USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 546 THR OG1 : rot 180:sc= -0.235 USER MOD Set 1.2: B 548 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 70 ASN : amide:sc= -0.408 K(o=-0.41,f=-7.8!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.716 K(o=-0.72,f=-0.0095) USER MOD Single : A 81 HIS : no HD1:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : B 542 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : B 549 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 552 SER OG : rot -50:sc= 0.554 USER MOD Single : B 556 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : B 558 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.5) USER MOD Single : B 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 560 GLN : amide:sc= -2.55 K(o=-2.6,f=-1.6) USER MOD Single : B 561 MET CE :methyl 140:sc= -3.08! (180deg=-7.87!) USER MOD Single : B 571 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1) USER MOD Single : B 573 MET CE :methyl -141:sc= -2.07 (180deg=-6.32!) USER MOD Single : B 574 HIS : no HD1:sc= -8.14! C(o=-8.1!,f=-7.3!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.846 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 160:sc= -0.887 USER MOD Single : B 584 MET CE :methyl 157:sc= -10.8! (180deg=-13.2!) USER MOD Single : B 590 ASN : amide:sc= -5.16! C(o=-5.2!,f=-9.9!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HE2:sc= 0.154 K(o=0.15,f=-0.56) USER MOD Single : B 596 MET CE :methyl -165:sc= -1.81 (180deg=-2.42) USER MOD Single : B 599 SER OG : rot 180:sc= -0.862 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 180:sc= 0 USER MOD Single : B 606 LYS NZ :NH3+ 175:sc= -0.765 (180deg=-0.819) USER MOD Single : B 615 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 617 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 618 GLN : amide:sc= -0.693 K(o=-0.69,f=-1.9) USER MOD Single : B 620 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 64 -0.271 -1.117 -1.152 1.00 0.00 N ATOM 2 CA ALA A 64 0.937 -0.601 -1.783 1.00 0.00 C ATOM 3 C ALA A 64 1.692 -1.709 -2.511 1.00 0.00 C ATOM 4 O ALA A 64 1.885 -2.800 -1.972 1.00 0.00 O ATOM 5 CB ALA A 64 1.835 0.058 -0.746 1.00 0.00 C ATOM 0 HA ALA A 64 0.641 0.147 -2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.733 0.439 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.301 0.882 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.115 -0.674 0.011 1.00 0.00 H new ATOM 11 N PHE A 65 2.116 -1.423 -3.737 1.00 0.00 N ATOM 12 CA PHE A 65 2.848 -2.396 -4.539 1.00 0.00 C ATOM 13 C PHE A 65 4.290 -1.949 -4.754 1.00 0.00 C ATOM 14 O PHE A 65 4.546 -0.926 -5.389 1.00 0.00 O ATOM 15 CB PHE A 65 2.158 -2.598 -5.890 1.00 0.00 C ATOM 16 CG PHE A 65 1.735 -1.314 -6.545 1.00 0.00 C ATOM 17 CD1 PHE A 65 0.522 -0.724 -6.226 1.00 0.00 C ATOM 18 CD2 PHE A 65 2.551 -0.696 -7.479 1.00 0.00 C ATOM 19 CE1 PHE A 65 0.131 0.457 -6.828 1.00 0.00 C ATOM 20 CE2 PHE A 65 2.166 0.486 -8.083 1.00 0.00 C ATOM 21 CZ PHE A 65 0.954 1.063 -7.757 1.00 0.00 C ATOM 0 H PHE A 65 1.965 -0.525 -4.197 1.00 0.00 H new ATOM 0 HA PHE A 65 2.856 -3.342 -3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.834 -3.132 -6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.282 -3.231 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.125 -1.192 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.499 -1.143 -7.738 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.817 0.906 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.812 0.958 -8.809 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.650 1.986 -8.228 1.00 0.00 H new ATOM 31 N SER A 66 5.230 -2.723 -4.220 1.00 0.00 N ATOM 32 CA SER A 66 6.647 -2.405 -4.349 1.00 0.00 C ATOM 33 C SER A 66 7.072 -2.405 -5.814 1.00 0.00 C ATOM 34 O SER A 66 7.980 -1.672 -6.208 1.00 0.00 O ATOM 35 CB SER A 66 7.490 -3.410 -3.561 1.00 0.00 C ATOM 36 OG SER A 66 7.154 -4.742 -3.910 1.00 0.00 O ATOM 0 H SER A 66 5.035 -3.575 -3.694 1.00 0.00 H new ATOM 0 HA SER A 66 6.809 -1.407 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.548 -3.235 -3.757 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.335 -3.261 -2.492 1.00 0.00 H new ATOM 0 HG SER A 66 7.708 -5.365 -3.394 1.00 0.00 H new ATOM 42 N ARG A 67 6.411 -3.232 -6.616 1.00 0.00 N ATOM 43 CA ARG A 67 6.720 -3.329 -8.038 1.00 0.00 C ATOM 44 C ARG A 67 6.677 -1.954 -8.698 1.00 0.00 C ATOM 45 O ARG A 67 6.285 -0.968 -8.075 1.00 0.00 O ATOM 46 CB ARG A 67 5.736 -4.272 -8.732 1.00 0.00 C ATOM 47 CG ARG A 67 6.327 -4.990 -9.935 1.00 0.00 C ATOM 48 CD ARG A 67 5.579 -6.279 -10.236 1.00 0.00 C ATOM 49 NE ARG A 67 4.195 -6.030 -10.629 1.00 0.00 N ATOM 50 CZ ARG A 67 3.263 -6.975 -10.677 1.00 0.00 C ATOM 51 NH1 ARG A 67 3.565 -8.226 -10.356 1.00 0.00 N ATOM 52 NH2 ARG A 67 2.025 -6.670 -11.044 1.00 0.00 N ATOM 0 H ARG A 67 5.657 -3.845 -6.306 1.00 0.00 H new ATOM 0 HA ARG A 67 7.729 -3.730 -8.139 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.387 -5.013 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.864 -3.702 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.290 -4.335 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.377 -5.213 -9.748 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.091 -6.817 -11.034 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.596 -6.922 -9.356 1.00 0.00 H new ATOM 0 HE ARG A 67 3.929 -5.078 -10.881 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.515 -8.464 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.847 -8.950 -10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.788 -5.709 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.310 -7.397 -11.080 1.00 0.00 H new ATOM 66 N GLN A 68 7.082 -1.898 -9.963 1.00 0.00 N ATOM 67 CA GLN A 68 7.091 -0.644 -10.707 1.00 0.00 C ATOM 68 C GLN A 68 5.737 0.052 -10.616 1.00 0.00 C ATOM 69 O GLN A 68 4.693 -0.600 -10.576 1.00 0.00 O ATOM 70 CB GLN A 68 7.449 -0.898 -12.172 1.00 0.00 C ATOM 71 CG GLN A 68 7.718 0.372 -12.962 1.00 0.00 C ATOM 72 CD GLN A 68 8.253 0.093 -14.352 1.00 0.00 C ATOM 73 OE1 GLN A 68 8.537 -1.053 -14.702 1.00 0.00 O ATOM 74 NE2 GLN A 68 8.394 1.141 -15.155 1.00 0.00 N ATOM 0 H GLN A 68 7.408 -2.706 -10.494 1.00 0.00 H new ATOM 0 HA GLN A 68 7.845 0.007 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.331 -1.537 -12.216 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.635 -1.445 -12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.796 0.948 -13.041 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.434 0.989 -12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.147 2.074 -14.824 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.750 1.013 -16.102 1.00 0.00 H new ATOM 83 N LEU A 69 5.761 1.380 -10.582 1.00 0.00 N ATOM 84 CA LEU A 69 4.535 2.166 -10.495 1.00 0.00 C ATOM 85 C LEU A 69 4.419 3.125 -11.675 1.00 0.00 C ATOM 86 O LEU A 69 5.366 3.303 -12.439 1.00 0.00 O ATOM 87 CB LEU A 69 4.500 2.948 -9.181 1.00 0.00 C ATOM 88 CG LEU A 69 5.786 3.683 -8.803 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.848 5.039 -9.489 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.885 3.842 -7.293 1.00 0.00 C ATOM 0 H LEU A 69 6.616 1.935 -10.613 1.00 0.00 H new ATOM 0 HA LEU A 69 3.689 1.480 -10.524 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.692 3.677 -9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.251 2.256 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 69 6.634 3.089 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.770 5.547 -9.208 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.825 4.901 -10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.993 5.642 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.807 4.367 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.031 4.414 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.889 2.859 -6.823 1.00 0.00 H new ATOM 102 N ASN A 70 3.250 3.742 -11.816 1.00 0.00 N ATOM 103 CA ASN A 70 3.010 4.686 -12.902 1.00 0.00 C ATOM 104 C ASN A 70 3.445 6.093 -12.506 1.00 0.00 C ATOM 105 O ASN A 70 3.190 6.542 -11.389 1.00 0.00 O ATOM 106 CB ASN A 70 1.529 4.687 -13.286 1.00 0.00 C ATOM 107 CG ASN A 70 1.176 5.823 -14.227 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.878 6.072 -15.207 1.00 0.00 O ATOM 109 ND2 ASN A 70 0.084 6.518 -13.931 1.00 0.00 N ATOM 0 H ASN A 70 2.455 3.605 -11.192 1.00 0.00 H new ATOM 0 HA ASN A 70 3.601 4.371 -13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.278 3.737 -13.758 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.923 4.765 -12.384 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.203 7.294 -14.527 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.467 6.275 -13.108 1.00 0.00 H new ATOM 116 N VAL A 71 4.102 6.786 -13.431 1.00 0.00 N ATOM 117 CA VAL A 71 4.572 8.143 -13.181 1.00 0.00 C ATOM 118 C VAL A 71 3.543 9.173 -13.634 1.00 0.00 C ATOM 119 O VAL A 71 3.542 10.311 -13.168 1.00 0.00 O ATOM 120 CB VAL A 71 5.907 8.417 -13.898 1.00 0.00 C ATOM 121 CG1 VAL A 71 5.778 8.145 -15.389 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.363 9.846 -13.646 1.00 0.00 C ATOM 0 H VAL A 71 4.321 6.429 -14.361 1.00 0.00 H new ATOM 0 HA VAL A 71 4.722 8.232 -12.105 1.00 0.00 H new ATOM 0 HB VAL A 71 6.662 7.742 -13.494 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.731 8.344 -15.879 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.500 7.103 -15.546 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.010 8.793 -15.812 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.308 10.022 -14.160 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.611 10.540 -14.022 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.498 10.002 -12.576 1.00 0.00 H new ATOM 132 N ASN A 72 2.668 8.764 -14.547 1.00 0.00 N ATOM 133 CA ASN A 72 1.633 9.652 -15.064 1.00 0.00 C ATOM 134 C ASN A 72 0.581 9.942 -13.997 1.00 0.00 C ATOM 135 O ASN A 72 -0.262 10.822 -14.165 1.00 0.00 O ATOM 136 CB ASN A 72 0.968 9.032 -16.295 1.00 0.00 C ATOM 137 CG ASN A 72 1.605 9.496 -17.591 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.119 10.426 -18.236 1.00 0.00 O ATOM 139 ND2 ASN A 72 2.697 8.848 -17.979 1.00 0.00 N ATOM 0 H ASN A 72 2.655 7.824 -14.944 1.00 0.00 H new ATOM 0 HA ASN A 72 2.106 10.592 -15.348 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.031 7.946 -16.231 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.091 9.290 -16.301 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.168 9.115 -18.843 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.064 8.083 -17.413 1.00 0.00 H new ATOM 146 N ALA A 73 0.639 9.195 -12.899 1.00 0.00 N ATOM 147 CA ALA A 73 -0.306 9.374 -11.804 1.00 0.00 C ATOM 148 C ALA A 73 -0.356 10.830 -11.354 1.00 0.00 C ATOM 149 O ALA A 73 0.647 11.387 -10.908 1.00 0.00 O ATOM 150 CB ALA A 73 0.063 8.470 -10.636 1.00 0.00 C ATOM 0 H ALA A 73 1.330 8.461 -12.745 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.298 9.099 -12.163 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.651 8.614 -9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.040 7.429 -10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.065 8.719 -10.286 1.00 0.00 H new ATOM 156 N LYS A 74 -1.529 11.441 -11.474 1.00 0.00 N ATOM 157 CA LYS A 74 -1.711 12.833 -11.079 1.00 0.00 C ATOM 158 C LYS A 74 -1.211 13.065 -9.656 1.00 0.00 C ATOM 159 O LYS A 74 -1.439 12.259 -8.754 1.00 0.00 O ATOM 160 CB LYS A 74 -3.186 13.225 -11.182 1.00 0.00 C ATOM 161 CG LYS A 74 -3.483 14.620 -10.659 1.00 0.00 C ATOM 162 CD LYS A 74 -4.978 14.871 -10.554 1.00 0.00 C ATOM 163 CE LYS A 74 -5.536 14.368 -9.232 1.00 0.00 C ATOM 164 NZ LYS A 74 -7.012 14.178 -9.289 1.00 0.00 N ATOM 0 H LYS A 74 -2.369 10.994 -11.842 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.127 13.456 -11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.498 13.163 -12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.785 12.503 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.022 14.748 -9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.035 15.361 -11.321 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.177 15.938 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.490 14.375 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.058 13.423 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.291 15.077 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.354 13.834 -8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.470 15.085 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.244 13.482 -10.026 1.00 0.00 H new ATOM 178 N PRO A 75 -0.513 14.192 -9.449 1.00 0.00 N ATOM 179 CA PRO A 75 0.031 14.556 -8.138 1.00 0.00 C ATOM 180 C PRO A 75 -1.060 14.932 -7.141 1.00 0.00 C ATOM 181 O PRO A 75 -1.576 14.078 -6.420 1.00 0.00 O ATOM 182 CB PRO A 75 0.915 15.768 -8.446 1.00 0.00 C ATOM 183 CG PRO A 75 0.335 16.355 -9.685 1.00 0.00 C ATOM 184 CD PRO A 75 -0.204 15.197 -10.480 1.00 0.00 C ATOM 0 HA PRO A 75 0.566 13.727 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.903 16.485 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.953 15.473 -8.596 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.456 17.066 -9.447 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.092 16.898 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.092 15.477 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.528 14.826 -11.197 1.00 0.00 H new ATOM 192 N PHE A 76 -1.407 16.214 -7.106 1.00 0.00 N ATOM 193 CA PHE A 76 -2.437 16.703 -6.197 1.00 0.00 C ATOM 194 C PHE A 76 -2.785 18.157 -6.501 1.00 0.00 C ATOM 195 O PHE A 76 -2.305 18.731 -7.479 1.00 0.00 O ATOM 196 CB PHE A 76 -1.970 16.571 -4.746 1.00 0.00 C ATOM 197 CG PHE A 76 -0.853 17.509 -4.388 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.401 17.364 -4.958 1.00 0.00 C ATOM 199 CD2 PHE A 76 -1.057 18.536 -3.480 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.431 18.226 -4.631 1.00 0.00 C ATOM 201 CE2 PHE A 76 -0.031 19.401 -3.149 1.00 0.00 C ATOM 202 CZ PHE A 76 1.215 19.245 -3.725 1.00 0.00 C ATOM 0 H PHE A 76 -0.990 16.933 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.331 16.096 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.815 16.755 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.644 15.546 -4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.576 16.568 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.029 18.662 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.404 18.102 -5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.203 20.198 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.019 19.919 -3.467 1.00 0.00 H new ATOM 212 N VAL A 77 -3.624 18.748 -5.656 1.00 0.00 N ATOM 213 CA VAL A 77 -4.037 20.135 -5.833 1.00 0.00 C ATOM 214 C VAL A 77 -3.424 21.031 -4.763 1.00 0.00 C ATOM 215 O VAL A 77 -4.032 21.312 -3.730 1.00 0.00 O ATOM 216 CB VAL A 77 -5.571 20.274 -5.787 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.192 19.771 -7.081 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.137 19.527 -4.589 1.00 0.00 C ATOM 0 H VAL A 77 -4.031 18.288 -4.842 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.681 20.449 -6.814 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.820 21.330 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.276 19.877 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.809 20.354 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.937 18.721 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.221 19.636 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.879 18.471 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.716 19.939 -3.672 1.00 0.00 H new ATOM 228 N PRO A 78 -2.191 21.494 -5.015 1.00 0.00 N ATOM 229 CA PRO A 78 -1.468 22.367 -4.085 1.00 0.00 C ATOM 230 C PRO A 78 -2.080 23.761 -4.005 1.00 0.00 C ATOM 231 O PRO A 78 -3.063 24.057 -4.682 1.00 0.00 O ATOM 232 CB PRO A 78 -0.061 22.435 -4.684 1.00 0.00 C ATOM 233 CG PRO A 78 -0.253 22.160 -6.135 1.00 0.00 C ATOM 234 CD PRO A 78 -1.407 21.200 -6.226 1.00 0.00 C ATOM 0 HA PRO A 78 -1.494 21.986 -3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.391 23.414 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.600 21.699 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.466 23.079 -6.681 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.648 21.730 -6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.992 21.359 -7.132 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.068 20.164 -6.244 1.00 0.00 H new ATOM 242 N ASN A 79 -1.492 24.614 -3.172 1.00 0.00 N ATOM 243 CA ASN A 79 -1.980 25.977 -3.003 1.00 0.00 C ATOM 244 C ASN A 79 -1.091 26.970 -3.747 1.00 0.00 C ATOM 245 O ASN A 79 -0.816 28.064 -3.254 1.00 0.00 O ATOM 246 CB ASN A 79 -2.038 26.341 -1.518 1.00 0.00 C ATOM 247 CG ASN A 79 -3.150 25.614 -0.787 1.00 0.00 C ATOM 248 OD1 ASN A 79 -4.291 26.076 -0.754 1.00 0.00 O ATOM 249 ND2 ASN A 79 -2.823 24.471 -0.197 1.00 0.00 N ATOM 0 H ASN A 79 -0.677 24.385 -2.604 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.985 26.030 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.083 26.102 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.182 27.417 -1.416 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.530 23.938 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.865 24.126 -0.250 1.00 0.00 H new ATOM 256 N VAL A 80 -0.646 26.580 -4.937 1.00 0.00 N ATOM 257 CA VAL A 80 0.211 27.435 -5.750 1.00 0.00 C ATOM 258 C VAL A 80 -0.017 27.186 -7.237 1.00 0.00 C ATOM 259 O VAL A 80 -0.334 26.070 -7.649 1.00 0.00 O ATOM 260 CB VAL A 80 1.699 27.210 -5.425 1.00 0.00 C ATOM 261 CG1 VAL A 80 2.024 27.717 -4.028 1.00 0.00 C ATOM 262 CG2 VAL A 80 2.058 25.739 -5.564 1.00 0.00 C ATOM 0 H VAL A 80 -0.865 25.678 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.053 28.466 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 80 2.298 27.776 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.080 27.549 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.807 28.784 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.418 27.182 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.113 25.598 -5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.452 25.150 -4.875 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.866 25.413 -6.586 1.00 0.00 H new ATOM 272 N HIS A 81 0.147 28.233 -8.039 1.00 0.00 N ATOM 273 CA HIS A 81 -0.039 28.128 -9.481 1.00 0.00 C ATOM 274 C HIS A 81 1.131 27.393 -10.128 1.00 0.00 C ATOM 275 O HIS A 81 0.939 26.419 -10.856 1.00 0.00 O ATOM 276 CB HIS A 81 -0.188 29.518 -10.100 1.00 0.00 C ATOM 277 CG HIS A 81 -1.369 30.281 -9.583 1.00 0.00 C ATOM 278 ND1 HIS A 81 -2.452 30.614 -10.368 1.00 0.00 N ATOM 279 CD2 HIS A 81 -1.633 30.775 -8.351 1.00 0.00 C ATOM 280 CE1 HIS A 81 -3.331 31.281 -9.642 1.00 0.00 C ATOM 281 NE2 HIS A 81 -2.858 31.392 -8.414 1.00 0.00 N ATOM 0 H HIS A 81 0.408 29.164 -7.714 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.950 27.557 -9.664 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.718 30.092 -9.906 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.276 29.417 -11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.998 30.698 -7.480 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -4.276 31.669 -9.993 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -3.327 31.860 -7.638 1.00 0.00 H new ATOM 289 N ALA A 82 2.343 27.867 -9.859 1.00 0.00 N ATOM 290 CA ALA A 82 3.543 27.254 -10.413 1.00 0.00 C ATOM 291 C ALA A 82 3.866 25.941 -9.707 1.00 0.00 C ATOM 292 O ALA A 82 4.461 25.057 -10.322 1.00 0.00 O ATOM 293 CB ALA A 82 4.721 28.212 -10.312 1.00 0.00 C ATOM 0 H ALA A 82 2.519 28.674 -9.261 1.00 0.00 H new ATOM 0 HA ALA A 82 3.355 27.035 -11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.610 27.740 -10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.498 29.123 -10.868 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.899 28.460 -9.266 1.00 0.00 H new TER 299 ALA A 82 ATOM 300 N GLY B 541 13.697 18.615 14.470 1.00 0.00 N ATOM 301 CA GLY B 541 14.146 17.317 14.002 1.00 0.00 C ATOM 302 C GLY B 541 13.144 16.657 13.076 1.00 0.00 C ATOM 303 O GLY B 541 13.482 16.282 11.953 1.00 0.00 O ATOM 0 HA2 GLY B 541 15.097 17.431 13.482 1.00 0.00 H new ATOM 0 HA3 GLY B 541 14.327 16.668 14.859 1.00 0.00 H new ATOM 307 N GLN B 542 11.910 16.513 13.547 1.00 0.00 N ATOM 308 CA GLN B 542 10.857 15.891 12.753 1.00 0.00 C ATOM 309 C GLN B 542 9.498 16.058 13.423 1.00 0.00 C ATOM 310 O GLN B 542 9.369 15.887 14.635 1.00 0.00 O ATOM 311 CB GLN B 542 11.157 14.405 12.544 1.00 0.00 C ATOM 312 CG GLN B 542 11.006 13.951 11.101 1.00 0.00 C ATOM 313 CD GLN B 542 10.743 12.462 10.983 1.00 0.00 C ATOM 314 OE1 GLN B 542 11.370 11.653 11.666 1.00 0.00 O ATOM 315 NE2 GLN B 542 9.811 12.093 10.112 1.00 0.00 N ATOM 0 H GLN B 542 11.615 16.818 14.474 1.00 0.00 H new ATOM 0 HA GLN B 542 10.826 16.388 11.784 1.00 0.00 H new ATOM 0 HB2 GLN B 542 12.174 14.198 12.877 1.00 0.00 H new ATOM 0 HB3 GLN B 542 10.490 13.816 13.173 1.00 0.00 H new ATOM 0 HG2 GLN B 542 10.187 14.499 10.635 1.00 0.00 H new ATOM 0 HG3 GLN B 542 11.912 14.201 10.548 1.00 0.00 H new ATOM 0 HE21 GLN B 542 9.315 12.798 9.566 1.00 0.00 H new ATOM 0 HE22 GLN B 542 9.591 11.105 9.989 1.00 0.00 H new ATOM 324 N GLU B 543 8.488 16.395 12.627 1.00 0.00 N ATOM 325 CA GLU B 543 7.139 16.586 13.146 1.00 0.00 C ATOM 326 C GLU B 543 6.095 16.160 12.117 1.00 0.00 C ATOM 327 O GLU B 543 5.393 16.984 11.530 1.00 0.00 O ATOM 328 CB GLU B 543 6.921 18.050 13.533 1.00 0.00 C ATOM 329 CG GLU B 543 7.749 18.494 14.727 1.00 0.00 C ATOM 330 CD GLU B 543 7.283 19.817 15.302 1.00 0.00 C ATOM 331 OE1 GLU B 543 6.202 20.293 14.894 1.00 0.00 O ATOM 332 OE2 GLU B 543 7.997 20.378 16.159 1.00 0.00 O ATOM 0 H GLU B 543 8.578 16.541 11.622 1.00 0.00 H new ATOM 0 HA GLU B 543 7.026 15.962 14.033 1.00 0.00 H new ATOM 0 HB2 GLU B 543 7.162 18.683 12.679 1.00 0.00 H new ATOM 0 HB3 GLU B 543 5.865 18.205 13.756 1.00 0.00 H new ATOM 0 HG2 GLU B 543 7.701 17.729 15.502 1.00 0.00 H new ATOM 0 HG3 GLU B 543 8.794 18.580 14.428 1.00 0.00 H new ATOM 339 N PRO B 544 5.989 14.842 11.893 1.00 0.00 N ATOM 340 CA PRO B 544 5.035 14.276 10.936 1.00 0.00 C ATOM 341 C PRO B 544 3.591 14.410 11.408 1.00 0.00 C ATOM 342 O PRO B 544 3.302 14.281 12.599 1.00 0.00 O ATOM 343 CB PRO B 544 5.438 12.801 10.863 1.00 0.00 C ATOM 344 CG PRO B 544 6.104 12.525 12.167 1.00 0.00 C ATOM 345 CD PRO B 544 6.794 13.803 12.558 1.00 0.00 C ATOM 0 HA PRO B 544 5.069 14.790 9.975 1.00 0.00 H new ATOM 0 HB2 PRO B 544 4.568 12.160 10.719 1.00 0.00 H new ATOM 0 HB3 PRO B 544 6.112 12.616 10.027 1.00 0.00 H new ATOM 0 HG2 PRO B 544 5.376 12.228 12.922 1.00 0.00 H new ATOM 0 HG3 PRO B 544 6.819 11.708 12.075 1.00 0.00 H new ATOM 0 HD2 PRO B 544 6.809 13.937 13.640 1.00 0.00 H new ATOM 0 HD3 PRO B 544 7.830 13.820 12.220 1.00 0.00 H new ATOM 353 N LEU B 545 2.688 14.670 10.469 1.00 0.00 N ATOM 354 CA LEU B 545 1.273 14.821 10.789 1.00 0.00 C ATOM 355 C LEU B 545 0.670 13.493 11.234 1.00 0.00 C ATOM 356 O LEU B 545 1.391 12.535 11.519 1.00 0.00 O ATOM 357 CB LEU B 545 0.510 15.360 9.578 1.00 0.00 C ATOM 358 CG LEU B 545 1.225 16.436 8.759 1.00 0.00 C ATOM 359 CD1 LEU B 545 1.627 15.891 7.397 1.00 0.00 C ATOM 360 CD2 LEU B 545 0.340 17.664 8.604 1.00 0.00 C ATOM 0 H LEU B 545 2.911 14.781 9.480 1.00 0.00 H new ATOM 0 HA LEU B 545 1.186 15.532 11.611 1.00 0.00 H new ATOM 0 HB2 LEU B 545 0.278 14.524 8.918 1.00 0.00 H new ATOM 0 HB3 LEU B 545 -0.440 15.767 9.924 1.00 0.00 H new ATOM 0 HG LEU B 545 2.130 16.730 9.291 1.00 0.00 H new ATOM 0 HD11 LEU B 545 2.134 16.670 6.828 1.00 0.00 H new ATOM 0 HD12 LEU B 545 2.298 15.042 7.528 1.00 0.00 H new ATOM 0 HD13 LEU B 545 0.737 15.569 6.857 1.00 0.00 H new ATOM 0 HD21 LEU B 545 0.865 18.419 8.019 1.00 0.00 H new ATOM 0 HD22 LEU B 545 -0.582 17.386 8.094 1.00 0.00 H new ATOM 0 HD23 LEU B 545 0.103 18.068 9.588 1.00 0.00 H new ATOM 372 N THR B 546 -0.657 13.440 11.290 1.00 0.00 N ATOM 373 CA THR B 546 -1.357 12.229 11.699 1.00 0.00 C ATOM 374 C THR B 546 -2.699 12.102 10.986 1.00 0.00 C ATOM 375 O THR B 546 -3.185 13.059 10.384 1.00 0.00 O ATOM 376 CB THR B 546 -1.593 12.203 13.221 1.00 0.00 C ATOM 377 OG1 THR B 546 -2.236 10.980 13.597 1.00 0.00 O ATOM 378 CG2 THR B 546 -2.447 13.385 13.657 1.00 0.00 C ATOM 0 H THR B 546 -1.269 14.222 11.057 1.00 0.00 H new ATOM 0 HA THR B 546 -0.721 11.388 11.423 1.00 0.00 H new ATOM 0 HB THR B 546 -0.625 12.271 13.717 1.00 0.00 H new ATOM 0 HG1 THR B 546 -2.381 10.971 14.566 1.00 0.00 H new ATOM 0 HG21 THR B 546 -2.600 13.345 14.735 1.00 0.00 H new ATOM 0 HG22 THR B 546 -1.942 14.315 13.396 1.00 0.00 H new ATOM 0 HG23 THR B 546 -3.412 13.343 13.152 1.00 0.00 H new ATOM 386 N ALA B 547 -3.293 10.916 11.059 1.00 0.00 N ATOM 387 CA ALA B 547 -4.580 10.665 10.423 1.00 0.00 C ATOM 388 C ALA B 547 -5.650 11.610 10.959 1.00 0.00 C ATOM 389 O ALA B 547 -6.675 11.833 10.314 1.00 0.00 O ATOM 390 CB ALA B 547 -4.999 9.217 10.631 1.00 0.00 C ATOM 0 H ALA B 547 -2.903 10.113 11.553 1.00 0.00 H new ATOM 0 HA ALA B 547 -4.471 10.850 9.354 1.00 0.00 H new ATOM 0 HB1 ALA B 547 -5.962 9.044 10.151 1.00 0.00 H new ATOM 0 HB2 ALA B 547 -4.251 8.555 10.193 1.00 0.00 H new ATOM 0 HB3 ALA B 547 -5.084 9.013 11.698 1.00 0.00 H new ATOM 396 N SER B 548 -5.407 12.161 12.144 1.00 0.00 N ATOM 397 CA SER B 548 -6.353 13.078 12.769 1.00 0.00 C ATOM 398 C SER B 548 -6.621 14.279 11.867 1.00 0.00 C ATOM 399 O SER B 548 -7.768 14.688 11.685 1.00 0.00 O ATOM 400 CB SER B 548 -5.818 13.552 14.122 1.00 0.00 C ATOM 401 OG SER B 548 -5.411 12.455 14.922 1.00 0.00 O ATOM 0 H SER B 548 -4.563 11.988 12.690 1.00 0.00 H new ATOM 0 HA SER B 548 -7.291 12.544 12.924 1.00 0.00 H new ATOM 0 HB2 SER B 548 -4.975 14.226 13.968 1.00 0.00 H new ATOM 0 HB3 SER B 548 -6.589 14.120 14.643 1.00 0.00 H new ATOM 0 HG SER B 548 -5.072 12.784 15.780 1.00 0.00 H new ATOM 407 N MET B 549 -5.555 14.840 11.306 1.00 0.00 N ATOM 408 CA MET B 549 -5.676 15.994 10.422 1.00 0.00 C ATOM 409 C MET B 549 -6.702 15.733 9.325 1.00 0.00 C ATOM 410 O MET B 549 -7.630 16.520 9.129 1.00 0.00 O ATOM 411 CB MET B 549 -4.319 16.329 9.799 1.00 0.00 C ATOM 412 CG MET B 549 -3.458 17.232 10.667 1.00 0.00 C ATOM 413 SD MET B 549 -2.841 16.396 12.140 1.00 0.00 S ATOM 414 CE MET B 549 -1.642 17.589 12.729 1.00 0.00 C ATOM 0 H MET B 549 -4.599 14.515 11.447 1.00 0.00 H new ATOM 0 HA MET B 549 -6.015 16.843 11.016 1.00 0.00 H new ATOM 0 HB2 MET B 549 -3.779 15.402 9.605 1.00 0.00 H new ATOM 0 HB3 MET B 549 -4.480 16.812 8.835 1.00 0.00 H new ATOM 0 HG2 MET B 549 -2.615 17.596 10.081 1.00 0.00 H new ATOM 0 HG3 MET B 549 -4.039 18.104 10.966 1.00 0.00 H new ATOM 0 HE1 MET B 549 -1.173 17.214 13.639 1.00 0.00 H new ATOM 0 HE2 MET B 549 -0.880 17.746 11.966 1.00 0.00 H new ATOM 0 HE3 MET B 549 -2.143 18.534 12.942 1.00 0.00 H new ATOM 424 N LEU B 550 -6.531 14.626 8.611 1.00 0.00 N ATOM 425 CA LEU B 550 -7.443 14.262 7.532 1.00 0.00 C ATOM 426 C LEU B 550 -8.739 13.680 8.088 1.00 0.00 C ATOM 427 O LEU B 550 -9.718 13.512 7.361 1.00 0.00 O ATOM 428 CB LEU B 550 -6.778 13.253 6.595 1.00 0.00 C ATOM 429 CG LEU B 550 -5.283 13.452 6.346 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.787 12.489 5.278 1.00 0.00 C ATOM 431 CD2 LEU B 550 -4.996 14.891 5.943 1.00 0.00 C ATOM 0 H LEU B 550 -5.769 13.965 8.760 1.00 0.00 H new ATOM 0 HA LEU B 550 -7.683 15.165 6.971 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -6.928 12.254 7.004 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -7.293 13.285 5.635 1.00 0.00 H new ATOM 0 HG LEU B 550 -4.749 13.242 7.273 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.721 12.645 5.114 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.957 11.463 5.605 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -5.327 12.667 4.348 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -3.927 15.014 5.770 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -5.541 15.129 5.030 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.314 15.563 6.741 1.00 0.00 H new ATOM 443 N ALA B 551 -8.738 13.376 9.382 1.00 0.00 N ATOM 444 CA ALA B 551 -9.914 12.817 10.036 1.00 0.00 C ATOM 445 C ALA B 551 -11.086 13.791 9.984 1.00 0.00 C ATOM 446 O ALA B 551 -12.183 13.435 9.552 1.00 0.00 O ATOM 447 CB ALA B 551 -9.593 12.452 11.478 1.00 0.00 C ATOM 0 H ALA B 551 -7.936 13.508 9.998 1.00 0.00 H new ATOM 0 HA ALA B 551 -10.202 11.913 9.499 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.481 12.036 11.954 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.791 11.714 11.497 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.277 13.345 12.018 1.00 0.00 H new ATOM 453 N SER B 552 -10.848 15.021 10.427 1.00 0.00 N ATOM 454 CA SER B 552 -11.885 16.046 10.435 1.00 0.00 C ATOM 455 C SER B 552 -11.796 16.919 9.187 1.00 0.00 C ATOM 456 O SER B 552 -12.095 18.112 9.228 1.00 0.00 O ATOM 457 CB SER B 552 -11.764 16.915 11.689 1.00 0.00 C ATOM 458 OG SER B 552 -12.879 17.779 11.820 1.00 0.00 O ATOM 0 H SER B 552 -9.945 15.332 10.785 1.00 0.00 H new ATOM 0 HA SER B 552 -12.854 15.547 10.440 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.688 16.278 12.570 1.00 0.00 H new ATOM 0 HB3 SER B 552 -10.848 17.503 11.641 1.00 0.00 H new ATOM 0 HG SER B 552 -13.032 18.247 10.972 1.00 0.00 H new ATOM 464 N ALA B 553 -11.383 16.314 8.078 1.00 0.00 N ATOM 465 CA ALA B 553 -11.256 17.034 6.817 1.00 0.00 C ATOM 466 C ALA B 553 -11.893 16.253 5.673 1.00 0.00 C ATOM 467 O ALA B 553 -12.105 15.044 5.757 1.00 0.00 O ATOM 468 CB ALA B 553 -9.792 17.317 6.516 1.00 0.00 C ATOM 0 H ALA B 553 -11.131 15.327 8.027 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.785 17.982 6.913 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.712 17.855 5.571 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.367 17.923 7.316 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.247 16.376 6.445 1.00 0.00 H new ATOM 474 N PRO B 554 -12.205 16.959 4.576 1.00 0.00 N ATOM 475 CA PRO B 554 -12.822 16.351 3.393 1.00 0.00 C ATOM 476 C PRO B 554 -11.863 15.431 2.646 1.00 0.00 C ATOM 477 O PRO B 554 -10.657 15.417 2.896 1.00 0.00 O ATOM 478 CB PRO B 554 -13.190 17.558 2.525 1.00 0.00 C ATOM 479 CG PRO B 554 -12.239 18.627 2.941 1.00 0.00 C ATOM 480 CD PRO B 554 -11.980 18.404 4.405 1.00 0.00 C ATOM 0 HA PRO B 554 -13.672 15.722 3.655 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.089 17.329 1.464 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.224 17.862 2.688 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.314 18.571 2.368 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.663 19.616 2.766 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -10.964 18.688 4.681 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.655 18.992 5.027 1.00 0.00 H new ATOM 488 N PRO B 555 -12.407 14.643 1.708 1.00 0.00 N ATOM 489 CA PRO B 555 -11.616 13.705 0.905 1.00 0.00 C ATOM 490 C PRO B 555 -10.701 14.418 -0.085 1.00 0.00 C ATOM 491 O PRO B 555 -9.857 13.792 -0.724 1.00 0.00 O ATOM 492 CB PRO B 555 -12.678 12.892 0.161 1.00 0.00 C ATOM 493 CG PRO B 555 -13.865 13.789 0.095 1.00 0.00 C ATOM 494 CD PRO B 555 -13.837 14.607 1.357 1.00 0.00 C ATOM 0 HA PRO B 555 -10.951 13.100 1.522 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.337 12.613 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.910 11.967 0.689 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.822 14.429 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.787 13.212 0.025 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.237 15.608 1.196 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.433 14.149 2.146 1.00 0.00 H new ATOM 502 N GLN B 556 -10.875 15.731 -0.205 1.00 0.00 N ATOM 503 CA GLN B 556 -10.063 16.528 -1.117 1.00 0.00 C ATOM 504 C GLN B 556 -8.901 17.185 -0.380 1.00 0.00 C ATOM 505 O GLN B 556 -7.774 17.207 -0.874 1.00 0.00 O ATOM 506 CB GLN B 556 -10.922 17.597 -1.795 1.00 0.00 C ATOM 507 CG GLN B 556 -10.465 17.940 -3.204 1.00 0.00 C ATOM 508 CD GLN B 556 -11.179 17.124 -4.264 1.00 0.00 C ATOM 509 OE1 GLN B 556 -11.616 16.001 -4.010 1.00 0.00 O ATOM 510 NE2 GLN B 556 -11.301 17.686 -5.461 1.00 0.00 N ATOM 0 H GLN B 556 -11.570 16.264 0.317 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.656 15.862 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.955 17.252 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.909 18.502 -1.187 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -10.637 19.000 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -9.391 17.773 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -10.924 18.619 -5.627 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -11.772 17.185 -6.214 1.00 0.00 H new ATOM 519 N GLU B 557 -9.184 17.719 0.804 1.00 0.00 N ATOM 520 CA GLU B 557 -8.161 18.378 1.608 1.00 0.00 C ATOM 521 C GLU B 557 -7.085 17.386 2.038 1.00 0.00 C ATOM 522 O GLU B 557 -5.959 17.774 2.351 1.00 0.00 O ATOM 523 CB GLU B 557 -8.792 19.029 2.841 1.00 0.00 C ATOM 524 CG GLU B 557 -9.466 20.359 2.549 1.00 0.00 C ATOM 525 CD GLU B 557 -10.188 20.925 3.757 1.00 0.00 C ATOM 526 OE1 GLU B 557 -9.604 20.905 4.860 1.00 0.00 O ATOM 527 OE2 GLU B 557 -11.337 21.388 3.597 1.00 0.00 O ATOM 0 H GLU B 557 -10.112 17.708 1.227 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.695 19.150 0.996 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.526 18.345 3.267 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.021 19.180 3.596 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -8.717 21.075 2.210 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.177 20.230 1.733 1.00 0.00 H new ATOM 534 N GLN B 558 -7.439 16.105 2.051 1.00 0.00 N ATOM 535 CA GLN B 558 -6.504 15.058 2.443 1.00 0.00 C ATOM 536 C GLN B 558 -5.227 15.130 1.613 1.00 0.00 C ATOM 537 O GLN B 558 -4.143 15.381 2.142 1.00 0.00 O ATOM 538 CB GLN B 558 -7.152 13.681 2.286 1.00 0.00 C ATOM 539 CG GLN B 558 -8.459 13.533 3.048 1.00 0.00 C ATOM 540 CD GLN B 558 -8.588 12.184 3.728 1.00 0.00 C ATOM 541 OE1 GLN B 558 -8.065 11.179 3.245 1.00 0.00 O ATOM 542 NE2 GLN B 558 -9.286 12.155 4.857 1.00 0.00 N ATOM 0 H GLN B 558 -8.367 15.768 1.794 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.244 15.212 3.490 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.335 13.493 1.228 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.453 12.918 2.629 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.530 14.322 3.797 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.294 13.671 2.361 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.702 13.012 5.221 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -9.406 11.276 5.360 1.00 0.00 H new ATOM 551 N LYS B 559 -5.360 14.907 0.310 1.00 0.00 N ATOM 552 CA LYS B 559 -4.217 14.947 -0.594 1.00 0.00 C ATOM 553 C LYS B 559 -3.538 16.312 -0.552 1.00 0.00 C ATOM 554 O LYS B 559 -2.319 16.413 -0.689 1.00 0.00 O ATOM 555 CB LYS B 559 -4.661 14.630 -2.024 1.00 0.00 C ATOM 556 CG LYS B 559 -5.711 15.587 -2.561 1.00 0.00 C ATOM 557 CD LYS B 559 -6.123 15.225 -3.978 1.00 0.00 C ATOM 558 CE LYS B 559 -6.731 13.832 -4.044 1.00 0.00 C ATOM 559 NZ LYS B 559 -7.267 13.523 -5.398 1.00 0.00 N ATOM 0 H LYS B 559 -6.249 14.697 -0.144 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.500 14.194 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -3.790 14.654 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.056 13.615 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.586 15.570 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.320 16.604 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -6.844 15.955 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -5.254 15.275 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -5.976 13.093 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -7.532 13.750 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -7.672 12.565 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -8.006 14.212 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -6.498 13.575 -6.096 1.00 0.00 H new ATOM 573 N GLN B 560 -4.334 17.359 -0.361 1.00 0.00 N ATOM 574 CA GLN B 560 -3.808 18.717 -0.301 1.00 0.00 C ATOM 575 C GLN B 560 -2.864 18.883 0.886 1.00 0.00 C ATOM 576 O GLN B 560 -1.666 19.101 0.711 1.00 0.00 O ATOM 577 CB GLN B 560 -4.954 19.726 -0.201 1.00 0.00 C ATOM 578 CG GLN B 560 -5.874 19.723 -1.411 1.00 0.00 C ATOM 579 CD GLN B 560 -7.217 20.366 -1.124 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.301 21.360 -0.404 1.00 0.00 O ATOM 581 NE2 GLN B 560 -8.277 19.799 -1.689 1.00 0.00 N ATOM 0 H GLN B 560 -5.345 17.293 -0.245 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.247 18.904 -1.217 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.541 19.510 0.692 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.537 20.725 -0.074 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.390 20.252 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -6.030 18.696 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -8.161 18.975 -2.279 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -9.207 20.187 -1.533 1.00 0.00 H new ATOM 590 N MET B 561 -3.413 18.779 2.091 1.00 0.00 N ATOM 591 CA MET B 561 -2.619 18.917 3.307 1.00 0.00 C ATOM 592 C MET B 561 -1.499 17.882 3.345 1.00 0.00 C ATOM 593 O MET B 561 -0.322 18.229 3.442 1.00 0.00 O ATOM 594 CB MET B 561 -3.509 18.769 4.542 1.00 0.00 C ATOM 595 CG MET B 561 -4.696 19.718 4.554 1.00 0.00 C ATOM 596 SD MET B 561 -5.828 19.399 5.921 1.00 0.00 S ATOM 597 CE MET B 561 -6.520 17.823 5.425 1.00 0.00 C ATOM 0 H MET B 561 -4.404 18.600 2.252 1.00 0.00 H new ATOM 0 HA MET B 561 -2.171 19.911 3.308 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.874 17.743 4.596 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.908 18.941 5.435 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.335 20.744 4.619 1.00 0.00 H new ATOM 0 HG3 MET B 561 -5.237 19.629 3.612 1.00 0.00 H new ATOM 0 HE1 MET B 561 -6.624 17.180 6.299 1.00 0.00 H new ATOM 0 HE2 MET B 561 -7.499 17.982 4.973 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.859 17.347 4.701 1.00 0.00 H new ATOM 607 N LEU B 562 -1.874 16.609 3.268 1.00 0.00 N ATOM 608 CA LEU B 562 -0.900 15.523 3.293 1.00 0.00 C ATOM 609 C LEU B 562 0.213 15.765 2.279 1.00 0.00 C ATOM 610 O LEU B 562 1.384 15.873 2.641 1.00 0.00 O ATOM 611 CB LEU B 562 -1.589 14.188 3.004 1.00 0.00 C ATOM 612 CG LEU B 562 -0.696 12.948 3.051 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.469 11.754 3.590 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.133 12.643 1.671 1.00 0.00 C ATOM 0 H LEU B 562 -2.844 16.304 3.188 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.457 15.488 4.288 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.398 14.056 3.723 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.047 14.244 2.016 1.00 0.00 H new ATOM 0 HG LEU B 562 0.137 13.149 3.724 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.817 10.881 3.616 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.822 11.974 4.598 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.322 11.551 2.943 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.500 11.757 1.724 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -0.953 12.462 0.976 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.457 13.491 1.323 1.00 0.00 H new ATOM 626 N GLY B 563 -0.162 15.851 1.006 1.00 0.00 N ATOM 627 CA GLY B 563 0.816 16.082 -0.041 1.00 0.00 C ATOM 628 C GLY B 563 1.632 17.338 0.194 1.00 0.00 C ATOM 629 O GLY B 563 2.838 17.356 -0.051 1.00 0.00 O ATOM 0 H GLY B 563 -1.125 15.765 0.681 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.485 15.224 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.305 16.159 -1.001 1.00 0.00 H new ATOM 633 N GLU B 564 0.973 18.390 0.670 1.00 0.00 N ATOM 634 CA GLU B 564 1.645 19.656 0.935 1.00 0.00 C ATOM 635 C GLU B 564 2.779 19.469 1.940 1.00 0.00 C ATOM 636 O GLU B 564 3.894 19.948 1.729 1.00 0.00 O ATOM 637 CB GLU B 564 0.647 20.689 1.462 1.00 0.00 C ATOM 638 CG GLU B 564 -0.045 21.481 0.365 1.00 0.00 C ATOM 639 CD GLU B 564 -1.457 21.886 0.741 1.00 0.00 C ATOM 640 OE1 GLU B 564 -1.634 22.481 1.825 1.00 0.00 O ATOM 641 OE2 GLU B 564 -2.384 21.609 -0.048 1.00 0.00 O ATOM 0 H GLU B 564 -0.025 18.390 0.880 1.00 0.00 H new ATOM 0 HA GLU B 564 2.068 20.017 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU B 564 -0.107 20.180 2.062 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.168 21.380 2.124 1.00 0.00 H new ATOM 0 HG2 GLU B 564 0.539 22.375 0.144 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -0.073 20.884 -0.547 1.00 0.00 H new ATOM 648 N ARG B 565 2.485 18.772 3.032 1.00 0.00 N ATOM 649 CA ARG B 565 3.478 18.523 4.070 1.00 0.00 C ATOM 650 C ARG B 565 4.476 17.458 3.625 1.00 0.00 C ATOM 651 O ARG B 565 5.616 17.427 4.088 1.00 0.00 O ATOM 652 CB ARG B 565 2.793 18.086 5.366 1.00 0.00 C ATOM 653 CG ARG B 565 2.328 19.247 6.230 1.00 0.00 C ATOM 654 CD ARG B 565 0.871 19.591 5.964 1.00 0.00 C ATOM 655 NE ARG B 565 0.361 20.582 6.908 1.00 0.00 N ATOM 656 CZ ARG B 565 0.573 21.888 6.787 1.00 0.00 C ATOM 657 NH1 ARG B 565 1.279 22.357 5.768 1.00 0.00 N ATOM 658 NH2 ARG B 565 0.076 22.728 7.686 1.00 0.00 N ATOM 0 H ARG B 565 1.567 18.369 3.221 1.00 0.00 H new ATOM 0 HA ARG B 565 4.020 19.451 4.249 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.935 17.460 5.120 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.483 17.469 5.942 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.457 18.993 7.282 1.00 0.00 H new ATOM 0 HG3 ARG B 565 2.951 20.120 6.034 1.00 0.00 H new ATOM 0 HD2 ARG B 565 0.768 19.972 4.948 1.00 0.00 H new ATOM 0 HD3 ARG B 565 0.267 18.686 6.028 1.00 0.00 H new ATOM 0 HE ARG B 565 -0.187 20.254 7.703 1.00 0.00 H new ATOM 0 HH11 ARG B 565 1.661 21.715 5.074 1.00 0.00 H new ATOM 0 HH12 ARG B 565 1.440 23.360 5.678 1.00 0.00 H new ATOM 0 HH21 ARG B 565 -0.469 22.371 8.471 1.00 0.00 H new ATOM 0 HH22 ARG B 565 0.239 23.730 7.592 1.00 0.00 H new ATOM 672 N LEU B 566 4.038 16.585 2.723 1.00 0.00 N ATOM 673 CA LEU B 566 4.892 15.517 2.215 1.00 0.00 C ATOM 674 C LEU B 566 5.906 16.061 1.213 1.00 0.00 C ATOM 675 O LEU B 566 6.985 15.496 1.038 1.00 0.00 O ATOM 676 CB LEU B 566 4.043 14.427 1.559 1.00 0.00 C ATOM 677 CG LEU B 566 3.984 13.088 2.295 1.00 0.00 C ATOM 678 CD1 LEU B 566 2.901 13.112 3.362 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.743 11.951 1.313 1.00 0.00 C ATOM 0 H LEU B 566 3.097 16.596 2.329 1.00 0.00 H new ATOM 0 HA LEU B 566 5.435 15.088 3.057 1.00 0.00 H new ATOM 0 HB2 LEU B 566 3.026 14.803 1.449 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.428 14.250 0.555 1.00 0.00 H new ATOM 0 HG LEU B 566 4.943 12.922 2.785 1.00 0.00 H new ATOM 0 HD11 LEU B 566 2.874 12.151 3.875 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.117 13.901 4.082 1.00 0.00 H new ATOM 0 HD13 LEU B 566 1.934 13.301 2.895 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.704 11.005 1.854 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.798 12.112 0.795 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.555 11.920 0.586 1.00 0.00 H new ATOM 691 N PHE B 567 5.551 17.162 0.559 1.00 0.00 N ATOM 692 CA PHE B 567 6.430 17.783 -0.425 1.00 0.00 C ATOM 693 C PHE B 567 7.832 17.979 0.145 1.00 0.00 C ATOM 694 O PHE B 567 8.823 17.481 -0.390 1.00 0.00 O ATOM 695 CB PHE B 567 5.858 19.129 -0.874 1.00 0.00 C ATOM 696 CG PHE B 567 5.761 19.271 -2.366 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.892 19.172 -3.160 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.538 19.503 -2.975 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.806 19.304 -4.533 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.445 19.635 -4.348 1.00 0.00 C ATOM 701 CZ PHE B 567 5.581 19.534 -5.128 1.00 0.00 C ATOM 0 H PHE B 567 4.661 17.642 0.693 1.00 0.00 H new ATOM 0 HA PHE B 567 6.496 17.118 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.866 19.256 -0.440 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.484 19.930 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.852 18.990 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE B 567 3.647 19.582 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.696 19.227 -5.140 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.486 19.817 -4.810 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.511 19.635 -6.201 1.00 0.00 H new ATOM 711 N PRO B 568 7.920 18.722 1.258 1.00 0.00 N ATOM 712 CA PRO B 568 9.194 19.002 1.926 1.00 0.00 C ATOM 713 C PRO B 568 9.785 17.762 2.590 1.00 0.00 C ATOM 714 O PRO B 568 10.995 17.537 2.543 1.00 0.00 O ATOM 715 CB PRO B 568 8.821 20.047 2.980 1.00 0.00 C ATOM 716 CG PRO B 568 7.375 19.812 3.251 1.00 0.00 C ATOM 717 CD PRO B 568 6.780 19.347 1.951 1.00 0.00 C ATOM 0 HA PRO B 568 9.957 19.339 1.224 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.418 19.928 3.884 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.996 21.059 2.614 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.241 19.063 4.031 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.890 20.724 3.598 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.969 18.637 2.112 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.368 20.177 1.378 1.00 0.00 H new ATOM 725 N LEU B 569 8.924 16.961 3.208 1.00 0.00 N ATOM 726 CA LEU B 569 9.360 15.743 3.881 1.00 0.00 C ATOM 727 C LEU B 569 10.168 14.858 2.938 1.00 0.00 C ATOM 728 O LEU B 569 11.140 14.222 3.347 1.00 0.00 O ATOM 729 CB LEU B 569 8.152 14.970 4.414 1.00 0.00 C ATOM 730 CG LEU B 569 8.402 14.101 5.646 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.405 13.002 5.331 1.00 0.00 C ATOM 732 CD2 LEU B 569 8.888 14.952 6.810 1.00 0.00 C ATOM 0 H LEU B 569 7.920 17.133 3.257 1.00 0.00 H new ATOM 0 HA LEU B 569 9.998 16.029 4.717 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.365 15.685 4.652 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.773 14.333 3.615 1.00 0.00 H new ATOM 0 HG LEU B 569 7.460 13.633 5.933 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.570 12.394 6.221 1.00 0.00 H new ATOM 0 HD12 LEU B 569 9.017 12.374 4.529 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.348 13.449 5.017 1.00 0.00 H new ATOM 0 HD21 LEU B 569 9.061 14.316 7.678 1.00 0.00 H new ATOM 0 HD22 LEU B 569 9.818 15.449 6.534 1.00 0.00 H new ATOM 0 HD23 LEU B 569 8.134 15.701 7.053 1.00 0.00 H new ATOM 744 N ILE B 570 9.762 14.825 1.673 1.00 0.00 N ATOM 745 CA ILE B 570 10.451 14.021 0.671 1.00 0.00 C ATOM 746 C ILE B 570 11.764 14.673 0.251 1.00 0.00 C ATOM 747 O ILE B 570 12.744 13.987 -0.037 1.00 0.00 O ATOM 748 CB ILE B 570 9.575 13.807 -0.578 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.376 12.918 -0.240 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.396 13.193 -1.702 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.311 12.906 -1.314 1.00 0.00 C ATOM 0 H ILE B 570 8.960 15.345 1.318 1.00 0.00 H new ATOM 0 HA ILE B 570 10.658 13.054 1.130 1.00 0.00 H new ATOM 0 HB ILE B 570 9.203 14.775 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.725 11.899 -0.074 1.00 0.00 H new ATOM 0 HG13 ILE B 570 7.933 13.259 0.696 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.763 13.048 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.220 13.859 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.794 12.231 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.492 12.256 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.934 13.918 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.738 12.536 -2.246 1.00 0.00 H new ATOM 763 N GLN B 571 11.776 16.002 0.221 1.00 0.00 N ATOM 764 CA GLN B 571 12.969 16.746 -0.163 1.00 0.00 C ATOM 765 C GLN B 571 14.143 16.399 0.746 1.00 0.00 C ATOM 766 O GLN B 571 15.302 16.610 0.389 1.00 0.00 O ATOM 767 CB GLN B 571 12.697 18.251 -0.111 1.00 0.00 C ATOM 768 CG GLN B 571 11.679 18.720 -1.138 1.00 0.00 C ATOM 769 CD GLN B 571 11.132 20.100 -0.828 1.00 0.00 C ATOM 770 OE1 GLN B 571 11.686 20.830 -0.006 1.00 0.00 O ATOM 771 NE2 GLN B 571 10.037 20.464 -1.486 1.00 0.00 N ATOM 0 H GLN B 571 10.973 16.585 0.458 1.00 0.00 H new ATOM 0 HA GLN B 571 13.228 16.466 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.343 18.514 0.886 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.633 18.787 -0.268 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.142 18.730 -2.125 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.855 18.007 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN B 571 9.611 19.827 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN B 571 9.622 21.381 -1.318 1.00 0.00 H new ATOM 780 N ALA B 572 13.836 15.865 1.924 1.00 0.00 N ATOM 781 CA ALA B 572 14.865 15.486 2.884 1.00 0.00 C ATOM 782 C ALA B 572 15.921 14.598 2.234 1.00 0.00 C ATOM 783 O ALA B 572 17.087 14.614 2.629 1.00 0.00 O ATOM 784 CB ALA B 572 14.240 14.780 4.077 1.00 0.00 C ATOM 0 H ALA B 572 12.882 15.685 2.236 1.00 0.00 H new ATOM 0 HA ALA B 572 15.356 16.395 3.231 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.020 14.503 4.786 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.529 15.448 4.563 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.722 13.883 3.738 1.00 0.00 H new ATOM 790 N MET B 573 15.505 13.825 1.237 1.00 0.00 N ATOM 791 CA MET B 573 16.416 12.930 0.533 1.00 0.00 C ATOM 792 C MET B 573 16.431 13.235 -0.962 1.00 0.00 C ATOM 793 O MET B 573 17.475 13.161 -1.610 1.00 0.00 O ATOM 794 CB MET B 573 16.014 11.472 0.764 1.00 0.00 C ATOM 795 CG MET B 573 14.554 11.188 0.451 1.00 0.00 C ATOM 796 SD MET B 573 13.700 10.364 1.809 1.00 0.00 S ATOM 797 CE MET B 573 12.525 11.628 2.286 1.00 0.00 C ATOM 0 H MET B 573 14.543 13.800 0.898 1.00 0.00 H new ATOM 0 HA MET B 573 17.419 13.089 0.929 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.641 10.829 0.147 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.212 11.209 1.803 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.046 12.125 0.223 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.492 10.567 -0.442 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.432 11.647 3.372 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.873 12.599 1.934 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.554 11.408 1.843 1.00 0.00 H new ATOM 807 N HIS B 574 15.266 13.576 -1.503 1.00 0.00 N ATOM 808 CA HIS B 574 15.145 13.893 -2.922 1.00 0.00 C ATOM 809 C HIS B 574 14.501 15.261 -3.120 1.00 0.00 C ATOM 810 O HIS B 574 13.340 15.377 -3.512 1.00 0.00 O ATOM 811 CB HIS B 574 14.323 12.820 -3.636 1.00 0.00 C ATOM 812 CG HIS B 574 15.157 11.761 -4.289 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.801 11.947 -5.494 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.451 10.500 -3.897 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.455 10.845 -5.815 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.259 9.952 -4.863 1.00 0.00 N ATOM 0 H HIS B 574 14.392 13.640 -0.981 1.00 0.00 H new ATOM 0 HA HIS B 574 16.147 13.918 -3.351 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.652 12.350 -2.917 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.698 13.296 -4.392 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.113 10.015 -2.993 1.00 0.00 H new ATOM 0 HE1 HIS B 574 17.049 10.699 -6.705 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.645 9.008 -4.847 1.00 0.00 H new ATOM 824 N PRO B 575 15.272 16.324 -2.843 1.00 0.00 N ATOM 825 CA PRO B 575 14.797 17.704 -2.984 1.00 0.00 C ATOM 826 C PRO B 575 14.601 18.103 -4.443 1.00 0.00 C ATOM 827 O PRO B 575 14.071 19.175 -4.738 1.00 0.00 O ATOM 828 CB PRO B 575 15.918 18.531 -2.350 1.00 0.00 C ATOM 829 CG PRO B 575 17.136 17.684 -2.484 1.00 0.00 C ATOM 830 CD PRO B 575 16.665 16.260 -2.372 1.00 0.00 C ATOM 0 HA PRO B 575 13.824 17.850 -2.516 1.00 0.00 H new ATOM 0 HB2 PRO B 575 16.042 19.486 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.703 18.753 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.629 17.858 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.861 17.918 -1.705 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.266 15.588 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.726 15.896 -1.346 1.00 0.00 H new ATOM 838 N THR B 576 15.030 17.234 -5.353 1.00 0.00 N ATOM 839 CA THR B 576 14.902 17.497 -6.780 1.00 0.00 C ATOM 840 C THR B 576 13.638 16.858 -7.345 1.00 0.00 C ATOM 841 O THR B 576 12.794 17.539 -7.930 1.00 0.00 O ATOM 842 CB THR B 576 16.122 16.970 -7.560 1.00 0.00 C ATOM 843 OG1 THR B 576 16.547 15.716 -7.016 1.00 0.00 O ATOM 844 CG2 THR B 576 17.270 17.967 -7.506 1.00 0.00 C ATOM 0 H THR B 576 15.469 16.342 -5.126 1.00 0.00 H new ATOM 0 HA THR B 576 14.844 18.579 -6.898 1.00 0.00 H new ATOM 0 HB THR B 576 15.829 16.833 -8.601 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.322 15.387 -7.518 1.00 0.00 H new ATOM 0 HG21 THR B 576 18.120 17.574 -8.063 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.953 18.912 -7.947 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.561 18.131 -6.468 1.00 0.00 H new ATOM 852 N LEU B 577 13.513 15.548 -7.168 1.00 0.00 N ATOM 853 CA LEU B 577 12.350 14.817 -7.660 1.00 0.00 C ATOM 854 C LEU B 577 11.253 14.762 -6.601 1.00 0.00 C ATOM 855 O LEU B 577 10.284 14.016 -6.736 1.00 0.00 O ATOM 856 CB LEU B 577 12.750 13.399 -8.070 1.00 0.00 C ATOM 857 CG LEU B 577 13.717 13.289 -9.250 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.270 14.188 -10.391 1.00 0.00 C ATOM 859 CD2 LEU B 577 15.132 13.639 -8.815 1.00 0.00 C ATOM 0 H LEU B 577 14.202 14.970 -6.688 1.00 0.00 H new ATOM 0 HA LEU B 577 11.962 15.345 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU B 577 13.202 12.907 -7.209 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.844 12.844 -8.315 1.00 0.00 H new ATOM 0 HG LEU B 577 13.713 12.258 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.970 14.097 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.275 13.890 -10.721 1.00 0.00 H new ATOM 0 HD13 LEU B 577 13.244 15.223 -10.050 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.806 13.555 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU B 577 15.154 14.660 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.452 12.953 -8.031 1.00 0.00 H new ATOM 871 N ALA B 578 11.413 15.558 -5.549 1.00 0.00 N ATOM 872 CA ALA B 578 10.435 15.603 -4.470 1.00 0.00 C ATOM 873 C ALA B 578 9.021 15.764 -5.017 1.00 0.00 C ATOM 874 O ALA B 578 8.062 15.241 -4.450 1.00 0.00 O ATOM 875 CB ALA B 578 10.762 16.736 -3.508 1.00 0.00 C ATOM 0 H ALA B 578 12.211 16.180 -5.421 1.00 0.00 H new ATOM 0 HA ALA B 578 10.483 14.657 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA B 578 10.023 16.758 -2.707 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.753 16.578 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.744 17.685 -4.044 1.00 0.00 H new ATOM 881 N GLY B 579 8.898 16.493 -6.122 1.00 0.00 N ATOM 882 CA GLY B 579 7.596 16.710 -6.727 1.00 0.00 C ATOM 883 C GLY B 579 6.956 15.421 -7.203 1.00 0.00 C ATOM 884 O GLY B 579 5.997 14.936 -6.603 1.00 0.00 O ATOM 0 H GLY B 579 9.676 16.937 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.939 17.193 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.700 17.393 -7.570 1.00 0.00 H new ATOM 888 N LYS B 580 7.486 14.865 -8.288 1.00 0.00 N ATOM 889 CA LYS B 580 6.960 13.625 -8.846 1.00 0.00 C ATOM 890 C LYS B 580 6.801 12.564 -7.762 1.00 0.00 C ATOM 891 O LYS B 580 5.809 11.835 -7.735 1.00 0.00 O ATOM 892 CB LYS B 580 7.885 13.107 -9.950 1.00 0.00 C ATOM 893 CG LYS B 580 7.152 12.693 -11.214 1.00 0.00 C ATOM 894 CD LYS B 580 6.513 13.887 -11.904 1.00 0.00 C ATOM 895 CE LYS B 580 7.149 14.153 -13.259 1.00 0.00 C ATOM 896 NZ LYS B 580 6.475 15.270 -13.979 1.00 0.00 N ATOM 0 H LYS B 580 8.279 15.254 -8.798 1.00 0.00 H new ATOM 0 HA LYS B 580 5.978 13.834 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS B 580 8.610 13.882 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS B 580 8.447 12.254 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS B 580 7.849 12.207 -11.897 1.00 0.00 H new ATOM 0 HG3 LYS B 580 6.384 11.960 -10.967 1.00 0.00 H new ATOM 0 HD2 LYS B 580 5.445 13.707 -12.031 1.00 0.00 H new ATOM 0 HD3 LYS B 580 6.614 14.770 -11.273 1.00 0.00 H new ATOM 0 HE2 LYS B 580 8.204 14.392 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS B 580 7.102 13.249 -13.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 6.938 15.420 -14.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 5.474 15.032 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 6.542 16.139 -13.412 1.00 0.00 H new ATOM 910 N ILE B 581 7.782 12.486 -6.869 1.00 0.00 N ATOM 911 CA ILE B 581 7.748 11.516 -5.781 1.00 0.00 C ATOM 912 C ILE B 581 6.466 11.648 -4.967 1.00 0.00 C ATOM 913 O ILE B 581 5.678 10.707 -4.870 1.00 0.00 O ATOM 914 CB ILE B 581 8.958 11.680 -4.843 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.256 11.371 -5.591 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.812 10.776 -3.628 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.479 12.007 -4.968 1.00 0.00 C ATOM 0 H ILE B 581 8.610 13.082 -6.877 1.00 0.00 H new ATOM 0 HA ILE B 581 7.785 10.527 -6.238 1.00 0.00 H new ATOM 0 HB ILE B 581 8.996 12.714 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.397 10.291 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.163 11.715 -6.621 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.675 10.903 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.904 11.039 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.752 9.737 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.362 11.745 -5.551 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.360 13.090 -4.957 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.598 11.644 -3.947 1.00 0.00 H new ATOM 929 N THR B 582 6.261 12.825 -4.382 1.00 0.00 N ATOM 930 CA THR B 582 5.074 13.082 -3.576 1.00 0.00 C ATOM 931 C THR B 582 3.802 12.870 -4.388 1.00 0.00 C ATOM 932 O THR B 582 2.764 12.490 -3.847 1.00 0.00 O ATOM 933 CB THR B 582 5.077 14.515 -3.013 1.00 0.00 C ATOM 934 OG1 THR B 582 4.542 14.521 -1.685 1.00 0.00 O ATOM 935 CG2 THR B 582 4.262 15.446 -3.898 1.00 0.00 C ATOM 0 H THR B 582 6.902 13.615 -4.452 1.00 0.00 H new ATOM 0 HA THR B 582 5.095 12.374 -2.747 1.00 0.00 H new ATOM 0 HB THR B 582 6.107 14.871 -2.991 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.831 15.334 -1.220 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.279 16.453 -3.480 1.00 0.00 H new ATOM 0 HG22 THR B 582 4.690 15.462 -4.900 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.233 15.091 -3.949 1.00 0.00 H new ATOM 943 N GLY B 583 3.888 13.118 -5.692 1.00 0.00 N ATOM 944 CA GLY B 583 2.736 12.948 -6.558 1.00 0.00 C ATOM 945 C GLY B 583 2.259 11.510 -6.611 1.00 0.00 C ATOM 946 O GLY B 583 1.118 11.214 -6.256 1.00 0.00 O ATOM 0 H GLY B 583 4.735 13.434 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.924 13.584 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.989 13.281 -7.564 1.00 0.00 H new ATOM 950 N MET B 584 3.133 10.614 -7.058 1.00 0.00 N ATOM 951 CA MET B 584 2.793 9.199 -7.158 1.00 0.00 C ATOM 952 C MET B 584 2.484 8.616 -5.783 1.00 0.00 C ATOM 953 O MET B 584 1.523 7.863 -5.618 1.00 0.00 O ATOM 954 CB MET B 584 3.939 8.422 -7.808 1.00 0.00 C ATOM 955 CG MET B 584 4.382 8.997 -9.144 1.00 0.00 C ATOM 956 SD MET B 584 6.001 8.391 -9.658 1.00 0.00 S ATOM 957 CE MET B 584 7.068 9.262 -8.513 1.00 0.00 C ATOM 0 H MET B 584 4.081 10.842 -7.357 1.00 0.00 H new ATOM 0 HA MET B 584 1.903 9.108 -7.780 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.790 8.409 -7.127 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.630 7.387 -7.952 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.645 8.744 -9.906 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.410 10.084 -9.076 1.00 0.00 H new ATOM 0 HE1 MET B 584 8.010 8.723 -8.411 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.264 10.266 -8.890 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.581 9.328 -7.540 1.00 0.00 H new ATOM 967 N LEU B 585 3.303 8.969 -4.798 1.00 0.00 N ATOM 968 CA LEU B 585 3.117 8.480 -3.436 1.00 0.00 C ATOM 969 C LEU B 585 1.774 8.936 -2.873 1.00 0.00 C ATOM 970 O LEU B 585 1.167 8.246 -2.052 1.00 0.00 O ATOM 971 CB LEU B 585 4.252 8.972 -2.537 1.00 0.00 C ATOM 972 CG LEU B 585 5.477 8.061 -2.444 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.963 7.677 -3.833 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.589 8.740 -1.657 1.00 0.00 C ATOM 0 H LEU B 585 4.102 9.592 -4.917 1.00 0.00 H new ATOM 0 HA LEU B 585 3.129 7.390 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.577 9.948 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.856 9.118 -1.532 1.00 0.00 H new ATOM 0 HG LEU B 585 5.190 7.151 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.835 7.029 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU B 585 5.170 7.150 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.233 8.577 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.452 8.077 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.874 9.666 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU B 585 6.238 8.964 -0.650 1.00 0.00 H new ATOM 986 N LEU B 586 1.315 10.099 -3.320 1.00 0.00 N ATOM 987 CA LEU B 586 0.042 10.646 -2.863 1.00 0.00 C ATOM 988 C LEU B 586 -1.124 10.015 -3.617 1.00 0.00 C ATOM 989 O LEU B 586 -2.265 10.053 -3.158 1.00 0.00 O ATOM 990 CB LEU B 586 0.021 12.164 -3.047 1.00 0.00 C ATOM 991 CG LEU B 586 -1.286 12.867 -2.680 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.014 14.284 -2.199 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.237 12.879 -3.869 1.00 0.00 C ATOM 0 H LEU B 586 1.805 10.682 -3.999 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.066 10.413 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.822 12.594 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.250 12.387 -4.089 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.758 12.314 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -1.956 14.768 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.371 14.253 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.520 14.848 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.162 13.383 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.772 13.408 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.458 11.855 -4.168 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.828 9.432 -4.775 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.853 8.792 -5.591 1.00 0.00 C ATOM 1007 C GLU B 587 -2.228 7.427 -5.020 1.00 0.00 C ATOM 1008 O GLU B 587 -3.391 7.172 -4.708 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.365 8.637 -7.033 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.476 8.732 -8.064 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.821 7.387 -8.675 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -1.889 6.604 -8.951 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -4.024 7.119 -8.877 1.00 0.00 O ATOM 0 H GLU B 587 0.112 9.390 -5.168 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.739 9.427 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -0.621 9.406 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.865 7.674 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.366 9.153 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -2.175 9.420 -8.854 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.235 6.554 -4.888 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.460 5.216 -4.356 1.00 0.00 C ATOM 1022 C ILE B 588 -2.554 5.224 -3.294 1.00 0.00 C ATOM 1023 O ILE B 588 -3.596 4.588 -3.457 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.173 4.629 -3.746 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.766 5.753 -3.303 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.519 3.717 -4.747 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.753 5.331 -2.237 1.00 0.00 C ATOM 0 H ILE B 588 -0.267 6.750 -5.142 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.773 4.592 -5.193 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.440 4.038 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.315 6.120 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.171 6.585 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.427 3.310 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.150 2.900 -5.018 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.777 4.286 -5.640 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.386 6.178 -1.972 1.00 0.00 H new ATOM 0 HD12 ILE B 588 1.212 4.992 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.373 4.519 -2.616 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.312 5.950 -2.208 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.279 6.044 -1.120 1.00 0.00 C ATOM 1041 C ASP B 589 -2.703 6.832 0.052 1.00 0.00 C ATOM 1042 O ASP B 589 -1.765 6.385 0.711 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.695 4.647 -0.657 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.129 4.319 -1.021 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -5.975 5.238 -0.986 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.407 3.144 -1.341 1.00 0.00 O ATOM 0 H ASP B 589 -1.455 6.482 -2.058 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.158 6.571 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.031 3.907 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.572 4.574 0.424 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.270 8.006 0.305 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.812 8.858 1.397 1.00 0.00 C ATOM 1053 C ASN B 590 -2.751 8.077 2.707 1.00 0.00 C ATOM 1054 O ASN B 590 -1.750 8.120 3.422 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.737 10.066 1.553 1.00 0.00 C ATOM 1056 CG ASN B 590 -3.486 11.127 0.499 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -2.340 11.410 0.148 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -4.559 11.719 -0.012 1.00 0.00 N ATOM 0 H ASN B 590 -4.048 8.390 -0.231 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.808 9.207 1.155 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.774 9.736 1.493 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.598 10.501 2.543 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -4.452 12.440 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.490 11.453 0.309 1.00 0.00 H new ATOM 1065 N SER B 591 -3.830 7.363 3.014 1.00 0.00 N ATOM 1066 CA SER B 591 -3.901 6.575 4.239 1.00 0.00 C ATOM 1067 C SER B 591 -2.676 5.677 4.379 1.00 0.00 C ATOM 1068 O SER B 591 -2.117 5.538 5.467 1.00 0.00 O ATOM 1069 CB SER B 591 -5.174 5.726 4.251 1.00 0.00 C ATOM 1070 OG SER B 591 -6.138 6.265 5.138 1.00 0.00 O ATOM 0 H SER B 591 -4.666 7.314 2.432 1.00 0.00 H new ATOM 0 HA SER B 591 -3.924 7.263 5.084 1.00 0.00 H new ATOM 0 HB2 SER B 591 -5.590 5.674 3.245 1.00 0.00 H new ATOM 0 HB3 SER B 591 -4.932 4.706 4.549 1.00 0.00 H new ATOM 0 HG SER B 591 -6.942 5.705 5.126 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.264 5.071 3.270 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.105 4.185 3.270 1.00 0.00 C ATOM 1078 C GLU B 592 0.161 4.946 3.654 1.00 0.00 C ATOM 1079 O GLU B 592 1.050 4.402 4.309 1.00 0.00 O ATOM 1080 CB GLU B 592 -0.929 3.541 1.893 1.00 0.00 C ATOM 1081 CG GLU B 592 0.065 2.392 1.882 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.410 1.218 1.048 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -0.705 1.419 -0.148 1.00 0.00 O ATOM 1084 OE2 GLU B 592 -0.487 0.096 1.593 1.00 0.00 O ATOM 0 H GLU B 592 -2.715 5.177 2.361 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.276 3.403 4.010 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -1.896 3.177 1.545 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.600 4.302 1.185 1.00 0.00 H new ATOM 0 HG2 GLU B 592 1.020 2.746 1.493 1.00 0.00 H new ATOM 0 HG3 GLU B 592 0.241 2.059 2.905 1.00 0.00 H new ATOM 1091 N LEU B 593 0.235 6.206 3.241 1.00 0.00 N ATOM 1092 CA LEU B 593 1.392 7.043 3.541 1.00 0.00 C ATOM 1093 C LEU B 593 1.432 7.405 5.022 1.00 0.00 C ATOM 1094 O LEU B 593 2.501 7.441 5.634 1.00 0.00 O ATOM 1095 CB LEU B 593 1.358 8.316 2.693 1.00 0.00 C ATOM 1096 CG LEU B 593 0.741 8.179 1.301 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.856 9.488 0.535 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.406 7.048 0.531 1.00 0.00 C ATOM 0 H LEU B 593 -0.492 6.671 2.697 1.00 0.00 H new ATOM 0 HA LEU B 593 2.292 6.477 3.300 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.804 9.079 3.241 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.379 8.682 2.582 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.316 7.940 1.416 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.412 9.371 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.332 10.275 1.078 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.907 9.757 0.431 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.954 6.966 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.471 7.256 0.427 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.270 6.111 1.071 1.00 0.00 H new ATOM 1110 N LEU B 594 0.263 7.671 5.593 1.00 0.00 N ATOM 1111 CA LEU B 594 0.164 8.028 7.004 1.00 0.00 C ATOM 1112 C LEU B 594 0.686 6.901 7.889 1.00 0.00 C ATOM 1113 O LEU B 594 1.002 7.113 9.060 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.287 8.348 7.369 1.00 0.00 C ATOM 1115 CG LEU B 594 -1.775 9.753 7.012 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.270 9.878 7.261 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -1.010 10.801 7.806 1.00 0.00 C ATOM 0 H LEU B 594 -0.630 7.646 5.101 1.00 0.00 H new ATOM 0 HA LEU B 594 0.778 8.912 7.173 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -1.933 7.624 6.873 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.411 8.204 8.442 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.589 9.923 5.952 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.599 10.884 7.001 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -3.803 9.152 6.647 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.481 9.687 8.313 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.370 11.794 7.539 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.164 10.634 8.872 1.00 0.00 H new ATOM 0 HD23 LEU B 594 0.053 10.727 7.577 1.00 0.00 H new ATOM 1129 N HIS B 595 0.777 5.703 7.321 1.00 0.00 N ATOM 1130 CA HIS B 595 1.264 4.542 8.057 1.00 0.00 C ATOM 1131 C HIS B 595 2.648 4.128 7.566 1.00 0.00 C ATOM 1132 O HIS B 595 3.415 3.502 8.297 1.00 0.00 O ATOM 1133 CB HIS B 595 0.288 3.374 7.914 1.00 0.00 C ATOM 1134 CG HIS B 595 0.160 2.544 9.154 1.00 0.00 C ATOM 1135 ND1 HIS B 595 1.247 2.058 9.850 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.935 2.116 9.824 1.00 0.00 C ATOM 1137 CE1 HIS B 595 0.825 1.366 10.893 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.495 1.386 10.900 1.00 0.00 N ATOM 0 H HIS B 595 0.520 5.511 6.353 1.00 0.00 H new ATOM 0 HA HIS B 595 1.339 4.816 9.109 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -0.694 3.763 7.644 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.615 2.737 7.092 1.00 0.00 H new ATOM 0 HD1 HIS B 595 2.224 2.209 9.599 1.00 0.00 H new ATOM 0 HD2 HIS B 595 -1.964 2.312 9.561 1.00 0.00 H new ATOM 0 HE1 HIS B 595 1.453 0.868 11.617 1.00 0.00 H new ATOM 1146 N MET B 596 2.959 4.481 6.323 1.00 0.00 N ATOM 1147 CA MET B 596 4.250 4.146 5.734 1.00 0.00 C ATOM 1148 C MET B 596 5.341 5.079 6.249 1.00 0.00 C ATOM 1149 O MET B 596 6.450 4.643 6.560 1.00 0.00 O ATOM 1150 CB MET B 596 4.175 4.223 4.208 1.00 0.00 C ATOM 1151 CG MET B 596 3.823 2.900 3.549 1.00 0.00 C ATOM 1152 SD MET B 596 4.144 2.900 1.774 1.00 0.00 S ATOM 1153 CE MET B 596 3.441 4.479 1.304 1.00 0.00 C ATOM 0 H MET B 596 2.335 4.999 5.704 1.00 0.00 H new ATOM 0 HA MET B 596 4.501 3.126 6.027 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.432 4.969 3.926 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.134 4.568 3.822 1.00 0.00 H new ATOM 0 HG2 MET B 596 4.397 2.101 4.018 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.770 2.681 3.724 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.318 4.515 0.222 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.470 4.602 1.784 1.00 0.00 H new ATOM 0 HE3 MET B 596 4.107 5.282 1.620 1.00 0.00 H new ATOM 1163 N LEU B 597 5.020 6.365 6.337 1.00 0.00 N ATOM 1164 CA LEU B 597 5.973 7.361 6.814 1.00 0.00 C ATOM 1165 C LEU B 597 6.380 7.077 8.257 1.00 0.00 C ATOM 1166 O LEU B 597 7.365 7.625 8.752 1.00 0.00 O ATOM 1167 CB LEU B 597 5.371 8.763 6.709 1.00 0.00 C ATOM 1168 CG LEU B 597 4.591 9.253 7.930 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.601 8.195 8.390 1.00 0.00 C ATOM 1170 CD2 LEU B 597 5.544 9.621 9.059 1.00 0.00 C ATOM 0 H LEU B 597 4.107 6.743 6.084 1.00 0.00 H new ATOM 0 HA LEU B 597 6.863 7.307 6.187 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.178 9.469 6.511 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.707 8.788 5.845 1.00 0.00 H new ATOM 0 HG LEU B 597 4.033 10.145 7.647 1.00 0.00 H new ATOM 0 HD11 LEU B 597 3.055 8.561 9.260 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.899 7.979 7.585 1.00 0.00 H new ATOM 0 HD13 LEU B 597 4.139 7.285 8.656 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.972 9.968 9.920 1.00 0.00 H new ATOM 0 HD22 LEU B 597 6.129 8.746 9.341 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.214 10.414 8.726 1.00 0.00 H new ATOM 1182 N GLU B 598 5.617 6.217 8.924 1.00 0.00 N ATOM 1183 CA GLU B 598 5.901 5.860 10.309 1.00 0.00 C ATOM 1184 C GLU B 598 7.176 5.026 10.406 1.00 0.00 C ATOM 1185 O GLU B 598 7.845 5.015 11.438 1.00 0.00 O ATOM 1186 CB GLU B 598 4.726 5.086 10.910 1.00 0.00 C ATOM 1187 CG GLU B 598 3.447 5.900 11.009 1.00 0.00 C ATOM 1188 CD GLU B 598 2.385 5.220 11.851 1.00 0.00 C ATOM 1189 OE1 GLU B 598 2.752 4.398 12.716 1.00 0.00 O ATOM 1190 OE2 GLU B 598 1.188 5.509 11.644 1.00 0.00 O ATOM 0 H GLU B 598 4.798 5.755 8.528 1.00 0.00 H new ATOM 0 HA GLU B 598 6.047 6.782 10.872 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.537 4.201 10.303 1.00 0.00 H new ATOM 0 HB3 GLU B 598 5.003 4.737 11.905 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.675 6.876 11.437 1.00 0.00 H new ATOM 0 HG3 GLU B 598 3.054 6.075 10.007 1.00 0.00 H new ATOM 1197 N SER B 599 7.504 4.330 9.322 1.00 0.00 N ATOM 1198 CA SER B 599 8.696 3.490 9.286 1.00 0.00 C ATOM 1199 C SER B 599 9.623 3.912 8.150 1.00 0.00 C ATOM 1200 O SER B 599 9.185 4.371 7.095 1.00 0.00 O ATOM 1201 CB SER B 599 8.305 2.020 9.121 1.00 0.00 C ATOM 1202 OG SER B 599 9.072 1.190 9.976 1.00 0.00 O ATOM 0 H SER B 599 6.962 4.331 8.458 1.00 0.00 H new ATOM 0 HA SER B 599 9.227 3.614 10.230 1.00 0.00 H new ATOM 0 HB2 SER B 599 7.245 1.895 9.342 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.452 1.715 8.085 1.00 0.00 H new ATOM 0 HG SER B 599 8.802 0.256 9.853 1.00 0.00 H new ATOM 1208 N PRO B 600 10.936 3.752 8.369 1.00 0.00 N ATOM 1209 CA PRO B 600 11.954 4.109 7.376 1.00 0.00 C ATOM 1210 C PRO B 600 11.942 3.174 6.172 1.00 0.00 C ATOM 1211 O PRO B 600 12.024 3.621 5.028 1.00 0.00 O ATOM 1212 CB PRO B 600 13.268 3.970 8.149 1.00 0.00 C ATOM 1213 CG PRO B 600 12.969 2.989 9.230 1.00 0.00 C ATOM 1214 CD PRO B 600 11.530 3.210 9.604 1.00 0.00 C ATOM 0 HA PRO B 600 11.790 5.105 6.964 1.00 0.00 H new ATOM 0 HB2 PRO B 600 14.072 3.615 7.504 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.589 4.927 8.560 1.00 0.00 H new ATOM 0 HG2 PRO B 600 13.130 1.968 8.885 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.623 3.143 10.088 1.00 0.00 H new ATOM 0 HD2 PRO B 600 11.047 2.282 9.909 1.00 0.00 H new ATOM 0 HD3 PRO B 600 11.434 3.907 10.436 1.00 0.00 H new ATOM 1222 N GLU B 601 11.839 1.876 6.438 1.00 0.00 N ATOM 1223 CA GLU B 601 11.817 0.879 5.374 1.00 0.00 C ATOM 1224 C GLU B 601 10.682 1.156 4.392 1.00 0.00 C ATOM 1225 O GLU B 601 10.730 0.735 3.236 1.00 0.00 O ATOM 1226 CB GLU B 601 11.665 -0.525 5.964 1.00 0.00 C ATOM 1227 CG GLU B 601 12.959 -1.096 6.518 1.00 0.00 C ATOM 1228 CD GLU B 601 14.070 -1.131 5.486 1.00 0.00 C ATOM 1229 OE1 GLU B 601 14.047 -2.032 4.621 1.00 0.00 O ATOM 1230 OE2 GLU B 601 14.962 -0.260 5.544 1.00 0.00 O ATOM 0 H GLU B 601 11.770 1.490 7.380 1.00 0.00 H new ATOM 0 HA GLU B 601 12.763 0.939 4.835 1.00 0.00 H new ATOM 0 HB2 GLU B 601 10.920 -0.497 6.759 1.00 0.00 H new ATOM 0 HB3 GLU B 601 11.283 -1.194 5.193 1.00 0.00 H new ATOM 0 HG2 GLU B 601 13.280 -0.498 7.371 1.00 0.00 H new ATOM 0 HG3 GLU B 601 12.778 -2.106 6.886 1.00 0.00 H new ATOM 1237 N SER B 602 9.661 1.865 4.862 1.00 0.00 N ATOM 1238 CA SER B 602 8.511 2.195 4.028 1.00 0.00 C ATOM 1239 C SER B 602 8.724 3.524 3.310 1.00 0.00 C ATOM 1240 O SER B 602 8.610 3.608 2.087 1.00 0.00 O ATOM 1241 CB SER B 602 7.240 2.258 4.877 1.00 0.00 C ATOM 1242 OG SER B 602 6.678 0.969 5.052 1.00 0.00 O ATOM 0 H SER B 602 9.606 2.222 5.816 1.00 0.00 H new ATOM 0 HA SER B 602 8.400 1.411 3.279 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.470 2.693 5.850 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.512 2.914 4.399 1.00 0.00 H new ATOM 0 HG SER B 602 5.868 1.037 5.599 1.00 0.00 H new ATOM 1248 N LEU B 603 9.033 4.562 4.080 1.00 0.00 N ATOM 1249 CA LEU B 603 9.262 5.889 3.519 1.00 0.00 C ATOM 1250 C LEU B 603 10.355 5.849 2.456 1.00 0.00 C ATOM 1251 O LEU B 603 10.114 6.165 1.291 1.00 0.00 O ATOM 1252 CB LEU B 603 9.647 6.872 4.626 1.00 0.00 C ATOM 1253 CG LEU B 603 9.921 8.309 4.182 1.00 0.00 C ATOM 1254 CD1 LEU B 603 11.353 8.451 3.689 1.00 0.00 C ATOM 1255 CD2 LEU B 603 8.938 8.729 3.099 1.00 0.00 C ATOM 0 H LEU B 603 9.131 4.510 5.094 1.00 0.00 H new ATOM 0 HA LEU B 603 8.337 6.223 3.050 1.00 0.00 H new ATOM 0 HB2 LEU B 603 8.846 6.888 5.365 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.537 6.492 5.128 1.00 0.00 H new ATOM 0 HG LEU B 603 9.787 8.967 5.041 1.00 0.00 H new ATOM 0 HD11 LEU B 603 11.530 9.480 3.377 1.00 0.00 H new ATOM 0 HD12 LEU B 603 12.042 8.192 4.493 1.00 0.00 H new ATOM 0 HD13 LEU B 603 11.515 7.783 2.843 1.00 0.00 H new ATOM 0 HD21 LEU B 603 9.148 9.755 2.795 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.040 8.067 2.239 1.00 0.00 H new ATOM 0 HD23 LEU B 603 7.921 8.666 3.486 1.00 0.00 H new ATOM 1267 N ARG B 604 11.558 5.458 2.865 1.00 0.00 N ATOM 1268 CA ARG B 604 12.688 5.376 1.948 1.00 0.00 C ATOM 1269 C ARG B 604 12.333 4.540 0.721 1.00 0.00 C ATOM 1270 O ARG B 604 12.610 4.934 -0.412 1.00 0.00 O ATOM 1271 CB ARG B 604 13.903 4.773 2.655 1.00 0.00 C ATOM 1272 CG ARG B 604 14.516 5.689 3.701 1.00 0.00 C ATOM 1273 CD ARG B 604 15.329 4.906 4.720 1.00 0.00 C ATOM 1274 NE ARG B 604 15.777 5.748 5.826 1.00 0.00 N ATOM 1275 CZ ARG B 604 16.644 5.347 6.750 1.00 0.00 C ATOM 1276 NH1 ARG B 604 17.154 4.125 6.699 1.00 0.00 N ATOM 1277 NH2 ARG B 604 17.003 6.171 7.726 1.00 0.00 N ATOM 0 H ARG B 604 11.775 5.193 3.826 1.00 0.00 H new ATOM 0 HA ARG B 604 12.932 6.386 1.620 1.00 0.00 H new ATOM 0 HB2 ARG B 604 13.608 3.838 3.131 1.00 0.00 H new ATOM 0 HB3 ARG B 604 14.661 4.527 1.911 1.00 0.00 H new ATOM 0 HG2 ARG B 604 15.155 6.425 3.212 1.00 0.00 H new ATOM 0 HG3 ARG B 604 13.726 6.241 4.211 1.00 0.00 H new ATOM 0 HD2 ARG B 604 14.727 4.085 5.110 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.195 4.462 4.229 1.00 0.00 H new ATOM 0 HE ARG B 604 15.404 6.695 5.893 1.00 0.00 H new ATOM 0 HH11 ARG B 604 16.881 3.489 5.949 1.00 0.00 H new ATOM 0 HH12 ARG B 604 17.819 3.820 7.410 1.00 0.00 H new ATOM 0 HH21 ARG B 604 16.614 7.113 7.767 1.00 0.00 H new ATOM 0 HH22 ARG B 604 17.668 5.863 8.435 1.00 0.00 H new ATOM 1291 N SER B 605 11.718 3.385 0.956 1.00 0.00 N ATOM 1292 CA SER B 605 11.329 2.492 -0.129 1.00 0.00 C ATOM 1293 C SER B 605 10.520 3.240 -1.184 1.00 0.00 C ATOM 1294 O SER B 605 10.828 3.185 -2.375 1.00 0.00 O ATOM 1295 CB SER B 605 10.516 1.317 0.416 1.00 0.00 C ATOM 1296 OG SER B 605 9.733 0.722 -0.604 1.00 0.00 O ATOM 0 H SER B 605 11.479 3.046 1.888 1.00 0.00 H new ATOM 0 HA SER B 605 12.237 2.110 -0.596 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.188 0.573 0.844 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.868 1.662 1.222 1.00 0.00 H new ATOM 0 HG SER B 605 9.224 -0.027 -0.230 1.00 0.00 H new ATOM 1302 N LYS B 606 9.481 3.939 -0.738 1.00 0.00 N ATOM 1303 CA LYS B 606 8.626 4.700 -1.641 1.00 0.00 C ATOM 1304 C LYS B 606 9.439 5.722 -2.429 1.00 0.00 C ATOM 1305 O LYS B 606 9.431 5.722 -3.660 1.00 0.00 O ATOM 1306 CB LYS B 606 7.521 5.408 -0.854 1.00 0.00 C ATOM 1307 CG LYS B 606 6.500 4.459 -0.251 1.00 0.00 C ATOM 1308 CD LYS B 606 5.832 3.608 -1.318 1.00 0.00 C ATOM 1309 CE LYS B 606 5.163 4.467 -2.379 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.486 3.641 -3.417 1.00 0.00 N ATOM 0 H LYS B 606 9.211 3.994 0.244 1.00 0.00 H new ATOM 0 HA LYS B 606 8.172 4.003 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS B 606 7.974 5.995 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS B 606 7.009 6.108 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS B 606 6.989 3.813 0.478 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.743 5.031 0.286 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.574 2.962 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS B 606 5.090 2.958 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.434 5.125 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.909 5.105 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 3.972 4.262 -4.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.197 3.094 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.816 2.990 -2.960 1.00 0.00 H new ATOM 1324 N VAL B 607 10.142 6.592 -1.711 1.00 0.00 N ATOM 1325 CA VAL B 607 10.963 7.618 -2.343 1.00 0.00 C ATOM 1326 C VAL B 607 11.877 7.015 -3.403 1.00 0.00 C ATOM 1327 O VAL B 607 11.904 7.472 -4.546 1.00 0.00 O ATOM 1328 CB VAL B 607 11.822 8.367 -1.306 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.721 9.385 -1.992 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.938 9.039 -0.267 1.00 0.00 C ATOM 0 H VAL B 607 10.159 6.607 -0.691 1.00 0.00 H new ATOM 0 HA VAL B 607 10.280 8.323 -2.816 1.00 0.00 H new ATOM 0 HB VAL B 607 12.457 7.643 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.320 9.904 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.380 8.874 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.108 10.107 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.562 9.563 0.457 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.276 9.752 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.342 8.285 0.246 1.00 0.00 H new ATOM 1340 N ASP B 608 12.623 5.986 -3.018 1.00 0.00 N ATOM 1341 CA ASP B 608 13.538 5.318 -3.936 1.00 0.00 C ATOM 1342 C ASP B 608 12.794 4.800 -5.163 1.00 0.00 C ATOM 1343 O ASP B 608 13.148 5.122 -6.296 1.00 0.00 O ATOM 1344 CB ASP B 608 14.250 4.163 -3.230 1.00 0.00 C ATOM 1345 CG ASP B 608 15.476 3.689 -3.987 1.00 0.00 C ATOM 1346 OD1 ASP B 608 16.296 4.544 -4.383 1.00 0.00 O ATOM 1347 OD2 ASP B 608 15.615 2.464 -4.182 1.00 0.00 O ATOM 0 H ASP B 608 12.612 5.596 -2.076 1.00 0.00 H new ATOM 0 HA ASP B 608 14.281 6.046 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP B 608 14.544 4.479 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP B 608 13.556 3.331 -3.111 1.00 0.00 H new ATOM 1352 N GLU B 609 11.763 3.994 -4.927 1.00 0.00 N ATOM 1353 CA GLU B 609 10.971 3.430 -6.014 1.00 0.00 C ATOM 1354 C GLU B 609 10.489 4.525 -6.960 1.00 0.00 C ATOM 1355 O GLU B 609 10.695 4.449 -8.171 1.00 0.00 O ATOM 1356 CB GLU B 609 9.773 2.659 -5.455 1.00 0.00 C ATOM 1357 CG GLU B 609 9.079 1.784 -6.484 1.00 0.00 C ATOM 1358 CD GLU B 609 9.975 0.680 -7.011 1.00 0.00 C ATOM 1359 OE1 GLU B 609 10.738 0.102 -6.209 1.00 0.00 O ATOM 1360 OE2 GLU B 609 9.915 0.395 -8.226 1.00 0.00 O ATOM 0 H GLU B 609 11.457 3.717 -3.994 1.00 0.00 H new ATOM 0 HA GLU B 609 11.606 2.744 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU B 609 10.108 2.035 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.052 3.369 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU B 609 8.188 1.342 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU B 609 8.745 2.404 -7.316 1.00 0.00 H new ATOM 1367 N ALA B 610 9.844 5.543 -6.399 1.00 0.00 N ATOM 1368 CA ALA B 610 9.334 6.654 -7.192 1.00 0.00 C ATOM 1369 C ALA B 610 10.417 7.223 -8.102 1.00 0.00 C ATOM 1370 O ALA B 610 10.276 7.225 -9.325 1.00 0.00 O ATOM 1371 CB ALA B 610 8.782 7.742 -6.282 1.00 0.00 C ATOM 0 H ALA B 610 9.663 5.621 -5.398 1.00 0.00 H new ATOM 0 HA ALA B 610 8.528 6.278 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.404 8.566 -6.888 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.971 7.334 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.574 8.106 -5.628 1.00 0.00 H new ATOM 1377 N VAL B 611 11.498 7.705 -7.498 1.00 0.00 N ATOM 1378 CA VAL B 611 12.606 8.276 -8.255 1.00 0.00 C ATOM 1379 C VAL B 611 13.050 7.338 -9.372 1.00 0.00 C ATOM 1380 O VAL B 611 13.367 7.778 -10.476 1.00 0.00 O ATOM 1381 CB VAL B 611 13.810 8.579 -7.344 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.914 9.271 -8.131 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.380 9.426 -6.156 1.00 0.00 C ATOM 0 H VAL B 611 11.630 7.712 -6.487 1.00 0.00 H new ATOM 0 HA VAL B 611 12.245 9.208 -8.690 1.00 0.00 H new ATOM 0 HB VAL B 611 14.203 7.636 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.757 9.477 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.241 8.624 -8.945 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.536 10.208 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.244 9.630 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.961 10.367 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.627 8.889 -5.580 1.00 0.00 H new ATOM 1393 N ALA B 612 13.070 6.043 -9.076 1.00 0.00 N ATOM 1394 CA ALA B 612 13.473 5.041 -10.055 1.00 0.00 C ATOM 1395 C ALA B 612 12.535 5.042 -11.258 1.00 0.00 C ATOM 1396 O ALA B 612 12.978 4.947 -12.403 1.00 0.00 O ATOM 1397 CB ALA B 612 13.511 3.662 -9.415 1.00 0.00 C ATOM 0 H ALA B 612 12.812 5.663 -8.165 1.00 0.00 H new ATOM 0 HA ALA B 612 14.474 5.294 -10.406 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.814 2.924 -10.158 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.226 3.662 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.521 3.410 -9.035 1.00 0.00 H new ATOM 1403 N VAL B 613 11.238 5.149 -10.991 1.00 0.00 N ATOM 1404 CA VAL B 613 10.238 5.163 -12.052 1.00 0.00 C ATOM 1405 C VAL B 613 10.403 6.385 -12.948 1.00 0.00 C ATOM 1406 O VAL B 613 10.303 6.290 -14.172 1.00 0.00 O ATOM 1407 CB VAL B 613 8.809 5.151 -11.477 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.784 5.310 -12.590 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.562 3.872 -10.692 1.00 0.00 C ATOM 0 H VAL B 613 10.855 5.227 -10.049 1.00 0.00 H new ATOM 0 HA VAL B 613 10.392 4.260 -12.643 1.00 0.00 H new ATOM 0 HB VAL B 613 8.703 5.995 -10.795 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.780 5.299 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL B 613 7.950 6.256 -13.105 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.886 4.488 -13.299 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.548 3.880 -10.293 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.686 3.012 -11.350 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.275 3.806 -9.870 1.00 0.00 H new ATOM 1419 N LEU B 614 10.657 7.534 -12.331 1.00 0.00 N ATOM 1420 CA LEU B 614 10.837 8.778 -13.072 1.00 0.00 C ATOM 1421 C LEU B 614 11.860 8.602 -14.190 1.00 0.00 C ATOM 1422 O LEU B 614 11.766 9.242 -15.236 1.00 0.00 O ATOM 1423 CB LEU B 614 11.283 9.896 -12.129 1.00 0.00 C ATOM 1424 CG LEU B 614 10.529 9.996 -10.802 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.777 11.346 -10.147 1.00 0.00 C ATOM 1426 CD2 LEU B 614 9.040 9.771 -11.017 1.00 0.00 C ATOM 0 H LEU B 614 10.743 7.630 -11.319 1.00 0.00 H new ATOM 0 HA LEU B 614 9.880 9.048 -13.519 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.343 9.760 -11.912 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.184 10.847 -12.653 1.00 0.00 H new ATOM 0 HG LEU B 614 10.901 9.218 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.232 11.399 -9.204 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.843 11.468 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.433 12.140 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.519 9.846 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.653 10.526 -11.702 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.879 8.780 -11.441 1.00 0.00 H new ATOM 1438 N GLN B 615 12.835 7.728 -13.961 1.00 0.00 N ATOM 1439 CA GLN B 615 13.874 7.467 -14.950 1.00 0.00 C ATOM 1440 C GLN B 615 13.263 7.114 -16.302 1.00 0.00 C ATOM 1441 O GLN B 615 13.858 7.369 -17.348 1.00 0.00 O ATOM 1442 CB GLN B 615 14.784 6.332 -14.477 1.00 0.00 C ATOM 1443 CG GLN B 615 16.090 6.237 -15.250 1.00 0.00 C ATOM 1444 CD GLN B 615 16.847 4.956 -14.961 1.00 0.00 C ATOM 1445 OE1 GLN B 615 17.511 4.832 -13.931 1.00 0.00 O ATOM 1446 NE2 GLN B 615 16.752 3.994 -15.871 1.00 0.00 N ATOM 0 H GLN B 615 12.927 7.189 -13.100 1.00 0.00 H new ATOM 0 HA GLN B 615 14.466 8.375 -15.065 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.007 6.473 -13.419 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.249 5.387 -14.567 1.00 0.00 H new ATOM 0 HG2 GLN B 615 15.881 6.298 -16.318 1.00 0.00 H new ATOM 0 HG3 GLN B 615 16.719 7.091 -14.999 1.00 0.00 H new ATOM 0 HE21 GLN B 615 16.191 4.139 -16.710 1.00 0.00 H new ATOM 0 HE22 GLN B 615 17.240 3.110 -15.731 1.00 0.00 H new ATOM 1455 N ALA B 616 12.072 6.526 -16.272 1.00 0.00 N ATOM 1456 CA ALA B 616 11.379 6.139 -17.495 1.00 0.00 C ATOM 1457 C ALA B 616 10.930 7.366 -18.282 1.00 0.00 C ATOM 1458 O ALA B 616 10.928 7.359 -19.513 1.00 0.00 O ATOM 1459 CB ALA B 616 10.186 5.253 -17.168 1.00 0.00 C ATOM 0 H ALA B 616 11.566 6.307 -15.414 1.00 0.00 H new ATOM 0 HA ALA B 616 12.076 5.576 -18.116 1.00 0.00 H new ATOM 0 HB1 ALA B 616 9.678 4.972 -18.090 1.00 0.00 H new ATOM 0 HB2 ALA B 616 10.530 4.355 -16.655 1.00 0.00 H new ATOM 0 HB3 ALA B 616 9.495 5.797 -16.524 1.00 0.00 H new ATOM 1465 N HIS B 617 10.549 8.417 -17.563 1.00 0.00 N ATOM 1466 CA HIS B 617 10.097 9.652 -18.195 1.00 0.00 C ATOM 1467 C HIS B 617 11.217 10.686 -18.229 1.00 0.00 C ATOM 1468 O HIS B 617 11.805 10.943 -19.279 1.00 0.00 O ATOM 1469 CB HIS B 617 8.886 10.217 -17.451 1.00 0.00 C ATOM 1470 CG HIS B 617 7.598 10.063 -18.199 1.00 0.00 C ATOM 1471 ND1 HIS B 617 7.124 8.845 -18.639 1.00 0.00 N ATOM 1472 CD2 HIS B 617 6.682 10.982 -18.583 1.00 0.00 C ATOM 1473 CE1 HIS B 617 5.973 9.022 -19.262 1.00 0.00 C ATOM 1474 NE2 HIS B 617 5.682 10.310 -19.242 1.00 0.00 N ATOM 0 H HIS B 617 10.544 8.439 -16.543 1.00 0.00 H new ATOM 0 HA HIS B 617 9.808 9.422 -19.221 1.00 0.00 H new ATOM 0 HB2 HIS B 617 8.798 9.718 -16.486 1.00 0.00 H new ATOM 0 HB3 HIS B 617 9.055 11.275 -17.249 1.00 0.00 H new ATOM 0 HD2 HIS B 617 6.729 12.046 -18.404 1.00 0.00 H new ATOM 0 HE1 HIS B 617 5.372 8.245 -19.711 1.00 0.00 H new ATOM 0 HE2 HIS B 617 4.850 10.736 -19.650 1.00 0.00 H new ATOM 1482 N GLN B 618 11.506 11.277 -17.074 1.00 0.00 N ATOM 1483 CA GLN B 618 12.555 12.285 -16.973 1.00 0.00 C ATOM 1484 C GLN B 618 13.159 12.303 -15.573 1.00 0.00 C ATOM 1485 O GLN B 618 12.439 12.337 -14.576 1.00 0.00 O ATOM 1486 CB GLN B 618 11.998 13.667 -17.319 1.00 0.00 C ATOM 1487 CG GLN B 618 11.599 13.815 -18.778 1.00 0.00 C ATOM 1488 CD GLN B 618 12.769 13.632 -19.724 1.00 0.00 C ATOM 1489 OE1 GLN B 618 13.929 13.755 -19.327 1.00 0.00 O ATOM 1490 NE2 GLN B 618 12.472 13.337 -20.984 1.00 0.00 N ATOM 0 H GLN B 618 11.029 11.075 -16.195 1.00 0.00 H new ATOM 0 HA GLN B 618 13.340 12.029 -17.684 1.00 0.00 H new ATOM 0 HB2 GLN B 618 11.129 13.867 -16.692 1.00 0.00 H new ATOM 0 HB3 GLN B 618 12.746 14.422 -17.077 1.00 0.00 H new ATOM 0 HG2 GLN B 618 10.827 13.083 -19.016 1.00 0.00 H new ATOM 0 HG3 GLN B 618 11.162 14.802 -18.933 1.00 0.00 H new ATOM 0 HE21 GLN B 618 11.497 13.244 -21.270 1.00 0.00 H new ATOM 0 HE22 GLN B 618 13.219 13.203 -21.666 1.00 0.00 H new ATOM 1499 N ALA B 619 14.487 12.279 -15.507 1.00 0.00 N ATOM 1500 CA ALA B 619 15.188 12.294 -14.229 1.00 0.00 C ATOM 1501 C ALA B 619 16.150 13.475 -14.145 1.00 0.00 C ATOM 1502 O ALA B 619 17.359 13.294 -14.002 1.00 0.00 O ATOM 1503 CB ALA B 619 15.936 10.986 -14.022 1.00 0.00 C ATOM 0 H ALA B 619 15.098 12.249 -16.323 1.00 0.00 H new ATOM 0 HA ALA B 619 14.447 12.405 -13.437 1.00 0.00 H new ATOM 0 HB1 ALA B 619 16.455 11.011 -13.064 1.00 0.00 H new ATOM 0 HB2 ALA B 619 15.228 10.157 -14.030 1.00 0.00 H new ATOM 0 HB3 ALA B 619 16.662 10.851 -14.824 1.00 0.00 H new ATOM 1509 N LYS B 620 15.605 14.683 -14.234 1.00 0.00 N ATOM 1510 CA LYS B 620 16.414 15.894 -14.167 1.00 0.00 C ATOM 1511 C LYS B 620 17.538 15.855 -15.198 1.00 0.00 C ATOM 1512 O LYS B 620 18.602 16.439 -14.991 1.00 0.00 O ATOM 1513 CB LYS B 620 17.000 16.065 -12.764 1.00 0.00 C ATOM 1514 CG LYS B 620 16.001 16.589 -11.747 1.00 0.00 C ATOM 1515 CD LYS B 620 15.544 17.997 -12.089 1.00 0.00 C ATOM 1516 CE LYS B 620 14.819 18.647 -10.920 1.00 0.00 C ATOM 1517 NZ LYS B 620 14.016 19.825 -11.352 1.00 0.00 N ATOM 0 H LYS B 620 14.606 14.850 -14.353 1.00 0.00 H new ATOM 0 HA LYS B 620 15.769 16.744 -14.390 1.00 0.00 H new ATOM 0 HB2 LYS B 620 17.385 15.105 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS B 620 17.847 16.749 -12.814 1.00 0.00 H new ATOM 0 HG2 LYS B 620 15.138 15.925 -11.708 1.00 0.00 H new ATOM 0 HG3 LYS B 620 16.453 16.583 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS B 620 16.406 18.603 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS B 620 14.884 17.966 -12.956 1.00 0.00 H new ATOM 0 HE2 LYS B 620 14.165 17.915 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS B 620 15.546 18.958 -10.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 620 13.537 20.240 -10.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 620 14.644 20.534 -11.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 620 13.306 19.524 -12.049 1.00 0.00 H new ATOM 1531 N GLU B 621 17.294 15.165 -16.307 1.00 0.00 N ATOM 1532 CA GLU B 621 18.287 15.051 -17.369 1.00 0.00 C ATOM 1533 C GLU B 621 17.944 15.974 -18.536 1.00 0.00 C ATOM 1534 O GLU B 621 18.174 15.636 -19.696 1.00 0.00 O ATOM 1535 CB GLU B 621 18.379 13.604 -17.859 1.00 0.00 C ATOM 1536 CG GLU B 621 19.043 12.667 -16.865 1.00 0.00 C ATOM 1537 CD GLU B 621 20.537 12.901 -16.749 1.00 0.00 C ATOM 1538 OE1 GLU B 621 21.276 12.487 -17.666 1.00 0.00 O ATOM 1539 OE2 GLU B 621 20.966 13.500 -15.741 1.00 0.00 O ATOM 0 H GLU B 621 16.418 14.677 -16.494 1.00 0.00 H new ATOM 0 HA GLU B 621 19.253 15.351 -16.962 1.00 0.00 H new ATOM 0 HB2 GLU B 621 17.375 13.238 -18.076 1.00 0.00 H new ATOM 0 HB3 GLU B 621 18.936 13.581 -18.796 1.00 0.00 H new ATOM 0 HG2 GLU B 621 18.582 12.796 -15.886 1.00 0.00 H new ATOM 0 HG3 GLU B 621 18.863 11.636 -17.168 1.00 0.00 H new ATOM 1546 N ALA B 622 17.392 17.140 -18.217 1.00 0.00 N ATOM 1547 CA ALA B 622 17.018 18.112 -19.237 1.00 0.00 C ATOM 1548 C ALA B 622 18.034 19.247 -19.312 1.00 0.00 C ATOM 1549 O ALA B 622 17.910 20.251 -18.612 1.00 0.00 O ATOM 1550 CB ALA B 622 15.628 18.663 -18.957 1.00 0.00 C ATOM 0 H ALA B 622 17.194 17.434 -17.261 1.00 0.00 H new ATOM 0 HA ALA B 622 17.008 17.604 -20.201 1.00 0.00 H new ATOM 0 HB1 ALA B 622 15.362 19.388 -19.727 1.00 0.00 H new ATOM 0 HB2 ALA B 622 14.905 17.847 -18.962 1.00 0.00 H new ATOM 0 HB3 ALA B 622 15.619 19.150 -17.982 1.00 0.00 H new ATOM 1556 N ALA B 623 19.039 19.080 -20.166 1.00 0.00 N ATOM 1557 CA ALA B 623 20.075 20.091 -20.333 1.00 0.00 C ATOM 1558 C ALA B 623 19.477 21.423 -20.772 1.00 0.00 C ATOM 1559 O ALA B 623 20.085 22.162 -21.547 1.00 0.00 O ATOM 1560 CB ALA B 623 21.115 19.620 -21.340 1.00 0.00 C ATOM 0 H ALA B 623 19.157 18.254 -20.753 1.00 0.00 H new ATOM 0 HA ALA B 623 20.560 20.241 -19.369 1.00 0.00 H new ATOM 0 HB1 ALA B 623 21.883 20.385 -21.455 1.00 0.00 H new ATOM 0 HB2 ALA B 623 21.573 18.697 -20.985 1.00 0.00 H new ATOM 0 HB3 ALA B 623 20.635 19.441 -22.302 1.00 0.00 H new TER 1566 ALA B 623