74.22 C ATOM 1432 CZ TYR A 656 -3.617 -16.541 -1.396 1.00 50.11 C ATOM 1433 OH TYR A 656 -2.902 -17.634 -1.828 1.00 31.30 O ATOM 0 H TYR A 656 -6.947 -11.281 1.153 1.00 42.44 H new ATOM 0 HA TYR A 656 -7.288 -14.041 1.268 1.00 30.23 H new ATOM 0 HB2 TYR A 656 -6.642 -12.916 -0.768 1.00 22.45 H new ATOM 0 HB3 TYR A 656 -5.194 -12.262 -0.027 1.00 22.45 H new ATOM 0 HD1 TYR A 656 -6.774 -15.603 -0.712 1.00 21.34 H new ATOM 0 HD2 TYR A 656 -3.170 -13.347 -0.447 1.00 34.41 H new ATOM 0 HE1 TYR A 656 -5.497 -17.554 -1.483 1.00 74.14 H new ATOM 0 HE2 TYR A 656 -1.891 -15.296 -1.219 1.00 74.22 H new ATOM 0 HH TYR A 656 -1.950 -17.405 -1.875 1.00 31.30 H new ATOM 1442 N TRP A 657 -4.498 -12.988 2.696 1.00 64.10 N ATOM 1443 CA TRP A 657 -3.442 -13.372 3.627 1.00 20.05 C ATOM 1444 C TRP A 657 -4.000 -13.577 5.030 1.00 43.43 C ATOM 1445 O TRP A 657 -3.487 -14.388 5.801 1.00 30.21 O ATOM 1446 CB TRP A 657 -2.345 -12.308 3.651 1.00 75.25 C ATOM 1447 CG TRP A 657 -1.496 -12.301 2.416 1.00 75.54 C ATOM 1448 CD1 TRP A 657 -1.377 -11.287 1.509 1.00 72.11 C ATOM 1449 CD2 TRP A 657 -0.649 -13.358 1.951 1.00 3.41 C ATOM 1450 NE1 TRP A 657 -0.507 -11.650 0.509 1.00 2.21 N ATOM 1451 CE2 TRP A 657 -0.047 -12.915 0.758 1.00 23.44 C ATOM 1452 CE3 TRP A 657 -0.341 -14.635 2.428 1.00 74.54 C ATOM 1453 CZ2 TRP A 657 0.843 -13.706 0.036 1.00 33.50 C ATOM 1454 CZ3 TRP A 657 0.544 -15.418 1.711 1.00 41.12 C ATOM 1455 CH2 TRP A 657 1.129 -14.952 0.527 1.00 12.53 C ATOM 0 H TRP A 657 -4.450 -12.020 2.379 1.00 64.10 H new ATOM 0 HA TRP A 657 -3.016 -14.316 3.286 1.00 20.05 H new ATOM 0 HB2 TRP A 657 -2.803 -11.327 3.773 1.00 75.25 H new ATOM 0 HB3 TRP A 657 -1.708 -12.473 4.520 1.00 75.25 H new ATOM 0 HD1 TRP A 657 -1.891 -10.339 1.569 1.00 72.11 H new ATOM 0 HE1 TRP A 657 -0.246 -11.071 -0.289 1.00 2.21 H new ATOM 0 HE3 TRP A 657 -0.786 -15.003 3.340 1.00 74.54 H new ATOM 0 HZ2 TRP A 657 1.292 -13.349 -0.879 1.00 33.50 H new ATOM 0 HZ3 TRP A 657 0.789 -16.407 2.070 1.00 41.12 H new ATOM 0 HH2 TRP A 657 1.819 -15.587 -0.009 1.00 12.53 H new ATOM 1465 N SER A 658 -5.057 -12.838 5.356 1.00 60.44 N ATOM 1466 CA SER A 658 -5.683 -12.937 6.669 1.00 74.31 C ATOM 1467 C SER A 658 -6.180 -14.355 6.928 1.00 45.24 C ATOM 1468 O SER A 658 -6.118 -14.850 8.054 1.00 33.43 O ATOM 1469 CB SER A 658 -6.844 -11.948 6.779 1.00 51.22 C ATOM 1470 OG SER A 658 -7.691 -12.275 7.867 1.00 72.00 O ATOM 0 H SER A 658 -5.497 -12.165 4.729 1.00 60.44 H new ATOM 0 HA SER A 658 -4.934 -12.691 7.422 1.00 74.31 H new ATOM 0 HB2 SER A 658 -6.455 -10.938 6.908 1.00 51.22 H new ATOM 0 HB3 SER A 658 -7.419 -11.952 5.853 1.00 51.22 H new ATOM 0 HG SER A 658 -8.424 -11.627 7.917 1.00 72.00 H new ATOM 1475 N GLN A 659 -6.675 -15.003 5.878 1.00 41.05 N ATOM 1476 CA GLN A 659 -7.184 -16.365 5.992 1.00 55.43 C ATOM 1477 C GLN A 659 -6.115 -17.303 6.542 1.00 53.55 C ATOM 1478 O GLN A 659 -6.427 -18.326 7.149 1.00 43.10 O ATOM 1479 CB GLN A 659 -7.668 -16.866 4.630 1.00 72.14 C ATOM 1480 CG GLN A 659 -8.037 -18.340 4.621 1.00 44.44 C ATOM 1481 CD GLN A 659 -8.847 -18.732 3.400 1.00 70.44 C ATOM 1482 OE1 GLN A 659 -8.657 -18.183 2.314 1.00 43.32 O ATOM 1483 NE2 GLN A 659 -9.755 -19.685 3.573 1.00 25.11 N ATOM 0 H GLN A 659 -6.734 -14.607 4.940 1.00 41.05 H new ATOM 0 HA GLN A 659 -8.023 -16.355 6.687 1.00 55.43 H new ATOM 0 HB2 GLN A 659 -8.535 -16.281 4.324 1.00 72.14 H new ATOM 0 HB3 GLN A 659 -6.888 -16.691 3.889 1.00 72.14 H new ATOM 0 HG2 GLN A 659 -7.127 -18.939 4.656 1.00 44.44 H new ATOM 0 HG3 GLN A 659 -8.607 -18.573 5.520 1.00 44.44 H new ATOM 0 HE21 GLN A 659 -9.878 -20.112 4.491 1.00 25.11 H new ATOM 0 HE22 GLN A 659 -10.330 -19.990 2.788 1.00 25.11 H new ATOM 1490 N GLN A 660 -4.853 -16.944 6.326 1.00 43.51 N ATOM 1491 CA GLN A 660 -3.738 -17.755 6.801 1.00 2.23 C ATOM 1492 C GLN A 660 -3.645 -17.715 8.322 1.00 21.32 C ATOM 1493 O GLN A 660 -3.351 -18.725 8.961 1.00 4.01 O ATOM 1494 CB GLN A 660 -2.426 -17.266 6.184 1.00 14.51 C ATOM 1495 CG GLN A 660 -1.213 -18.071 6.618 1.00 72.33 C ATOM 1496 CD GLN A 660 0.094 -17.435 6.188 1.00 70.33 C ATOM 1497 OE1 GLN A 660 0.341 -16.257 6.448 1.00 40.35 O ATOM 1498 NE2 GLN A 660 0.942 -18.213 5.525 1.00 4.34 N ATOM 0 H GLN A 660 -4.578 -16.099 5.826 1.00 43.51 H new ATOM 0 HA GLN A 660 -3.914 -18.786 6.494 1.00 2.23 H new ATOM 0 HB2 GLN A 660 -2.508 -17.305 5.098 1.00 14.51 H new ATOM 0 HB3 GLN A 660 -2.274 -16.221 6.455 1.00 14.51 H new ATOM 0 HG2 GLN A 660 -1.221 -18.177 7.703 1.00 72.33 H new ATOM 0 HG3 GLN A 660 -1.279 -19.075 6.199 1.00 72.33 H new ATOM 0 HE21 GLN A 660 0.698 -19.184 5.330 1.00 4.34 H new ATOM 0 HE22 GLN A 660 1.837 -17.839 5.210 1.00 4.34 H new ATOM 1505 N GLN A 661 -3.894 -16.543 8.895 1.00 1.30 N ATOM 1506 CA GLN A 661 -3.837 -16.372 10.342 1.00 11.11 C ATOM 1507 C GLN A 661 -5.236 -16.394 10.950 1.00 25.15 C ATOM 1508 O GLN A 661 -5.638 -17.375 11.573 1.00 64.40 O ATOM 1509 CB GLN A 661 -3.136 -15.059 10.695 1.00 52.23 C ATOM 1510 CG GLN A 661 -1.622 -15.176 10.758 1.00 65.54 C ATOM 1511 CD GLN A 661 -1.128 -15.630 12.118 1.00 24.12 C ATOM 1512 OE1 GLN A 661 -1.627 -15.187 13.152 1.00 71.32 O ATOM 1513 NE2 GLN A 661 -0.142 -16.520 12.123 1.00 23.04 N ATOM 0 H GLN A 661 -4.137 -15.697 8.380 1.00 1.30 H new ATOM 0 HA GLN A 661 -3.267 -17.203 10.757 1.00 11.11 H new ATOM 0 HB2 GLN A 661 -3.403 -14.304 9.956 1.00 52.23 H new ATOM 0 HB3 GLN A 661 -3.505 -14.707 11.658 1.00 52.23 H new ATOM 0 HG2 GLN A 661 -1.284 -15.881 9.999 1.00 65.54 H new ATOM 0 HG3 GLN A 661 -1.176 -14.211 10.517 1.00 65.54 H new ATOM 0 HE21 GLN A 661 0.242 -16.860 11.242 1.00 23.04 H new ATOM 0 HE22 GLN A 661 0.231 -16.863 13.008 1.00 23.04 H new ATOM 1520 N GLY A 662 -5.975 -15.305 10.762 1.00 32.25 N ATOM 1521 CA GLY A 662 -7.320 -15.220 11.297 1.00 42.32 C ATOM 1522 C GLY A 662 -8.381 -15.486 10.247 1.00 72.30 C ATOM 1523 O GLY A 662 -8.141 -16.211 9.281 1.00 73.20 O ATOM 0 H GLY A 662 -5.665 -14.480 10.248 1.00 32.25 H new ATOM 0 HA2 GLY A 662 -7.430 -15.938 12.110 1.00 42.32 H new ATOM 0 HA3 GLY A 662 -7.476 -14.229 11.723 1.00 42.32 H new ATOM 1527 N LYS A 663 -9.558 -14.900 10.435 1.00 55.21 N ATOM 1528 CA LYS A 663 -10.659 -15.076 9.497 1.00 12.34 C ATOM 1529 C LYS A 663 -11.763 -14.054 9.753 1.00 31.41 C ATOM 1530 O LYS A 663 -12.340 -14.011 10.839 1.00 21.32 O ATOM 1531 CB LYS A 663 -11.227 -16.493 9.606 1.00 11.22 C ATOM 1532 CG LYS A 663 -12.142 -16.872 8.454 1.00 24.23 C ATOM 1533 CD LYS A 663 -12.505 -18.348 8.493 1.00 13.35 C ATOM 1534 CE LYS A 663 -13.763 -18.633 7.686 1.00 72.54 C ATOM 1535 NZ LYS A 663 -13.457 -18.868 6.248 1.00 12.43 N ATOM 0 H LYS A 663 -9.774 -14.298 11.230 1.00 55.21 H new ATOM 0 HA LYS A 663 -10.272 -14.922 8.490 1.00 12.34 H new ATOM 0 HB2 LYS A 663 -10.402 -17.204 9.652 1.00 11.22 H new ATOM 0 HB3 LYS A 663 -11.778 -16.583 10.542 1.00 11.22 H new ATOM 0 HG2 LYS A 663 -13.051 -16.272 8.497 1.00 24.23 H new ATOM 0 HG3 LYS A 663 -11.652 -16.642 7.508 1.00 24.23 H new ATOM 0 HD2 LYS A 663 -11.677 -18.938 8.100 1.00 13.35 H new ATOM 0 HD3 LYS A 663 -12.656 -18.660 9.527 1.00 13.35 H new ATOM 0 HE2 LYS A 663 -14.268 -19.507 8.097 1.00 72.54 H new ATOM 0 HE3 LYS A 663 -14.452 -17.793 7.778 1.00 72.54 H new ATOM 0 HZ1 LYS A 663 -14.340 -19.059 5.732 1.00 12.43 H new ATOM 0 HZ2 LYS A 663 -12.998 -18.025 5.849 1.00 12.43 H new ATOM 0 HZ3 LYS A 663 -12.820 -19.685 6.158 1.00 12.43 H new ATOM 1545 N GLN A 664 -12.049 -13.234 8.746 1.00 42.44 N ATOM 1546 CA GLN A 664 -13.084 -12.213 8.864 1.00 63.15 C ATOM 1547 C GLN A 664 -13.950 -12.169 7.611 1.00 2.41 C ATOM 1548 O GLN A 664 -15.178 -12.231 7.689 1.00 43.31 O ATOM 1549 CB GLN A 664 -12.452 -10.843 9.111 1.00 35.10 C ATOM 1550 CG GLN A 664 -12.252 -10.520 10.583 1.00 32.45 C ATOM 1551 CD GLN A 664 -13.560 -10.435 11.344 1.00 53.01 C ATOM 1552 OE1 GLN A 664 -14.439 -9.643 11.004 1.00 75.11 O ATOM 1553 NE2 GLN A 664 -13.695 -11.252 12.382 1.00 71.04 N ATOM 0 H GLN A 664 -11.579 -13.257 7.841 1.00 42.44 H new ATOM 0 HA GLN A 664 -13.718 -12.470 9.712 1.00 63.15 H new ATOM 0 HB2 GLN A 664 -11.488 -10.801 8.604 1.00 35.10 H new ATOM 0 HB3 GLN A 664 -13.082 -10.075 8.662 1.00 35.10 H new ATOM 0 HG2 GLN A 664 -11.621 -11.285 11.036 1.00 32.45 H new ATOM 0 HG3 GLN A 664 -11.721 -9.573 10.674 1.00 32.45 H new ATOM 0 HE21 GLN A 664 -12.940 -11.893 12.628 1.00 71.04 H new ATOM 0 HE22 GLN A 664 -14.553 -11.239 12.933 1.00 71.04 H new ATOM 1560 N HIS A 665 -13.305 -12.061 6.454 1.00 70.45 N ATOM 1561 CA HIS A 665 -14.017 -12.008 5.182 1.00 31.41 C ATOM 1562 C HIS A 665 -13.038 -12.013 4.011 1.00 50.31 C ATOM 1563 O HIS A 665 -12.421 -10.994 3.701 1.00 73.33 O ATOM 1564 CB HIS A 665 -14.899 -10.761 5.120 1.00 10.23 C ATOM 1565 CG HIS A 665 -16.043 -10.884 4.159 1.00 62.41 C ATOM 1566 ND1 HIS A 665 -16.224 -10.029 3.092 1.00 64.02 N ATOM 1567 CD2 HIS A 665 -17.064 -11.771 4.107 1.00 60.42 C ATOM 1568 CE1 HIS A 665 -17.310 -10.384 2.428 1.00 53.20 C ATOM 1569 NE2 HIS A 665 -17.838 -11.438 3.023 1.00 62.21 N ATOM 0 H HIS A 665 -12.290 -12.008 6.371 1.00 70.45 H new ATOM 0 HA HIS A 665 -14.648 -12.894 5.109 1.00 31.41 H new ATOM 0 HB2 HIS A 665 -15.292 -10.554 6.115 1.00 10.23 H new ATOM 0 HB3 HIS A 665 -14.286 -9.906 4.835 1.00 10.23 H new ATOM 0 HD2 HIS A 665 -17.238 -12.589 4.791 1.00 60.42 H new ATOM 0 HE1 HIS A 665 -17.700 -9.895 1.548 1.00 53.20 H new ATOM 0 HE2 HIS A 665 -18.683 -11.925 2.726 1.00 62.21 H new ATOM 1576 N VAL A 666 -12.902 -13.167 3.365 1.00 74.30 N ATOM 1577 CA VAL A 666 -12.000 -13.304 2.229 1.00 31.44 C ATOM 1578 C VAL A 666 -12.776 -13.455 0.925 1.00 51.13 C ATOM 1579 O VAL A 666 -14.005 -13.520 0.927 1.00 41.43 O ATOM 1580 CB VAL A 666 -11.063 -14.515 2.398 1.00 12.32 C ATOM 1581 CG1 VAL A 666 -10.241 -14.379 3.671 1.00 42.33 C ATOM 1582 CG2 VAL A 666 -11.862 -15.809 2.404 1.00 51.35 C ATOM 0 H VAL A 666 -13.405 -14.020 3.609 1.00 74.30 H new ATOM 0 HA VAL A 666 -11.402 -12.394 2.190 1.00 31.44 H new ATOM 0 HB VAL A 666 -10.376 -14.544 1.552 1.00 12.32 H new ATOM 0 HG11 VAL A 666 -9.585 -15.243 3.774 1.00 42.33 H new ATOM 0 HG12 VAL A 666 -9.640 -13.471 3.621 1.00 42.33 H new ATOM 0 HG13 VAL A 666 -10.908 -14.325 4.531 1.00 42.33 H new ATOM 0 HG21 VAL A 666 -11.185 -16.654 2.524 1.00 51.35 H new ATOM 0 HG22 VAL A 666 -12.573 -15.794 3.230 1.00 51.35 H new ATOM 0 HG23 VAL A 666 -12.402 -15.908 1.462 1.00 51.35 H new ATOM 1592 N GLU A 667 -12.050 -13.511 -0.187 1.00 13.32 N ATOM 1593 CA GLU A 667 -12.672 -13.654 -1.498 1.00 23.01 C ATOM 1594 C GLU A 667 -12.008 -14.773 -2.296 1.00 54.32 C ATOM 1595 O GLU A 667 -10.885 -15.190 -2.012 1.00 22.20 O ATOM 1596 CB GLU A 667 -12.587 -12.339 -2.275 1.00 70.24 C ATOM 1597 CG GLU A 667 -13.771 -11.416 -2.042 1.00 73.34 C ATOM 1598 CD GLU A 667 -13.576 -10.509 -0.842 1.00 13.50 C ATOM 1599 OE1 GLU A 667 -12.646 -9.676 -0.873 1.00 21.23 O ATOM 1600 OE2 GLU A 667 -14.353 -10.631 0.127 1.00 5.03 O ATOM 0 H GLU A 667 -11.031 -13.460 -0.206 1.00 13.32 H new ATOM 0 HA GLU A 667 -13.721 -13.911 -1.348 1.00 23.01 H new ATOM 0 HB2 GLU A 667 -11.671 -11.819 -1.994 1.00 70.24 H new ATOM 0 HB3 GLU A 667 -12.514 -12.560 -3.340 1.00 70.24 H new ATOM 0 HG2 GLU A 667 -13.932 -10.806 -2.931 1.00 73.34 H new ATOM 0 HG3 GLU A 667 -14.671 -12.014 -1.898 1.00 73.34 H new ATOM 1605 N PRO A 668 -12.719 -15.272 -3.319 1.00 73.34 N ATOM 1606 CA PRO A 668 -12.218 -16.349 -4.179 1.00 55.13 C ATOM 1607 C PRO A 668 -11.070 -15.891 -5.072 1.00 64.35 C ATOM 1608 O PRO A 668 -11.278 -15.517 -6.226 1.00 21.12 O ATOM 1609 CB PRO A 668 -13.438 -16.721 -5.026 1.00 30.41 C ATOM 1610 CG PRO A 668 -14.276 -15.489 -5.046 1.00 42.14 C ATOM 1611 CD PRO A 668 -14.064 -14.823 -3.715 1.00 74.43 C ATOM 0 HA PRO A 668 -11.814 -17.179 -3.600 1.00 55.13 H new ATOM 0 HB2 PRO A 668 -13.145 -17.017 -6.033 1.00 30.41 H new ATOM 0 HB3 PRO A 668 -13.980 -17.561 -4.592 1.00 30.41 H new ATOM 0 HG2 PRO A 668 -13.982 -14.830 -5.863 1.00 42.14 H new ATOM 0 HG3 PRO A 668 -15.327 -15.734 -5.197 1.00 42.14 H new ATOM 0 HD2 PRO A 668 -14.118 -13.737 -3.796 1.00 74.43 H new ATOM 0 HD3 PRO A 668 -14.819 -15.126 -2.989 1.00 74.43 H new ATOM 1616 N LEU A 669 -9.857 -15.924 -4.529 1.00 33.44 N ATOM 1617 CA LEU A 669 -8.673 -15.513 -5.278 1.00 41.44 C ATOM 1618 C LEU A 669 -7.404 -16.057 -4.629 1.00 15.25 C ATOM 1619 O LEU A 669 -7.390 -16.381 -3.442 1.00 3.14 O ATOM 1620 CB LEU A 669 -8.604 -13.987 -5.362 1.00 30.11 C ATOM 1621 CG LEU A 669 -7.913 -13.415 -6.601 1.00 60.44 C ATOM 1622 CD1 LEU A 669 -8.834 -13.488 -7.808 1.00 55.34 C ATOM 1623 CD2 LEU A 669 -7.471 -11.980 -6.350 1.00 43.32 C ATOM 0 H LEU A 669 -9.668 -16.230 -3.575 1.00 33.44 H new ATOM 0 HA LEU A 669 -8.748 -15.923 -6.285 1.00 41.44 H new ATOM 0 HB2 LEU A 669 -9.620 -13.594 -5.323 1.00 30.11 H new ATOM 0 HB3 LEU A 669 -8.085 -13.617 -4.478 1.00 30.11 H new ATOM 0 HG LEU A 669 -7.028 -14.016 -6.810 1.00 60.44 H new ATOM 0 HD11 LEU A 669 -8.325 -13.077 -8.680 1.00 55.34 H new ATOM 0 HD12 LEU A 669 -9.100 -14.527 -8.000 1.00 55.34 H new ATOM 0 HD13 LEU A 669 -9.738 -12.912 -7.611 1.00 55.34 H new ATOM 0 HD21 LEU A 669 -6.981 -11.589 -7.242 1.00 43.32 H new ATOM 0 HD22 LEU A 669 -8.341 -11.367 -6.115 1.00 43.32 H new ATOM 0 HD23 LEU A 669 -6.774 -11.955 -5.513 1.00 43.32 H new ATOM 1634 N LYS A 670 -6.338 -16.151 -5.417 1.00 52.14 N ATOM 1635 CA LYS A 670 -5.061 -16.650 -4.921 1.00 43.24 C ATOM 1636 C LYS A 670 -3.897 -15.952 -5.614 1.00 33.51 C ATOM 1637 O LYS A 670 -4.055 -15.385 -6.696 1.00 2.41 O ATOM 1638 CB LYS A 670 -4.964 -18.162 -5.136 1.00 10.44 C ATOM 1639 CG LYS A 670 -5.954 -18.960 -4.305 1.00 50.31 C ATOM 1640 CD LYS A 670 -5.800 -20.454 -4.536 1.00 24.12 C ATOM 1641 CE LYS A 670 -6.324 -20.863 -5.905 1.00 63.14 C ATOM 1642 NZ LYS A 670 -7.810 -20.957 -5.923 1.00 20.34 N ATOM 0 H LYS A 670 -6.333 -15.888 -6.402 1.00 52.14 H new ATOM 0 HA LYS A 670 -5.005 -16.436 -3.854 1.00 43.24 H new ATOM 0 HB2 LYS A 670 -5.128 -18.382 -6.191 1.00 10.44 H new ATOM 0 HB3 LYS A 670 -3.953 -18.490 -4.896 1.00 10.44 H new ATOM 0 HG2 LYS A 670 -5.806 -18.737 -3.248 1.00 50.31 H new ATOM 0 HG3 LYS A 670 -6.970 -18.655 -4.556 1.00 50.31 H new ATOM 0 HD2 LYS A 670 -4.749 -20.730 -4.450 1.00 24.12 H new ATOM 0 HD3 LYS A 670 -6.338 -21.000 -3.761 1.00 24.12 H new ATOM 0 HE2 LYS A 670 -5.997 -20.139 -6.651 1.00 63.14 H new ATOM 0 HE3 LYS A 670 -5.896 -21.825 -6.186 1.00 63.14 H new ATOM 0 HZ1 LYS A 670 -8.129 -21.238 -6.872 1.00 20.34 H new ATOM 0 HZ2 LYS A 670 -8.121 -21.666 -5.229 1.00 20.34 H new ATOM 0 HZ3 LYS A 670 -8.219 -20.032 -5.680 1.00 20.34 H new ATOM 1652 N ILE A 671 -2.727 -15.997 -4.986 1.00 52.24 N ATOM 1653 CA ILE A 671 -1.535 -15.369 -5.544 1.00 4.03 C ATOM 1654 C ILE A 671 -0.274 -16.128 -5.142 1.00 45.52 C ATOM 1655 O ILE A 671 -0.345 -17.159 -4.472 1.00 63.30 O ATOM 1656 CB ILE A 671 -1.406 -13.903 -5.091 1.00 61.10 C ATOM 1657 CG1 ILE A 671 -1.377 -13.820 -3.564 1.00 60.23 C ATOM 1658 CG2 ILE A 671 -2.551 -13.073 -5.651 1.00 21.02 C ATOM 1659 CD1 ILE A 671 -0.724 -12.560 -3.039 1.00 12.45 C ATOM 0 H ILE A 671 -2.579 -16.462 -4.090 1.00 52.24 H new ATOM 0 HA ILE A 671 -1.642 -15.397 -6.628 1.00 4.03 H new ATOM 0 HB ILE A 671 -0.469 -13.500 -5.476 1.00 61.10 H new ATOM 0 HG12 ILE A 671 -2.398 -13.875 -3.186 1.00 60.23 H new ATOM 0 HG13 ILE A 671 -0.844 -14.686 -3.171 1.00 60.23 H new ATOM 0 HG21 ILE A 671 -2.446 -12.039 -5.322 1.00 21.02 H new ATOM 0 HG22 ILE A 671 -2.529 -13.111 -6.740 1.00 21.02 H new ATOM 0 HG23 ILE A 671 -3.500 -13.473 -5.293 1.00 21.02 H new ATOM 0 HD11 ILE A 671 -0.739 -12.569 -1.949 1.00 12.45 H new ATOM 0 HD12 ILE A 671 0.308 -12.513 -3.387 1.00 12.45 H new ATOM 0 HD13 ILE A 671 -1.270 -11.689 -3.402 1.00 12.45 H new ATOM 1670 N LEU A 672 0.877 -15.610 -5.552 1.00 53.53 N ATOM 1671 CA LEU A 672 2.155 -16.236 -5.232 1.00 22.02 C ATOM 1672 C LEU A 672 3.265 -15.194 -5.144 1.00 33.55 C ATOM 1673 O LEU A 672 3.040 -14.010 -5.391 1.00 54.21 O ATOM 1674 CB LEU A 672 2.508 -17.286 -6.287 1.00 32.32 C ATOM 1675 CG LEU A 672 2.777 -16.758 -7.697 1.00 4.43 C ATOM 1676 CD1 LEU A 672 3.619 -17.748 -8.486 1.00 14.25 C ATOM 1677 CD2 LEU A 672 1.467 -16.474 -8.418 1.00 10.14 C ATOM 0 H LEU A 672 0.952 -14.758 -6.107 1.00 53.53 H new ATOM 0 HA LEU A 672 2.061 -16.722 -4.261 1.00 22.02 H new ATOM 0 HB2 LEU A 672 3.391 -17.828 -5.949 1.00 32.32 H new ATOM 0 HB3 LEU A 672 1.692 -18.007 -6.340 1.00 32.32 H new ATOM 0 HG LEU A 672 3.334 -15.824 -7.615 1.00 4.43 H new ATOM 0 HD11 LEU A 672 3.800 -17.355 -9.487 1.00 14.25 H new ATOM 0 HD12 LEU A 672 4.571 -17.901 -7.978 1.00 14.25 H new ATOM 0 HD13 LEU A 672 3.090 -18.698 -8.559 1.00 14.25 H new ATOM 0 HD21 LEU A 672 1.677 -16.099 -9.420 1.00 10.14 H new ATOM 0 HD22 LEU A 672 0.884 -17.392 -8.489 1.00 10.14 H new ATOM 0 HD23 LEU A 672 0.900 -15.727 -7.862 1.00 10.14 H new ATOM 1688 N ASP A 673 4.465 -15.644 -4.793 1.00 51.23 N ATOM 1689 CA ASP A 673 5.612 -14.752 -4.675 1.00 35.43 C ATOM 1690 C ASP A 673 6.911 -15.493 -4.976 1.00 1.31 C ATOM 1691 O ASP A 673 6.940 -16.722 -5.017 1.00 32.25 O ATOM 1692 CB ASP A 673 5.671 -14.144 -3.273 1.00 0.10 C ATOM 1693 CG ASP A 673 6.335 -15.066 -2.270 1.00 31.00 C ATOM 1694 OD1 ASP A 673 7.582 -15.147 -2.274 1.00 24.11 O ATOM 1695 OD2 ASP A 673 5.610 -15.705 -1.480 1.00 54.34 O ATOM 0 H ASP A 673 4.668 -16.622 -4.585 1.00 51.23 H new ATOM 0 HA ASP A 673 5.494 -13.951 -5.405 1.00 35.43 H new ATOM 0 HB2 ASP A 673 6.216 -13.201 -3.312 1.00 0.10 H new ATOM 0 HB3 ASP A 673 4.660 -13.914 -2.937 1.00 0.10 H new ATOM 1699 N ALA A 674 7.983 -14.737 -5.187 1.00 75.52 N ATOM 1700 CA ALA A 674 9.285 -15.322 -5.484 1.00 74.04 C ATOM 1701 C ALA A 674 10.368 -14.249 -5.544 1.00 4.14 C ATOM 1702 O ALA A 674 10.108 -13.110 -5.931 1.00 0.13 O ATOM 1703 CB ALA A 674 9.230 -16.094 -6.793 1.00 4.12 C ATOM 0 H ALA A 674 7.976 -13.717 -5.158 1.00 75.52 H new ATOM 0 HA ALA A 674 9.539 -16.012 -4.679 1.00 74.04 H new ATOM 0 HB1 ALA A 674 10.209 -16.525 -7.002 1.00 4.12 H new ATOM 0 HB2 ALA A 674 8.491 -16.892 -6.714 1.00 4.12 H new ATOM 0 HB3 ALA A 674 8.950 -15.419 -7.602 1.00 4.12 H new ATOM 1709 N LYS A 675 11.583 -14.621 -5.158 1.00 60.30 N ATOM 1710 CA LYS A 675 12.708 -13.692 -5.168 1.00 3.32 C ATOM 1711 C LYS A 675 13.701 -14.054 -6.267 1.00 75.04 C ATOM 1712 O LYS A 675 13.561 -15.080 -6.931 1.00 63.43 O ATOM 1713 CB LYS A 675 13.410 -13.695 -3.809 1.00 21.12 C ATOM 1714 CG LYS A 675 14.095 -15.011 -3.481 1.00 75.42 C ATOM 1715 CD LYS A 675 14.678 -15.001 -2.077 1.00 23.15 C ATOM 1716 CE LYS A 675 16.098 -14.455 -2.067 1.00 4.43 C ATOM 1717 NZ LYS A 675 16.889 -14.991 -0.925 1.00 71.30 N ATOM 0 H LYS A 675 11.815 -15.560 -4.834 1.00 60.30 H new ATOM 0 HA LYS A 675 12.321 -12.693 -5.367 1.00 3.32 H new ATOM 0 HB2 LYS A 675 14.150 -12.895 -3.790 1.00 21.12 H new ATOM 0 HB3 LYS A 675 12.679 -13.472 -3.032 1.00 21.12 H new ATOM 0 HG2 LYS A 675 13.379 -15.828 -3.573 1.00 75.42 H new ATOM 0 HG3 LYS A 675 14.888 -15.200 -4.204 1.00 75.42 H new ATOM 0 HD2 LYS A 675 14.049 -14.395 -1.425 1.00 23.15 H new ATOM 0 HD3 LYS A 675 14.673 -16.013 -1.673 1.00 23.15 H new ATOM 0 HE2 LYS A 675 16.593 -14.712 -3.004 1.00 4.43 H new ATOM 0 HE3 LYS A 675 16.069 -13.367 -2.010 1.00 4.43 H new ATOM 0 HZ1 LYS A 675 17.851 -14.596 -0.953 1.00 71.30 H new ATOM 0 HZ2 LYS A 675 16.431 -14.725 -0.030 1.00 71.30 H new ATOM 0 HZ3 LYS A 675 16.939 -16.028 -0.993 1.00 71.30 H new ATOM 1727 N ALA A 676 14.706 -13.204 -6.453 1.00 54.33 N ATOM 1728 CA ALA A 676 15.726 -13.435 -7.469 1.00 45.45 C ATOM 1729 C ALA A 676 17.122 -13.431 -6.856 1.00 35.01 C ATOM 1730 O ALA A 676 17.275 -13.335 -5.639 1.00 10.22 O ATOM 1731 CB ALA A 676 15.625 -12.386 -8.566 1.00 0.52 C ATOM 0 H ALA A 676 14.836 -12.349 -5.913 1.00 54.33 H new ATOM 0 HA ALA A 676 15.553 -14.419 -7.906 1.00 45.45 H new ATOM 0 HB1 ALA A 676 16.392 -12.571 -9.318 1.00 0.52 H new ATOM 0 HB2 ALA A 676 14.641 -12.440 -9.031 1.00 0.52 H new ATOM 0 HB3 ALA A 676 15.769 -11.395 -8.136 1.00 0.52 H new ATOM 1737 N GLN A 677 18.136 -13.535 -7.708 1.00 60.42 N ATOM 1738 CA GLN A 677 19.520 -13.544 -7.249 1.00 22.30 C ATOM 1739 C GLN A 677 20.412 -12.742 -8.192 1.00 2.52 C ATOM 1740 O GLN A 677 20.429 -12.979 -9.399 1.00 31.53 O ATOM 1741 CB GLN A 677 20.035 -14.981 -7.141 1.00 11.23 C ATOM 1742 CG GLN A 677 21.395 -15.091 -6.472 1.00 24.31 C ATOM 1743 CD GLN A 677 21.388 -14.575 -5.047 1.00 70.25 C ATOM 1744 OE1 GLN A 677 20.873 -15.229 -4.140 1.00 70.03 O ATOM 1745 NE2 GLN A 677 21.960 -13.394 -4.842 1.00 22.43 N ATOM 0 H GLN A 677 18.026 -13.614 -8.719 1.00 60.42 H new ATOM 0 HA GLN A 677 19.552 -13.079 -6.264 1.00 22.30 H new ATOM 0 HB2 GLN A 677 19.314 -15.575 -6.580 1.00 11.23 H new ATOM 0 HB3 GLN A 677 20.095 -15.413 -8.140 1.00 11.23 H new ATOM 0 HG2 GLN A 677 21.714 -16.133 -6.475 1.00 24.31 H new ATOM 0 HG3 GLN A 677 22.128 -14.532 -7.053 1.00 24.31 H new ATOM 0 HE21 GLN A 677 22.375 -12.886 -5.623 1.00 22.43 H new ATOM 0 HE22 GLN A 677 21.984 -12.995 -3.904 1.00 22.43 H new ATOM 1752 N LYS A 678 21.152 -11.791 -7.632 1.00 2.44 N ATOM 1753 CA LYS A 678 22.047 -10.953 -8.421 1.00 3.42 C ATOM 1754 C LYS A 678 23.418 -10.848 -7.759 1.00 14.14 C ATOM 1755 O LYS A 678 23.578 -10.167 -6.747 1.00 61.52 O ATOM 1756 CB LYS A 678 21.447 -9.557 -8.600 1.00 61.12 C ATOM 1757 CG LYS A 678 20.880 -8.970 -7.319 1.00 31.32 C ATOM 1758 CD LYS A 678 19.411 -9.317 -7.148 1.00 12.24 C ATOM 1759 CE LYS A 678 18.513 -8.266 -7.783 1.00 5.40 C ATOM 1760 NZ LYS A 678 18.237 -8.564 -9.216 1.00 50.53 N ATOM 0 H LYS A 678 21.149 -11.581 -6.634 1.00 2.44 H new ATOM 0 HA LYS A 678 22.170 -11.417 -9.400 1.00 3.42 H new ATOM 0 HB2 LYS A 678 22.215 -8.888 -8.988 1.00 61.12 H new ATOM 0 HB3 LYS A 678 20.657 -9.604 -9.349 1.00 61.12 H new ATOM 0 HG2 LYS A 678 21.445 -9.344 -6.465 1.00 31.32 H new ATOM 0 HG3 LYS A 678 21.000 -7.887 -7.330 1.00 31.32 H new ATOM 0 HD2 LYS A 678 19.211 -10.289 -7.599 1.00 12.24 H new ATOM 0 HD3 LYS A 678 19.178 -9.404 -6.087 1.00 12.24 H new ATOM 0 HE2 LYS A 678 17.572 -8.214 -7.235 1.00 5.40 H new ATOM 0 HE3 LYS A 678 18.985 -7.287 -7.700 1.00 5.40 H new ATOM 0 HZ1 LYS A 678 17.366 -8.078 -9.510 1.00 50.53 H new ATOM 0 HZ2 LYS A 678 19.032 -8.233 -9.799 1.00 50.53 H new ATOM 0 HZ3 LYS A 678 18.120 -9.590 -9.341 1.00 50.53 H new ATOM 1770 N VAL A 679 24.403 -11.526 -8.340 1.00 34.31 N ATOM 1771 CA VAL A 679 25.760 -11.506 -7.809 1.00 72.34 C ATOM 1772 C VAL A 679 26.687 -10.685 -8.698 1.00 20.22 C ATOM 1773 O VAL A 679 26.638 -10.784 -9.923 1.00 53.12 O ATOM 1774 CB VAL A 679 26.330 -12.930 -7.669 1.00 43.50 C ATOM 1775 CG1 VAL A 679 26.303 -13.649 -9.009 1.00 72.52 C ATOM 1776 CG2 VAL A 679 27.743 -12.886 -7.106 1.00 41.54 C ATOM 0 H VAL A 679 24.286 -12.096 -9.178 1.00 34.31 H new ATOM 0 HA VAL A 679 25.706 -11.046 -6.822 1.00 72.34 H new ATOM 0 HB VAL A 679 25.704 -13.487 -6.972 1.00 43.50 H new ATOM 0 HG11 VAL A 679 26.709 -14.654 -8.891 1.00 72.52 H new ATOM 0 HG12 VAL A 679 25.275 -13.713 -9.367 1.00 72.52 H new ATOM 0 HG13 VAL A 679 26.905 -13.097 -9.731 1.00 72.52 H new ATOM 0 HG21 VAL A 679 28.130 -13.901 -7.014 1.00 41.54 H new ATOM 0 HG22 VAL A 679 28.384 -12.313 -7.776 1.00 41.54 H new ATOM 0 HG23 VAL A 679 27.729 -12.413 -6.124 1.00 41.54 H new ATOM 1786 N GLY A 680 27.535 -9.873 -8.073 1.00 43.25 N ATOM 1787 CA GLY A 680 28.461 -9.046 -8.822 1.00 35.24 C ATOM 1788 C GLY A 680 29.892 -9.535 -8.713 1.00 74.52 C ATOM 1789 O GLY A 680 30.184 -10.694 -9.005 1.00 42.43 O ATOM 0 H GLY A 680 27.596 -9.774 -7.060 1.00 43.25 H new ATOM 0 HA2 GLY A 680 28.164 -9.031 -9.871 1.00 35.24 H new ATOM 0 HA3 GLY A 680 28.402 -8.020 -8.460 1.00 35.24 H new ATOM 1793 N ALA A 681 30.788 -8.647 -8.294 1.00 35.24 N ATOM 1794 CA ALA A 681 32.197 -8.993 -8.148 1.00 51.32 C ATOM 1795 C ALA A 681 32.399 -10.004 -7.023 1.00 0.34 C ATOM 1796 O ALA A 681 33.182 -10.945 -7.156 1.00 42.25 O ATOM 1797 CB ALA A 681 33.024 -7.742 -7.891 1.00 64.23 C ATOM 0 H ALA A 681 30.563 -7.683 -8.050 1.00 35.24 H new ATOM 0 HA ALA A 681 32.532 -9.451 -9.078 1.00 51.32 H new ATOM 0 HB1 ALA A 681 34.074 -8.015 -7.784 1.00 64.23 H new ATOM 0 HB2 ALA A 681 32.912 -7.053 -8.728 1.00 64.23 H new ATOM 0 HB3 ALA A 681 32.680 -7.260 -6.976 1.00 64.23 H new TER 1803 ALA A 681