USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 840 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 35 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.765 X(o=0.77,f=0.57) USER MOD Single : A 1 GLN : amide:sc= 0.287 K(o=0.29,f=-7.3!) USER MOD Single : A 1 GLN N :NH3+ -168:sc= 0.836 (180deg=0.659) USER MOD Single : A 3 GLN : amide:sc= 0.113 K(o=0.11,f=-3.3!) USER MOD Single : A 8 SER OG : rot 11:sc= 1.16 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.73! K(o=-1.7!,f=0.28) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0694 USER MOD Single : A 19 SER OG : rot -54:sc= 0.105 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 23 ASN : amide:sc= -1.02 X(o=-1,f=-0.6) USER MOD Single : A 25 THR OG1 : rot 1:sc= 0.898 USER MOD Single : A 30 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.44) USER MOD Single : A 32 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 34 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.013) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -150:sc= -0.847 (180deg=-2.26!) USER MOD Single : A 39 SER OG : rot -82:sc= 1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.213 K(o=0.21,f=-2.9) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 63 THR OG1 : rot -69:sc= 1.27 USER MOD Single : A 64 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00663 K(o=-0.0066,f=-5.6!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 90 HIS : no HE2:sc= 0.924 K(o=0.92,f=-3.1!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -127:sc= -0.0888 (180deg=-1.54!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.628 K(o=0.63,f=-4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl -162:sc= -0.421 (180deg=-1.17) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.046) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= -0.227 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.0604 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 34.676 53.494 -8.893 1.00 3.02 N ATOM 2 CA GLN A 1 34.651 52.133 -9.466 1.00 31.53 C ATOM 3 C GLN A 1 33.536 51.373 -8.762 1.00 20.53 C ATOM 4 O GLN A 1 33.310 51.650 -7.588 1.00 2.10 O ATOM 5 CB GLN A 1 36.005 51.401 -9.313 1.00 12.30 C ATOM 6 CG GLN A 1 37.281 52.201 -9.659 1.00 34.13 C ATOM 7 CD GLN A 1 37.173 53.005 -10.953 1.00 34.33 C ATOM 8 OE1 GLN A 1 36.354 53.914 -11.023 1.00 3.41 O ATOM 9 NE2 GLN A 1 37.960 52.716 -11.972 1.00 32.14 N ATOM 0 H1 GLN A 1 35.279 54.106 -9.478 1.00 3.02 H new ATOM 0 H2 GLN A 1 33.710 53.879 -8.871 1.00 3.02 H new ATOM 0 H3 GLN A 1 35.056 53.456 -7.926 1.00 3.02 H new ATOM 0 HA GLN A 1 34.470 52.191 -10.539 1.00 31.53 H new ATOM 0 HB2 GLN A 1 36.090 51.059 -8.282 1.00 12.30 H new ATOM 0 HB3 GLN A 1 35.982 50.512 -9.943 1.00 12.30 H new ATOM 0 HG2 GLN A 1 37.506 52.881 -8.837 1.00 34.13 H new ATOM 0 HG3 GLN A 1 38.121 51.511 -9.740 1.00 34.13 H new ATOM 0 HE21 GLN A 1 38.636 51.956 -11.895 1.00 32.14 H new ATOM 0 HE22 GLN A 1 37.893 53.253 -12.837 1.00 32.14 H new ATOM 16 N ALA A 2 32.814 50.486 -9.451 1.00 71.22 N ATOM 17 CA ALA A 2 31.794 49.642 -8.830 1.00 54.03 C ATOM 18 C ALA A 2 31.662 48.378 -9.673 1.00 1.34 C ATOM 19 O ALA A 2 32.380 47.421 -9.420 1.00 14.03 O ATOM 20 CB ALA A 2 30.466 50.407 -8.677 1.00 72.41 C ATOM 0 H ALA A 2 32.921 50.334 -10.454 1.00 71.22 H new ATOM 0 HA ALA A 2 32.084 49.360 -7.818 1.00 54.03 H new ATOM 0 HB1 ALA A 2 29.724 49.758 -8.213 1.00 72.41 H new ATOM 0 HB2 ALA A 2 30.622 51.285 -8.051 1.00 72.41 H new ATOM 0 HB3 ALA A 2 30.111 50.720 -9.659 1.00 72.41 H new ATOM 26 N GLN A 3 30.845 48.427 -10.731 1.00 35.40 N ATOM 27 CA GLN A 3 30.826 47.452 -11.825 1.00 11.12 C ATOM 28 C GLN A 3 30.525 46.016 -11.353 1.00 21.50 C ATOM 29 O GLN A 3 30.957 45.056 -11.986 1.00 21.32 O ATOM 30 CB GLN A 3 32.122 47.595 -12.655 1.00 40.24 C ATOM 31 CG GLN A 3 32.269 48.991 -13.296 1.00 33.53 C ATOM 32 CD GLN A 3 33.714 49.480 -13.261 1.00 11.11 C ATOM 33 OE1 GLN A 3 34.106 50.174 -12.319 1.00 24.51 O ATOM 34 NE2 GLN A 3 34.508 49.132 -14.266 1.00 2.04 N ATOM 0 H GLN A 3 30.157 49.170 -10.852 1.00 35.40 H new ATOM 0 HA GLN A 3 29.987 47.674 -12.484 1.00 11.12 H new ATOM 0 HB2 GLN A 3 32.982 47.402 -12.014 1.00 40.24 H new ATOM 0 HB3 GLN A 3 32.132 46.837 -13.439 1.00 40.24 H new ATOM 0 HG2 GLN A 3 31.922 48.955 -14.329 1.00 33.53 H new ATOM 0 HG3 GLN A 3 31.632 49.702 -12.770 1.00 33.53 H new ATOM 0 HE21 GLN A 3 34.146 48.557 -15.027 1.00 2.04 H new ATOM 0 HE22 GLN A 3 35.480 49.440 -14.278 1.00 2.04 H new ATOM 41 N GLY A 4 29.746 45.868 -10.276 1.00 52.02 N ATOM 42 CA GLY A 4 29.085 44.615 -9.935 1.00 63.43 C ATOM 43 C GLY A 4 27.718 44.551 -10.618 1.00 23.51 C ATOM 44 O GLY A 4 27.246 45.548 -11.169 1.00 22.14 O ATOM 0 H GLY A 4 29.559 46.622 -9.616 1.00 52.02 H new ATOM 0 HA2 GLY A 4 29.699 43.771 -10.249 1.00 63.43 H new ATOM 0 HA3 GLY A 4 28.966 44.538 -8.854 1.00 63.43 H new ATOM 48 N VAL A 5 27.068 43.389 -10.557 1.00 20.44 N ATOM 49 CA VAL A 5 25.697 43.199 -10.987 1.00 34.24 C ATOM 50 C VAL A 5 24.826 43.483 -9.763 1.00 12.34 C ATOM 51 O VAL A 5 25.205 43.182 -8.631 1.00 53.04 O ATOM 52 CB VAL A 5 25.507 41.760 -11.521 1.00 52.42 C ATOM 53 CG1 VAL A 5 24.090 41.549 -12.079 1.00 64.51 C ATOM 54 CG2 VAL A 5 26.506 41.422 -12.641 1.00 22.51 C ATOM 0 H VAL A 5 27.498 42.537 -10.197 1.00 20.44 H new ATOM 0 HA VAL A 5 25.422 43.866 -11.804 1.00 34.24 H new ATOM 0 HB VAL A 5 25.678 41.104 -10.668 1.00 52.42 H new ATOM 0 HG11 VAL A 5 23.992 40.527 -12.446 1.00 64.51 H new ATOM 0 HG12 VAL A 5 23.359 41.723 -11.290 1.00 64.51 H new ATOM 0 HG13 VAL A 5 23.914 42.247 -12.898 1.00 64.51 H new ATOM 0 HG21 VAL A 5 26.335 40.402 -12.985 1.00 22.51 H new ATOM 0 HG22 VAL A 5 26.368 42.113 -13.472 1.00 22.51 H new ATOM 0 HG23 VAL A 5 27.523 41.511 -12.260 1.00 22.51 H new ATOM 64 N LEU A 6 23.642 44.032 -10.006 1.00 51.24 N ATOM 65 CA LEU A 6 22.643 44.388 -9.006 1.00 31.54 C ATOM 66 C LEU A 6 21.304 43.831 -9.485 1.00 40.12 C ATOM 67 O LEU A 6 20.719 44.381 -10.414 1.00 72.42 O ATOM 68 CB LEU A 6 22.575 45.920 -8.835 1.00 1.21 C ATOM 69 CG LEU A 6 23.851 46.584 -8.282 1.00 22.52 C ATOM 70 CD1 LEU A 6 23.706 48.109 -8.344 1.00 52.13 C ATOM 71 CD2 LEU A 6 24.144 46.165 -6.837 1.00 3.11 C ATOM 0 H LEU A 6 23.337 44.252 -10.954 1.00 51.24 H new ATOM 0 HA LEU A 6 22.901 43.968 -8.034 1.00 31.54 H new ATOM 0 HB2 LEU A 6 22.345 46.366 -9.803 1.00 1.21 H new ATOM 0 HB3 LEU A 6 21.745 46.157 -8.169 1.00 1.21 H new ATOM 0 HG LEU A 6 24.685 46.253 -8.901 1.00 22.52 H new ATOM 0 HD11 LEU A 6 24.609 48.577 -7.952 1.00 52.13 H new ATOM 0 HD12 LEU A 6 23.556 48.418 -9.378 1.00 52.13 H new ATOM 0 HD13 LEU A 6 22.849 48.418 -7.745 1.00 52.13 H new ATOM 0 HD21 LEU A 6 25.052 46.659 -6.492 1.00 3.11 H new ATOM 0 HD22 LEU A 6 23.309 46.453 -6.198 1.00 3.11 H new ATOM 0 HD23 LEU A 6 24.279 45.084 -6.792 1.00 3.11 H new ATOM 82 N ALA A 7 20.837 42.727 -8.900 1.00 2.32 N ATOM 83 CA ALA A 7 19.493 42.197 -9.106 1.00 20.44 C ATOM 84 C ALA A 7 19.070 41.430 -7.853 1.00 64.52 C ATOM 85 O ALA A 7 19.924 40.904 -7.138 1.00 23.51 O ATOM 86 CB ALA A 7 19.470 41.273 -10.332 1.00 1.02 C ATOM 0 H ALA A 7 21.396 42.166 -8.257 1.00 2.32 H new ATOM 0 HA ALA A 7 18.797 43.016 -9.286 1.00 20.44 H new ATOM 0 HB1 ALA A 7 18.462 40.884 -10.475 1.00 1.02 H new ATOM 0 HB2 ALA A 7 19.771 41.834 -11.216 1.00 1.02 H new ATOM 0 HB3 ALA A 7 20.160 40.444 -10.176 1.00 1.02 H new ATOM 92 N SER A 8 17.768 41.390 -7.580 1.00 31.12 N ATOM 93 CA SER A 8 17.066 40.673 -6.517 1.00 42.31 C ATOM 94 C SER A 8 15.565 40.894 -6.768 1.00 24.34 C ATOM 95 O SER A 8 15.207 41.886 -7.407 1.00 22.33 O ATOM 96 CB SER A 8 17.444 41.266 -5.151 1.00 22.13 C ATOM 97 OG SER A 8 18.769 40.910 -4.794 1.00 14.40 O ATOM 0 H SER A 8 17.110 41.913 -8.158 1.00 31.12 H new ATOM 0 HA SER A 8 17.325 39.614 -6.516 1.00 42.31 H new ATOM 0 HB2 SER A 8 17.351 42.352 -5.183 1.00 22.13 H new ATOM 0 HB3 SER A 8 16.750 40.909 -4.390 1.00 22.13 H new ATOM 0 HG SER A 8 19.222 40.516 -5.569 1.00 14.40 H new ATOM 102 N GLN A 9 14.694 40.008 -6.271 1.00 44.12 N ATOM 103 CA GLN A 9 13.239 40.185 -6.260 1.00 53.42 C ATOM 104 C GLN A 9 12.635 39.171 -5.282 1.00 71.55 C ATOM 105 O GLN A 9 13.194 38.086 -5.101 1.00 51.43 O ATOM 106 CB GLN A 9 12.636 40.022 -7.676 1.00 63.21 C ATOM 107 CG GLN A 9 12.957 38.677 -8.352 1.00 35.30 C ATOM 108 CD GLN A 9 12.575 38.605 -9.835 1.00 3.20 C ATOM 109 OE1 GLN A 9 11.985 39.513 -10.420 1.00 74.33 O ATOM 110 NE2 GLN A 9 12.950 37.523 -10.490 1.00 0.10 N ATOM 0 H GLN A 9 14.990 39.125 -5.855 1.00 44.12 H new ATOM 0 HA GLN A 9 13.001 41.198 -5.935 1.00 53.42 H new ATOM 0 HB2 GLN A 9 11.554 40.134 -7.612 1.00 63.21 H new ATOM 0 HB3 GLN A 9 13.003 40.830 -8.309 1.00 63.21 H new ATOM 0 HG2 GLN A 9 14.025 38.481 -8.255 1.00 35.30 H new ATOM 0 HG3 GLN A 9 12.437 37.882 -7.817 1.00 35.30 H new ATOM 0 HE21 GLN A 9 13.439 36.774 -10.000 1.00 0.10 H new ATOM 0 HE22 GLN A 9 12.751 37.436 -11.487 1.00 0.10 H new ATOM 117 N ALA A 10 11.502 39.497 -4.662 1.00 55.31 N ATOM 118 CA ALA A 10 10.788 38.655 -3.707 1.00 0.02 C ATOM 119 C ALA A 10 9.305 39.016 -3.727 1.00 3.24 C ATOM 120 O ALA A 10 8.931 40.113 -3.297 1.00 21.34 O ATOM 121 CB ALA A 10 11.353 38.855 -2.301 1.00 34.42 C ATOM 0 H ALA A 10 11.038 40.392 -4.819 1.00 55.31 H new ATOM 0 HA ALA A 10 10.913 37.609 -3.987 1.00 0.02 H new ATOM 0 HB1 ALA A 10 10.812 38.222 -1.598 1.00 34.42 H new ATOM 0 HB2 ALA A 10 12.410 38.587 -2.292 1.00 34.42 H new ATOM 0 HB3 ALA A 10 11.241 39.899 -2.009 1.00 34.42 H new ATOM 127 N LEU A 11 8.474 38.109 -4.238 1.00 15.40 N ATOM 128 CA LEU A 11 7.016 38.203 -4.261 1.00 24.22 C ATOM 129 C LEU A 11 6.492 37.016 -3.453 1.00 64.52 C ATOM 130 O LEU A 11 6.944 35.884 -3.657 1.00 75.44 O ATOM 131 CB LEU A 11 6.494 38.130 -5.713 1.00 72.51 C ATOM 132 CG LEU A 11 6.387 39.449 -6.508 1.00 33.21 C ATOM 133 CD1 LEU A 11 5.248 40.329 -5.981 1.00 62.54 C ATOM 134 CD2 LEU A 11 7.681 40.270 -6.553 1.00 15.04 C ATOM 0 H LEU A 11 8.815 37.249 -4.667 1.00 15.40 H new ATOM 0 HA LEU A 11 6.678 39.150 -3.839 1.00 24.22 H new ATOM 0 HB2 LEU A 11 7.145 37.456 -6.269 1.00 72.51 H new ATOM 0 HB3 LEU A 11 5.505 37.672 -5.691 1.00 72.51 H new ATOM 0 HG LEU A 11 6.177 39.134 -7.530 1.00 33.21 H new ATOM 0 HD11 LEU A 11 5.200 41.250 -6.563 1.00 62.54 H new ATOM 0 HD12 LEU A 11 4.303 39.794 -6.071 1.00 62.54 H new ATOM 0 HD13 LEU A 11 5.430 40.571 -4.934 1.00 62.54 H new ATOM 0 HD21 LEU A 11 7.515 41.179 -7.131 1.00 15.04 H new ATOM 0 HD22 LEU A 11 7.979 40.535 -5.539 1.00 15.04 H new ATOM 0 HD23 LEU A 11 8.470 39.681 -7.021 1.00 15.04 H new ATOM 145 N SER A 12 5.522 37.242 -2.568 1.00 53.01 N ATOM 146 CA SER A 12 5.012 36.248 -1.635 1.00 52.35 C ATOM 147 C SER A 12 3.553 36.594 -1.292 1.00 3.04 C ATOM 148 O SER A 12 3.297 37.246 -0.276 1.00 52.21 O ATOM 149 CB SER A 12 5.946 36.247 -0.407 1.00 60.31 C ATOM 150 OG SER A 12 5.800 35.073 0.372 1.00 31.12 O ATOM 0 H SER A 12 5.059 38.147 -2.481 1.00 53.01 H new ATOM 0 HA SER A 12 5.004 35.242 -2.054 1.00 52.35 H new ATOM 0 HB2 SER A 12 6.981 36.335 -0.739 1.00 60.31 H new ATOM 0 HB3 SER A 12 5.734 37.120 0.210 1.00 60.31 H new ATOM 0 HG SER A 12 6.410 35.111 1.138 1.00 31.12 H new ATOM 155 N GLN A 13 2.575 36.198 -2.114 1.00 53.02 N ATOM 156 CA GLN A 13 1.151 36.454 -1.867 1.00 14.11 C ATOM 157 C GLN A 13 0.299 35.417 -2.624 1.00 31.30 C ATOM 158 O GLN A 13 0.841 34.609 -3.380 1.00 60.54 O ATOM 159 CB GLN A 13 0.827 37.912 -2.271 1.00 55.35 C ATOM 160 CG GLN A 13 -0.139 38.646 -1.322 1.00 24.14 C ATOM 161 CD GLN A 13 -1.584 38.604 -1.798 1.00 13.23 C ATOM 162 OE1 GLN A 13 -1.961 39.336 -2.712 1.00 71.32 O ATOM 163 NE2 GLN A 13 -2.423 37.778 -1.199 1.00 32.42 N ATOM 0 H GLN A 13 2.751 35.686 -2.978 1.00 53.02 H new ATOM 0 HA GLN A 13 0.912 36.345 -0.809 1.00 14.11 H new ATOM 0 HB2 GLN A 13 1.759 38.475 -2.325 1.00 55.35 H new ATOM 0 HB3 GLN A 13 0.398 37.910 -3.273 1.00 55.35 H new ATOM 0 HG2 GLN A 13 -0.076 38.199 -0.330 1.00 24.14 H new ATOM 0 HG3 GLN A 13 0.176 39.685 -1.224 1.00 24.14 H new ATOM 0 HE21 GLN A 13 -2.095 37.177 -0.443 1.00 32.42 H new ATOM 0 HE22 GLN A 13 -3.399 37.741 -1.493 1.00 32.42 H new ATOM 170 N GLY A 14 -1.019 35.432 -2.427 1.00 73.41 N ATOM 171 CA GLY A 14 -1.989 34.631 -3.157 1.00 23.12 C ATOM 172 C GLY A 14 -2.068 33.209 -2.616 1.00 11.41 C ATOM 173 O GLY A 14 -1.320 32.339 -3.064 1.00 0.23 O ATOM 0 H GLY A 14 -1.454 36.029 -1.724 1.00 73.41 H new ATOM 0 HA2 GLY A 14 -2.971 35.100 -3.092 1.00 23.12 H new ATOM 0 HA3 GLY A 14 -1.718 34.604 -4.212 1.00 23.12 H new ATOM 177 N SER A 15 -3.004 32.919 -1.715 1.00 72.43 N ATOM 178 CA SER A 15 -3.238 31.600 -1.156 1.00 51.22 C ATOM 179 C SER A 15 -4.719 31.471 -0.808 1.00 55.21 C ATOM 180 O SER A 15 -5.355 32.420 -0.340 1.00 24.23 O ATOM 181 CB SER A 15 -2.333 31.338 0.064 1.00 55.14 C ATOM 182 OG SER A 15 -1.720 32.503 0.591 1.00 41.01 O ATOM 0 H SER A 15 -3.640 33.625 -1.344 1.00 72.43 H new ATOM 0 HA SER A 15 -2.980 30.840 -1.893 1.00 51.22 H new ATOM 0 HB2 SER A 15 -2.926 30.866 0.848 1.00 55.14 H new ATOM 0 HB3 SER A 15 -1.556 30.628 -0.219 1.00 55.14 H new ATOM 0 HG SER A 15 -1.164 32.261 1.361 1.00 41.01 H new ATOM 187 N GLU A 16 -5.259 30.285 -1.049 1.00 23.34 N ATOM 188 CA GLU A 16 -6.656 29.884 -0.907 1.00 2.10 C ATOM 189 C GLU A 16 -6.732 28.449 -0.330 1.00 21.10 C ATOM 190 O GLU A 16 -5.701 27.772 -0.196 1.00 20.30 O ATOM 191 CB GLU A 16 -7.362 30.019 -2.273 1.00 54.11 C ATOM 192 CG GLU A 16 -8.247 31.274 -2.372 1.00 41.01 C ATOM 193 CD GLU A 16 -8.984 31.414 -3.716 1.00 0.44 C ATOM 194 OE1 GLU A 16 -9.010 30.469 -4.526 1.00 53.21 O ATOM 195 OE2 GLU A 16 -9.582 32.492 -3.958 1.00 4.13 O ATOM 0 H GLU A 16 -4.683 29.510 -1.377 1.00 23.34 H new ATOM 0 HA GLU A 16 -7.175 30.535 -0.204 1.00 2.10 H new ATOM 0 HB2 GLU A 16 -6.611 30.048 -3.062 1.00 54.11 H new ATOM 0 HB3 GLU A 16 -7.975 29.135 -2.448 1.00 54.11 H new ATOM 0 HG2 GLU A 16 -8.981 31.253 -1.567 1.00 41.01 H new ATOM 0 HG3 GLU A 16 -7.627 32.157 -2.215 1.00 41.01 H new ATOM 200 N PRO A 17 -7.913 28.003 0.142 1.00 42.45 N ATOM 201 CA PRO A 17 -8.120 26.684 0.729 1.00 21.20 C ATOM 202 C PRO A 17 -8.122 25.578 -0.335 1.00 51.41 C ATOM 203 O PRO A 17 -7.971 25.822 -1.533 1.00 74.55 O ATOM 204 CB PRO A 17 -9.459 26.785 1.473 1.00 12.04 C ATOM 205 CG PRO A 17 -10.238 27.792 0.636 1.00 3.44 C ATOM 206 CD PRO A 17 -9.154 28.758 0.183 1.00 62.22 C ATOM 0 HA PRO A 17 -7.311 26.408 1.405 1.00 21.20 H new ATOM 0 HB2 PRO A 17 -9.967 25.822 1.523 1.00 12.04 H new ATOM 0 HB3 PRO A 17 -9.326 27.129 2.499 1.00 12.04 H new ATOM 0 HG2 PRO A 17 -10.736 27.317 -0.209 1.00 3.44 H new ATOM 0 HG3 PRO A 17 -11.009 28.294 1.220 1.00 3.44 H new ATOM 0 HD2 PRO A 17 -9.389 29.171 -0.798 1.00 62.22 H new ATOM 0 HD3 PRO A 17 -9.073 29.599 0.871 1.00 62.22 H new ATOM 211 N SER A 18 -8.317 24.340 0.110 1.00 55.43 N ATOM 212 CA SER A 18 -8.448 23.149 -0.716 1.00 62.51 C ATOM 213 C SER A 18 -9.348 22.145 0.013 1.00 20.50 C ATOM 214 O SER A 18 -9.615 22.317 1.212 1.00 73.51 O ATOM 215 CB SER A 18 -7.054 22.560 -0.976 1.00 20.43 C ATOM 216 OG SER A 18 -6.146 23.574 -1.377 1.00 1.01 O ATOM 0 H SER A 18 -8.391 24.133 1.106 1.00 55.43 H new ATOM 0 HA SER A 18 -8.900 23.391 -1.678 1.00 62.51 H new ATOM 0 HB2 SER A 18 -6.686 22.072 -0.073 1.00 20.43 H new ATOM 0 HB3 SER A 18 -7.116 21.794 -1.749 1.00 20.43 H new ATOM 0 HG SER A 18 -5.264 23.179 -1.536 1.00 1.01 H new ATOM 221 N SER A 19 -9.773 21.098 -0.693 1.00 64.54 N ATOM 222 CA SER A 19 -10.498 19.954 -0.159 1.00 41.34 C ATOM 223 C SER A 19 -9.947 18.686 -0.829 1.00 40.25 C ATOM 224 O SER A 19 -10.712 17.859 -1.328 1.00 14.32 O ATOM 225 CB SER A 19 -12.006 20.176 -0.372 1.00 43.41 C ATOM 226 OG SER A 19 -12.770 19.171 0.266 1.00 42.02 O ATOM 0 H SER A 19 -9.612 21.024 -1.698 1.00 64.54 H new ATOM 0 HA SER A 19 -10.357 19.835 0.915 1.00 41.34 H new ATOM 0 HB2 SER A 19 -12.290 21.154 0.017 1.00 43.41 H new ATOM 0 HB3 SER A 19 -12.228 20.181 -1.439 1.00 43.41 H new ATOM 0 HG SER A 19 -12.465 18.289 -0.033 1.00 42.02 H new ATOM 231 N GLU A 20 -8.617 18.551 -0.853 1.00 4.13 N ATOM 232 CA GLU A 20 -7.908 17.403 -1.415 1.00 55.15 C ATOM 233 C GLU A 20 -8.272 16.119 -0.648 1.00 74.33 C ATOM 234 O GLU A 20 -8.847 16.178 0.446 1.00 62.35 O ATOM 235 CB GLU A 20 -6.387 17.664 -1.367 1.00 33.53 C ATOM 236 CG GLU A 20 -5.645 17.150 -2.610 1.00 2.11 C ATOM 237 CD GLU A 20 -5.629 18.167 -3.755 1.00 63.25 C ATOM 238 OE1 GLU A 20 -6.666 18.823 -4.004 1.00 3.41 O ATOM 239 OE2 GLU A 20 -4.566 18.325 -4.399 1.00 21.34 O ATOM 0 H GLU A 20 -7.989 19.258 -0.471 1.00 4.13 H new ATOM 0 HA GLU A 20 -8.208 17.266 -2.454 1.00 55.15 H new ATOM 0 HB2 GLU A 20 -6.212 18.735 -1.264 1.00 33.53 H new ATOM 0 HB3 GLU A 20 -5.971 17.186 -0.480 1.00 33.53 H new ATOM 0 HG2 GLU A 20 -4.620 16.900 -2.338 1.00 2.11 H new ATOM 0 HG3 GLU A 20 -6.117 16.230 -2.954 1.00 2.11 H new ATOM 244 N ASN A 21 -7.905 14.946 -1.182 1.00 33.51 N ATOM 245 CA ASN A 21 -8.406 13.645 -0.723 1.00 32.43 C ATOM 246 C ASN A 21 -7.271 12.628 -0.556 1.00 23.34 C ATOM 247 O ASN A 21 -7.324 11.535 -1.123 1.00 71.34 O ATOM 248 CB ASN A 21 -9.523 13.152 -1.672 1.00 44.44 C ATOM 249 CG ASN A 21 -10.792 13.970 -1.479 1.00 15.50 C ATOM 250 OD1 ASN A 21 -11.407 13.906 -0.417 1.00 54.54 O ATOM 251 ND2 ASN A 21 -11.188 14.764 -2.457 1.00 3.40 N ATOM 0 H ASN A 21 -7.243 14.874 -1.955 1.00 33.51 H new ATOM 0 HA ASN A 21 -8.842 13.761 0.269 1.00 32.43 H new ATOM 0 HB2 ASN A 21 -9.188 13.229 -2.707 1.00 44.44 H new ATOM 0 HB3 ASN A 21 -9.731 12.099 -1.482 1.00 44.44 H new ATOM 0 HD21 ASN A 21 -12.021 15.341 -2.340 1.00 3.40 H new ATOM 0 HD22 ASN A 21 -10.661 14.800 -3.330 1.00 3.40 H new ATOM 257 N ALA A 22 -6.224 12.971 0.206 1.00 21.34 N ATOM 258 CA ALA A 22 -5.075 12.097 0.458 1.00 22.51 C ATOM 259 C ALA A 22 -4.494 12.385 1.843 1.00 13.14 C ATOM 260 O ALA A 22 -3.532 13.145 1.962 1.00 74.22 O ATOM 261 CB ALA A 22 -4.013 12.301 -0.636 1.00 41.11 C ATOM 0 H ALA A 22 -6.152 13.876 0.670 1.00 21.34 H new ATOM 0 HA ALA A 22 -5.400 11.057 0.432 1.00 22.51 H new ATOM 0 HB1 ALA A 22 -3.162 11.648 -0.443 1.00 41.11 H new ATOM 0 HB2 ALA A 22 -4.442 12.060 -1.609 1.00 41.11 H new ATOM 0 HB3 ALA A 22 -3.682 13.340 -0.633 1.00 41.11 H new ATOM 267 N ASN A 23 -5.049 11.788 2.902 1.00 62.41 N ATOM 268 CA ASN A 23 -4.763 12.193 4.290 1.00 4.33 C ATOM 269 C ASN A 23 -4.275 11.062 5.191 1.00 71.04 C ATOM 270 O ASN A 23 -4.166 11.202 6.408 1.00 32.11 O ATOM 271 CB ASN A 23 -5.956 12.921 4.902 1.00 41.14 C ATOM 272 CG ASN A 23 -7.147 12.092 5.363 1.00 25.41 C ATOM 273 OD1 ASN A 23 -7.760 12.419 6.372 1.00 12.44 O ATOM 274 ND2 ASN A 23 -7.600 11.093 4.630 1.00 71.21 N ATOM 0 H ASN A 23 -5.707 11.013 2.827 1.00 62.41 H new ATOM 0 HA ASN A 23 -3.922 12.883 4.226 1.00 4.33 H new ATOM 0 HB2 ASN A 23 -5.595 13.490 5.759 1.00 41.14 H new ATOM 0 HB3 ASN A 23 -6.317 13.643 4.169 1.00 41.14 H new ATOM 0 HD21 ASN A 23 -8.451 10.603 4.906 1.00 71.21 H new ATOM 0 HD22 ASN A 23 -7.099 10.811 3.787 1.00 71.21 H new ATOM 280 N ASP A 24 -3.976 9.934 4.587 1.00 2.30 N ATOM 281 CA ASP A 24 -3.845 8.615 5.171 1.00 52.53 C ATOM 282 C ASP A 24 -3.021 7.811 4.176 1.00 33.00 C ATOM 283 O ASP A 24 -3.433 7.629 3.029 1.00 71.31 O ATOM 284 CB ASP A 24 -5.225 7.981 5.453 1.00 30.11 C ATOM 285 CG ASP A 24 -6.400 8.342 4.520 1.00 25.24 C ATOM 286 OD1 ASP A 24 -6.221 8.959 3.437 1.00 21.32 O ATOM 287 OD2 ASP A 24 -7.557 8.132 4.939 1.00 11.20 O ATOM 0 H ASP A 24 -3.802 9.913 3.582 1.00 2.30 H new ATOM 0 HA ASP A 24 -3.353 8.646 6.143 1.00 52.53 H new ATOM 0 HB2 ASP A 24 -5.104 6.898 5.432 1.00 30.11 H new ATOM 0 HB3 ASP A 24 -5.513 8.250 6.469 1.00 30.11 H new ATOM 291 N THR A 25 -1.834 7.357 4.580 1.00 32.31 N ATOM 292 CA THR A 25 -0.894 6.599 3.753 1.00 31.32 C ATOM 293 C THR A 25 0.093 5.878 4.683 1.00 74.25 C ATOM 294 O THR A 25 0.803 6.547 5.433 1.00 13.40 O ATOM 295 CB THR A 25 -0.170 7.581 2.804 1.00 10.31 C ATOM 296 OG1 THR A 25 -1.061 8.120 1.842 1.00 43.52 O ATOM 297 CG2 THR A 25 0.974 6.935 2.032 1.00 23.44 C ATOM 0 H THR A 25 -1.488 7.513 5.527 1.00 32.31 H new ATOM 0 HA THR A 25 -1.406 5.853 3.145 1.00 31.32 H new ATOM 0 HB THR A 25 0.226 8.358 3.458 1.00 10.31 H new ATOM 0 HG1 THR A 25 -1.961 7.764 1.994 1.00 43.52 H new ATOM 0 HG21 THR A 25 1.441 7.677 1.384 1.00 23.44 H new ATOM 0 HG22 THR A 25 1.714 6.549 2.733 1.00 23.44 H new ATOM 0 HG23 THR A 25 0.587 6.116 1.426 1.00 23.44 H new ATOM 305 N ILE A 26 0.156 4.544 4.654 1.00 42.25 N ATOM 306 CA ILE A 26 1.304 3.788 5.159 1.00 10.52 C ATOM 307 C ILE A 26 2.405 3.840 4.086 1.00 44.25 C ATOM 308 O ILE A 26 2.134 3.978 2.888 1.00 33.22 O ATOM 309 CB ILE A 26 0.882 2.338 5.520 1.00 71.02 C ATOM 310 CG1 ILE A 26 -0.183 2.271 6.637 1.00 21.22 C ATOM 311 CG2 ILE A 26 2.057 1.415 5.903 1.00 65.44 C ATOM 312 CD1 ILE A 26 0.198 2.935 7.961 1.00 33.01 C ATOM 0 H ILE A 26 -0.589 3.957 4.279 1.00 42.25 H new ATOM 0 HA ILE A 26 1.691 4.224 6.080 1.00 10.52 H new ATOM 0 HB ILE A 26 0.449 1.970 4.590 1.00 71.02 H new ATOM 0 HG12 ILE A 26 -1.098 2.736 6.269 1.00 21.22 H new ATOM 0 HG13 ILE A 26 -0.414 1.223 6.831 1.00 21.22 H new ATOM 0 HG21 ILE A 26 1.677 0.422 6.141 1.00 65.44 H new ATOM 0 HG22 ILE A 26 2.753 1.347 5.067 1.00 65.44 H new ATOM 0 HG23 ILE A 26 2.572 1.824 6.772 1.00 65.44 H new ATOM 0 HD11 ILE A 26 -0.622 2.828 8.671 1.00 33.01 H new ATOM 0 HD12 ILE A 26 1.091 2.458 8.364 1.00 33.01 H new ATOM 0 HD13 ILE A 26 0.397 3.994 7.793 1.00 33.01 H new ATOM 323 N ILE A 27 3.653 3.706 4.528 1.00 25.20 N ATOM 324 CA ILE A 27 4.862 3.659 3.709 1.00 52.13 C ATOM 325 C ILE A 27 5.680 2.460 4.199 1.00 13.52 C ATOM 326 O ILE A 27 5.653 2.127 5.389 1.00 30.43 O ATOM 327 CB ILE A 27 5.622 5.010 3.812 1.00 55.34 C ATOM 328 CG1 ILE A 27 6.722 5.233 2.748 1.00 14.22 C ATOM 329 CG2 ILE A 27 6.279 5.202 5.180 1.00 61.14 C ATOM 330 CD1 ILE A 27 6.158 5.859 1.477 1.00 51.11 C ATOM 0 H ILE A 27 3.860 3.623 5.523 1.00 25.20 H new ATOM 0 HA ILE A 27 4.643 3.526 2.650 1.00 52.13 H new ATOM 0 HB ILE A 27 4.830 5.739 3.642 1.00 55.34 H new ATOM 0 HG12 ILE A 27 7.499 5.878 3.158 1.00 14.22 H new ATOM 0 HG13 ILE A 27 7.193 4.280 2.506 1.00 14.22 H new ATOM 0 HG21 ILE A 27 6.798 6.160 5.203 1.00 61.14 H new ATOM 0 HG22 ILE A 27 5.514 5.185 5.957 1.00 61.14 H new ATOM 0 HG23 ILE A 27 6.994 4.398 5.356 1.00 61.14 H new ATOM 0 HD11 ILE A 27 6.961 6.000 0.754 1.00 51.11 H new ATOM 0 HD12 ILE A 27 5.399 5.201 1.053 1.00 51.11 H new ATOM 0 HD13 ILE A 27 5.710 6.824 1.714 1.00 51.11 H new ATOM 341 N LEU A 28 6.420 1.818 3.301 1.00 65.35 N ATOM 342 CA LEU A 28 7.304 0.711 3.636 1.00 4.51 C ATOM 343 C LEU A 28 8.749 1.195 3.467 1.00 34.54 C ATOM 344 O LEU A 28 8.999 2.059 2.635 1.00 62.24 O ATOM 345 CB LEU A 28 6.978 -0.538 2.798 1.00 50.52 C ATOM 346 CG LEU A 28 5.566 -1.150 2.874 1.00 23.13 C ATOM 347 CD1 LEU A 28 5.086 -1.364 4.313 1.00 24.33 C ATOM 348 CD2 LEU A 28 4.507 -0.367 2.092 1.00 25.42 C ATOM 0 H LEU A 28 6.422 2.056 2.309 1.00 65.35 H new ATOM 0 HA LEU A 28 7.160 0.402 4.671 1.00 4.51 H new ATOM 0 HB2 LEU A 28 7.173 -0.292 1.754 1.00 50.52 H new ATOM 0 HB3 LEU A 28 7.688 -1.316 3.080 1.00 50.52 H new ATOM 0 HG LEU A 28 5.678 -2.122 2.394 1.00 23.13 H new ATOM 0 HD11 LEU A 28 4.086 -1.797 4.302 1.00 24.33 H new ATOM 0 HD12 LEU A 28 5.769 -2.040 4.828 1.00 24.33 H new ATOM 0 HD13 LEU A 28 5.061 -0.407 4.834 1.00 24.33 H new ATOM 0 HD21 LEU A 28 3.540 -0.860 2.194 1.00 25.42 H new ATOM 0 HD22 LEU A 28 4.440 0.647 2.485 1.00 25.42 H new ATOM 0 HD23 LEU A 28 4.786 -0.330 1.039 1.00 25.42 H new ATOM 359 N ARG A 29 9.695 0.638 4.221 1.00 21.10 N ATOM 360 CA ARG A 29 11.136 0.927 4.284 1.00 12.04 C ATOM 361 C ARG A 29 11.908 -0.393 4.415 1.00 32.13 C ATOM 362 O ARG A 29 11.343 -1.334 4.990 1.00 52.53 O ATOM 363 CB ARG A 29 11.447 1.764 5.543 1.00 22.44 C ATOM 364 CG ARG A 29 10.542 2.982 5.767 1.00 74.22 C ATOM 365 CD ARG A 29 11.012 3.804 6.975 1.00 61.53 C ATOM 366 NE ARG A 29 11.628 5.082 6.585 1.00 31.20 N ATOM 367 CZ ARG A 29 12.526 5.763 7.311 1.00 24.54 C ATOM 368 NH1 ARG A 29 12.903 5.353 8.518 1.00 13.44 N ATOM 369 NH2 ARG A 29 13.049 6.872 6.817 1.00 62.45 N ATOM 0 H ARG A 29 9.450 -0.106 4.874 1.00 21.10 H new ATOM 0 HA ARG A 29 11.425 1.467 3.382 1.00 12.04 H new ATOM 0 HB2 ARG A 29 11.376 1.115 6.416 1.00 22.44 H new ATOM 0 HB3 ARG A 29 12.480 2.107 5.484 1.00 22.44 H new ATOM 0 HG2 ARG A 29 10.542 3.608 4.875 1.00 74.22 H new ATOM 0 HG3 ARG A 29 9.515 2.652 5.925 1.00 74.22 H new ATOM 0 HD2 ARG A 29 10.163 3.999 7.630 1.00 61.53 H new ATOM 0 HD3 ARG A 29 11.730 3.219 7.550 1.00 61.53 H new ATOM 0 HE ARG A 29 11.349 5.482 5.689 1.00 31.20 H new ATOM 0 HH11 ARG A 29 12.507 4.500 8.914 1.00 13.44 H new ATOM 0 HH12 ARG A 29 13.588 5.891 9.048 1.00 13.44 H new ATOM 0 HH21 ARG A 29 12.768 7.201 5.893 1.00 62.45 H new ATOM 0 HH22 ARG A 29 13.733 7.399 7.360 1.00 62.45 H new ATOM 380 N ASN A 30 13.179 -0.440 3.988 1.00 72.42 N ATOM 381 CA ASN A 30 14.104 -1.592 4.018 1.00 24.52 C ATOM 382 C ASN A 30 13.771 -2.622 2.930 1.00 5.13 C ATOM 383 O ASN A 30 13.823 -3.832 3.169 1.00 45.44 O ATOM 384 CB ASN A 30 14.167 -2.249 5.412 1.00 12.32 C ATOM 385 CG ASN A 30 15.288 -3.278 5.580 1.00 62.44 C ATOM 386 OD1 ASN A 30 16.418 -3.085 5.128 1.00 71.13 O ATOM 387 ND2 ASN A 30 15.024 -4.373 6.274 1.00 31.20 N ATOM 0 H ASN A 30 13.623 0.384 3.583 1.00 72.42 H new ATOM 0 HA ASN A 30 15.097 -1.199 3.802 1.00 24.52 H new ATOM 0 HB2 ASN A 30 14.293 -1.468 6.162 1.00 12.32 H new ATOM 0 HB3 ASN A 30 13.212 -2.735 5.614 1.00 12.32 H new ATOM 0 HD21 ASN A 30 15.758 -5.063 6.437 1.00 31.20 H new ATOM 0 HD22 ASN A 30 14.087 -4.528 6.646 1.00 31.20 H new ATOM 393 N LEU A 31 13.349 -2.178 1.741 1.00 64.25 N ATOM 394 CA LEU A 31 12.872 -3.099 0.714 1.00 51.53 C ATOM 395 C LEU A 31 14.019 -3.516 -0.182 1.00 71.12 C ATOM 396 O LEU A 31 14.954 -2.751 -0.424 1.00 24.42 O ATOM 397 CB LEU A 31 11.708 -2.518 -0.112 1.00 13.34 C ATOM 398 CG LEU A 31 10.415 -2.532 0.710 1.00 54.35 C ATOM 399 CD1 LEU A 31 10.477 -1.643 1.917 1.00 71.41 C ATOM 400 CD2 LEU A 31 9.140 -2.292 -0.086 1.00 21.20 C ATOM 0 H LEU A 31 13.329 -1.195 1.471 1.00 64.25 H new ATOM 0 HA LEU A 31 12.477 -3.978 1.223 1.00 51.53 H new ATOM 0 HB2 LEU A 31 11.943 -1.498 -0.417 1.00 13.34 H new ATOM 0 HB3 LEU A 31 11.574 -3.100 -1.024 1.00 13.34 H new ATOM 0 HG LEU A 31 10.350 -3.564 1.056 1.00 54.35 H new ATOM 0 HD11 LEU A 31 9.532 -1.696 2.457 1.00 71.41 H new ATOM 0 HD12 LEU A 31 11.287 -1.971 2.569 1.00 71.41 H new ATOM 0 HD13 LEU A 31 10.658 -0.615 1.603 1.00 71.41 H new ATOM 0 HD21 LEU A 31 8.281 -2.321 0.585 1.00 21.20 H new ATOM 0 HD22 LEU A 31 9.191 -1.316 -0.569 1.00 21.20 H new ATOM 0 HD23 LEU A 31 9.034 -3.067 -0.845 1.00 21.20 H new ATOM 411 N ASN A 32 13.909 -4.724 -0.735 1.00 13.11 N ATOM 412 CA ASN A 32 14.860 -5.153 -1.750 1.00 51.24 C ATOM 413 C ASN A 32 14.563 -4.487 -3.088 1.00 63.44 C ATOM 414 O ASN A 32 13.387 -4.283 -3.404 1.00 71.12 O ATOM 415 CB ASN A 32 14.858 -6.677 -1.911 1.00 5.42 C ATOM 416 CG ASN A 32 16.237 -7.317 -1.790 1.00 11.43 C ATOM 417 OD1 ASN A 32 16.581 -8.137 -2.627 1.00 31.21 O ATOM 418 ND2 ASN A 32 17.058 -6.954 -0.816 1.00 53.14 N ATOM 0 H ASN A 32 13.187 -5.406 -0.502 1.00 13.11 H new ATOM 0 HA ASN A 32 15.851 -4.846 -1.416 1.00 51.24 H new ATOM 0 HB2 ASN A 32 14.201 -7.110 -1.157 1.00 5.42 H new ATOM 0 HB3 ASN A 32 14.437 -6.928 -2.884 1.00 5.42 H new ATOM 0 HD21 ASN A 32 17.992 -7.361 -0.758 1.00 53.14 H new ATOM 0 HD22 ASN A 32 16.757 -6.268 -0.124 1.00 53.14 H new ATOM 424 N PRO A 33 15.586 -4.265 -3.926 1.00 74.34 N ATOM 425 CA PRO A 33 15.403 -3.672 -5.244 1.00 31.11 C ATOM 426 C PRO A 33 14.613 -4.609 -6.168 1.00 10.00 C ATOM 427 O PRO A 33 14.037 -4.154 -7.156 1.00 32.54 O ATOM 428 CB PRO A 33 16.810 -3.340 -5.749 1.00 3.21 C ATOM 429 CG PRO A 33 17.757 -4.196 -4.912 1.00 2.04 C ATOM 430 CD PRO A 33 16.985 -4.522 -3.636 1.00 42.35 C ATOM 0 HA PRO A 33 14.802 -2.763 -5.213 1.00 31.11 H new ATOM 0 HB2 PRO A 33 16.910 -3.568 -6.810 1.00 3.21 H new ATOM 0 HB3 PRO A 33 17.030 -2.279 -5.629 1.00 3.21 H new ATOM 0 HG2 PRO A 33 18.039 -5.105 -5.444 1.00 2.04 H new ATOM 0 HG3 PRO A 33 18.678 -3.659 -4.688 1.00 2.04 H new ATOM 0 HD2 PRO A 33 17.137 -5.562 -3.345 1.00 42.35 H new ATOM 0 HD3 PRO A 33 17.329 -3.905 -2.806 1.00 42.35 H new ATOM 435 N HIS A 34 14.525 -5.890 -5.797 1.00 50.24 N ATOM 436 CA HIS A 34 13.824 -6.952 -6.492 1.00 2.21 C ATOM 437 C HIS A 34 12.627 -7.485 -5.708 1.00 24.04 C ATOM 438 O HIS A 34 12.101 -8.539 -6.070 1.00 21.03 O ATOM 439 CB HIS A 34 14.815 -8.087 -6.753 1.00 41.34 C ATOM 440 CG HIS A 34 15.918 -7.678 -7.688 1.00 22.13 C ATOM 441 ND1 HIS A 34 15.753 -7.281 -8.994 1.00 31.02 N ATOM 442 CD2 HIS A 34 17.242 -7.551 -7.368 1.00 72.44 C ATOM 443 CE1 HIS A 34 16.965 -6.942 -9.462 1.00 22.54 C ATOM 444 NE2 HIS A 34 17.904 -7.093 -8.511 1.00 22.32 N ATOM 0 H HIS A 34 14.975 -6.225 -4.945 1.00 50.24 H new ATOM 0 HA HIS A 34 13.430 -6.545 -7.423 1.00 2.21 H new ATOM 0 HB2 HIS A 34 15.246 -8.414 -5.807 1.00 41.34 H new ATOM 0 HB3 HIS A 34 14.284 -8.941 -7.173 1.00 41.34 H new ATOM 0 HD2 HIS A 34 17.692 -7.765 -6.410 1.00 72.44 H new ATOM 0 HE1 HIS A 34 17.160 -6.595 -10.466 1.00 22.54 H new ATOM 0 HE2 HIS A 34 18.903 -6.909 -8.605 1.00 22.32 H new ATOM 451 N SER A 35 12.215 -6.849 -4.607 1.00 72.23 N ATOM 452 CA SER A 35 11.129 -7.374 -3.812 1.00 44.34 C ATOM 453 C SER A 35 9.805 -7.356 -4.600 1.00 10.50 C ATOM 454 O SER A 35 9.687 -6.689 -5.637 1.00 43.55 O ATOM 455 CB SER A 35 11.039 -6.631 -2.489 1.00 3.52 C ATOM 456 OG SER A 35 10.717 -5.258 -2.551 1.00 70.41 O ATOM 0 H SER A 35 12.619 -5.980 -4.258 1.00 72.23 H new ATOM 0 HA SER A 35 11.331 -8.420 -3.580 1.00 44.34 H new ATOM 0 HB2 SER A 35 10.291 -7.128 -1.871 1.00 3.52 H new ATOM 0 HB3 SER A 35 11.996 -6.733 -1.976 1.00 3.52 H new ATOM 0 HG SER A 35 10.530 -4.925 -1.649 1.00 70.41 H new ATOM 461 N THR A 36 8.791 -8.002 -4.035 1.00 43.52 N ATOM 462 CA THR A 36 7.457 -8.226 -4.593 1.00 51.33 C ATOM 463 C THR A 36 6.385 -7.528 -3.766 1.00 11.40 C ATOM 464 O THR A 36 6.533 -7.356 -2.551 1.00 22.43 O ATOM 465 CB THR A 36 7.165 -9.745 -4.683 1.00 22.43 C ATOM 466 OG1 THR A 36 7.834 -10.487 -3.675 1.00 50.54 O ATOM 467 CG2 THR A 36 7.576 -10.278 -6.044 1.00 65.02 C ATOM 0 H THR A 36 8.884 -8.414 -3.107 1.00 43.52 H new ATOM 0 HA THR A 36 7.434 -7.799 -5.596 1.00 51.33 H new ATOM 0 HB THR A 36 6.092 -9.868 -4.535 1.00 22.43 H new ATOM 0 HG1 THR A 36 7.618 -11.438 -3.771 1.00 50.54 H new ATOM 0 HG21 THR A 36 7.366 -11.346 -6.095 1.00 65.02 H new ATOM 0 HG22 THR A 36 7.015 -9.760 -6.822 1.00 65.02 H new ATOM 0 HG23 THR A 36 8.643 -10.110 -6.193 1.00 65.02 H new ATOM 475 N MET A 37 5.270 -7.151 -4.402 1.00 64.24 N ATOM 476 CA MET A 37 4.176 -6.463 -3.716 1.00 61.44 C ATOM 477 C MET A 37 3.473 -7.409 -2.734 1.00 41.55 C ATOM 478 O MET A 37 2.864 -6.968 -1.763 1.00 24.42 O ATOM 479 CB MET A 37 3.190 -5.879 -4.744 1.00 13.12 C ATOM 480 CG MET A 37 1.972 -6.772 -5.039 1.00 41.25 C ATOM 481 SD MET A 37 0.992 -6.356 -6.501 1.00 3.33 S ATOM 482 CE MET A 37 1.082 -4.550 -6.519 1.00 64.13 C ATOM 0 H MET A 37 5.103 -7.313 -5.395 1.00 64.24 H new ATOM 0 HA MET A 37 4.586 -5.636 -3.136 1.00 61.44 H new ATOM 0 HB2 MET A 37 2.837 -4.913 -4.382 1.00 13.12 H new ATOM 0 HB3 MET A 37 3.724 -5.695 -5.676 1.00 13.12 H new ATOM 0 HG2 MET A 37 2.321 -7.799 -5.145 1.00 41.25 H new ATOM 0 HG3 MET A 37 1.314 -6.747 -4.170 1.00 41.25 H new ATOM 0 HE1 MET A 37 0.174 -4.145 -6.966 1.00 64.13 H new ATOM 0 HE2 MET A 37 1.180 -4.180 -5.498 1.00 64.13 H new ATOM 0 HE3 MET A 37 1.946 -4.235 -7.104 1.00 64.13 H new ATOM 490 N ASP A 38 3.551 -8.715 -2.996 1.00 50.54 N ATOM 491 CA ASP A 38 2.778 -9.736 -2.293 1.00 51.24 C ATOM 492 C ASP A 38 3.229 -9.911 -0.848 1.00 42.53 C ATOM 493 O ASP A 38 2.495 -10.409 0.002 1.00 71.31 O ATOM 494 CB ASP A 38 2.960 -11.062 -3.021 1.00 10.53 C ATOM 495 CG ASP A 38 1.787 -12.018 -2.816 1.00 25.33 C ATOM 496 OD1 ASP A 38 0.751 -11.657 -2.214 1.00 4.14 O ATOM 497 OD2 ASP A 38 1.883 -13.151 -3.327 1.00 43.24 O ATOM 0 H ASP A 38 4.164 -9.098 -3.716 1.00 50.54 H new ATOM 0 HA ASP A 38 1.735 -9.420 -2.281 1.00 51.24 H new ATOM 0 HB2 ASP A 38 3.085 -10.871 -4.087 1.00 10.53 H new ATOM 0 HB3 ASP A 38 3.876 -11.539 -2.673 1.00 10.53 H new ATOM 501 N SER A 39 4.444 -9.446 -0.554 1.00 14.52 N ATOM 502 CA SER A 39 4.928 -9.324 0.813 1.00 1.10 C ATOM 503 C SER A 39 3.940 -8.542 1.681 1.00 62.11 C ATOM 504 O SER A 39 3.620 -8.979 2.787 1.00 52.52 O ATOM 505 CB SER A 39 6.340 -8.738 0.850 1.00 1.32 C ATOM 506 OG SER A 39 6.488 -7.533 0.115 1.00 22.44 O ATOM 0 H SER A 39 5.116 -9.145 -1.259 1.00 14.52 H new ATOM 0 HA SER A 39 4.996 -10.324 1.242 1.00 1.10 H new ATOM 0 HB2 SER A 39 6.618 -8.554 1.888 1.00 1.32 H new ATOM 0 HB3 SER A 39 7.039 -9.477 0.459 1.00 1.32 H new ATOM 0 HG SER A 39 6.619 -7.742 -0.833 1.00 22.44 H new ATOM 511 N ILE A 40 3.438 -7.416 1.168 1.00 31.23 N ATOM 512 CA ILE A 40 2.476 -6.566 1.844 1.00 13.14 C ATOM 513 C ILE A 40 1.155 -7.339 1.972 1.00 52.14 C ATOM 514 O ILE A 40 0.654 -7.536 3.078 1.00 54.15 O ATOM 515 CB ILE A 40 2.336 -5.216 1.090 1.00 72.25 C ATOM 516 CG1 ILE A 40 3.675 -4.437 0.958 1.00 62.12 C ATOM 517 CG2 ILE A 40 1.322 -4.304 1.795 1.00 53.51 C ATOM 518 CD1 ILE A 40 4.481 -4.705 -0.325 1.00 64.12 C ATOM 0 H ILE A 40 3.701 -7.068 0.246 1.00 31.23 H new ATOM 0 HA ILE A 40 2.809 -6.311 2.850 1.00 13.14 H new ATOM 0 HB ILE A 40 1.997 -5.479 0.088 1.00 72.25 H new ATOM 0 HG12 ILE A 40 3.460 -3.370 1.013 1.00 62.12 H new ATOM 0 HG13 ILE A 40 4.302 -4.681 1.816 1.00 62.12 H new ATOM 0 HG21 ILE A 40 1.239 -3.363 1.251 1.00 53.51 H new ATOM 0 HG22 ILE A 40 0.349 -4.795 1.823 1.00 53.51 H new ATOM 0 HG23 ILE A 40 1.657 -4.106 2.813 1.00 53.51 H new ATOM 0 HD11 ILE A 40 5.394 -4.110 -0.312 1.00 64.12 H new ATOM 0 HD12 ILE A 40 4.738 -5.763 -0.379 1.00 64.12 H new ATOM 0 HD13 ILE A 40 3.883 -4.432 -1.194 1.00 64.12 H new ATOM 529 N LEU A 41 0.587 -7.772 0.842 1.00 61.42 N ATOM 530 CA LEU A 41 -0.739 -8.385 0.793 1.00 23.24 C ATOM 531 C LEU A 41 -0.809 -9.586 1.729 1.00 11.21 C ATOM 532 O LEU A 41 -1.643 -9.620 2.632 1.00 53.23 O ATOM 533 CB LEU A 41 -1.109 -8.782 -0.643 1.00 23.44 C ATOM 534 CG LEU A 41 -1.269 -7.577 -1.586 1.00 62.22 C ATOM 535 CD1 LEU A 41 -1.587 -8.075 -2.992 1.00 41.42 C ATOM 536 CD2 LEU A 41 -2.375 -6.613 -1.133 1.00 41.14 C ATOM 0 H LEU A 41 1.040 -7.705 -0.070 1.00 61.42 H new ATOM 0 HA LEU A 41 -1.468 -7.648 1.131 1.00 23.24 H new ATOM 0 HB2 LEU A 41 -0.339 -9.445 -1.039 1.00 23.44 H new ATOM 0 HB3 LEU A 41 -2.040 -9.348 -0.627 1.00 23.44 H new ATOM 0 HG LEU A 41 -0.328 -7.027 -1.570 1.00 62.22 H new ATOM 0 HD11 LEU A 41 -1.701 -7.223 -3.663 1.00 41.42 H new ATOM 0 HD12 LEU A 41 -0.774 -8.709 -3.346 1.00 41.42 H new ATOM 0 HD13 LEU A 41 -2.513 -8.649 -2.974 1.00 41.42 H new ATOM 0 HD21 LEU A 41 -2.443 -5.782 -1.835 1.00 41.14 H new ATOM 0 HD22 LEU A 41 -3.328 -7.141 -1.102 1.00 41.14 H new ATOM 0 HD23 LEU A 41 -2.140 -6.230 -0.140 1.00 41.14 H new ATOM 547 N GLY A 42 0.108 -10.534 1.549 1.00 3.20 N ATOM 548 CA GLY A 42 0.198 -11.759 2.322 1.00 12.30 C ATOM 549 C GLY A 42 0.690 -11.579 3.756 1.00 2.51 C ATOM 550 O GLY A 42 1.005 -12.582 4.394 1.00 70.43 O ATOM 0 H GLY A 42 0.832 -10.463 0.834 1.00 3.20 H new ATOM 0 HA2 GLY A 42 -0.785 -12.229 2.347 1.00 12.30 H new ATOM 0 HA3 GLY A 42 0.868 -12.448 1.807 1.00 12.30 H new ATOM 554 N ALA A 43 0.787 -10.352 4.276 1.00 45.25 N ATOM 555 CA ALA A 43 0.970 -10.091 5.699 1.00 23.10 C ATOM 556 C ALA A 43 -0.265 -9.428 6.305 1.00 70.25 C ATOM 557 O ALA A 43 -0.641 -9.793 7.419 1.00 52.55 O ATOM 558 CB ALA A 43 2.229 -9.257 5.943 1.00 74.34 C ATOM 0 H ALA A 43 0.740 -9.505 3.710 1.00 45.25 H new ATOM 0 HA ALA A 43 1.103 -11.049 6.201 1.00 23.10 H new ATOM 0 HB1 ALA A 43 2.344 -9.076 7.012 1.00 74.34 H new ATOM 0 HB2 ALA A 43 3.100 -9.796 5.571 1.00 74.34 H new ATOM 0 HB3 ALA A 43 2.141 -8.304 5.421 1.00 74.34 H new ATOM 564 N LEU A 44 -0.900 -8.477 5.606 1.00 74.14 N ATOM 565 CA LEU A 44 -1.933 -7.640 6.223 1.00 51.44 C ATOM 566 C LEU A 44 -3.354 -8.029 5.825 1.00 62.22 C ATOM 567 O LEU A 44 -4.286 -7.439 6.370 1.00 70.14 O ATOM 568 CB LEU A 44 -1.713 -6.137 5.947 1.00 31.10 C ATOM 569 CG LEU A 44 -0.440 -5.460 6.498 1.00 42.25 C ATOM 570 CD1 LEU A 44 0.032 -6.030 7.837 1.00 41.42 C ATOM 571 CD2 LEU A 44 0.714 -5.479 5.497 1.00 5.20 C ATOM 0 H LEU A 44 -0.718 -8.271 4.624 1.00 74.14 H new ATOM 0 HA LEU A 44 -1.829 -7.823 7.292 1.00 51.44 H new ATOM 0 HB2 LEU A 44 -1.721 -5.995 4.866 1.00 31.10 H new ATOM 0 HB3 LEU A 44 -2.573 -5.599 6.346 1.00 31.10 H new ATOM 0 HG LEU A 44 -0.740 -4.426 6.670 1.00 42.25 H new ATOM 0 HD11 LEU A 44 0.931 -5.504 8.160 1.00 41.42 H new ATOM 0 HD12 LEU A 44 -0.752 -5.901 8.584 1.00 41.42 H new ATOM 0 HD13 LEU A 44 0.254 -7.091 7.723 1.00 41.42 H new ATOM 0 HD21 LEU A 44 1.584 -4.990 5.935 1.00 5.20 H new ATOM 0 HD22 LEU A 44 0.964 -6.511 5.249 1.00 5.20 H new ATOM 0 HD23 LEU A 44 0.419 -4.950 4.591 1.00 5.20 H new ATOM 582 N ALA A 45 -3.557 -8.979 4.902 1.00 45.51 N ATOM 583 CA ALA A 45 -4.890 -9.312 4.403 1.00 25.42 C ATOM 584 C ALA A 45 -5.943 -9.516 5.515 1.00 62.35 C ATOM 585 O ALA A 45 -6.930 -8.778 5.497 1.00 65.22 O ATOM 586 CB ALA A 45 -4.846 -10.470 3.405 1.00 43.15 C ATOM 0 H ALA A 45 -2.807 -9.531 4.486 1.00 45.51 H new ATOM 0 HA ALA A 45 -5.235 -8.432 3.860 1.00 25.42 H new ATOM 0 HB1 ALA A 45 -5.855 -10.688 3.056 1.00 43.15 H new ATOM 0 HB2 ALA A 45 -4.220 -10.195 2.556 1.00 43.15 H new ATOM 0 HB3 ALA A 45 -4.431 -11.353 3.890 1.00 43.15 H new ATOM 592 N PRO A 46 -5.762 -10.420 6.504 1.00 62.25 N ATOM 593 CA PRO A 46 -6.750 -10.645 7.564 1.00 31.22 C ATOM 594 C PRO A 46 -6.880 -9.487 8.567 1.00 4.22 C ATOM 595 O PRO A 46 -7.694 -9.571 9.493 1.00 13.32 O ATOM 596 CB PRO A 46 -6.305 -11.938 8.262 1.00 10.22 C ATOM 597 CG PRO A 46 -4.797 -11.965 8.045 1.00 12.43 C ATOM 598 CD PRO A 46 -4.658 -11.365 6.652 1.00 44.12 C ATOM 0 HA PRO A 46 -7.747 -10.718 7.129 1.00 31.22 H new ATOM 0 HB2 PRO A 46 -6.557 -11.928 9.322 1.00 10.22 H new ATOM 0 HB3 PRO A 46 -6.788 -12.814 7.828 1.00 10.22 H new ATOM 0 HG2 PRO A 46 -4.268 -11.378 8.795 1.00 12.43 H new ATOM 0 HG3 PRO A 46 -4.397 -12.978 8.093 1.00 12.43 H new ATOM 0 HD2 PRO A 46 -3.697 -10.862 6.539 1.00 44.12 H new ATOM 0 HD3 PRO A 46 -4.704 -12.141 5.888 1.00 44.12 H new ATOM 603 N TYR A 47 -6.092 -8.421 8.431 1.00 70.11 N ATOM 604 CA TYR A 47 -6.060 -7.273 9.337 1.00 13.14 C ATOM 605 C TYR A 47 -6.498 -5.999 8.612 1.00 73.12 C ATOM 606 O TYR A 47 -6.384 -4.905 9.164 1.00 71.34 O ATOM 607 CB TYR A 47 -4.655 -7.138 9.945 1.00 45.44 C ATOM 608 CG TYR A 47 -4.021 -8.429 10.447 1.00 24.22 C ATOM 609 CD1 TYR A 47 -4.789 -9.372 11.157 1.00 24.13 C ATOM 610 CD2 TYR A 47 -2.667 -8.709 10.171 1.00 52.22 C ATOM 611 CE1 TYR A 47 -4.227 -10.588 11.576 1.00 44.51 C ATOM 612 CE2 TYR A 47 -2.088 -9.916 10.600 1.00 71.01 C ATOM 613 CZ TYR A 47 -2.873 -10.861 11.297 1.00 22.21 C ATOM 614 OH TYR A 47 -2.319 -12.029 11.712 1.00 14.32 O ATOM 0 H TYR A 47 -5.433 -8.330 7.657 1.00 70.11 H new ATOM 0 HA TYR A 47 -6.767 -7.431 10.151 1.00 13.14 H new ATOM 0 HB2 TYR A 47 -3.996 -6.700 9.195 1.00 45.44 H new ATOM 0 HB3 TYR A 47 -4.706 -6.434 10.775 1.00 45.44 H new ATOM 0 HD1 TYR A 47 -5.823 -9.157 11.382 1.00 24.13 H new ATOM 0 HD2 TYR A 47 -2.071 -7.992 9.627 1.00 52.22 H new ATOM 0 HE1 TYR A 47 -4.828 -11.310 12.109 1.00 44.51 H new ATOM 0 HE2 TYR A 47 -1.047 -10.120 10.397 1.00 71.01 H new ATOM 0 HH TYR A 47 -1.379 -12.061 11.438 1.00 14.32 H new ATOM 623 N ALA A 48 -6.950 -6.123 7.361 1.00 45.14 N ATOM 624 CA ALA A 48 -7.318 -5.018 6.494 1.00 34.01 C ATOM 625 C ALA A 48 -8.399 -5.460 5.504 1.00 24.12 C ATOM 626 O ALA A 48 -8.865 -6.606 5.525 1.00 54.44 O ATOM 627 CB ALA A 48 -6.057 -4.509 5.782 1.00 41.14 C ATOM 0 H ALA A 48 -7.071 -7.032 6.915 1.00 45.14 H new ATOM 0 HA ALA A 48 -7.738 -4.200 7.079 1.00 34.01 H new ATOM 0 HB1 ALA A 48 -6.319 -3.678 5.127 1.00 41.14 H new ATOM 0 HB2 ALA A 48 -5.332 -4.172 6.523 1.00 41.14 H new ATOM 0 HB3 ALA A 48 -5.623 -5.315 5.190 1.00 41.14 H new ATOM 633 N VAL A 49 -8.782 -4.544 4.620 1.00 10.10 N ATOM 634 CA VAL A 49 -9.670 -4.770 3.501 1.00 73.24 C ATOM 635 C VAL A 49 -9.127 -3.998 2.290 1.00 24.24 C ATOM 636 O VAL A 49 -9.572 -2.901 1.964 1.00 3.40 O ATOM 637 CB VAL A 49 -11.110 -4.475 3.947 1.00 4.21 C ATOM 638 CG1 VAL A 49 -11.326 -3.110 4.607 1.00 4.11 C ATOM 639 CG2 VAL A 49 -12.092 -4.690 2.797 1.00 11.43 C ATOM 0 H VAL A 49 -8.461 -3.577 4.674 1.00 10.10 H new ATOM 0 HA VAL A 49 -9.707 -5.807 3.166 1.00 73.24 H new ATOM 0 HB VAL A 49 -11.309 -5.197 4.739 1.00 4.21 H new ATOM 0 HG11 VAL A 49 -12.375 -3.002 4.884 1.00 4.11 H new ATOM 0 HG12 VAL A 49 -10.705 -3.035 5.500 1.00 4.11 H new ATOM 0 HG13 VAL A 49 -11.052 -2.320 3.908 1.00 4.11 H new ATOM 0 HG21 VAL A 49 -13.105 -4.475 3.138 1.00 11.43 H new ATOM 0 HG22 VAL A 49 -11.838 -4.024 1.972 1.00 11.43 H new ATOM 0 HG23 VAL A 49 -12.035 -5.725 2.459 1.00 11.43 H new ATOM 649 N LEU A 50 -8.097 -4.556 1.651 1.00 30.01 N ATOM 650 CA LEU A 50 -7.398 -3.948 0.517 1.00 14.42 C ATOM 651 C LEU A 50 -6.989 -4.972 -0.546 1.00 45.55 C ATOM 652 O LEU A 50 -7.156 -6.178 -0.359 1.00 50.42 O ATOM 653 CB LEU A 50 -6.204 -3.101 0.998 1.00 2.14 C ATOM 654 CG LEU A 50 -5.140 -3.718 1.926 1.00 41.44 C ATOM 655 CD1 LEU A 50 -4.540 -5.038 1.440 1.00 30.30 C ATOM 656 CD2 LEU A 50 -3.993 -2.703 2.036 1.00 51.42 C ATOM 0 H LEU A 50 -7.717 -5.465 1.914 1.00 30.01 H new ATOM 0 HA LEU A 50 -8.105 -3.279 0.026 1.00 14.42 H new ATOM 0 HB2 LEU A 50 -5.687 -2.738 0.110 1.00 2.14 H new ATOM 0 HB3 LEU A 50 -6.612 -2.229 1.509 1.00 2.14 H new ATOM 0 HG LEU A 50 -5.639 -3.939 2.870 1.00 41.44 H new ATOM 0 HD11 LEU A 50 -3.803 -5.390 2.161 1.00 30.30 H new ATOM 0 HD12 LEU A 50 -5.331 -5.781 1.337 1.00 30.30 H new ATOM 0 HD13 LEU A 50 -4.058 -4.885 0.474 1.00 30.30 H new ATOM 0 HD21 LEU A 50 -3.215 -3.102 2.687 1.00 51.42 H new ATOM 0 HD22 LEU A 50 -3.577 -2.515 1.046 1.00 51.42 H new ATOM 0 HD23 LEU A 50 -4.372 -1.770 2.453 1.00 51.42 H new ATOM 667 N SER A 51 -6.452 -4.490 -1.672 1.00 14.33 N ATOM 668 CA SER A 51 -6.005 -5.304 -2.796 1.00 61.22 C ATOM 669 C SER A 51 -4.799 -4.655 -3.493 1.00 42.41 C ATOM 670 O SER A 51 -4.315 -3.598 -3.079 1.00 25.23 O ATOM 671 CB SER A 51 -7.186 -5.486 -3.759 1.00 32.32 C ATOM 672 OG SER A 51 -7.588 -4.234 -4.301 1.00 3.13 O ATOM 0 H SER A 51 -6.314 -3.491 -1.826 1.00 14.33 H new ATOM 0 HA SER A 51 -5.675 -6.281 -2.444 1.00 61.22 H new ATOM 0 HB2 SER A 51 -6.904 -6.163 -4.565 1.00 32.32 H new ATOM 0 HB3 SER A 51 -8.023 -5.946 -3.234 1.00 32.32 H new ATOM 0 HG SER A 51 -8.341 -4.369 -4.914 1.00 3.13 H new ATOM 677 N SER A 52 -4.344 -5.246 -4.594 1.00 52.52 N ATOM 678 CA SER A 52 -3.274 -4.805 -5.483 1.00 2.14 C ATOM 679 C SER A 52 -3.492 -3.434 -6.160 1.00 73.02 C ATOM 680 O SER A 52 -2.613 -2.968 -6.892 1.00 73.22 O ATOM 681 CB SER A 52 -3.053 -5.927 -6.509 1.00 33.10 C ATOM 682 OG SER A 52 -4.283 -6.336 -7.090 1.00 71.24 O ATOM 0 H SER A 52 -4.751 -6.124 -4.915 1.00 52.52 H new ATOM 0 HA SER A 52 -2.385 -4.629 -4.878 1.00 2.14 H new ATOM 0 HB2 SER A 52 -2.375 -5.582 -7.290 1.00 33.10 H new ATOM 0 HB3 SER A 52 -2.575 -6.778 -6.025 1.00 33.10 H new ATOM 0 HG SER A 52 -4.116 -7.050 -7.741 1.00 71.24 H new ATOM 687 N SER A 53 -4.627 -2.762 -5.940 1.00 1.24 N ATOM 688 CA SER A 53 -4.788 -1.343 -6.250 1.00 71.11 C ATOM 689 C SER A 53 -4.225 -0.448 -5.140 1.00 11.24 C ATOM 690 O SER A 53 -3.699 0.627 -5.424 1.00 63.23 O ATOM 691 CB SER A 53 -6.273 -1.034 -6.453 1.00 41.23 C ATOM 692 OG SER A 53 -6.678 -1.441 -7.747 1.00 61.24 O ATOM 0 H SER A 53 -5.461 -3.191 -5.540 1.00 1.24 H new ATOM 0 HA SER A 53 -4.229 -1.133 -7.162 1.00 71.11 H new ATOM 0 HB2 SER A 53 -6.867 -1.549 -5.698 1.00 41.23 H new ATOM 0 HB3 SER A 53 -6.452 0.034 -6.326 1.00 41.23 H new ATOM 0 HG SER A 53 -7.630 -1.242 -7.870 1.00 61.24 H new ATOM 697 N ASN A 54 -4.367 -0.865 -3.881 1.00 64.31 N ATOM 698 CA ASN A 54 -3.951 -0.096 -2.711 1.00 22.12 C ATOM 699 C ASN A 54 -2.437 -0.076 -2.599 1.00 30.20 C ATOM 700 O ASN A 54 -1.855 0.970 -2.330 1.00 71.01 O ATOM 701 CB ASN A 54 -4.490 -0.709 -1.411 1.00 13.13 C ATOM 702 CG ASN A 54 -6.004 -0.664 -1.317 1.00 71.23 C ATOM 703 OD1 ASN A 54 -6.689 -1.330 -2.090 1.00 31.41 O ATOM 704 ND2 ASN A 54 -6.540 0.062 -0.359 1.00 45.53 N ATOM 0 H ASN A 54 -4.783 -1.765 -3.643 1.00 64.31 H new ATOM 0 HA ASN A 54 -4.349 0.910 -2.843 1.00 22.12 H new ATOM 0 HB2 ASN A 54 -4.158 -1.745 -1.339 1.00 13.13 H new ATOM 0 HB3 ASN A 54 -4.063 -0.177 -0.561 1.00 13.13 H new ATOM 0 HD21 ASN A 54 -7.553 0.083 -0.241 1.00 45.53 H new ATOM 0 HD22 ASN A 54 -5.942 0.603 0.266 1.00 45.53 H new ATOM 710 N VAL A 55 -1.806 -1.244 -2.727 1.00 64.24 N ATOM 711 CA VAL A 55 -0.357 -1.398 -2.621 1.00 54.41 C ATOM 712 C VAL A 55 0.302 -0.919 -3.924 1.00 32.31 C ATOM 713 O VAL A 55 -0.178 -1.213 -5.024 1.00 50.23 O ATOM 714 CB VAL A 55 -0.022 -2.860 -2.241 1.00 30.04 C ATOM 715 CG1 VAL A 55 -0.698 -3.902 -3.135 1.00 64.41 C ATOM 716 CG2 VAL A 55 1.490 -3.114 -2.179 1.00 11.34 C ATOM 0 H VAL A 55 -2.295 -2.120 -2.910 1.00 64.24 H new ATOM 0 HA VAL A 55 0.052 -0.775 -1.825 1.00 54.41 H new ATOM 0 HB VAL A 55 -0.437 -2.985 -1.241 1.00 30.04 H new ATOM 0 HG11 VAL A 55 -0.415 -4.902 -2.806 1.00 64.41 H new ATOM 0 HG12 VAL A 55 -1.780 -3.791 -3.069 1.00 64.41 H new ATOM 0 HG13 VAL A 55 -0.381 -3.756 -4.168 1.00 64.41 H new ATOM 0 HG21 VAL A 55 1.673 -4.154 -1.909 1.00 11.34 H new ATOM 0 HG22 VAL A 55 1.934 -2.909 -3.153 1.00 11.34 H new ATOM 0 HG23 VAL A 55 1.938 -2.460 -1.431 1.00 11.34 H new ATOM 726 N ARG A 56 1.428 -0.210 -3.821 1.00 71.14 N ATOM 727 CA ARG A 56 2.203 0.263 -4.962 1.00 31.10 C ATOM 728 C ARG A 56 3.670 0.232 -4.578 1.00 21.34 C ATOM 729 O ARG A 56 4.002 0.627 -3.465 1.00 54.42 O ATOM 730 CB ARG A 56 1.740 1.693 -5.309 1.00 30.34 C ATOM 731 CG ARG A 56 2.016 2.086 -6.767 1.00 63.04 C ATOM 732 CD ARG A 56 1.010 1.449 -7.736 1.00 62.33 C ATOM 733 NE ARG A 56 -0.341 2.023 -7.591 1.00 62.11 N ATOM 734 CZ ARG A 56 -1.429 1.627 -8.259 1.00 11.23 C ATOM 735 NH1 ARG A 56 -1.422 0.489 -8.932 1.00 74.41 N ATOM 736 NH2 ARG A 56 -2.522 2.376 -8.247 1.00 41.11 N ATOM 0 H ARG A 56 1.832 0.055 -2.923 1.00 71.14 H new ATOM 0 HA ARG A 56 2.056 -0.367 -5.839 1.00 31.10 H new ATOM 0 HB2 ARG A 56 0.671 1.778 -5.114 1.00 30.34 H new ATOM 0 HB3 ARG A 56 2.242 2.400 -4.649 1.00 30.34 H new ATOM 0 HG2 ARG A 56 1.975 3.171 -6.864 1.00 63.04 H new ATOM 0 HG3 ARG A 56 3.026 1.780 -7.040 1.00 63.04 H new ATOM 0 HD2 ARG A 56 1.355 1.590 -8.760 1.00 62.33 H new ATOM 0 HD3 ARG A 56 0.968 0.374 -7.559 1.00 62.33 H new ATOM 0 HE ARG A 56 -0.455 2.787 -6.925 1.00 62.11 H new ATOM 0 HH11 ARG A 56 -0.584 -0.092 -8.943 1.00 74.41 H new ATOM 0 HH12 ARG A 56 -2.255 0.192 -9.440 1.00 74.41 H new ATOM 0 HH21 ARG A 56 -2.533 3.254 -7.728 1.00 41.11 H new ATOM 0 HH22 ARG A 56 -3.353 2.074 -8.757 1.00 41.11 H new ATOM 747 N VAL A 57 4.555 -0.192 -5.475 1.00 73.12 N ATOM 748 CA VAL A 57 5.991 -0.179 -5.242 1.00 64.34 C ATOM 749 C VAL A 57 6.619 0.680 -6.329 1.00 23.04 C ATOM 750 O VAL A 57 6.542 0.358 -7.515 1.00 32.01 O ATOM 751 CB VAL A 57 6.538 -1.604 -5.046 1.00 51.31 C ATOM 752 CG1 VAL A 57 6.247 -2.575 -6.188 1.00 13.50 C ATOM 753 CG2 VAL A 57 8.040 -1.589 -4.755 1.00 41.25 C ATOM 0 H VAL A 57 4.291 -0.557 -6.390 1.00 73.12 H new ATOM 0 HA VAL A 57 6.268 0.289 -4.297 1.00 64.34 H new ATOM 0 HB VAL A 57 5.989 -1.982 -4.183 1.00 51.31 H new ATOM 0 HG11 VAL A 57 6.673 -3.550 -5.954 1.00 13.50 H new ATOM 0 HG12 VAL A 57 5.169 -2.672 -6.317 1.00 13.50 H new ATOM 0 HG13 VAL A 57 6.690 -2.197 -7.109 1.00 13.50 H new ATOM 0 HG21 VAL A 57 8.395 -2.611 -4.622 1.00 41.25 H new ATOM 0 HG22 VAL A 57 8.568 -1.128 -5.590 1.00 41.25 H new ATOM 0 HG23 VAL A 57 8.229 -1.018 -3.846 1.00 41.25 H new ATOM 763 N ILE A 58 7.101 1.851 -5.917 1.00 15.14 N ATOM 764 CA ILE A 58 7.682 2.853 -6.794 1.00 40.25 C ATOM 765 C ILE A 58 9.096 2.398 -7.150 1.00 2.44 C ATOM 766 O ILE A 58 9.862 1.959 -6.284 1.00 40.01 O ATOM 767 CB ILE A 58 7.662 4.235 -6.096 1.00 54.45 C ATOM 768 CG1 ILE A 58 6.301 4.598 -5.448 1.00 24.13 C ATOM 769 CG2 ILE A 58 8.092 5.361 -7.053 1.00 0.14 C ATOM 770 CD1 ILE A 58 5.101 4.607 -6.405 1.00 31.14 C ATOM 0 H ILE A 58 7.096 2.132 -4.936 1.00 15.14 H new ATOM 0 HA ILE A 58 7.107 2.959 -7.714 1.00 40.25 H new ATOM 0 HB ILE A 58 8.386 4.144 -5.286 1.00 54.45 H new ATOM 0 HG12 ILE A 58 6.099 3.889 -4.645 1.00 24.13 H new ATOM 0 HG13 ILE A 58 6.387 5.583 -4.990 1.00 24.13 H new ATOM 0 HG21 ILE A 58 8.065 6.315 -6.527 1.00 0.14 H new ATOM 0 HG22 ILE A 58 9.105 5.170 -7.408 1.00 0.14 H new ATOM 0 HG23 ILE A 58 7.411 5.396 -7.903 1.00 0.14 H new ATOM 0 HD11 ILE A 58 4.198 4.872 -5.854 1.00 31.14 H new ATOM 0 HD12 ILE A 58 5.272 5.338 -7.196 1.00 31.14 H new ATOM 0 HD13 ILE A 58 4.980 3.617 -6.846 1.00 31.14 H new ATOM 781 N LYS A 59 9.436 2.504 -8.433 1.00 2.44 N ATOM 782 CA LYS A 59 10.755 2.158 -8.932 1.00 1.01 C ATOM 783 C LYS A 59 11.633 3.400 -8.943 1.00 35.51 C ATOM 784 O LYS A 59 11.166 4.530 -8.778 1.00 75.51 O ATOM 785 CB LYS A 59 10.668 1.503 -10.322 1.00 62.35 C ATOM 786 CG LYS A 59 9.839 0.209 -10.293 1.00 62.43 C ATOM 787 CD LYS A 59 9.803 -0.520 -11.646 1.00 4.00 C ATOM 788 CE LYS A 59 9.095 0.298 -12.731 1.00 20.20 C ATOM 789 NZ LYS A 59 8.863 -0.494 -13.956 1.00 3.12 N ATOM 0 H LYS A 59 8.797 2.835 -9.156 1.00 2.44 H new ATOM 0 HA LYS A 59 11.209 1.422 -8.269 1.00 1.01 H new ATOM 0 HB2 LYS A 59 10.222 2.205 -11.027 1.00 62.35 H new ATOM 0 HB3 LYS A 59 11.672 1.283 -10.684 1.00 62.35 H new ATOM 0 HG2 LYS A 59 10.250 -0.461 -9.538 1.00 62.43 H new ATOM 0 HG3 LYS A 59 8.820 0.445 -9.988 1.00 62.43 H new ATOM 0 HD2 LYS A 59 10.822 -0.738 -11.966 1.00 4.00 H new ATOM 0 HD3 LYS A 59 9.295 -1.477 -11.527 1.00 4.00 H new ATOM 0 HE2 LYS A 59 8.141 0.661 -12.348 1.00 20.20 H new ATOM 0 HE3 LYS A 59 9.695 1.175 -12.974 1.00 20.20 H new ATOM 0 HZ1 LYS A 59 8.382 0.096 -14.665 1.00 3.12 H new ATOM 0 HZ2 LYS A 59 9.774 -0.819 -14.337 1.00 3.12 H new ATOM 0 HZ3 LYS A 59 8.269 -1.317 -13.730 1.00 3.12 H new ATOM 799 N ASP A 60 12.926 3.183 -9.115 1.00 24.44 N ATOM 800 CA ASP A 60 13.907 4.234 -9.294 1.00 63.12 C ATOM 801 C ASP A 60 13.798 4.810 -10.704 1.00 22.32 C ATOM 802 O ASP A 60 13.078 4.278 -11.547 1.00 23.51 O ATOM 803 CB ASP A 60 15.287 3.637 -9.007 1.00 24.10 C ATOM 804 CG ASP A 60 16.405 4.670 -9.040 1.00 72.53 C ATOM 805 OD1 ASP A 60 16.153 5.856 -8.717 1.00 2.10 O ATOM 806 OD2 ASP A 60 17.523 4.283 -9.439 1.00 54.21 O ATOM 0 H ASP A 60 13.330 2.247 -9.134 1.00 24.44 H new ATOM 0 HA ASP A 60 13.735 5.062 -8.607 1.00 63.12 H new ATOM 0 HB2 ASP A 60 15.272 3.158 -8.028 1.00 24.10 H new ATOM 0 HB3 ASP A 60 15.499 2.858 -9.740 1.00 24.10 H new ATOM 810 N LYS A 61 14.504 5.905 -10.966 1.00 52.13 N ATOM 811 CA LYS A 61 14.599 6.551 -12.255 1.00 62.32 C ATOM 812 C LYS A 61 16.031 6.473 -12.780 1.00 12.22 C ATOM 813 O LYS A 61 16.227 6.522 -13.993 1.00 11.13 O ATOM 814 CB LYS A 61 14.115 7.986 -12.048 1.00 24.54 C ATOM 815 CG LYS A 61 14.147 8.865 -13.295 1.00 33.30 C ATOM 816 CD LYS A 61 13.367 8.271 -14.476 1.00 71.52 C ATOM 817 CE LYS A 61 12.996 9.371 -15.474 1.00 33.50 C ATOM 818 NZ LYS A 61 12.342 8.836 -16.685 1.00 35.34 N ATOM 0 H LYS A 61 15.048 6.382 -10.247 1.00 52.13 H new ATOM 0 HA LYS A 61 13.984 6.063 -13.012 1.00 62.32 H new ATOM 0 HB2 LYS A 61 13.094 7.958 -11.668 1.00 24.54 H new ATOM 0 HB3 LYS A 61 14.729 8.453 -11.277 1.00 24.54 H new ATOM 0 HG2 LYS A 61 13.734 9.844 -13.052 1.00 33.30 H new ATOM 0 HG3 LYS A 61 15.183 9.021 -13.595 1.00 33.30 H new ATOM 0 HD2 LYS A 61 13.968 7.509 -14.971 1.00 71.52 H new ATOM 0 HD3 LYS A 61 12.464 7.779 -14.114 1.00 71.52 H new ATOM 0 HE2 LYS A 61 12.330 10.086 -14.991 1.00 33.50 H new ATOM 0 HE3 LYS A 61 13.895 9.916 -15.761 1.00 33.50 H new ATOM 0 HZ1 LYS A 61 12.110 9.619 -17.329 1.00 35.34 H new ATOM 0 HZ2 LYS A 61 12.985 8.173 -17.163 1.00 35.34 H new ATOM 0 HZ3 LYS A 61 11.469 8.339 -16.417 1.00 35.34 H new ATOM 828 N GLN A 62 17.039 6.335 -11.912 1.00 1.23 N ATOM 829 CA GLN A 62 18.400 6.055 -12.368 1.00 55.33 C ATOM 830 C GLN A 62 18.420 4.641 -12.938 1.00 71.15 C ATOM 831 O GLN A 62 18.872 4.409 -14.055 1.00 62.44 O ATOM 832 CB GLN A 62 19.442 6.270 -11.259 1.00 13.01 C ATOM 833 CG GLN A 62 19.155 7.566 -10.485 1.00 72.43 C ATOM 834 CD GLN A 62 20.356 8.174 -9.755 1.00 24.30 C ATOM 835 OE1 GLN A 62 20.267 8.525 -8.582 1.00 24.50 O ATOM 836 NE2 GLN A 62 21.479 8.379 -10.421 1.00 21.44 N ATOM 0 H GLN A 62 16.938 6.412 -10.900 1.00 1.23 H new ATOM 0 HA GLN A 62 18.684 6.761 -13.149 1.00 55.33 H new ATOM 0 HB2 GLN A 62 19.431 5.422 -10.574 1.00 13.01 H new ATOM 0 HB3 GLN A 62 20.440 6.315 -11.695 1.00 13.01 H new ATOM 0 HG2 GLN A 62 18.762 8.306 -11.182 1.00 72.43 H new ATOM 0 HG3 GLN A 62 18.370 7.367 -9.755 1.00 72.43 H new ATOM 0 HE21 GLN A 62 21.554 8.088 -11.396 1.00 21.44 H new ATOM 0 HE22 GLN A 62 22.270 8.828 -9.960 1.00 21.44 H new ATOM 843 N THR A 63 17.813 3.724 -12.201 1.00 73.14 N ATOM 844 CA THR A 63 17.668 2.318 -12.519 1.00 52.21 C ATOM 845 C THR A 63 16.179 2.016 -12.665 1.00 51.34 C ATOM 846 O THR A 63 15.356 2.932 -12.622 1.00 41.12 O ATOM 847 CB THR A 63 18.374 1.516 -11.419 1.00 0.34 C ATOM 848 OG1 THR A 63 17.809 1.732 -10.140 1.00 74.11 O ATOM 849 CG2 THR A 63 19.831 1.948 -11.345 1.00 4.23 C ATOM 0 H THR A 63 17.382 3.961 -11.308 1.00 73.14 H new ATOM 0 HA THR A 63 18.134 2.038 -13.464 1.00 52.21 H new ATOM 0 HB THR A 63 18.267 0.463 -11.677 1.00 0.34 H new ATOM 0 HG1 THR A 63 18.002 2.647 -9.848 1.00 74.11 H new ATOM 0 HG21 THR A 63 20.339 1.382 -10.565 1.00 4.23 H new ATOM 0 HG22 THR A 63 20.315 1.760 -12.303 1.00 4.23 H new ATOM 0 HG23 THR A 63 19.884 3.012 -11.114 1.00 4.23 H new ATOM 857 N GLN A 64 15.801 0.759 -12.863 1.00 73.42 N ATOM 858 CA GLN A 64 14.423 0.328 -13.071 1.00 2.32 C ATOM 859 C GLN A 64 14.069 -0.732 -12.019 1.00 1.31 C ATOM 860 O GLN A 64 13.388 -1.722 -12.296 1.00 12.43 O ATOM 861 CB GLN A 64 14.244 -0.140 -14.523 1.00 44.01 C ATOM 862 CG GLN A 64 14.666 0.888 -15.590 1.00 4.04 C ATOM 863 CD GLN A 64 13.702 2.058 -15.764 1.00 55.22 C ATOM 864 OE1 GLN A 64 13.016 2.137 -16.779 1.00 24.21 O ATOM 865 NE2 GLN A 64 13.648 3.024 -14.856 1.00 41.45 N ATOM 0 H GLN A 64 16.466 -0.014 -12.884 1.00 73.42 H new ATOM 0 HA GLN A 64 13.721 1.150 -12.933 1.00 2.32 H new ATOM 0 HB2 GLN A 64 14.822 -1.053 -14.670 1.00 44.01 H new ATOM 0 HB3 GLN A 64 13.197 -0.397 -14.681 1.00 44.01 H new ATOM 0 HG2 GLN A 64 15.649 1.280 -15.328 1.00 4.04 H new ATOM 0 HG3 GLN A 64 14.771 0.376 -16.547 1.00 4.04 H new ATOM 0 HE21 GLN A 64 14.216 2.962 -14.011 1.00 41.45 H new ATOM 0 HE22 GLN A 64 13.038 3.828 -15.003 1.00 41.45 H new ATOM 872 N LEU A 65 14.571 -0.525 -10.803 1.00 44.45 N ATOM 873 CA LEU A 65 14.486 -1.397 -9.637 1.00 12.14 C ATOM 874 C LEU A 65 13.592 -0.723 -8.608 1.00 42.01 C ATOM 875 O LEU A 65 13.325 0.472 -8.736 1.00 41.11 O ATOM 876 CB LEU A 65 15.886 -1.546 -9.026 1.00 74.35 C ATOM 877 CG LEU A 65 16.901 -2.271 -9.922 1.00 11.20 C ATOM 878 CD1 LEU A 65 18.302 -2.007 -9.379 1.00 53.04 C ATOM 879 CD2 LEU A 65 16.648 -3.779 -9.970 1.00 75.25 C ATOM 0 H LEU A 65 15.090 0.328 -10.593 1.00 44.45 H new ATOM 0 HA LEU A 65 14.091 -2.372 -9.921 1.00 12.14 H new ATOM 0 HB2 LEU A 65 16.273 -0.554 -8.790 1.00 74.35 H new ATOM 0 HB3 LEU A 65 15.801 -2.087 -8.084 1.00 74.35 H new ATOM 0 HG LEU A 65 16.798 -1.890 -10.938 1.00 11.20 H new ATOM 0 HD11 LEU A 65 19.036 -2.515 -10.004 1.00 53.04 H new ATOM 0 HD12 LEU A 65 18.499 -0.935 -9.386 1.00 53.04 H new ATOM 0 HD13 LEU A 65 18.373 -2.382 -8.358 1.00 53.04 H new ATOM 0 HD21 LEU A 65 17.389 -4.252 -10.615 1.00 75.25 H new ATOM 0 HD22 LEU A 65 16.725 -4.193 -8.965 1.00 75.25 H new ATOM 0 HD23 LEU A 65 15.650 -3.968 -10.365 1.00 75.25 H new ATOM 890 N ASN A 66 13.184 -1.427 -7.553 1.00 15.12 N ATOM 891 CA ASN A 66 12.491 -0.766 -6.443 1.00 32.24 C ATOM 892 C ASN A 66 13.483 0.156 -5.749 1.00 53.44 C ATOM 893 O ASN A 66 14.676 -0.138 -5.692 1.00 42.35 O ATOM 894 CB ASN A 66 11.941 -1.749 -5.392 1.00 53.02 C ATOM 895 CG ASN A 66 11.065 -2.860 -5.947 1.00 72.45 C ATOM 896 OD1 ASN A 66 10.390 -2.695 -6.960 1.00 3.13 O ATOM 897 ND2 ASN A 66 11.052 -4.003 -5.285 1.00 11.54 N ATOM 0 H ASN A 66 13.316 -2.432 -7.441 1.00 15.12 H new ATOM 0 HA ASN A 66 11.641 -0.231 -6.865 1.00 32.24 H new ATOM 0 HB2 ASN A 66 12.781 -2.199 -4.863 1.00 53.02 H new ATOM 0 HB3 ASN A 66 11.366 -1.187 -4.657 1.00 53.02 H new ATOM 0 HD21 ASN A 66 10.472 -4.775 -5.612 1.00 11.54 H new ATOM 0 HD22 ASN A 66 11.622 -4.113 -4.447 1.00 11.54 H new ATOM 903 N ARG A 67 12.994 1.254 -5.170 1.00 40.44 N ATOM 904 CA ARG A 67 13.882 2.223 -4.519 1.00 0.12 C ATOM 905 C ARG A 67 14.295 1.853 -3.100 1.00 35.10 C ATOM 906 O ARG A 67 15.175 2.523 -2.554 1.00 20.22 O ATOM 907 CB ARG A 67 13.252 3.623 -4.571 1.00 73.31 C ATOM 908 CG ARG A 67 13.775 4.310 -5.825 1.00 11.04 C ATOM 909 CD ARG A 67 13.443 5.802 -5.869 1.00 35.13 C ATOM 910 NE ARG A 67 14.515 6.538 -6.559 1.00 23.42 N ATOM 911 CZ ARG A 67 15.141 7.640 -6.142 1.00 75.43 C ATOM 912 NH1 ARG A 67 14.644 8.371 -5.150 1.00 52.11 N ATOM 913 NH2 ARG A 67 16.254 7.990 -6.776 1.00 1.21 N ATOM 0 H ARG A 67 12.003 1.494 -5.137 1.00 40.44 H new ATOM 0 HA ARG A 67 14.813 2.213 -5.086 1.00 0.12 H new ATOM 0 HB2 ARG A 67 12.164 3.554 -4.596 1.00 73.31 H new ATOM 0 HB3 ARG A 67 13.515 4.196 -3.681 1.00 73.31 H new ATOM 0 HG2 ARG A 67 14.856 4.182 -5.879 1.00 11.04 H new ATOM 0 HG3 ARG A 67 13.352 3.823 -6.703 1.00 11.04 H new ATOM 0 HD2 ARG A 67 12.495 5.957 -6.384 1.00 35.13 H new ATOM 0 HD3 ARG A 67 13.321 6.186 -4.856 1.00 35.13 H new ATOM 0 HE ARG A 67 14.813 6.162 -7.459 1.00 23.42 H new ATOM 0 HH11 ARG A 67 13.774 8.092 -4.697 1.00 52.11 H new ATOM 0 HH12 ARG A 67 15.133 9.211 -4.841 1.00 52.11 H new ATOM 0 HH21 ARG A 67 16.600 7.423 -7.550 1.00 1.21 H new ATOM 0 HH22 ARG A 67 16.763 8.826 -6.489 1.00 1.21 H new ATOM 924 N GLY A 68 13.678 0.830 -2.510 1.00 2.41 N ATOM 925 CA GLY A 68 13.864 0.492 -1.105 1.00 44.13 C ATOM 926 C GLY A 68 12.695 0.935 -0.231 1.00 21.52 C ATOM 927 O GLY A 68 12.771 0.831 0.994 1.00 73.52 O ATOM 0 H GLY A 68 13.032 0.211 -2.999 1.00 2.41 H new ATOM 0 HA2 GLY A 68 13.995 -0.586 -1.010 1.00 44.13 H new ATOM 0 HA3 GLY A 68 14.780 0.958 -0.742 1.00 44.13 H new ATOM 931 N PHE A 69 11.590 1.370 -0.845 1.00 72.13 N ATOM 932 CA PHE A 69 10.358 1.723 -0.160 1.00 53.14 C ATOM 933 C PHE A 69 9.164 1.324 -1.025 1.00 14.42 C ATOM 934 O PHE A 69 9.340 0.928 -2.181 1.00 22.30 O ATOM 935 CB PHE A 69 10.372 3.248 0.120 1.00 15.22 C ATOM 936 CG PHE A 69 9.916 4.125 -1.035 1.00 11.21 C ATOM 937 CD1 PHE A 69 10.785 4.440 -2.094 1.00 32.42 C ATOM 938 CD2 PHE A 69 8.598 4.622 -1.049 1.00 32.21 C ATOM 939 CE1 PHE A 69 10.331 5.240 -3.161 1.00 35.54 C ATOM 940 CE2 PHE A 69 8.154 5.443 -2.097 1.00 55.05 C ATOM 941 CZ PHE A 69 9.023 5.755 -3.157 1.00 2.04 C ATOM 0 H PHE A 69 11.534 1.487 -1.857 1.00 72.13 H new ATOM 0 HA PHE A 69 10.275 1.192 0.789 1.00 53.14 H new ATOM 0 HB2 PHE A 69 9.734 3.449 0.981 1.00 15.22 H new ATOM 0 HB3 PHE A 69 11.384 3.540 0.399 1.00 15.22 H new ATOM 0 HD1 PHE A 69 11.799 4.069 -2.090 1.00 32.42 H new ATOM 0 HD2 PHE A 69 7.923 4.369 -0.245 1.00 32.21 H new ATOM 0 HE1 PHE A 69 10.992 5.459 -3.987 1.00 35.54 H new ATOM 0 HE2 PHE A 69 7.147 5.834 -2.089 1.00 55.05 H new ATOM 0 HZ PHE A 69 8.687 6.388 -3.965 1.00 2.04 H new ATOM 950 N ALA A 70 7.955 1.417 -0.470 1.00 1.42 N ATOM 951 CA ALA A 70 6.690 1.226 -1.179 1.00 21.14 C ATOM 952 C ALA A 70 5.590 2.038 -0.479 1.00 12.44 C ATOM 953 O ALA A 70 5.840 2.608 0.583 1.00 50.11 O ATOM 954 CB ALA A 70 6.366 -0.276 -1.255 1.00 63.01 C ATOM 0 H ALA A 70 7.826 1.635 0.518 1.00 1.42 H new ATOM 0 HA ALA A 70 6.761 1.591 -2.204 1.00 21.14 H new ATOM 0 HB1 ALA A 70 5.423 -0.419 -1.783 1.00 63.01 H new ATOM 0 HB2 ALA A 70 7.163 -0.794 -1.789 1.00 63.01 H new ATOM 0 HB3 ALA A 70 6.282 -0.682 -0.247 1.00 63.01 H new ATOM 960 N PHE A 71 4.386 2.072 -1.054 1.00 41.35 N ATOM 961 CA PHE A 71 3.239 2.879 -0.643 1.00 32.44 C ATOM 962 C PHE A 71 2.012 1.976 -0.463 1.00 5.10 C ATOM 963 O PHE A 71 1.867 0.990 -1.194 1.00 43.53 O ATOM 964 CB PHE A 71 2.933 3.906 -1.752 1.00 1.24 C ATOM 965 CG PHE A 71 3.500 5.295 -1.560 1.00 51.05 C ATOM 966 CD1 PHE A 71 3.318 5.971 -0.341 1.00 63.25 C ATOM 967 CD2 PHE A 71 4.101 5.968 -2.641 1.00 3.42 C ATOM 968 CE1 PHE A 71 3.756 7.297 -0.197 1.00 51.01 C ATOM 969 CE2 PHE A 71 4.540 7.295 -2.495 1.00 12.23 C ATOM 970 CZ PHE A 71 4.364 7.966 -1.272 1.00 12.03 C ATOM 0 H PHE A 71 4.174 1.499 -1.871 1.00 41.35 H new ATOM 0 HA PHE A 71 3.466 3.384 0.296 1.00 32.44 H new ATOM 0 HB2 PHE A 71 3.309 3.511 -2.696 1.00 1.24 H new ATOM 0 HB3 PHE A 71 1.851 3.990 -1.850 1.00 1.24 H new ATOM 0 HD1 PHE A 71 2.840 5.469 0.487 1.00 63.25 H new ATOM 0 HD2 PHE A 71 4.225 5.462 -3.587 1.00 3.42 H new ATOM 0 HE1 PHE A 71 3.625 7.806 0.746 1.00 51.01 H new ATOM 0 HE2 PHE A 71 5.013 7.800 -3.324 1.00 12.23 H new ATOM 0 HZ PHE A 71 4.694 8.988 -1.160 1.00 12.03 H new ATOM 979 N ILE A 72 1.089 2.367 0.425 1.00 54.43 N ATOM 980 CA ILE A 72 -0.227 1.736 0.597 1.00 65.01 C ATOM 981 C ILE A 72 -1.297 2.859 0.565 1.00 32.40 C ATOM 982 O ILE A 72 -0.963 4.049 0.509 1.00 31.34 O ATOM 983 CB ILE A 72 -0.250 0.857 1.889 1.00 3.54 C ATOM 984 CG1 ILE A 72 1.027 -0.005 2.052 1.00 30.01 C ATOM 985 CG2 ILE A 72 -1.473 -0.091 1.915 1.00 61.35 C ATOM 986 CD1 ILE A 72 1.031 -0.953 3.262 1.00 61.02 C ATOM 0 H ILE A 72 1.240 3.151 1.060 1.00 54.43 H new ATOM 0 HA ILE A 72 -0.452 1.042 -0.213 1.00 65.01 H new ATOM 0 HB ILE A 72 -0.307 1.567 2.714 1.00 3.54 H new ATOM 0 HG12 ILE A 72 1.163 -0.597 1.147 1.00 30.01 H new ATOM 0 HG13 ILE A 72 1.887 0.660 2.130 1.00 30.01 H new ATOM 0 HG21 ILE A 72 -1.453 -0.685 2.829 1.00 61.35 H new ATOM 0 HG22 ILE A 72 -2.390 0.497 1.884 1.00 61.35 H new ATOM 0 HG23 ILE A 72 -1.438 -0.754 1.050 1.00 61.35 H new ATOM 0 HD11 ILE A 72 1.968 -1.510 3.285 1.00 61.02 H new ATOM 0 HD12 ILE A 72 0.931 -0.373 4.179 1.00 61.02 H new ATOM 0 HD13 ILE A 72 0.197 -1.650 3.181 1.00 61.02 H new ATOM 997 N GLN A 73 -2.581 2.491 0.557 1.00 33.33 N ATOM 998 CA GLN A 73 -3.774 3.328 0.659 1.00 74.11 C ATOM 999 C GLN A 73 -4.779 2.588 1.555 1.00 45.31 C ATOM 1000 O GLN A 73 -4.851 1.361 1.484 1.00 1.30 O ATOM 1001 CB GLN A 73 -4.407 3.515 -0.728 1.00 51.42 C ATOM 1002 CG GLN A 73 -3.542 4.302 -1.722 1.00 44.52 C ATOM 1003 CD GLN A 73 -4.047 4.228 -3.163 1.00 25.31 C ATOM 1004 OE1 GLN A 73 -3.298 4.487 -4.102 1.00 43.54 O ATOM 1005 NE2 GLN A 73 -5.295 3.875 -3.423 1.00 2.51 N ATOM 0 H GLN A 73 -2.832 1.506 0.471 1.00 33.33 H new ATOM 0 HA GLN A 73 -3.513 4.304 1.067 1.00 74.11 H new ATOM 0 HB2 GLN A 73 -4.622 2.533 -1.151 1.00 51.42 H new ATOM 0 HB3 GLN A 73 -5.362 4.028 -0.611 1.00 51.42 H new ATOM 0 HG2 GLN A 73 -3.505 5.346 -1.412 1.00 44.52 H new ATOM 0 HG3 GLN A 73 -2.521 3.922 -1.683 1.00 44.52 H new ATOM 0 HE21 GLN A 73 -5.933 3.656 -2.658 1.00 2.51 H new ATOM 0 HE22 GLN A 73 -5.619 3.822 -4.389 1.00 2.51 H new ATOM 1012 N LEU A 74 -5.546 3.311 2.372 1.00 63.15 N ATOM 1013 CA LEU A 74 -6.494 2.869 3.406 1.00 71.15 C ATOM 1014 C LEU A 74 -7.189 4.120 3.973 1.00 63.35 C ATOM 1015 O LEU A 74 -6.675 5.231 3.792 1.00 25.41 O ATOM 1016 CB LEU A 74 -5.745 2.178 4.571 1.00 74.02 C ATOM 1017 CG LEU A 74 -5.781 0.635 4.519 1.00 45.25 C ATOM 1018 CD1 LEU A 74 -4.369 0.051 4.487 1.00 63.15 C ATOM 1019 CD2 LEU A 74 -6.494 0.086 5.752 1.00 5.44 C ATOM 0 H LEU A 74 -5.518 4.329 2.323 1.00 63.15 H new ATOM 0 HA LEU A 74 -7.205 2.169 2.967 1.00 71.15 H new ATOM 0 HB2 LEU A 74 -4.706 2.507 4.566 1.00 74.02 H new ATOM 0 HB3 LEU A 74 -6.179 2.509 5.514 1.00 74.02 H new ATOM 0 HG LEU A 74 -6.312 0.350 3.611 1.00 45.25 H new ATOM 0 HD11 LEU A 74 -4.426 -1.037 4.451 1.00 63.15 H new ATOM 0 HD12 LEU A 74 -3.844 0.417 3.605 1.00 63.15 H new ATOM 0 HD13 LEU A 74 -3.829 0.356 5.383 1.00 63.15 H new ATOM 0 HD21 LEU A 74 -6.514 -1.003 5.706 1.00 5.44 H new ATOM 0 HD22 LEU A 74 -5.963 0.401 6.650 1.00 5.44 H new ATOM 0 HD23 LEU A 74 -7.515 0.467 5.782 1.00 5.44 H new ATOM 1030 N SER A 75 -8.294 3.932 4.703 1.00 73.45 N ATOM 1031 CA SER A 75 -9.052 4.988 5.373 1.00 13.43 C ATOM 1032 C SER A 75 -8.337 5.573 6.604 1.00 22.32 C ATOM 1033 O SER A 75 -7.305 5.069 7.055 1.00 31.40 O ATOM 1034 CB SER A 75 -10.429 4.442 5.781 1.00 53.42 C ATOM 1035 OG SER A 75 -11.043 3.734 4.715 1.00 2.24 O ATOM 0 H SER A 75 -8.697 3.006 4.847 1.00 73.45 H new ATOM 0 HA SER A 75 -9.154 5.806 4.660 1.00 13.43 H new ATOM 0 HB2 SER A 75 -10.320 3.783 6.642 1.00 53.42 H new ATOM 0 HB3 SER A 75 -11.072 5.266 6.090 1.00 53.42 H new ATOM 0 HG SER A 75 -11.916 3.398 5.006 1.00 2.24 H new ATOM 1040 N THR A 76 -8.930 6.623 7.180 1.00 10.52 N ATOM 1041 CA THR A 76 -8.322 7.495 8.175 1.00 50.54 C ATOM 1042 C THR A 76 -7.891 6.751 9.434 1.00 63.41 C ATOM 1043 O THR A 76 -6.716 6.817 9.805 1.00 34.41 O ATOM 1044 CB THR A 76 -9.272 8.664 8.515 1.00 1.40 C ATOM 1045 OG1 THR A 76 -10.565 8.216 8.872 1.00 12.30 O ATOM 1046 CG2 THR A 76 -9.448 9.596 7.322 1.00 2.22 C ATOM 0 H THR A 76 -9.886 6.895 6.952 1.00 10.52 H new ATOM 0 HA THR A 76 -7.410 7.896 7.734 1.00 50.54 H new ATOM 0 HB THR A 76 -8.808 9.181 9.355 1.00 1.40 H new ATOM 0 HG1 THR A 76 -11.132 8.987 9.081 1.00 12.30 H new ATOM 0 HG21 THR A 76 -10.122 10.409 7.592 1.00 2.22 H new ATOM 0 HG22 THR A 76 -8.480 10.007 7.035 1.00 2.22 H new ATOM 0 HG23 THR A 76 -9.868 9.039 6.484 1.00 2.22 H new ATOM 1054 N ILE A 77 -8.846 6.112 10.117 1.00 13.11 N ATOM 1055 CA ILE A 77 -8.580 5.340 11.323 1.00 72.25 C ATOM 1056 C ILE A 77 -7.643 4.205 10.941 1.00 33.01 C ATOM 1057 O ILE A 77 -6.634 4.004 11.604 1.00 70.33 O ATOM 1058 CB ILE A 77 -9.897 4.830 11.958 1.00 33.30 C ATOM 1059 CG1 ILE A 77 -10.634 6.006 12.627 1.00 3.32 C ATOM 1060 CG2 ILE A 77 -9.629 3.703 12.971 1.00 4.12 C ATOM 1061 CD1 ILE A 77 -12.032 5.656 13.151 1.00 72.35 C ATOM 0 H ILE A 77 -9.828 6.119 9.843 1.00 13.11 H new ATOM 0 HA ILE A 77 -8.106 5.960 12.084 1.00 72.25 H new ATOM 0 HB ILE A 77 -10.527 4.415 11.171 1.00 33.30 H new ATOM 0 HG12 ILE A 77 -10.030 6.375 13.456 1.00 3.32 H new ATOM 0 HG13 ILE A 77 -10.721 6.821 11.909 1.00 3.32 H new ATOM 0 HG21 ILE A 77 -10.573 3.367 13.399 1.00 4.12 H new ATOM 0 HG22 ILE A 77 -9.142 2.869 12.467 1.00 4.12 H new ATOM 0 HG23 ILE A 77 -8.982 4.074 13.766 1.00 4.12 H new ATOM 0 HD11 ILE A 77 -12.481 6.538 13.607 1.00 72.35 H new ATOM 0 HD12 ILE A 77 -12.656 5.317 12.324 1.00 72.35 H new ATOM 0 HD13 ILE A 77 -11.954 4.863 13.895 1.00 72.35 H new ATOM 1072 N GLU A 78 -7.977 3.469 9.882 1.00 4.24 N ATOM 1073 CA GLU A 78 -7.356 2.191 9.581 1.00 63.02 C ATOM 1074 C GLU A 78 -5.859 2.376 9.338 1.00 21.31 C ATOM 1075 O GLU A 78 -5.056 1.625 9.881 1.00 72.21 O ATOM 1076 CB GLU A 78 -8.026 1.515 8.379 1.00 14.30 C ATOM 1077 CG GLU A 78 -9.559 1.528 8.400 1.00 63.35 C ATOM 1078 CD GLU A 78 -10.180 0.889 9.637 1.00 11.50 C ATOM 1079 OE1 GLU A 78 -10.438 1.636 10.605 1.00 74.21 O ATOM 1080 OE2 GLU A 78 -10.567 -0.303 9.604 1.00 62.03 O ATOM 0 H GLU A 78 -8.690 3.749 9.209 1.00 4.24 H new ATOM 0 HA GLU A 78 -7.491 1.536 10.442 1.00 63.02 H new ATOM 0 HB2 GLU A 78 -7.686 2.008 7.468 1.00 14.30 H new ATOM 0 HB3 GLU A 78 -7.687 0.480 8.328 1.00 14.30 H new ATOM 0 HG2 GLU A 78 -9.902 2.560 8.329 1.00 63.35 H new ATOM 0 HG3 GLU A 78 -9.926 1.008 7.515 1.00 63.35 H new ATOM 1085 N ALA A 79 -5.453 3.399 8.579 1.00 25.00 N ATOM 1086 CA ALA A 79 -4.039 3.657 8.385 1.00 52.32 C ATOM 1087 C ALA A 79 -3.412 4.114 9.708 1.00 63.41 C ATOM 1088 O ALA A 79 -2.308 3.701 10.052 1.00 32.11 O ATOM 1089 CB ALA A 79 -3.850 4.721 7.299 1.00 24.33 C ATOM 0 H ALA A 79 -6.078 4.047 8.100 1.00 25.00 H new ATOM 0 HA ALA A 79 -3.542 2.742 8.062 1.00 52.32 H new ATOM 0 HB1 ALA A 79 -2.786 4.911 7.157 1.00 24.33 H new ATOM 0 HB2 ALA A 79 -4.283 4.367 6.364 1.00 24.33 H new ATOM 0 HB3 ALA A 79 -4.346 5.643 7.603 1.00 24.33 H new ATOM 1095 N ALA A 80 -4.114 4.974 10.450 1.00 4.34 N ATOM 1096 CA ALA A 80 -3.611 5.579 11.671 1.00 31.22 C ATOM 1097 C ALA A 80 -3.602 4.637 12.887 1.00 52.45 C ATOM 1098 O ALA A 80 -3.163 5.068 13.959 1.00 51.25 O ATOM 1099 CB ALA A 80 -4.417 6.848 11.971 1.00 43.24 C ATOM 0 H ALA A 80 -5.060 5.269 10.210 1.00 4.34 H new ATOM 0 HA ALA A 80 -2.563 5.822 11.495 1.00 31.22 H new ATOM 0 HB1 ALA A 80 -4.045 7.308 12.887 1.00 43.24 H new ATOM 0 HB2 ALA A 80 -4.312 7.550 11.144 1.00 43.24 H new ATOM 0 HB3 ALA A 80 -5.469 6.590 12.096 1.00 43.24 H new ATOM 1105 N GLN A 81 -4.067 3.392 12.751 1.00 21.11 N ATOM 1106 CA GLN A 81 -4.093 2.373 13.802 1.00 24.10 C ATOM 1107 C GLN A 81 -3.295 1.137 13.400 1.00 50.43 C ATOM 1108 O GLN A 81 -2.661 0.521 14.259 1.00 71.43 O ATOM 1109 CB GLN A 81 -5.547 2.033 14.172 1.00 43.32 C ATOM 1110 CG GLN A 81 -6.373 1.272 13.123 1.00 11.53 C ATOM 1111 CD GLN A 81 -6.395 -0.235 13.336 1.00 65.45 C ATOM 1112 OE1 GLN A 81 -5.518 -0.949 12.874 1.00 71.33 O ATOM 1113 NE2 GLN A 81 -7.390 -0.740 14.039 1.00 70.11 N ATOM 0 H GLN A 81 -4.451 3.053 11.869 1.00 21.11 H new ATOM 0 HA GLN A 81 -3.608 2.776 14.691 1.00 24.10 H new ATOM 0 HB2 GLN A 81 -5.534 1.442 15.088 1.00 43.32 H new ATOM 0 HB3 GLN A 81 -6.065 2.964 14.401 1.00 43.32 H new ATOM 0 HG2 GLN A 81 -7.396 1.647 13.138 1.00 11.53 H new ATOM 0 HG3 GLN A 81 -5.970 1.484 12.133 1.00 11.53 H new ATOM 0 HE21 GLN A 81 -8.112 -0.125 14.416 1.00 70.11 H new ATOM 0 HE22 GLN A 81 -7.438 -1.745 14.206 1.00 70.11 H new ATOM 1120 N LEU A 82 -3.263 0.814 12.104 1.00 12.24 N ATOM 1121 CA LEU A 82 -2.537 -0.340 11.587 1.00 71.14 C ATOM 1122 C LEU A 82 -1.071 -0.246 11.967 1.00 33.20 C ATOM 1123 O LEU A 82 -0.472 -1.259 12.319 1.00 13.51 O ATOM 1124 CB LEU A 82 -2.654 -0.415 10.056 1.00 10.10 C ATOM 1125 CG LEU A 82 -3.843 -1.252 9.551 1.00 43.35 C ATOM 1126 CD1 LEU A 82 -3.924 -1.090 8.030 1.00 25.02 C ATOM 1127 CD2 LEU A 82 -3.679 -2.737 9.880 1.00 23.12 C ATOM 0 H LEU A 82 -3.744 1.352 11.383 1.00 12.24 H new ATOM 0 HA LEU A 82 -2.975 -1.238 12.023 1.00 71.14 H new ATOM 0 HB2 LEU A 82 -2.743 0.597 9.660 1.00 10.10 H new ATOM 0 HB3 LEU A 82 -1.732 -0.835 9.653 1.00 10.10 H new ATOM 0 HG LEU A 82 -4.749 -0.900 10.044 1.00 43.35 H new ATOM 0 HD11 LEU A 82 -4.760 -1.674 7.646 1.00 25.02 H new ATOM 0 HD12 LEU A 82 -4.072 -0.039 7.783 1.00 25.02 H new ATOM 0 HD13 LEU A 82 -2.997 -1.442 7.577 1.00 25.02 H new ATOM 0 HD21 LEU A 82 -4.540 -3.290 9.505 1.00 23.12 H new ATOM 0 HD22 LEU A 82 -2.772 -3.116 9.409 1.00 23.12 H new ATOM 0 HD23 LEU A 82 -3.608 -2.865 10.960 1.00 23.12 H new ATOM 1138 N LEU A 83 -0.505 0.964 11.940 1.00 45.12 N ATOM 1139 CA LEU A 83 0.885 1.212 12.286 1.00 13.34 C ATOM 1140 C LEU A 83 1.256 0.607 13.641 1.00 52.35 C ATOM 1141 O LEU A 83 2.392 0.182 13.807 1.00 24.44 O ATOM 1142 CB LEU A 83 1.115 2.729 12.303 1.00 50.45 C ATOM 1143 CG LEU A 83 2.578 3.125 12.586 1.00 73.15 C ATOM 1144 CD1 LEU A 83 3.446 2.871 11.356 1.00 25.22 C ATOM 1145 CD2 LEU A 83 2.659 4.603 12.954 1.00 31.22 C ATOM 0 H LEU A 83 -1.013 1.807 11.672 1.00 45.12 H new ATOM 0 HA LEU A 83 1.522 0.735 11.541 1.00 13.34 H new ATOM 0 HB2 LEU A 83 0.813 3.145 11.342 1.00 50.45 H new ATOM 0 HB3 LEU A 83 0.472 3.178 13.060 1.00 50.45 H new ATOM 0 HG LEU A 83 2.941 2.519 13.416 1.00 73.15 H new ATOM 0 HD11 LEU A 83 4.476 3.156 11.572 1.00 25.22 H new ATOM 0 HD12 LEU A 83 3.409 1.813 11.097 1.00 25.22 H new ATOM 0 HD13 LEU A 83 3.074 3.463 10.520 1.00 25.22 H new ATOM 0 HD21 LEU A 83 3.696 4.872 13.152 1.00 31.22 H new ATOM 0 HD22 LEU A 83 2.279 5.205 12.128 1.00 31.22 H new ATOM 0 HD23 LEU A 83 2.059 4.789 13.845 1.00 31.22 H new ATOM 1156 N GLN A 84 0.335 0.568 14.605 1.00 54.35 N ATOM 1157 CA GLN A 84 0.581 -0.056 15.897 1.00 62.24 C ATOM 1158 C GLN A 84 0.640 -1.574 15.740 1.00 52.51 C ATOM 1159 O GLN A 84 1.562 -2.199 16.255 1.00 42.34 O ATOM 1160 CB GLN A 84 -0.515 0.345 16.898 1.00 4.44 C ATOM 1161 CG GLN A 84 -0.106 1.434 17.895 1.00 52.14 C ATOM 1162 CD GLN A 84 -1.334 2.038 18.580 1.00 52.21 C ATOM 1163 OE1 GLN A 84 -2.275 1.333 18.947 1.00 34.42 O ATOM 1164 NE2 GLN A 84 -1.384 3.353 18.738 1.00 51.24 N ATOM 0 H GLN A 84 -0.598 0.968 14.508 1.00 54.35 H new ATOM 0 HA GLN A 84 1.540 0.290 16.283 1.00 62.24 H new ATOM 0 HB2 GLN A 84 -1.387 0.690 16.342 1.00 4.44 H new ATOM 0 HB3 GLN A 84 -0.821 -0.541 17.454 1.00 4.44 H new ATOM 0 HG2 GLN A 84 0.563 1.013 18.645 1.00 52.14 H new ATOM 0 HG3 GLN A 84 0.448 2.217 17.377 1.00 52.14 H new ATOM 0 HE21 GLN A 84 -0.603 3.933 18.433 1.00 51.24 H new ATOM 0 HE22 GLN A 84 -2.204 3.785 19.165 1.00 51.24 H new ATOM 1171 N ILE A 85 -0.340 -2.174 15.068 1.00 4.10 N ATOM 1172 CA ILE A 85 -0.466 -3.622 14.911 1.00 65.01 C ATOM 1173 C ILE A 85 0.786 -4.160 14.215 1.00 62.23 C ATOM 1174 O ILE A 85 1.347 -5.174 14.642 1.00 3.21 O ATOM 1175 CB ILE A 85 -1.767 -3.964 14.147 1.00 64.45 C ATOM 1176 CG1 ILE A 85 -2.973 -3.310 14.857 1.00 53.32 C ATOM 1177 CG2 ILE A 85 -1.962 -5.493 14.076 1.00 51.43 C ATOM 1178 CD1 ILE A 85 -4.317 -3.558 14.177 1.00 3.42 C ATOM 0 H ILE A 85 -1.087 -1.655 14.606 1.00 4.10 H new ATOM 0 HA ILE A 85 -0.539 -4.106 15.885 1.00 65.01 H new ATOM 0 HB ILE A 85 -1.693 -3.576 13.131 1.00 64.45 H new ATOM 0 HG12 ILE A 85 -3.023 -3.683 15.880 1.00 53.32 H new ATOM 0 HG13 ILE A 85 -2.804 -2.235 14.918 1.00 53.32 H new ATOM 0 HG21 ILE A 85 -2.882 -5.718 13.536 1.00 51.43 H new ATOM 0 HG22 ILE A 85 -1.116 -5.944 13.557 1.00 51.43 H new ATOM 0 HG23 ILE A 85 -2.026 -5.899 15.086 1.00 51.43 H new ATOM 0 HD11 ILE A 85 -5.107 -3.063 14.742 1.00 3.42 H new ATOM 0 HD12 ILE A 85 -4.291 -3.159 13.163 1.00 3.42 H new ATOM 0 HD13 ILE A 85 -4.514 -4.629 14.140 1.00 3.42 H new ATOM 1189 N LEU A 86 1.262 -3.442 13.192 1.00 51.14 N ATOM 1190 CA LEU A 86 2.382 -3.856 12.350 1.00 43.42 C ATOM 1191 C LEU A 86 3.662 -4.070 13.166 1.00 62.11 C ATOM 1192 O LEU A 86 4.497 -4.873 12.761 1.00 64.23 O ATOM 1193 CB LEU A 86 2.624 -2.815 11.241 1.00 50.15 C ATOM 1194 CG LEU A 86 2.008 -3.173 9.879 1.00 24.43 C ATOM 1195 CD1 LEU A 86 0.479 -3.152 9.888 1.00 70.35 C ATOM 1196 CD2 LEU A 86 2.491 -2.176 8.820 1.00 51.54 C ATOM 0 H LEU A 86 0.870 -2.540 12.924 1.00 51.14 H new ATOM 0 HA LEU A 86 2.119 -4.812 11.897 1.00 43.42 H new ATOM 0 HB2 LEU A 86 2.220 -1.857 11.567 1.00 50.15 H new ATOM 0 HB3 LEU A 86 3.698 -2.682 11.115 1.00 50.15 H new ATOM 0 HG LEU A 86 2.330 -4.189 9.651 1.00 24.43 H new ATOM 0 HD11 LEU A 86 0.106 -3.413 8.898 1.00 70.35 H new ATOM 0 HD12 LEU A 86 0.110 -3.873 10.617 1.00 70.35 H new ATOM 0 HD13 LEU A 86 0.130 -2.155 10.156 1.00 70.35 H new ATOM 0 HD21 LEU A 86 2.054 -2.430 7.854 1.00 51.54 H new ATOM 0 HD22 LEU A 86 2.185 -1.169 9.103 1.00 51.54 H new ATOM 0 HD23 LEU A 86 3.578 -2.219 8.749 1.00 51.54 H new ATOM 1207 N GLN A 87 3.805 -3.420 14.328 1.00 71.23 N ATOM 1208 CA GLN A 87 4.954 -3.529 15.234 1.00 63.01 C ATOM 1209 C GLN A 87 5.101 -4.943 15.842 1.00 50.14 C ATOM 1210 O GLN A 87 5.975 -5.163 16.688 1.00 24.32 O ATOM 1211 CB GLN A 87 4.833 -2.478 16.347 1.00 52.11 C ATOM 1212 CG GLN A 87 4.769 -1.033 15.819 1.00 10.50 C ATOM 1213 CD GLN A 87 6.106 -0.400 15.435 1.00 70.04 C ATOM 1214 OE1 GLN A 87 7.175 -0.923 15.729 1.00 63.35 O ATOM 1215 NE2 GLN A 87 6.087 0.761 14.791 1.00 72.43 N ATOM 0 H GLN A 87 3.094 -2.777 14.676 1.00 71.23 H new ATOM 0 HA GLN A 87 5.854 -3.346 14.647 1.00 63.01 H new ATOM 0 HB2 GLN A 87 3.938 -2.683 16.934 1.00 52.11 H new ATOM 0 HB3 GLN A 87 5.684 -2.573 17.021 1.00 52.11 H new ATOM 0 HG2 GLN A 87 4.117 -1.015 14.946 1.00 10.50 H new ATOM 0 HG3 GLN A 87 4.300 -0.410 16.580 1.00 10.50 H new ATOM 0 HE21 GLN A 87 5.196 1.194 14.547 1.00 72.43 H new ATOM 0 HE22 GLN A 87 6.963 1.219 14.540 1.00 72.43 H new ATOM 1222 N ALA A 88 4.251 -5.903 15.465 1.00 74.44 N ATOM 1223 CA ALA A 88 4.224 -7.262 15.992 1.00 2.41 C ATOM 1224 C ALA A 88 4.041 -8.339 14.916 1.00 41.41 C ATOM 1225 O ALA A 88 3.671 -9.458 15.276 1.00 62.11 O ATOM 1226 CB ALA A 88 3.117 -7.358 17.048 1.00 5.51 C ATOM 0 H ALA A 88 3.536 -5.743 14.755 1.00 74.44 H new ATOM 0 HA ALA A 88 5.200 -7.460 16.436 1.00 2.41 H new ATOM 0 HB1 ALA A 88 3.085 -8.370 17.451 1.00 5.51 H new ATOM 0 HB2 ALA A 88 3.321 -6.653 17.854 1.00 5.51 H new ATOM 0 HB3 ALA A 88 2.157 -7.119 16.591 1.00 5.51 H new ATOM 1232 N LEU A 89 4.246 -8.062 13.623 1.00 45.33 N ATOM 1233 CA LEU A 89 4.101 -9.100 12.599 1.00 62.12 C ATOM 1234 C LEU A 89 5.158 -8.971 11.510 1.00 74.12 C ATOM 1235 O LEU A 89 5.737 -7.899 11.313 1.00 5.23 O ATOM 1236 CB LEU A 89 2.667 -9.097 12.033 1.00 64.45 C ATOM 1237 CG LEU A 89 2.333 -7.894 11.122 1.00 10.10 C ATOM 1238 CD1 LEU A 89 2.421 -8.265 9.643 1.00 71.42 C ATOM 1239 CD2 LEU A 89 0.928 -7.361 11.427 1.00 13.21 C ATOM 0 H LEU A 89 4.508 -7.143 13.266 1.00 45.33 H new ATOM 0 HA LEU A 89 4.268 -10.070 13.067 1.00 62.12 H new ATOM 0 HB2 LEU A 89 2.512 -10.016 11.468 1.00 64.45 H new ATOM 0 HB3 LEU A 89 1.963 -9.111 12.865 1.00 64.45 H new ATOM 0 HG LEU A 89 3.072 -7.120 11.329 1.00 10.10 H new ATOM 0 HD11 LEU A 89 2.179 -7.394 9.034 1.00 71.42 H new ATOM 0 HD12 LEU A 89 3.432 -8.600 9.412 1.00 71.42 H new ATOM 0 HD13 LEU A 89 1.714 -9.066 9.426 1.00 71.42 H new ATOM 0 HD21 LEU A 89 0.711 -6.514 10.776 1.00 13.21 H new ATOM 0 HD22 LEU A 89 0.195 -8.149 11.255 1.00 13.21 H new ATOM 0 HD23 LEU A 89 0.878 -7.040 12.468 1.00 13.21 H new ATOM 1250 N HIS A 90 5.368 -10.058 10.764 1.00 34.13 N ATOM 1251 CA HIS A 90 6.207 -10.055 9.577 1.00 65.25 C ATOM 1252 C HIS A 90 5.571 -10.891 8.463 1.00 53.53 C ATOM 1253 O HIS A 90 4.731 -11.751 8.742 1.00 1.33 O ATOM 1254 CB HIS A 90 7.625 -10.525 9.946 1.00 21.10 C ATOM 1255 CG HIS A 90 7.799 -11.985 10.281 1.00 53.12 C ATOM 1256 ND1 HIS A 90 7.789 -13.035 9.388 1.00 10.30 N ATOM 1257 CD2 HIS A 90 8.158 -12.485 11.504 1.00 63.04 C ATOM 1258 CE1 HIS A 90 8.119 -14.146 10.062 1.00 11.40 C ATOM 1259 NE2 HIS A 90 8.364 -13.861 11.355 1.00 45.43 N ATOM 0 H HIS A 90 4.956 -10.967 10.973 1.00 34.13 H new ATOM 0 HA HIS A 90 6.291 -9.041 9.186 1.00 65.25 H new ATOM 0 HB2 HIS A 90 8.287 -10.288 9.114 1.00 21.10 H new ATOM 0 HB3 HIS A 90 7.964 -9.939 10.800 1.00 21.10 H new ATOM 0 HD1 HIS A 90 7.570 -12.977 8.393 1.00 10.30 H new ATOM 0 HD2 HIS A 90 8.263 -11.920 12.418 1.00 63.04 H new ATOM 0 HE1 HIS A 90 8.180 -15.133 9.628 1.00 11.40 H new ATOM 1266 N PRO A 91 5.957 -10.667 7.196 1.00 10.20 N ATOM 1267 CA PRO A 91 5.495 -11.491 6.088 1.00 72.21 C ATOM 1268 C PRO A 91 6.194 -12.860 6.067 1.00 43.53 C ATOM 1269 O PRO A 91 7.333 -12.972 6.540 1.00 12.21 O ATOM 1270 CB PRO A 91 5.863 -10.693 4.831 1.00 44.11 C ATOM 1271 CG PRO A 91 7.104 -9.914 5.260 1.00 1.40 C ATOM 1272 CD PRO A 91 6.777 -9.565 6.707 1.00 74.03 C ATOM 0 HA PRO A 91 4.427 -11.697 6.164 1.00 72.21 H new ATOM 0 HB2 PRO A 91 6.072 -11.348 3.985 1.00 44.11 H new ATOM 0 HB3 PRO A 91 5.055 -10.027 4.526 1.00 44.11 H new ATOM 0 HG2 PRO A 91 8.010 -10.515 5.180 1.00 1.40 H new ATOM 0 HG3 PRO A 91 7.257 -9.023 4.650 1.00 1.40 H new ATOM 0 HD2 PRO A 91 7.685 -9.458 7.300 1.00 74.03 H new ATOM 0 HD3 PRO A 91 6.241 -8.618 6.771 1.00 74.03 H new ATOM 1277 N PRO A 92 5.597 -13.870 5.411 1.00 64.03 N ATOM 1278 CA PRO A 92 6.313 -15.073 5.001 1.00 65.31 C ATOM 1279 C PRO A 92 7.381 -14.723 3.956 1.00 3.43 C ATOM 1280 O PRO A 92 8.470 -15.291 3.976 1.00 54.51 O ATOM 1281 CB PRO A 92 5.242 -16.015 4.431 1.00 64.35 C ATOM 1282 CG PRO A 92 4.115 -15.081 3.994 1.00 23.32 C ATOM 1283 CD PRO A 92 4.208 -13.922 4.981 1.00 22.40 C ATOM 0 HA PRO A 92 6.842 -15.545 5.829 1.00 65.31 H new ATOM 0 HB2 PRO A 92 5.627 -16.594 3.592 1.00 64.35 H new ATOM 0 HB3 PRO A 92 4.900 -16.729 5.180 1.00 64.35 H new ATOM 0 HG2 PRO A 92 4.249 -14.744 2.966 1.00 23.32 H new ATOM 0 HG3 PRO A 92 3.144 -15.573 4.044 1.00 23.32 H new ATOM 0 HD2 PRO A 92 3.910 -12.985 4.511 1.00 22.40 H new ATOM 0 HD3 PRO A 92 3.543 -14.079 5.830 1.00 22.40 H new ATOM 1288 N LEU A 93 7.081 -13.767 3.070 1.00 70.23 N ATOM 1289 CA LEU A 93 7.981 -13.247 2.050 1.00 34.40 C ATOM 1290 C LEU A 93 9.207 -12.602 2.704 1.00 61.04 C ATOM 1291 O LEU A 93 9.122 -11.440 3.116 1.00 33.33 O ATOM 1292 CB LEU A 93 7.235 -12.230 1.156 1.00 51.52 C ATOM 1293 CG LEU A 93 6.610 -12.763 -0.147 1.00 51.33 C ATOM 1294 CD1 LEU A 93 7.680 -13.137 -1.177 1.00 2.22 C ATOM 1295 CD2 LEU A 93 5.649 -13.928 0.091 1.00 50.24 C ATOM 0 H LEU A 93 6.165 -13.320 3.048 1.00 70.23 H new ATOM 0 HA LEU A 93 8.324 -14.071 1.424 1.00 34.40 H new ATOM 0 HB2 LEU A 93 6.442 -11.776 1.750 1.00 51.52 H new ATOM 0 HB3 LEU A 93 7.933 -11.434 0.895 1.00 51.52 H new ATOM 0 HG LEU A 93 6.019 -11.943 -0.556 1.00 51.33 H new ATOM 0 HD11 LEU A 93 7.200 -13.509 -2.082 1.00 2.22 H new ATOM 0 HD12 LEU A 93 8.276 -12.257 -1.418 1.00 2.22 H new ATOM 0 HD13 LEU A 93 8.327 -13.912 -0.765 1.00 2.22 H new ATOM 0 HD21 LEU A 93 5.239 -14.262 -0.862 1.00 50.24 H new ATOM 0 HD22 LEU A 93 6.185 -14.751 0.564 1.00 50.24 H new ATOM 0 HD23 LEU A 93 4.837 -13.603 0.741 1.00 50.24 H new ATOM 1306 N THR A 94 10.352 -13.285 2.725 1.00 74.31 N ATOM 1307 CA THR A 94 11.664 -12.633 2.785 1.00 74.13 C ATOM 1308 C THR A 94 12.246 -12.668 1.362 1.00 44.34 C ATOM 1309 O THR A 94 11.747 -13.370 0.476 1.00 4.34 O ATOM 1310 CB THR A 94 12.593 -13.260 3.851 1.00 63.33 C ATOM 1311 OG1 THR A 94 11.863 -13.659 5.000 1.00 43.25 O ATOM 1312 CG2 THR A 94 13.669 -12.295 4.351 1.00 54.22 C ATOM 0 H THR A 94 10.398 -14.304 2.701 1.00 74.31 H new ATOM 0 HA THR A 94 11.564 -11.598 3.113 1.00 74.13 H new ATOM 0 HB THR A 94 13.056 -14.109 3.348 1.00 63.33 H new ATOM 0 HG1 THR A 94 12.475 -14.053 5.656 1.00 43.25 H new ATOM 0 HG21 THR A 94 14.288 -12.794 5.097 1.00 54.22 H new ATOM 0 HG22 THR A 94 14.292 -11.980 3.514 1.00 54.22 H new ATOM 0 HG23 THR A 94 13.195 -11.422 4.799 1.00 54.22 H new ATOM 1320 N ILE A 95 13.222 -11.816 1.085 1.00 72.33 N ATOM 1321 CA ILE A 95 14.075 -11.884 -0.093 1.00 42.11 C ATOM 1322 C ILE A 95 15.425 -11.353 0.398 1.00 11.22 C ATOM 1323 O ILE A 95 15.427 -10.409 1.197 1.00 41.24 O ATOM 1324 CB ILE A 95 13.474 -11.084 -1.286 1.00 22.33 C ATOM 1325 CG1 ILE A 95 14.363 -11.152 -2.541 1.00 21.22 C ATOM 1326 CG2 ILE A 95 13.233 -9.615 -0.930 1.00 62.21 C ATOM 1327 CD1 ILE A 95 14.453 -12.566 -3.124 1.00 3.54 C ATOM 0 H ILE A 95 13.450 -11.031 1.695 1.00 72.33 H new ATOM 0 HA ILE A 95 14.175 -12.892 -0.497 1.00 42.11 H new ATOM 0 HB ILE A 95 12.518 -11.560 -1.504 1.00 22.33 H new ATOM 0 HG12 ILE A 95 13.968 -10.475 -3.299 1.00 21.22 H new ATOM 0 HG13 ILE A 95 15.365 -10.801 -2.292 1.00 21.22 H new ATOM 0 HG21 ILE A 95 12.813 -9.096 -1.792 1.00 62.21 H new ATOM 0 HG22 ILE A 95 12.536 -9.553 -0.094 1.00 62.21 H new ATOM 0 HG23 ILE A 95 14.178 -9.149 -0.650 1.00 62.21 H new ATOM 0 HD11 ILE A 95 15.092 -12.556 -4.007 1.00 3.54 H new ATOM 0 HD12 ILE A 95 14.875 -13.241 -2.379 1.00 3.54 H new ATOM 0 HD13 ILE A 95 13.456 -12.909 -3.402 1.00 3.54 H new ATOM 1338 N ASP A 96 16.536 -11.926 -0.068 1.00 31.24 N ATOM 1339 CA ASP A 96 17.945 -11.602 0.207 1.00 62.45 C ATOM 1340 C ASP A 96 18.355 -11.824 1.674 1.00 11.14 C ATOM 1341 O ASP A 96 19.351 -12.482 1.977 1.00 3.12 O ATOM 1342 CB ASP A 96 18.265 -10.180 -0.277 1.00 30.33 C ATOM 1343 CG ASP A 96 19.752 -9.866 -0.158 1.00 30.32 C ATOM 1344 OD1 ASP A 96 20.175 -9.416 0.925 1.00 21.32 O ATOM 1345 OD2 ASP A 96 20.478 -10.010 -1.165 1.00 33.23 O ATOM 0 H ASP A 96 16.468 -12.711 -0.716 1.00 31.24 H new ATOM 0 HA ASP A 96 18.552 -12.308 -0.360 1.00 62.45 H new ATOM 0 HB2 ASP A 96 17.952 -10.070 -1.315 1.00 30.33 H new ATOM 0 HB3 ASP A 96 17.693 -9.459 0.307 1.00 30.33 H new ATOM 1349 N GLY A 97 17.558 -11.323 2.608 1.00 54.32 N ATOM 1350 CA GLY A 97 17.767 -11.295 4.045 1.00 52.14 C ATOM 1351 C GLY A 97 17.314 -9.958 4.622 1.00 53.34 C ATOM 1352 O GLY A 97 17.965 -9.427 5.524 1.00 61.34 O ATOM 0 H GLY A 97 16.671 -10.888 2.354 1.00 54.32 H new ATOM 0 HA2 GLY A 97 17.213 -12.108 4.515 1.00 52.14 H new ATOM 0 HA3 GLY A 97 18.822 -11.456 4.269 1.00 52.14 H new ATOM 1356 N LYS A 98 16.221 -9.383 4.097 1.00 74.15 N ATOM 1357 CA LYS A 98 15.579 -8.219 4.685 1.00 44.32 C ATOM 1358 C LYS A 98 14.078 -8.405 4.861 1.00 53.25 C ATOM 1359 O LYS A 98 13.389 -9.155 4.165 1.00 24.33 O ATOM 1360 CB LYS A 98 15.968 -6.898 3.990 1.00 52.25 C ATOM 1361 CG LYS A 98 15.985 -6.829 2.460 1.00 3.34 C ATOM 1362 CD LYS A 98 14.755 -7.437 1.835 1.00 25.00 C ATOM 1363 CE LYS A 98 13.547 -6.560 2.063 1.00 73.44 C ATOM 1364 NZ LYS A 98 12.330 -7.381 2.112 1.00 64.12 N ATOM 0 H LYS A 98 15.764 -9.721 3.250 1.00 74.15 H new ATOM 0 HA LYS A 98 15.978 -8.128 5.695 1.00 44.32 H new ATOM 0 HB2 LYS A 98 15.283 -6.128 4.344 1.00 52.25 H new ATOM 0 HB3 LYS A 98 16.963 -6.625 4.341 1.00 52.25 H new ATOM 0 HG2 LYS A 98 16.069 -5.788 2.149 1.00 3.34 H new ATOM 0 HG3 LYS A 98 16.870 -7.345 2.087 1.00 3.34 H new ATOM 0 HD2 LYS A 98 14.915 -7.573 0.765 1.00 25.00 H new ATOM 0 HD3 LYS A 98 14.577 -8.425 2.259 1.00 25.00 H new ATOM 0 HE2 LYS A 98 13.660 -6.007 2.996 1.00 73.44 H new ATOM 0 HE3 LYS A 98 13.466 -5.823 1.264 1.00 73.44 H new ATOM 0 HZ1 LYS A 98 11.632 -7.008 1.437 1.00 64.12 H new ATOM 0 HZ2 LYS A 98 12.563 -8.363 1.861 1.00 64.12 H new ATOM 0 HZ3 LYS A 98 11.932 -7.354 3.072 1.00 64.12 H new ATOM 1374 N THR A 99 13.553 -7.561 5.723 1.00 21.34 N ATOM 1375 CA THR A 99 12.185 -7.565 6.209 1.00 50.15 C ATOM 1376 C THR A 99 11.638 -6.134 6.192 1.00 45.55 C ATOM 1377 O THR A 99 12.296 -5.212 5.711 1.00 73.14 O ATOM 1378 CB THR A 99 12.120 -8.242 7.589 1.00 34.33 C ATOM 1379 OG1 THR A 99 13.189 -7.839 8.424 1.00 72.25 O ATOM 1380 CG2 THR A 99 12.102 -9.774 7.463 1.00 3.41 C ATOM 0 H THR A 99 14.103 -6.805 6.130 1.00 21.34 H new ATOM 0 HA THR A 99 11.541 -8.154 5.556 1.00 50.15 H new ATOM 0 HB THR A 99 11.187 -7.919 8.051 1.00 34.33 H new ATOM 0 HG1 THR A 99 13.113 -8.288 9.292 1.00 72.25 H new ATOM 0 HG21 THR A 99 12.056 -10.220 8.456 1.00 3.41 H new ATOM 0 HG22 THR A 99 11.230 -10.081 6.886 1.00 3.41 H new ATOM 0 HG23 THR A 99 13.008 -10.108 6.957 1.00 3.41 H new ATOM 1388 N ILE A 100 10.394 -5.956 6.621 1.00 2.42 N ATOM 1389 CA ILE A 100 9.553 -4.830 6.251 1.00 2.22 C ATOM 1390 C ILE A 100 9.264 -4.106 7.566 1.00 4.52 C ATOM 1391 O ILE A 100 8.527 -4.588 8.430 1.00 3.50 O ATOM 1392 CB ILE A 100 8.311 -5.367 5.521 1.00 2.22 C ATOM 1393 CG1 ILE A 100 8.672 -6.347 4.376 1.00 1.53 C ATOM 1394 CG2 ILE A 100 7.368 -4.301 4.955 1.00 25.30 C ATOM 1395 CD1 ILE A 100 9.670 -5.801 3.345 1.00 44.43 C ATOM 0 H ILE A 100 9.932 -6.610 7.253 1.00 2.42 H new ATOM 0 HA ILE A 100 10.007 -4.124 5.556 1.00 2.22 H new ATOM 0 HB ILE A 100 7.777 -5.886 6.317 1.00 2.22 H new ATOM 0 HG12 ILE A 100 9.085 -7.256 4.813 1.00 1.53 H new ATOM 0 HG13 ILE A 100 7.756 -6.630 3.858 1.00 1.53 H new ATOM 0 HG21 ILE A 100 6.526 -4.786 4.461 1.00 25.30 H new ATOM 0 HG22 ILE A 100 7.000 -3.673 5.766 1.00 25.30 H new ATOM 0 HG23 ILE A 100 7.906 -3.685 4.234 1.00 25.30 H new ATOM 0 HD11 ILE A 100 9.859 -6.559 2.585 1.00 44.43 H new ATOM 0 HD12 ILE A 100 9.255 -4.910 2.874 1.00 44.43 H new ATOM 0 HD13 ILE A 100 10.605 -5.546 3.844 1.00 44.43 H new ATOM 1406 N ASN A 101 9.940 -2.974 7.706 1.00 12.22 N ATOM 1407 CA ASN A 101 9.874 -2.014 8.811 1.00 70.43 C ATOM 1408 C ASN A 101 8.458 -1.438 8.948 1.00 43.11 C ATOM 1409 O ASN A 101 7.589 -1.677 8.102 1.00 11.42 O ATOM 1410 CB ASN A 101 10.878 -0.858 8.597 1.00 72.43 C ATOM 1411 CG ASN A 101 11.476 -0.414 9.929 1.00 23.43 C ATOM 1412 OD1 ASN A 101 10.824 0.265 10.720 1.00 12.24 O ATOM 1413 ND2 ASN A 101 12.711 -0.782 10.214 1.00 64.33 N ATOM 0 H ASN A 101 10.605 -2.674 6.993 1.00 12.22 H new ATOM 0 HA ASN A 101 10.134 -2.547 9.726 1.00 70.43 H new ATOM 0 HB2 ASN A 101 11.673 -1.179 7.924 1.00 72.43 H new ATOM 0 HB3 ASN A 101 10.376 -0.017 8.119 1.00 72.43 H new ATOM 0 HD21 ASN A 101 13.135 -0.503 11.099 1.00 64.33 H new ATOM 0 HD22 ASN A 101 13.242 -1.345 9.549 1.00 64.33 H new ATOM 1419 N VAL A 102 8.220 -0.604 9.954 1.00 74.14 N ATOM 1420 CA VAL A 102 6.904 -0.099 10.312 1.00 64.12 C ATOM 1421 C VAL A 102 6.997 1.422 10.394 1.00 31.11 C ATOM 1422 O VAL A 102 7.763 1.963 11.194 1.00 72.45 O ATOM 1423 CB VAL A 102 6.428 -0.776 11.610 1.00 24.10 C ATOM 1424 CG1 VAL A 102 4.998 -0.341 11.935 1.00 5.54 C ATOM 1425 CG2 VAL A 102 6.454 -2.304 11.478 1.00 22.00 C ATOM 0 H VAL A 102 8.961 -0.251 10.560 1.00 74.14 H new ATOM 0 HA VAL A 102 6.149 -0.340 9.564 1.00 64.12 H new ATOM 0 HB VAL A 102 7.106 -0.473 12.408 1.00 24.10 H new ATOM 0 HG11 VAL A 102 4.671 -0.825 12.855 1.00 5.54 H new ATOM 0 HG12 VAL A 102 4.967 0.741 12.064 1.00 5.54 H new ATOM 0 HG13 VAL A 102 4.336 -0.628 11.118 1.00 5.54 H new ATOM 0 HG21 VAL A 102 6.113 -2.756 12.410 1.00 22.00 H new ATOM 0 HG22 VAL A 102 5.797 -2.610 10.664 1.00 22.00 H new ATOM 0 HG23 VAL A 102 7.471 -2.634 11.266 1.00 22.00 H new ATOM 1435 N GLU A 103 6.273 2.113 9.511 1.00 41.23 N ATOM 1436 CA GLU A 103 6.267 3.563 9.395 1.00 22.02 C ATOM 1437 C GLU A 103 4.996 3.971 8.642 1.00 42.41 C ATOM 1438 O GLU A 103 4.380 3.140 7.975 1.00 42.31 O ATOM 1439 CB GLU A 103 7.531 3.982 8.616 1.00 44.31 C ATOM 1440 CG GLU A 103 7.688 5.470 8.273 1.00 42.22 C ATOM 1441 CD GLU A 103 7.730 6.391 9.482 1.00 20.43 C ATOM 1442 OE1 GLU A 103 6.788 6.386 10.303 1.00 25.21 O ATOM 1443 OE2 GLU A 103 8.730 7.138 9.609 1.00 34.31 O ATOM 0 H GLU A 103 5.656 1.659 8.837 1.00 41.23 H new ATOM 0 HA GLU A 103 6.273 4.051 10.370 1.00 22.02 H new ATOM 0 HB2 GLU A 103 8.401 3.676 9.197 1.00 44.31 H new ATOM 0 HB3 GLU A 103 7.555 3.417 7.684 1.00 44.31 H new ATOM 0 HG2 GLU A 103 8.604 5.603 7.698 1.00 42.22 H new ATOM 0 HG3 GLU A 103 6.861 5.772 7.630 1.00 42.22 H new ATOM 1448 N PHE A 104 4.612 5.246 8.696 1.00 51.15 N ATOM 1449 CA PHE A 104 3.572 5.830 7.870 1.00 3.12 C ATOM 1450 C PHE A 104 3.990 7.206 7.334 1.00 1.43 C ATOM 1451 O PHE A 104 4.958 7.811 7.802 1.00 0.42 O ATOM 1452 CB PHE A 104 2.246 5.843 8.634 1.00 3.44 C ATOM 1453 CG PHE A 104 2.049 6.735 9.846 1.00 64.01 C ATOM 1454 CD1 PHE A 104 3.116 7.359 10.523 1.00 31.53 C ATOM 1455 CD2 PHE A 104 0.740 6.889 10.338 1.00 70.13 C ATOM 1456 CE1 PHE A 104 2.868 8.133 11.667 1.00 24.50 C ATOM 1457 CE2 PHE A 104 0.488 7.687 11.466 1.00 2.10 C ATOM 1458 CZ PHE A 104 1.554 8.314 12.127 1.00 3.22 C ATOM 0 H PHE A 104 5.034 5.917 9.338 1.00 51.15 H new ATOM 0 HA PHE A 104 3.421 5.212 6.985 1.00 3.12 H new ATOM 0 HB2 PHE A 104 1.467 6.103 7.917 1.00 3.44 H new ATOM 0 HB3 PHE A 104 2.054 4.820 8.957 1.00 3.44 H new ATOM 0 HD1 PHE A 104 4.127 7.241 10.161 1.00 31.53 H new ATOM 0 HD2 PHE A 104 -0.079 6.389 9.843 1.00 70.13 H new ATOM 0 HE1 PHE A 104 3.691 8.591 12.195 1.00 24.50 H new ATOM 0 HE2 PHE A 104 -0.523 7.817 11.823 1.00 2.10 H new ATOM 0 HZ PHE A 104 1.364 8.936 12.989 1.00 3.22 H new ATOM 1467 N ALA A 105 3.252 7.696 6.337 1.00 71.55 N ATOM 1468 CA ALA A 105 3.511 8.928 5.590 1.00 15.10 C ATOM 1469 C ALA A 105 2.215 9.731 5.397 1.00 20.30 C ATOM 1470 O ALA A 105 2.079 10.477 4.428 1.00 34.22 O ATOM 1471 CB ALA A 105 4.182 8.585 4.255 1.00 55.03 C ATOM 0 H ALA A 105 2.412 7.218 6.011 1.00 71.55 H new ATOM 0 HA ALA A 105 4.192 9.562 6.158 1.00 15.10 H new ATOM 0 HB1 ALA A 105 4.375 9.502 3.699 1.00 55.03 H new ATOM 0 HB2 ALA A 105 5.124 8.070 4.443 1.00 55.03 H new ATOM 0 HB3 ALA A 105 3.525 7.939 3.673 1.00 55.03 H new ATOM 1477 N LYS A 106 1.244 9.524 6.294 1.00 11.33 N ATOM 1478 CA LYS A 106 -0.111 10.059 6.232 1.00 14.23 C ATOM 1479 C LYS A 106 -0.143 11.587 6.206 1.00 60.54 C ATOM 1480 O LYS A 106 0.883 12.256 6.353 1.00 0.04 O ATOM 1481 CB LYS A 106 -0.966 9.396 7.330 1.00 3.22 C ATOM 1482 CG LYS A 106 -0.507 9.542 8.787 1.00 54.21 C ATOM 1483 CD LYS A 106 -0.703 10.957 9.328 1.00 13.02 C ATOM 1484 CE LYS A 106 0.584 11.766 9.291 1.00 24.23 C ATOM 1485 NZ LYS A 106 0.300 13.213 9.297 1.00 74.55 N ATOM 0 H LYS A 106 1.395 8.949 7.123 1.00 11.33 H new ATOM 0 HA LYS A 106 -0.568 9.797 5.278 1.00 14.23 H new ATOM 0 HB2 LYS A 106 -1.976 9.799 7.256 1.00 3.22 H new ATOM 0 HB3 LYS A 106 -1.031 8.331 7.105 1.00 3.22 H new ATOM 0 HG2 LYS A 106 -1.060 8.839 9.410 1.00 54.21 H new ATOM 0 HG3 LYS A 106 0.546 9.272 8.861 1.00 54.21 H new ATOM 0 HD2 LYS A 106 -1.468 11.466 8.742 1.00 13.02 H new ATOM 0 HD3 LYS A 106 -1.069 10.905 10.353 1.00 13.02 H new ATOM 0 HE2 LYS A 106 1.203 11.510 10.151 1.00 24.23 H new ATOM 0 HE3 LYS A 106 1.154 11.508 8.399 1.00 24.23 H new ATOM 0 HZ1 LYS A 106 1.195 13.742 9.271 1.00 74.55 H new ATOM 0 HZ2 LYS A 106 -0.271 13.458 8.463 1.00 74.55 H new ATOM 0 HZ3 LYS A 106 -0.224 13.460 10.161 1.00 74.55 H new ATOM 1495 N GLY A 107 -1.330 12.159 6.067 1.00 35.11 N ATOM 1496 CA GLY A 107 -1.507 13.564 5.758 1.00 40.42 C ATOM 1497 C GLY A 107 -2.616 14.179 6.592 1.00 35.23 C ATOM 1498 O GLY A 107 -2.869 13.737 7.720 1.00 13.31 O ATOM 0 H GLY A 107 -2.208 11.650 6.168 1.00 35.11 H new ATOM 0 HA2 GLY A 107 -0.574 14.098 5.939 1.00 40.42 H new ATOM 0 HA3 GLY A 107 -1.739 13.679 4.699 1.00 40.42 H new ATOM 1502 N SER A 108 -3.246 15.217 6.046 1.00 3.12 N ATOM 1503 CA SER A 108 -4.355 15.950 6.639 1.00 20.44 C ATOM 1504 C SER A 108 -5.349 16.312 5.534 1.00 53.34 C ATOM 1505 O SER A 108 -5.107 16.045 4.360 1.00 62.33 O ATOM 1506 CB SER A 108 -3.819 17.195 7.363 1.00 3.14 C ATOM 1507 OG SER A 108 -2.912 16.815 8.386 1.00 40.41 O ATOM 0 H SER A 108 -2.981 15.586 5.132 1.00 3.12 H new ATOM 0 HA SER A 108 -4.873 15.340 7.379 1.00 20.44 H new ATOM 0 HB2 SER A 108 -3.320 17.852 6.651 1.00 3.14 H new ATOM 0 HB3 SER A 108 -4.647 17.760 7.792 1.00 3.14 H new ATOM 0 HG SER A 108 -2.576 17.616 8.839 1.00 40.41 H new ATOM 1512 N LYS A 109 -6.491 16.886 5.917 1.00 13.11 N ATOM 1513 CA LYS A 109 -7.561 17.280 4.999 1.00 64.24 C ATOM 1514 C LYS A 109 -7.409 18.718 4.501 1.00 55.34 C ATOM 1515 O LYS A 109 -8.371 19.289 3.977 1.00 41.25 O ATOM 1516 CB LYS A 109 -8.917 17.064 5.678 1.00 53.05 C ATOM 1517 CG LYS A 109 -9.082 17.952 6.920 1.00 71.53 C ATOM 1518 CD LYS A 109 -10.502 17.833 7.453 1.00 53.43 C ATOM 1519 CE LYS A 109 -10.566 18.445 8.850 1.00 44.05 C ATOM 1520 NZ LYS A 109 -11.813 18.071 9.535 1.00 43.32 N ATOM 0 H LYS A 109 -6.702 17.094 6.893 1.00 13.11 H new ATOM 0 HA LYS A 109 -7.496 16.649 4.113 1.00 64.24 H new ATOM 0 HB2 LYS A 109 -9.717 17.279 4.969 1.00 53.05 H new ATOM 0 HB3 LYS A 109 -9.017 16.017 5.964 1.00 53.05 H new ATOM 0 HG2 LYS A 109 -8.369 17.654 7.689 1.00 71.53 H new ATOM 0 HG3 LYS A 109 -8.864 18.990 6.668 1.00 71.53 H new ATOM 0 HD2 LYS A 109 -11.197 18.344 6.787 1.00 53.43 H new ATOM 0 HD3 LYS A 109 -10.804 16.786 7.487 1.00 53.43 H new ATOM 0 HE2 LYS A 109 -9.711 18.110 9.437 1.00 44.05 H new ATOM 0 HE3 LYS A 109 -10.498 19.531 8.778 1.00 44.05 H new ATOM 0 HZ1 LYS A 109 -11.831 18.500 10.482 1.00 43.32 H new ATOM 0 HZ2 LYS A 109 -12.627 18.412 8.985 1.00 43.32 H new ATOM 0 HZ3 LYS A 109 -11.864 17.036 9.623 1.00 43.32 H new ATOM 1530 N ARG A 110 -6.248 19.336 4.725 1.00 14.00 N ATOM 1531 CA ARG A 110 -5.961 20.694 4.306 1.00 51.02 C ATOM 1532 C ARG A 110 -4.751 20.653 3.391 1.00 32.14 C ATOM 1533 O ARG A 110 -3.834 19.863 3.606 1.00 62.11 O ATOM 1534 CB ARG A 110 -5.773 21.634 5.504 1.00 64.15 C ATOM 1535 CG ARG A 110 -4.606 21.281 6.452 1.00 54.42 C ATOM 1536 CD ARG A 110 -3.746 22.509 6.753 1.00 73.14 C ATOM 1537 NE ARG A 110 -4.512 23.555 7.447 1.00 43.04 N ATOM 1538 CZ ARG A 110 -4.011 24.686 7.951 1.00 32.23 C ATOM 1539 NH1 ARG A 110 -2.725 24.977 7.779 1.00 43.15 N ATOM 1540 NH2 ARG A 110 -4.794 25.491 8.662 1.00 3.13 N ATOM 0 H ARG A 110 -5.471 18.891 5.213 1.00 14.00 H new ATOM 0 HA ARG A 110 -6.808 21.106 3.758 1.00 51.02 H new ATOM 0 HB2 ARG A 110 -5.619 22.646 5.129 1.00 64.15 H new ATOM 0 HB3 ARG A 110 -6.697 21.646 6.082 1.00 64.15 H new ATOM 0 HG2 ARG A 110 -5.001 20.874 7.383 1.00 54.42 H new ATOM 0 HG3 ARG A 110 -3.989 20.504 6.000 1.00 54.42 H new ATOM 0 HD2 ARG A 110 -2.894 22.215 7.366 1.00 73.14 H new ATOM 0 HD3 ARG A 110 -3.345 22.909 5.822 1.00 73.14 H new ATOM 0 HE ARG A 110 -5.515 23.403 7.553 1.00 43.04 H new ATOM 0 HH11 ARG A 110 -2.122 24.337 7.262 1.00 43.15 H new ATOM 0 HH12 ARG A 110 -2.342 25.840 8.164 1.00 43.15 H new ATOM 0 HH21 ARG A 110 -5.771 25.244 8.820 1.00 3.13 H new ATOM 0 HH22 ARG A 110 -4.418 26.356 9.050 1.00 3.13 H new ATOM 1551 N ASP A 111 -4.749 21.531 2.405 1.00 43.33 N ATOM 1552 CA ASP A 111 -3.670 21.777 1.464 1.00 23.51 C ATOM 1553 C ASP A 111 -3.812 23.228 0.996 1.00 23.30 C ATOM 1554 O ASP A 111 -4.653 23.966 1.538 1.00 3.41 O ATOM 1555 CB ASP A 111 -3.733 20.779 0.292 1.00 3.32 C ATOM 1556 CG ASP A 111 -2.319 20.364 -0.111 1.00 24.43 C ATOM 1557 OD1 ASP A 111 -1.612 21.174 -0.748 1.00 64.13 O ATOM 1558 OD2 ASP A 111 -1.900 19.240 0.267 1.00 53.11 O ATOM 0 H ASP A 111 -5.554 22.131 2.228 1.00 43.33 H new ATOM 0 HA ASP A 111 -2.695 21.632 1.930 1.00 23.51 H new ATOM 0 HB2 ASP A 111 -4.311 19.901 0.581 1.00 3.32 H new ATOM 0 HB3 ASP A 111 -4.245 21.233 -0.557 1.00 3.32 H new ATOM 1562 N MET A 112 -3.017 23.658 0.017 1.00 33.42 N ATOM 1563 CA MET A 112 -3.115 24.983 -0.579 1.00 61.54 C ATOM 1564 C MET A 112 -3.174 24.849 -2.101 1.00 71.21 C ATOM 1565 O MET A 112 -2.430 24.072 -2.706 1.00 74.34 O ATOM 1566 CB MET A 112 -1.975 25.868 -0.047 1.00 34.13 C ATOM 1567 CG MET A 112 -1.955 27.268 -0.672 1.00 60.25 C ATOM 1568 SD MET A 112 -0.925 27.351 -2.160 1.00 53.04 S ATOM 1569 CE MET A 112 -1.547 28.843 -2.962 1.00 4.20 C ATOM 0 H MET A 112 -2.277 23.085 -0.388 1.00 33.42 H new ATOM 0 HA MET A 112 -4.037 25.489 -0.291 1.00 61.54 H new ATOM 0 HB2 MET A 112 -2.071 25.961 1.035 1.00 34.13 H new ATOM 0 HB3 MET A 112 -1.022 25.377 -0.241 1.00 34.13 H new ATOM 0 HG2 MET A 112 -2.973 27.565 -0.922 1.00 60.25 H new ATOM 0 HG3 MET A 112 -1.586 27.984 0.062 1.00 60.25 H new ATOM 0 HE1 MET A 112 -1.247 28.845 -4.010 1.00 4.20 H new ATOM 0 HE2 MET A 112 -2.635 28.865 -2.896 1.00 4.20 H new ATOM 0 HE3 MET A 112 -1.135 29.722 -2.465 1.00 4.20 H new ATOM 1577 N ALA A 113 -4.094 25.601 -2.696 1.00 14.11 N ATOM 1578 CA ALA A 113 -4.384 25.758 -4.113 1.00 14.10 C ATOM 1579 C ALA A 113 -5.159 27.079 -4.228 1.00 34.53 C ATOM 1580 O ALA A 113 -5.188 27.864 -3.273 1.00 42.14 O ATOM 1581 CB ALA A 113 -5.213 24.568 -4.625 1.00 63.35 C ATOM 0 H ALA A 113 -4.721 26.177 -2.134 1.00 14.11 H new ATOM 0 HA ALA A 113 -3.479 25.781 -4.720 1.00 14.10 H new ATOM 0 HB1 ALA A 113 -5.422 24.700 -5.687 1.00 63.35 H new ATOM 0 HB2 ALA A 113 -4.653 23.644 -4.477 1.00 63.35 H new ATOM 0 HB3 ALA A 113 -6.152 24.515 -4.074 1.00 63.35 H new ATOM 1587 N SER A 114 -5.817 27.305 -5.363 1.00 71.22 N ATOM 1588 CA SER A 114 -7.008 28.133 -5.422 1.00 64.23 C ATOM 1589 C SER A 114 -8.252 27.299 -5.752 1.00 63.21 C ATOM 1590 O SER A 114 -8.144 26.128 -6.125 1.00 32.21 O ATOM 1591 CB SER A 114 -6.799 29.231 -6.455 1.00 22.52 C ATOM 1592 OG SER A 114 -5.752 30.109 -6.096 1.00 23.51 O ATOM 0 H SER A 114 -5.536 26.918 -6.264 1.00 71.22 H new ATOM 0 HA SER A 114 -7.176 28.583 -4.444 1.00 64.23 H new ATOM 0 HB2 SER A 114 -6.577 28.780 -7.422 1.00 22.52 H new ATOM 0 HB3 SER A 114 -7.722 29.798 -6.572 1.00 22.52 H new ATOM 0 HG SER A 114 -5.651 30.797 -6.787 1.00 23.51 H new ATOM 1597 N ASN A 115 -9.423 27.925 -5.675 1.00 31.12 N ATOM 1598 CA ASN A 115 -10.718 27.476 -6.186 1.00 51.01 C ATOM 1599 C ASN A 115 -11.207 28.503 -7.210 1.00 44.40 C ATOM 1600 O ASN A 115 -10.714 29.634 -7.236 1.00 75.11 O ATOM 1601 CB ASN A 115 -11.728 27.281 -5.036 1.00 75.54 C ATOM 1602 CG ASN A 115 -11.695 28.394 -3.987 1.00 24.33 C ATOM 1603 OD1 ASN A 115 -11.241 28.189 -2.860 1.00 75.51 O ATOM 1604 ND2 ASN A 115 -12.164 29.587 -4.298 1.00 73.20 N ATOM 0 H ASN A 115 -9.498 28.833 -5.217 1.00 31.12 H new ATOM 0 HA ASN A 115 -10.617 26.505 -6.671 1.00 51.01 H new ATOM 0 HB2 ASN A 115 -12.733 27.219 -5.454 1.00 75.54 H new ATOM 0 HB3 ASN A 115 -11.527 26.328 -4.547 1.00 75.54 H new ATOM 0 HD21 ASN A 115 -12.150 30.337 -3.606 1.00 73.20 H new ATOM 0 HD22 ASN A 115 -12.540 29.760 -5.230 1.00 73.20 H new ATOM 1610 N GLU A 116 -12.171 28.151 -8.058 1.00 13.41 N ATOM 1611 CA GLU A 116 -12.736 29.029 -9.083 1.00 63.50 C ATOM 1612 C GLU A 116 -14.257 29.037 -8.940 1.00 14.11 C ATOM 1613 O GLU A 116 -14.873 27.981 -8.767 1.00 73.40 O ATOM 1614 CB GLU A 116 -12.330 28.560 -10.491 1.00 41.03 C ATOM 1615 CG GLU A 116 -10.883 28.921 -10.855 1.00 32.53 C ATOM 1616 CD GLU A 116 -10.621 28.761 -12.358 1.00 41.21 C ATOM 1617 OE1 GLU A 116 -11.150 29.594 -13.133 1.00 60.33 O ATOM 1618 OE2 GLU A 116 -9.853 27.856 -12.760 1.00 75.24 O ATOM 0 H GLU A 116 -12.593 27.222 -8.052 1.00 13.41 H new ATOM 0 HA GLU A 116 -12.348 30.039 -8.947 1.00 63.50 H new ATOM 0 HB2 GLU A 116 -12.456 27.479 -10.557 1.00 41.03 H new ATOM 0 HB3 GLU A 116 -13.004 29.005 -11.223 1.00 41.03 H new ATOM 0 HG2 GLU A 116 -10.678 29.949 -10.557 1.00 32.53 H new ATOM 0 HG3 GLU A 116 -10.197 28.284 -10.296 1.00 32.53 H new ATOM 1623 N GLY A 117 -14.875 30.219 -9.007 1.00 15.22 N ATOM 1624 CA GLY A 117 -16.259 30.421 -8.591 1.00 34.53 C ATOM 1625 C GLY A 117 -17.220 30.503 -9.767 1.00 4.23 C ATOM 1626 O GLY A 117 -18.354 30.025 -9.672 1.00 13.11 O ATOM 0 H GLY A 117 -14.424 31.065 -9.354 1.00 15.22 H new ATOM 0 HA2 GLY A 117 -16.561 29.603 -7.937 1.00 34.53 H new ATOM 0 HA3 GLY A 117 -16.328 31.338 -8.006 1.00 34.53 H new ATOM 1630 N SER A 118 -16.773 31.120 -10.856 1.00 53.01 N ATOM 1631 CA SER A 118 -17.572 31.427 -12.026 1.00 12.02 C ATOM 1632 C SER A 118 -18.067 30.120 -12.656 1.00 64.23 C ATOM 1633 O SER A 118 -17.268 29.231 -12.960 1.00 72.54 O ATOM 1634 CB SER A 118 -16.722 32.291 -12.963 1.00 2.14 C ATOM 1635 OG SER A 118 -16.199 33.399 -12.233 1.00 43.21 O ATOM 0 H SER A 118 -15.805 31.430 -10.946 1.00 53.01 H new ATOM 0 HA SER A 118 -18.467 31.999 -11.780 1.00 12.02 H new ATOM 0 HB2 SER A 118 -15.908 31.700 -13.383 1.00 2.14 H new ATOM 0 HB3 SER A 118 -17.325 32.643 -13.800 1.00 2.14 H new ATOM 0 HG SER A 118 -15.653 33.954 -12.828 1.00 43.21 H new ATOM 1640 N ARG A 119 -19.387 29.955 -12.773 1.00 34.24 N ATOM 1641 CA ARG A 119 -20.021 28.685 -13.089 1.00 63.50 C ATOM 1642 C ARG A 119 -21.395 28.966 -13.673 1.00 41.03 C ATOM 1643 O ARG A 119 -22.357 29.138 -12.925 1.00 75.11 O ATOM 1644 CB ARG A 119 -20.094 27.816 -11.816 1.00 32.45 C ATOM 1645 CG ARG A 119 -20.923 26.531 -11.986 1.00 71.40 C ATOM 1646 CD ARG A 119 -20.629 25.761 -13.273 1.00 24.31 C ATOM 1647 NE ARG A 119 -19.199 25.478 -13.414 1.00 23.33 N ATOM 1648 CZ ARG A 119 -18.591 24.941 -14.468 1.00 55.34 C ATOM 1649 NH1 ARG A 119 -19.299 24.403 -15.460 1.00 53.04 N ATOM 1650 NH2 ARG A 119 -17.270 24.930 -14.483 1.00 43.23 N ATOM 0 H ARG A 119 -20.052 30.718 -12.647 1.00 34.24 H new ATOM 0 HA ARG A 119 -19.442 28.130 -13.827 1.00 63.50 H new ATOM 0 HB2 ARG A 119 -19.082 27.547 -11.513 1.00 32.45 H new ATOM 0 HB3 ARG A 119 -20.522 28.409 -11.007 1.00 32.45 H new ATOM 0 HG2 ARG A 119 -20.737 25.877 -11.134 1.00 71.40 H new ATOM 0 HG3 ARG A 119 -21.982 26.790 -11.964 1.00 71.40 H new ATOM 0 HD2 ARG A 119 -21.188 24.825 -13.274 1.00 24.31 H new ATOM 0 HD3 ARG A 119 -20.973 26.339 -14.131 1.00 24.31 H new ATOM 0 HE ARG A 119 -18.606 25.718 -12.619 1.00 23.33 H new ATOM 0 HH11 ARG A 119 -20.318 24.400 -15.416 1.00 53.04 H new ATOM 0 HH12 ARG A 119 -18.822 23.994 -16.263 1.00 53.04 H new ATOM 0 HH21 ARG A 119 -16.748 25.326 -13.701 1.00 43.23 H new ATOM 0 HH22 ARG A 119 -16.772 24.526 -15.276 1.00 43.23 H new ATOM 1661 N ILE A 120 -21.491 29.017 -14.996 1.00 23.31 N ATOM 1662 CA ILE A 120 -22.754 29.159 -15.718 1.00 0.24 C ATOM 1663 C ILE A 120 -22.654 28.346 -17.011 1.00 12.45 C ATOM 1664 O ILE A 120 -21.725 28.519 -17.798 1.00 61.50 O ATOM 1665 CB ILE A 120 -23.103 30.643 -16.015 1.00 72.30 C ATOM 1666 CG1 ILE A 120 -23.035 31.529 -14.749 1.00 42.44 C ATOM 1667 CG2 ILE A 120 -24.509 30.745 -16.644 1.00 21.14 C ATOM 1668 CD1 ILE A 120 -23.232 33.030 -14.992 1.00 40.31 C ATOM 0 H ILE A 120 -20.679 28.960 -15.611 1.00 23.31 H new ATOM 0 HA ILE A 120 -23.565 28.783 -15.094 1.00 0.24 H new ATOM 0 HB ILE A 120 -22.355 31.012 -16.717 1.00 72.30 H new ATOM 0 HG12 ILE A 120 -23.794 31.188 -14.045 1.00 42.44 H new ATOM 0 HG13 ILE A 120 -22.067 31.378 -14.271 1.00 42.44 H new ATOM 0 HG21 ILE A 120 -24.742 31.790 -16.847 1.00 21.14 H new ATOM 0 HG22 ILE A 120 -24.533 30.180 -17.576 1.00 21.14 H new ATOM 0 HG23 ILE A 120 -25.247 30.337 -15.953 1.00 21.14 H new ATOM 0 HD11 ILE A 120 -23.167 33.564 -14.044 1.00 40.31 H new ATOM 0 HD12 ILE A 120 -22.458 33.394 -15.667 1.00 40.31 H new ATOM 0 HD13 ILE A 120 -24.212 33.201 -15.438 1.00 40.31 H new ATOM 1679 N SER A 121 -23.651 27.507 -17.258 1.00 35.14 N ATOM 1680 CA SER A 121 -23.925 26.863 -18.536 1.00 15.12 C ATOM 1681 C SER A 121 -25.416 27.014 -18.841 1.00 34.31 C ATOM 1682 O SER A 121 -26.179 27.437 -17.970 1.00 53.22 O ATOM 1683 CB SER A 121 -23.539 25.380 -18.472 1.00 20.33 C ATOM 1684 OG SER A 121 -22.203 25.204 -18.038 1.00 11.14 O ATOM 0 H SER A 121 -24.323 27.244 -16.538 1.00 35.14 H new ATOM 0 HA SER A 121 -23.337 27.331 -19.326 1.00 15.12 H new ATOM 0 HB2 SER A 121 -24.214 24.858 -17.794 1.00 20.33 H new ATOM 0 HB3 SER A 121 -23.664 24.929 -19.456 1.00 20.33 H new ATOM 0 HG SER A 121 -21.992 24.247 -18.008 1.00 11.14 H new ATOM 1689 N ALA A 122 -25.838 26.634 -20.051 1.00 24.43 N ATOM 1690 CA ALA A 122 -27.216 26.626 -20.526 1.00 4.32 C ATOM 1691 C ALA A 122 -27.947 27.919 -20.146 1.00 15.43 C ATOM 1692 O ALA A 122 -28.973 27.888 -19.461 1.00 34.43 O ATOM 1693 CB ALA A 122 -27.924 25.348 -20.051 1.00 51.44 C ATOM 0 H ALA A 122 -25.185 26.306 -20.763 1.00 24.43 H new ATOM 0 HA ALA A 122 -27.226 26.605 -21.616 1.00 4.32 H new ATOM 0 HB1 ALA A 122 -28.953 25.348 -20.409 1.00 51.44 H new ATOM 0 HB2 ALA A 122 -27.403 24.475 -20.445 1.00 51.44 H new ATOM 0 HB3 ALA A 122 -27.919 25.313 -18.962 1.00 51.44 H new ATOM 1699 N ALA A 123 -27.386 29.047 -20.580 1.00 42.12 N ATOM 1700 CA ALA A 123 -27.946 30.380 -20.418 1.00 43.02 C ATOM 1701 C ALA A 123 -27.764 31.111 -21.749 1.00 0.23 C ATOM 1702 O ALA A 123 -28.703 31.207 -22.529 1.00 44.22 O ATOM 1703 CB ALA A 123 -27.283 31.092 -19.229 1.00 51.24 C ATOM 0 H ALA A 123 -26.493 29.053 -21.073 1.00 42.12 H new ATOM 0 HA ALA A 123 -29.010 30.351 -20.182 1.00 43.02 H new ATOM 0 HB1 ALA A 123 -27.710 32.089 -19.118 1.00 51.24 H new ATOM 0 HB2 ALA A 123 -27.457 30.519 -18.318 1.00 51.24 H new ATOM 0 HB3 ALA A 123 -26.211 31.175 -19.406 1.00 51.24 H new ATOM 1709 N SER A 124 -26.546 31.565 -22.042 1.00 14.43 N ATOM 1710 CA SER A 124 -26.148 32.064 -23.351 1.00 52.44 C ATOM 1711 C SER A 124 -24.631 31.897 -23.475 1.00 60.51 C ATOM 1712 O SER A 124 -23.975 31.431 -22.535 1.00 43.44 O ATOM 1713 CB SER A 124 -26.613 33.522 -23.496 1.00 53.14 C ATOM 1714 OG SER A 124 -26.448 33.975 -24.826 1.00 62.42 O ATOM 0 H SER A 124 -25.792 31.595 -21.356 1.00 14.43 H new ATOM 0 HA SER A 124 -26.614 31.506 -24.163 1.00 52.44 H new ATOM 0 HB2 SER A 124 -27.661 33.604 -23.207 1.00 53.14 H new ATOM 0 HB3 SER A 124 -26.045 34.158 -22.818 1.00 53.14 H new ATOM 0 HG SER A 124 -26.752 34.904 -24.895 1.00 62.42 H new ATOM 1719 N VAL A 125 -24.063 32.252 -24.625 1.00 74.20 N ATOM 1720 CA VAL A 125 -22.631 32.282 -24.877 1.00 22.12 C ATOM 1721 C VAL A 125 -22.383 33.335 -25.960 1.00 35.44 C ATOM 1722 O VAL A 125 -23.157 33.442 -26.911 1.00 54.00 O ATOM 1723 CB VAL A 125 -22.124 30.864 -25.240 1.00 54.30 C ATOM 1724 CG1 VAL A 125 -22.845 30.221 -26.438 1.00 2.41 C ATOM 1725 CG2 VAL A 125 -20.608 30.853 -25.483 1.00 53.40 C ATOM 0 H VAL A 125 -24.612 32.537 -25.436 1.00 74.20 H new ATOM 0 HA VAL A 125 -22.061 32.567 -23.993 1.00 22.12 H new ATOM 0 HB VAL A 125 -22.362 30.255 -24.368 1.00 54.30 H new ATOM 0 HG11 VAL A 125 -22.429 29.231 -26.624 1.00 2.41 H new ATOM 0 HG12 VAL A 125 -23.909 30.132 -26.218 1.00 2.41 H new ATOM 0 HG13 VAL A 125 -22.708 30.844 -27.322 1.00 2.41 H new ATOM 0 HG21 VAL A 125 -20.287 29.842 -25.735 1.00 53.40 H new ATOM 0 HG22 VAL A 125 -20.366 31.526 -26.305 1.00 53.40 H new ATOM 0 HG23 VAL A 125 -20.093 31.183 -24.581 1.00 53.40 H new ATOM 1735 N ALA A 126 -21.304 34.107 -25.826 1.00 60.23 N ATOM 1736 CA ALA A 126 -20.831 35.060 -26.819 1.00 0.04 C ATOM 1737 C ALA A 126 -19.313 35.093 -26.664 1.00 51.31 C ATOM 1738 O ALA A 126 -18.777 35.894 -25.899 1.00 53.12 O ATOM 1739 CB ALA A 126 -21.480 36.434 -26.599 1.00 15.32 C ATOM 0 H ALA A 126 -20.718 34.082 -24.992 1.00 60.23 H new ATOM 0 HA ALA A 126 -21.102 34.773 -27.835 1.00 0.04 H new ATOM 0 HB1 ALA A 126 -21.114 37.134 -27.351 1.00 15.32 H new ATOM 0 HB2 ALA A 126 -22.563 36.343 -26.684 1.00 15.32 H new ATOM 0 HB3 ALA A 126 -21.224 36.802 -25.606 1.00 15.32 H new ATOM 1745 N SER A 127 -18.627 34.116 -27.259 1.00 32.11 N ATOM 1746 CA SER A 127 -17.221 33.838 -26.949 1.00 34.52 C ATOM 1747 C SER A 127 -16.450 33.259 -28.144 1.00 1.15 C ATOM 1748 O SER A 127 -15.328 32.785 -27.984 1.00 21.33 O ATOM 1749 CB SER A 127 -17.153 32.902 -25.731 1.00 3.25 C ATOM 1750 OG SER A 127 -17.985 33.370 -24.678 1.00 74.10 O ATOM 0 H SER A 127 -19.026 33.498 -27.965 1.00 32.11 H new ATOM 0 HA SER A 127 -16.731 34.783 -26.715 1.00 34.52 H new ATOM 0 HB2 SER A 127 -17.461 31.898 -26.023 1.00 3.25 H new ATOM 0 HB3 SER A 127 -16.123 32.831 -25.381 1.00 3.25 H new ATOM 0 HG SER A 127 -17.925 32.756 -23.916 1.00 74.10 H new ATOM 1755 N THR A 128 -17.049 33.262 -29.335 1.00 62.13 N ATOM 1756 CA THR A 128 -16.388 32.893 -30.577 1.00 55.41 C ATOM 1757 C THR A 128 -15.314 33.932 -30.921 1.00 11.11 C ATOM 1758 O THR A 128 -15.491 35.117 -30.633 1.00 0.44 O ATOM 1759 CB THR A 128 -17.463 32.828 -31.679 1.00 0.45 C ATOM 1760 OG1 THR A 128 -18.370 33.914 -31.552 1.00 20.42 O ATOM 1761 CG2 THR A 128 -18.279 31.534 -31.580 1.00 42.34 C ATOM 0 H THR A 128 -18.026 33.527 -29.461 1.00 62.13 H new ATOM 0 HA THR A 128 -15.896 31.925 -30.484 1.00 55.41 H new ATOM 0 HB THR A 128 -16.942 32.869 -32.636 1.00 0.45 H new ATOM 0 HG1 THR A 128 -19.046 33.860 -32.260 1.00 20.42 H new ATOM 0 HG21 THR A 128 -19.030 31.516 -32.370 1.00 42.34 H new ATOM 0 HG22 THR A 128 -17.616 30.676 -31.690 1.00 42.34 H new ATOM 0 HG23 THR A 128 -18.773 31.489 -30.609 1.00 42.34 H new ATOM 1769 N ALA A 129 -14.258 33.506 -31.613 1.00 22.22 N ATOM 1770 CA ALA A 129 -13.269 34.357 -32.258 1.00 22.42 C ATOM 1771 C ALA A 129 -12.953 33.742 -33.625 1.00 53.00 C ATOM 1772 O ALA A 129 -13.401 32.629 -33.912 1.00 62.31 O ATOM 1773 CB ALA A 129 -12.019 34.466 -31.375 1.00 73.24 C ATOM 0 H ALA A 129 -14.063 32.513 -31.743 1.00 22.22 H new ATOM 0 HA ALA A 129 -13.647 35.370 -32.398 1.00 22.42 H new ATOM 0 HB1 ALA A 129 -11.283 35.104 -31.864 1.00 73.24 H new ATOM 0 HB2 ALA A 129 -12.291 34.897 -30.411 1.00 73.24 H new ATOM 0 HB3 ALA A 129 -11.594 33.474 -31.222 1.00 73.24 H new ATOM 1779 N ILE A 130 -12.189 34.456 -34.447 1.00 72.34 N ATOM 1780 CA ILE A 130 -11.706 34.034 -35.758 1.00 63.51 C ATOM 1781 C ILE A 130 -10.255 34.520 -35.902 1.00 0.33 C ATOM 1782 O ILE A 130 -9.729 35.163 -34.988 1.00 55.22 O ATOM 1783 CB ILE A 130 -12.620 34.564 -36.896 1.00 42.41 C ATOM 1784 CG1 ILE A 130 -12.662 36.111 -36.948 1.00 75.11 C ATOM 1785 CG2 ILE A 130 -14.037 33.969 -36.780 1.00 55.13 C ATOM 1786 CD1 ILE A 130 -13.342 36.660 -38.209 1.00 21.14 C ATOM 0 H ILE A 130 -11.873 35.395 -34.203 1.00 72.34 H new ATOM 0 HA ILE A 130 -11.734 32.947 -35.840 1.00 63.51 H new ATOM 0 HB ILE A 130 -12.184 34.233 -37.839 1.00 42.41 H new ATOM 0 HG12 ILE A 130 -13.189 36.483 -36.069 1.00 75.11 H new ATOM 0 HG13 ILE A 130 -11.644 36.497 -36.896 1.00 75.11 H new ATOM 0 HG21 ILE A 130 -14.660 34.354 -37.587 1.00 55.13 H new ATOM 0 HG22 ILE A 130 -13.982 32.883 -36.850 1.00 55.13 H new ATOM 0 HG23 ILE A 130 -14.472 34.249 -35.821 1.00 55.13 H new ATOM 0 HD11 ILE A 130 -13.337 37.750 -38.180 1.00 21.14 H new ATOM 0 HD12 ILE A 130 -12.802 36.318 -39.092 1.00 21.14 H new ATOM 0 HD13 ILE A 130 -14.371 36.303 -38.252 1.00 21.14 H new ATOM 1797 N ALA A 131 -9.644 34.235 -37.047 1.00 2.34 N ATOM 1798 CA ALA A 131 -8.519 34.944 -37.625 1.00 2.05 C ATOM 1799 C ALA A 131 -8.919 35.232 -39.070 1.00 63.21 C ATOM 1800 O ALA A 131 -8.284 36.122 -39.667 1.00 14.12 O ATOM 1801 CB ALA A 131 -7.243 34.097 -37.552 1.00 52.40 C ATOM 0 H ALA A 131 -9.944 33.453 -37.629 1.00 2.34 H new ATOM 0 HA ALA A 131 -8.297 35.864 -37.085 1.00 2.05 H new ATOM 0 HB1 ALA A 131 -6.413 34.650 -37.992 1.00 52.40 H new ATOM 0 HB2 ALA A 131 -7.016 33.870 -36.510 1.00 52.40 H new ATOM 0 HB3 ALA A 131 -7.391 33.168 -38.102 1.00 52.40 H new TER 1807 ALA A 131