USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 675 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 47 LYS NZ :NH3+ -122:sc= 0.495 (180deg=-0.379) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= -0.0188 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.105) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -3.56! C(o=-3.6!,f=-4.3!) USER MOD Single : A 43 CYS SG : rot -86:sc= 0.00978 USER MOD Single : A 49 ASN : amide:sc= -1.85 K(o=-1.8,f=-4!) USER MOD Single : A 51 ASN :FLIP amide:sc= -4.36 F(o=-5.1!,f=-4.4) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -34:sc= -1.02 USER MOD Single : A 63 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.7) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 7:sc= 0.527 USER MOD Single : A 89 SER OG : rot 180:sc= -0.271 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.339 -23.131 -34.437 1.00 0.00 N ATOM 2 CA GLY A 1 2.506 -23.615 -33.080 1.00 0.00 C ATOM 3 C GLY A 1 1.499 -23.009 -32.120 1.00 0.00 C ATOM 4 O GLY A 1 1.737 -21.944 -31.551 1.00 0.00 O ATOM 0 H1 GLY A 1 3.050 -23.574 -35.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.386 -23.373 -34.777 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.461 -22.098 -34.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.406 -24.700 -33.070 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.515 -23.385 -32.737 1.00 0.00 H new ATOM 8 N SER A 2 0.371 -23.688 -31.942 1.00 0.00 N ATOM 9 CA SER A 2 -0.678 -23.208 -31.051 1.00 0.00 C ATOM 10 C SER A 2 -0.183 -23.159 -29.608 1.00 0.00 C ATOM 11 O SER A 2 0.228 -24.174 -29.046 1.00 0.00 O ATOM 12 CB SER A 2 -1.912 -24.107 -31.149 1.00 0.00 C ATOM 13 OG SER A 2 -2.799 -23.647 -32.154 1.00 0.00 O ATOM 0 H SER A 2 0.160 -24.573 -32.403 1.00 0.00 H new ATOM 0 HA SER A 2 -0.949 -22.198 -31.359 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.605 -25.129 -31.371 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.426 -24.130 -30.188 1.00 0.00 H new ATOM 0 HG SER A 2 -3.579 -24.239 -32.198 1.00 0.00 H new ATOM 19 N SER A 3 -0.228 -21.971 -29.014 1.00 0.00 N ATOM 20 CA SER A 3 0.219 -21.787 -27.638 1.00 0.00 C ATOM 21 C SER A 3 -0.861 -22.224 -26.653 1.00 0.00 C ATOM 22 O SER A 3 -1.970 -21.694 -26.655 1.00 0.00 O ATOM 23 CB SER A 3 0.589 -20.324 -27.390 1.00 0.00 C ATOM 24 OG SER A 3 1.551 -19.875 -28.329 1.00 0.00 O ATOM 0 H SER A 3 -0.569 -21.122 -29.464 1.00 0.00 H new ATOM 0 HA SER A 3 1.101 -22.408 -27.483 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.305 -19.703 -27.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.982 -20.211 -26.380 1.00 0.00 H new ATOM 0 HG SER A 3 1.769 -18.937 -28.150 1.00 0.00 H new ATOM 30 N GLY A 4 -0.527 -23.198 -25.811 1.00 0.00 N ATOM 31 CA GLY A 4 -1.478 -23.691 -24.832 1.00 0.00 C ATOM 32 C GLY A 4 -2.232 -22.572 -24.142 1.00 0.00 C ATOM 33 O GLY A 4 -1.661 -21.525 -23.838 1.00 0.00 O ATOM 0 H GLY A 4 0.385 -23.654 -25.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.189 -24.355 -25.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.951 -24.285 -24.085 1.00 0.00 H new ATOM 37 N SER A 5 -3.519 -22.793 -23.893 1.00 0.00 N ATOM 38 CA SER A 5 -4.353 -21.792 -23.239 1.00 0.00 C ATOM 39 C SER A 5 -5.287 -22.443 -22.223 1.00 0.00 C ATOM 40 O SER A 5 -5.661 -23.608 -22.365 1.00 0.00 O ATOM 41 CB SER A 5 -5.171 -21.021 -24.278 1.00 0.00 C ATOM 42 OG SER A 5 -5.479 -19.716 -23.818 1.00 0.00 O ATOM 0 H SER A 5 -4.006 -23.656 -24.134 1.00 0.00 H new ATOM 0 HA SER A 5 -3.698 -21.097 -22.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.612 -20.958 -25.212 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.093 -21.561 -24.494 1.00 0.00 H new ATOM 0 HG SER A 5 -6.000 -19.243 -24.500 1.00 0.00 H new ATOM 48 N SER A 6 -5.657 -21.683 -21.197 1.00 0.00 N ATOM 49 CA SER A 6 -6.543 -22.186 -20.154 1.00 0.00 C ATOM 50 C SER A 6 -7.760 -21.281 -19.991 1.00 0.00 C ATOM 51 O SER A 6 -8.899 -21.744 -20.006 1.00 0.00 O ATOM 52 CB SER A 6 -5.792 -22.294 -18.826 1.00 0.00 C ATOM 53 OG SER A 6 -5.090 -23.522 -18.734 1.00 0.00 O ATOM 0 H SER A 6 -5.357 -20.717 -21.066 1.00 0.00 H new ATOM 0 HA SER A 6 -6.887 -23.177 -20.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.092 -21.464 -18.732 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.497 -22.212 -17.999 1.00 0.00 H new ATOM 0 HG SER A 6 -4.617 -23.565 -17.877 1.00 0.00 H new ATOM 59 N GLY A 7 -7.508 -19.984 -19.834 1.00 0.00 N ATOM 60 CA GLY A 7 -8.592 -19.033 -19.670 1.00 0.00 C ATOM 61 C GLY A 7 -8.095 -17.636 -19.357 1.00 0.00 C ATOM 62 O GLY A 7 -7.932 -16.810 -20.256 1.00 0.00 O ATOM 0 H GLY A 7 -6.573 -19.576 -19.818 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.189 -19.007 -20.581 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.249 -19.370 -18.868 1.00 0.00 H new ATOM 66 N LYS A 8 -7.852 -17.369 -18.079 1.00 0.00 N ATOM 67 CA LYS A 8 -7.370 -16.061 -17.648 1.00 0.00 C ATOM 68 C LYS A 8 -6.002 -16.178 -16.983 1.00 0.00 C ATOM 69 O LYS A 8 -5.607 -17.241 -16.502 1.00 0.00 O ATOM 70 CB LYS A 8 -8.367 -15.422 -16.679 1.00 0.00 C ATOM 71 CG LYS A 8 -9.441 -14.597 -17.367 1.00 0.00 C ATOM 72 CD LYS A 8 -10.511 -15.481 -17.985 1.00 0.00 C ATOM 73 CE LYS A 8 -11.822 -14.730 -18.159 1.00 0.00 C ATOM 74 NZ LYS A 8 -11.904 -14.054 -19.483 1.00 0.00 N ATOM 0 H LYS A 8 -7.981 -18.041 -17.322 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.273 -15.428 -18.530 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.844 -16.207 -16.092 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.824 -14.786 -15.980 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.899 -13.920 -16.646 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.986 -13.979 -18.141 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.168 -15.846 -18.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.672 -16.355 -17.354 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.655 -15.425 -18.054 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.924 -13.989 -17.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.812 -13.554 -19.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.124 -13.372 -19.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.833 -14.764 -20.240 1.00 0.00 H new ATOM 88 N PRO A 9 -5.261 -15.061 -16.952 1.00 0.00 N ATOM 89 CA PRO A 9 -3.927 -15.012 -16.347 1.00 0.00 C ATOM 90 C PRO A 9 -3.974 -15.139 -14.829 1.00 0.00 C ATOM 91 O PRO A 9 -4.927 -14.713 -14.175 1.00 0.00 O ATOM 92 CB PRO A 9 -3.404 -13.631 -16.753 1.00 0.00 C ATOM 93 CG PRO A 9 -4.628 -12.813 -16.974 1.00 0.00 C ATOM 94 CD PRO A 9 -5.668 -13.758 -17.507 1.00 0.00 C ATOM 0 HA PRO A 9 -3.297 -15.837 -16.681 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.776 -13.201 -15.973 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.797 -13.687 -17.657 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.961 -12.350 -16.045 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.435 -12.006 -17.681 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.670 -13.478 -17.182 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.679 -13.771 -18.597 1.00 0.00 H new ATOM 102 N PRO A 10 -2.923 -15.737 -14.251 1.00 0.00 N ATOM 103 CA PRO A 10 -2.821 -15.933 -12.802 1.00 0.00 C ATOM 104 C PRO A 10 -2.609 -14.621 -12.053 1.00 0.00 C ATOM 105 O PRO A 10 -1.947 -13.710 -12.550 1.00 0.00 O ATOM 106 CB PRO A 10 -1.595 -16.838 -12.651 1.00 0.00 C ATOM 107 CG PRO A 10 -0.774 -16.569 -13.864 1.00 0.00 C ATOM 108 CD PRO A 10 -1.751 -16.270 -14.968 1.00 0.00 C ATOM 0 HA PRO A 10 -3.734 -16.356 -12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.043 -16.608 -11.740 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.883 -17.888 -12.592 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.100 -15.728 -13.701 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.154 -17.430 -14.114 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.349 -15.545 -15.675 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.001 -17.165 -15.537 1.00 0.00 H new ATOM 116 N THR A 11 -3.176 -14.531 -10.853 1.00 0.00 N ATOM 117 CA THR A 11 -3.051 -13.331 -10.037 1.00 0.00 C ATOM 118 C THR A 11 -2.531 -13.666 -8.642 1.00 0.00 C ATOM 119 O THR A 11 -2.545 -14.825 -8.227 1.00 0.00 O ATOM 120 CB THR A 11 -4.397 -12.596 -9.908 1.00 0.00 C ATOM 121 OG1 THR A 11 -5.405 -13.498 -9.439 1.00 0.00 O ATOM 122 CG2 THR A 11 -4.821 -12.005 -11.243 1.00 0.00 C ATOM 0 H THR A 11 -3.726 -15.276 -10.426 1.00 0.00 H new ATOM 0 HA THR A 11 -2.337 -12.679 -10.541 1.00 0.00 H new ATOM 0 HB THR A 11 -4.275 -11.784 -9.191 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.258 -13.022 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.775 -11.491 -11.127 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.066 -11.297 -11.584 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.927 -12.804 -11.977 1.00 0.00 H new ATOM 130 N TYR A 12 -2.076 -12.646 -7.924 1.00 0.00 N ATOM 131 CA TYR A 12 -1.552 -12.833 -6.578 1.00 0.00 C ATOM 132 C TYR A 12 -2.603 -12.479 -5.529 1.00 0.00 C ATOM 133 O TYR A 12 -2.870 -11.305 -5.276 1.00 0.00 O ATOM 134 CB TYR A 12 -0.301 -11.977 -6.371 1.00 0.00 C ATOM 135 CG TYR A 12 0.683 -12.569 -5.387 1.00 0.00 C ATOM 136 CD1 TYR A 12 0.246 -13.163 -4.211 1.00 0.00 C ATOM 137 CD2 TYR A 12 2.050 -12.535 -5.637 1.00 0.00 C ATOM 138 CE1 TYR A 12 1.142 -13.705 -3.309 1.00 0.00 C ATOM 139 CE2 TYR A 12 2.952 -13.075 -4.741 1.00 0.00 C ATOM 140 CZ TYR A 12 2.493 -13.659 -3.579 1.00 0.00 C ATOM 141 OH TYR A 12 3.389 -14.199 -2.685 1.00 0.00 O ATOM 0 H TYR A 12 -2.060 -11.680 -8.252 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.288 -13.884 -6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.197 -11.838 -7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.601 -10.989 -6.022 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.812 -13.202 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.413 -12.079 -6.546 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.786 -14.162 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.011 -13.040 -4.949 1.00 0.00 H new ATOM 0 HH TYR A 12 4.301 -14.085 -3.026 1.00 0.00 H new ATOM 151 N GLN A 13 -3.194 -13.505 -4.925 1.00 0.00 N ATOM 152 CA GLN A 13 -4.216 -13.302 -3.905 1.00 0.00 C ATOM 153 C GLN A 13 -3.722 -13.769 -2.540 1.00 0.00 C ATOM 154 O GLN A 13 -4.172 -13.278 -1.504 1.00 0.00 O ATOM 155 CB GLN A 13 -5.497 -14.051 -4.280 1.00 0.00 C ATOM 156 CG GLN A 13 -6.602 -13.922 -3.245 1.00 0.00 C ATOM 157 CD GLN A 13 -7.420 -12.657 -3.420 1.00 0.00 C ATOM 158 OE1 GLN A 13 -8.519 -12.686 -3.977 1.00 0.00 O ATOM 159 NE2 GLN A 13 -6.889 -11.537 -2.943 1.00 0.00 N ATOM 0 H GLN A 13 -2.983 -14.483 -5.124 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.431 -12.235 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.861 -13.675 -5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.263 -15.106 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.260 -14.788 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.163 -13.931 -2.247 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.976 -11.559 -2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.394 -10.655 -3.031 1.00 0.00 H new ATOM 168 N VAL A 14 -2.794 -14.720 -2.545 1.00 0.00 N ATOM 169 CA VAL A 14 -2.237 -15.252 -1.307 1.00 0.00 C ATOM 170 C VAL A 14 -1.129 -14.351 -0.770 1.00 0.00 C ATOM 171 O VAL A 14 -0.077 -14.830 -0.345 1.00 0.00 O ATOM 172 CB VAL A 14 -1.675 -16.672 -1.510 1.00 0.00 C ATOM 173 CG1 VAL A 14 -2.779 -17.627 -1.937 1.00 0.00 C ATOM 174 CG2 VAL A 14 -0.547 -16.658 -2.529 1.00 0.00 C ATOM 0 H VAL A 14 -2.412 -15.138 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.052 -15.291 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.271 -17.023 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.363 -18.625 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.550 -17.659 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.216 -17.282 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.162 -17.669 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.923 -16.287 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.254 -16.008 -2.176 1.00 0.00 H new ATOM 184 N LEU A 15 -1.374 -13.046 -0.792 1.00 0.00 N ATOM 185 CA LEU A 15 -0.398 -12.076 -0.306 1.00 0.00 C ATOM 186 C LEU A 15 -0.745 -11.614 1.106 1.00 0.00 C ATOM 187 O LEU A 15 -1.860 -11.830 1.582 1.00 0.00 O ATOM 188 CB LEU A 15 -0.333 -10.873 -1.248 1.00 0.00 C ATOM 189 CG LEU A 15 -1.604 -10.028 -1.345 1.00 0.00 C ATOM 190 CD1 LEU A 15 -1.259 -8.578 -1.648 1.00 0.00 C ATOM 191 CD2 LEU A 15 -2.537 -10.589 -2.407 1.00 0.00 C ATOM 0 H LEU A 15 -2.240 -12.635 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 15 0.578 -12.561 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.485 -10.228 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.082 -11.231 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.116 -10.065 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.176 -7.992 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.630 -8.180 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.724 -8.522 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.436 -9.975 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.033 -10.583 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.811 -11.612 -2.147 1.00 0.00 H new ATOM 203 N GLU A 16 0.214 -10.977 1.767 1.00 0.00 N ATOM 204 CA GLU A 16 0.009 -10.484 3.124 1.00 0.00 C ATOM 205 C GLU A 16 -0.149 -8.965 3.132 1.00 0.00 C ATOM 206 O GLU A 16 -1.141 -8.436 3.634 1.00 0.00 O ATOM 207 CB GLU A 16 1.179 -10.890 4.022 1.00 0.00 C ATOM 208 CG GLU A 16 1.400 -12.392 4.090 1.00 0.00 C ATOM 209 CD GLU A 16 0.249 -13.122 4.752 1.00 0.00 C ATOM 210 OE1 GLU A 16 -0.751 -13.407 4.060 1.00 0.00 O ATOM 211 OE2 GLU A 16 0.348 -13.410 5.963 1.00 0.00 O ATOM 0 H GLU A 16 1.141 -10.790 1.386 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.907 -10.931 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.089 -10.413 3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.002 -10.511 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.540 -12.781 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.319 -12.596 4.640 1.00 0.00 H new ATOM 218 N TYR A 17 0.836 -8.271 2.574 1.00 0.00 N ATOM 219 CA TYR A 17 0.809 -6.814 2.520 1.00 0.00 C ATOM 220 C TYR A 17 -0.507 -6.316 1.931 1.00 0.00 C ATOM 221 O TYR A 17 -1.172 -7.026 1.178 1.00 0.00 O ATOM 222 CB TYR A 17 1.983 -6.293 1.688 1.00 0.00 C ATOM 223 CG TYR A 17 3.263 -6.138 2.479 1.00 0.00 C ATOM 224 CD1 TYR A 17 3.896 -7.243 3.037 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.839 -4.888 2.667 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.065 -7.106 3.760 1.00 0.00 C ATOM 227 CE2 TYR A 17 5.009 -4.742 3.389 1.00 0.00 C ATOM 228 CZ TYR A 17 5.618 -5.854 3.933 1.00 0.00 C ATOM 229 OH TYR A 17 6.783 -5.715 4.652 1.00 0.00 O ATOM 0 H TYR A 17 1.663 -8.693 2.153 1.00 0.00 H new ATOM 0 HA TYR A 17 0.897 -6.435 3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.160 -6.975 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.713 -5.329 1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.467 -8.225 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.365 -4.016 2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.544 -7.975 4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.444 -3.763 3.526 1.00 0.00 H new ATOM 0 HH TYR A 17 7.040 -4.770 4.679 1.00 0.00 H new ATOM 239 N GLY A 18 -0.875 -5.086 2.279 1.00 0.00 N ATOM 240 CA GLY A 18 -2.109 -4.512 1.776 1.00 0.00 C ATOM 241 C GLY A 18 -2.106 -4.359 0.268 1.00 0.00 C ATOM 242 O GLY A 18 -1.049 -4.202 -0.343 1.00 0.00 O ATOM 0 H GLY A 18 -0.341 -4.478 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.947 -5.143 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.266 -3.537 2.237 1.00 0.00 H new ATOM 246 N GLU A 19 -3.291 -4.407 -0.333 1.00 0.00 N ATOM 247 CA GLU A 19 -3.418 -4.275 -1.779 1.00 0.00 C ATOM 248 C GLU A 19 -4.364 -3.132 -2.140 1.00 0.00 C ATOM 249 O GLU A 19 -5.485 -3.060 -1.640 1.00 0.00 O ATOM 250 CB GLU A 19 -3.926 -5.583 -2.390 1.00 0.00 C ATOM 251 CG GLU A 19 -3.956 -5.575 -3.909 1.00 0.00 C ATOM 252 CD GLU A 19 -4.489 -6.870 -4.490 1.00 0.00 C ATOM 253 OE1 GLU A 19 -5.722 -6.985 -4.650 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.674 -7.769 -4.784 1.00 0.00 O ATOM 0 H GLU A 19 -4.175 -4.536 0.159 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.432 -4.051 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.292 -6.402 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.930 -5.783 -2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.575 -4.746 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.949 -5.399 -4.287 1.00 0.00 H new ATOM 261 N ALA A 20 -3.901 -2.243 -3.013 1.00 0.00 N ATOM 262 CA ALA A 20 -4.704 -1.105 -3.442 1.00 0.00 C ATOM 263 C ALA A 20 -4.495 -0.813 -4.924 1.00 0.00 C ATOM 264 O ALA A 20 -3.394 -0.976 -5.450 1.00 0.00 O ATOM 265 CB ALA A 20 -4.369 0.122 -2.608 1.00 0.00 C ATOM 0 H ALA A 20 -2.974 -2.289 -3.437 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.754 -1.356 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.976 0.964 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.577 -0.084 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.314 0.366 -2.728 1.00 0.00 H new ATOM 271 N VAL A 21 -5.560 -0.381 -5.593 1.00 0.00 N ATOM 272 CA VAL A 21 -5.492 -0.067 -7.016 1.00 0.00 C ATOM 273 C VAL A 21 -5.863 1.389 -7.274 1.00 0.00 C ATOM 274 O VAL A 21 -6.979 1.817 -6.982 1.00 0.00 O ATOM 275 CB VAL A 21 -6.424 -0.976 -7.836 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.392 -0.588 -9.307 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.039 -2.437 -7.654 1.00 0.00 C ATOM 0 H VAL A 21 -6.479 -0.241 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.462 -0.238 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.443 -0.844 -7.472 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.057 -1.242 -9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.720 0.446 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.376 -0.689 -9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.709 -3.066 -8.241 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.013 -2.587 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.119 -2.706 -6.601 1.00 0.00 H new ATOM 287 N ALA A 22 -4.919 2.146 -7.824 1.00 0.00 N ATOM 288 CA ALA A 22 -5.148 3.554 -8.125 1.00 0.00 C ATOM 289 C ALA A 22 -6.340 3.729 -9.060 1.00 0.00 C ATOM 290 O ALA A 22 -6.384 3.140 -10.141 1.00 0.00 O ATOM 291 CB ALA A 22 -3.900 4.172 -8.738 1.00 0.00 C ATOM 0 H ALA A 22 -3.989 1.808 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.374 4.068 -7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.085 5.223 -8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.070 4.089 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.649 3.647 -9.660 1.00 0.00 H new ATOM 297 N GLN A 23 -7.304 4.540 -8.637 1.00 0.00 N ATOM 298 CA GLN A 23 -8.497 4.790 -9.437 1.00 0.00 C ATOM 299 C GLN A 23 -8.391 6.124 -10.169 1.00 0.00 C ATOM 300 O GLN A 23 -8.757 6.231 -11.340 1.00 0.00 O ATOM 301 CB GLN A 23 -9.743 4.780 -8.549 1.00 0.00 C ATOM 302 CG GLN A 23 -10.100 3.403 -8.017 1.00 0.00 C ATOM 303 CD GLN A 23 -10.458 2.425 -9.120 1.00 0.00 C ATOM 304 OE1 GLN A 23 -11.464 2.592 -9.810 1.00 0.00 O ATOM 305 NE2 GLN A 23 -9.633 1.398 -9.292 1.00 0.00 N ATOM 0 H GLN A 23 -7.282 5.035 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 23 -8.581 3.995 -10.178 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.585 5.455 -7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.587 5.171 -9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.259 3.009 -7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.940 3.491 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.811 1.299 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.822 0.708 -10.019 1.00 0.00 H new ATOM 314 N TYR A 24 -7.889 7.137 -9.473 1.00 0.00 N ATOM 315 CA TYR A 24 -7.738 8.465 -10.057 1.00 0.00 C ATOM 316 C TYR A 24 -6.293 8.945 -9.952 1.00 0.00 C ATOM 317 O TYR A 24 -5.660 8.826 -8.903 1.00 0.00 O ATOM 318 CB TYR A 24 -8.668 9.460 -9.362 1.00 0.00 C ATOM 319 CG TYR A 24 -10.099 8.980 -9.257 1.00 0.00 C ATOM 320 CD1 TYR A 24 -10.483 8.093 -8.259 1.00 0.00 C ATOM 321 CD2 TYR A 24 -11.065 9.414 -10.156 1.00 0.00 C ATOM 322 CE1 TYR A 24 -11.788 7.652 -8.161 1.00 0.00 C ATOM 323 CE2 TYR A 24 -12.373 8.979 -10.065 1.00 0.00 C ATOM 324 CZ TYR A 24 -12.729 8.097 -9.065 1.00 0.00 C ATOM 325 OH TYR A 24 -14.031 7.661 -8.969 1.00 0.00 O ATOM 0 H TYR A 24 -7.580 7.065 -8.504 1.00 0.00 H new ATOM 0 HA TYR A 24 -8.006 8.402 -11.112 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.287 9.662 -8.361 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.649 10.404 -9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.749 7.743 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.789 10.104 -10.940 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -12.070 6.962 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.112 9.327 -10.772 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.566 8.070 -9.681 1.00 0.00 H new ATOM 335 N THR A 25 -5.776 9.489 -11.050 1.00 0.00 N ATOM 336 CA THR A 25 -4.406 9.987 -11.084 1.00 0.00 C ATOM 337 C THR A 25 -4.186 11.065 -10.029 1.00 0.00 C ATOM 338 O THR A 25 -4.752 12.156 -10.114 1.00 0.00 O ATOM 339 CB THR A 25 -4.052 10.561 -12.468 1.00 0.00 C ATOM 340 OG1 THR A 25 -4.387 9.616 -13.491 1.00 0.00 O ATOM 341 CG2 THR A 25 -2.571 10.900 -12.551 1.00 0.00 C ATOM 0 H THR A 25 -6.285 9.596 -11.927 1.00 0.00 H new ATOM 0 HA THR A 25 -3.756 9.138 -10.873 1.00 0.00 H new ATOM 0 HB THR A 25 -4.627 11.475 -12.615 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.160 9.989 -14.368 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.345 11.304 -13.538 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.324 11.641 -11.791 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.981 9.998 -12.384 1.00 0.00 H new ATOM 349 N PHE A 26 -3.363 10.753 -9.034 1.00 0.00 N ATOM 350 CA PHE A 26 -3.069 11.695 -7.960 1.00 0.00 C ATOM 351 C PHE A 26 -1.741 12.404 -8.209 1.00 0.00 C ATOM 352 O PHE A 26 -0.864 11.883 -8.899 1.00 0.00 O ATOM 353 CB PHE A 26 -3.029 10.971 -6.614 1.00 0.00 C ATOM 354 CG PHE A 26 -2.923 11.899 -5.437 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.975 12.736 -5.101 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.771 11.934 -4.668 1.00 0.00 C ATOM 357 CE1 PHE A 26 -3.878 13.591 -4.019 1.00 0.00 C ATOM 358 CE2 PHE A 26 -1.670 12.786 -3.585 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.725 13.615 -3.259 1.00 0.00 C ATOM 0 H PHE A 26 -2.887 9.855 -8.949 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.862 12.442 -7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.929 10.366 -6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.181 10.286 -6.604 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.880 12.720 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.942 11.288 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.704 14.240 -3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.766 12.804 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.649 14.281 -2.412 1.00 0.00 H new ATOM 369 N LYS A 27 -1.598 13.597 -7.641 1.00 0.00 N ATOM 370 CA LYS A 27 -0.378 14.380 -7.798 1.00 0.00 C ATOM 371 C LYS A 27 0.116 14.895 -6.450 1.00 0.00 C ATOM 372 O LYS A 27 -0.483 15.794 -5.862 1.00 0.00 O ATOM 373 CB LYS A 27 -0.620 15.555 -8.749 1.00 0.00 C ATOM 374 CG LYS A 27 0.560 16.506 -8.851 1.00 0.00 C ATOM 375 CD LYS A 27 0.164 17.816 -9.513 1.00 0.00 C ATOM 376 CE LYS A 27 1.349 18.762 -9.631 1.00 0.00 C ATOM 377 NZ LYS A 27 1.533 19.577 -8.397 1.00 0.00 N ATOM 0 H LYS A 27 -2.313 14.043 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 27 0.389 13.731 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.851 15.167 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.496 16.110 -8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.955 16.705 -7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.360 16.035 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.243 17.615 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.627 18.293 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.255 18.187 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.202 19.424 -10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.505 19.946 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.861 20.371 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.361 18.984 -7.560 1.00 0.00 H new ATOM 391 N GLY A 28 1.212 14.319 -5.966 1.00 0.00 N ATOM 392 CA GLY A 28 1.768 14.735 -4.692 1.00 0.00 C ATOM 393 C GLY A 28 2.971 15.642 -4.852 1.00 0.00 C ATOM 394 O GLY A 28 4.083 15.172 -5.091 1.00 0.00 O ATOM 0 H GLY A 28 1.725 13.572 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.001 15.253 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.056 13.853 -4.119 1.00 0.00 H new ATOM 398 N ASP A 29 2.749 16.945 -4.721 1.00 0.00 N ATOM 399 CA ASP A 29 3.824 17.921 -4.853 1.00 0.00 C ATOM 400 C ASP A 29 4.765 17.859 -3.654 1.00 0.00 C ATOM 401 O ASP A 29 5.975 18.047 -3.790 1.00 0.00 O ATOM 402 CB ASP A 29 3.249 19.331 -4.992 1.00 0.00 C ATOM 403 CG ASP A 29 4.281 20.335 -5.464 1.00 0.00 C ATOM 404 OD1 ASP A 29 4.654 20.287 -6.655 1.00 0.00 O ATOM 405 OD2 ASP A 29 4.717 21.169 -4.642 1.00 0.00 O ATOM 0 H ASP A 29 1.834 17.350 -4.523 1.00 0.00 H new ATOM 0 HA ASP A 29 4.392 17.679 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.417 19.313 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.847 19.652 -4.031 1.00 0.00 H new ATOM 410 N LEU A 30 4.202 17.595 -2.480 1.00 0.00 N ATOM 411 CA LEU A 30 4.991 17.510 -1.256 1.00 0.00 C ATOM 412 C LEU A 30 5.751 16.189 -1.189 1.00 0.00 C ATOM 413 O LEU A 30 5.661 15.364 -2.098 1.00 0.00 O ATOM 414 CB LEU A 30 4.086 17.652 -0.031 1.00 0.00 C ATOM 415 CG LEU A 30 3.302 18.961 0.075 1.00 0.00 C ATOM 416 CD1 LEU A 30 2.279 18.882 1.198 1.00 0.00 C ATOM 417 CD2 LEU A 30 4.249 20.132 0.295 1.00 0.00 C ATOM 0 H LEU A 30 3.203 17.436 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 30 5.714 18.325 -1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.376 16.825 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.699 17.545 0.864 1.00 0.00 H new ATOM 0 HG LEU A 30 2.769 19.120 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.731 19.822 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.582 18.068 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.790 18.699 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.675 21.056 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.809 19.979 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.943 20.201 -0.543 1.00 0.00 H new ATOM 429 N GLU A 31 6.496 15.994 -0.105 1.00 0.00 N ATOM 430 CA GLU A 31 7.270 14.772 0.080 1.00 0.00 C ATOM 431 C GLU A 31 6.381 13.636 0.577 1.00 0.00 C ATOM 432 O GLU A 31 6.306 12.575 -0.044 1.00 0.00 O ATOM 433 CB GLU A 31 8.412 15.011 1.070 1.00 0.00 C ATOM 434 CG GLU A 31 9.277 16.210 0.722 1.00 0.00 C ATOM 435 CD GLU A 31 10.702 16.068 1.224 1.00 0.00 C ATOM 436 OE1 GLU A 31 11.383 15.107 0.808 1.00 0.00 O ATOM 437 OE2 GLU A 31 11.134 16.915 2.033 1.00 0.00 O ATOM 0 H GLU A 31 6.580 16.666 0.658 1.00 0.00 H new ATOM 0 HA GLU A 31 7.689 14.487 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.994 15.152 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.039 14.120 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.289 16.343 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.833 17.109 1.149 1.00 0.00 H new ATOM 444 N VAL A 32 5.710 13.865 1.700 1.00 0.00 N ATOM 445 CA VAL A 32 4.826 12.861 2.281 1.00 0.00 C ATOM 446 C VAL A 32 3.697 12.501 1.321 1.00 0.00 C ATOM 447 O VAL A 32 3.005 11.501 1.510 1.00 0.00 O ATOM 448 CB VAL A 32 4.219 13.350 3.610 1.00 0.00 C ATOM 449 CG1 VAL A 32 5.303 13.512 4.665 1.00 0.00 C ATOM 450 CG2 VAL A 32 3.465 14.655 3.402 1.00 0.00 C ATOM 0 H VAL A 32 5.761 14.737 2.227 1.00 0.00 H new ATOM 0 HA VAL A 32 5.433 11.976 2.471 1.00 0.00 H new ATOM 0 HB VAL A 32 3.511 12.601 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.855 13.858 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.794 12.553 4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.038 14.241 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.043 14.986 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.150 15.415 3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.662 14.500 2.682 1.00 0.00 H new ATOM 460 N GLU A 33 3.519 13.323 0.291 1.00 0.00 N ATOM 461 CA GLU A 33 2.474 13.090 -0.699 1.00 0.00 C ATOM 462 C GLU A 33 3.001 12.252 -1.860 1.00 0.00 C ATOM 463 O GLU A 33 3.652 12.770 -2.769 1.00 0.00 O ATOM 464 CB GLU A 33 1.931 14.421 -1.221 1.00 0.00 C ATOM 465 CG GLU A 33 1.380 15.325 -0.131 1.00 0.00 C ATOM 466 CD GLU A 33 -0.076 15.041 0.181 1.00 0.00 C ATOM 467 OE1 GLU A 33 -0.952 15.630 -0.486 1.00 0.00 O ATOM 468 OE2 GLU A 33 -0.341 14.229 1.094 1.00 0.00 O ATOM 0 H GLU A 33 4.084 14.155 0.121 1.00 0.00 H new ATOM 0 HA GLU A 33 1.666 12.541 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.727 14.946 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.144 14.222 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.973 15.199 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.486 16.365 -0.439 1.00 0.00 H new ATOM 475 N LEU A 34 2.717 10.955 -1.822 1.00 0.00 N ATOM 476 CA LEU A 34 3.162 10.044 -2.870 1.00 0.00 C ATOM 477 C LEU A 34 2.202 10.066 -4.056 1.00 0.00 C ATOM 478 O LEU A 34 0.994 9.900 -3.892 1.00 0.00 O ATOM 479 CB LEU A 34 3.279 8.621 -2.321 1.00 0.00 C ATOM 480 CG LEU A 34 3.343 7.501 -3.361 1.00 0.00 C ATOM 481 CD1 LEU A 34 4.744 7.393 -3.942 1.00 0.00 C ATOM 482 CD2 LEU A 34 2.914 6.177 -2.748 1.00 0.00 C ATOM 0 H LEU A 34 2.181 10.511 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 34 4.142 10.376 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.174 8.565 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.427 8.434 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 34 2.653 7.743 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.771 6.591 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.013 8.335 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.453 7.175 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.966 5.393 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.577 5.928 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.891 6.260 -2.381 1.00 0.00 H new ATOM 494 N SER A 35 2.750 10.271 -5.249 1.00 0.00 N ATOM 495 CA SER A 35 1.942 10.316 -6.463 1.00 0.00 C ATOM 496 C SER A 35 1.799 8.926 -7.074 1.00 0.00 C ATOM 497 O SER A 35 2.582 8.023 -6.779 1.00 0.00 O ATOM 498 CB SER A 35 2.567 11.272 -7.481 1.00 0.00 C ATOM 499 OG SER A 35 3.740 10.715 -8.050 1.00 0.00 O ATOM 0 H SER A 35 3.749 10.409 -5.402 1.00 0.00 H new ATOM 0 HA SER A 35 0.949 10.679 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.846 11.492 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.808 12.218 -6.996 1.00 0.00 H new ATOM 0 HG SER A 35 4.120 11.344 -8.698 1.00 0.00 H new ATOM 505 N PHE A 36 0.794 8.762 -7.926 1.00 0.00 N ATOM 506 CA PHE A 36 0.546 7.481 -8.579 1.00 0.00 C ATOM 507 C PHE A 36 -0.422 7.644 -9.747 1.00 0.00 C ATOM 508 O PHE A 36 -1.169 8.620 -9.816 1.00 0.00 O ATOM 509 CB PHE A 36 -0.013 6.472 -7.574 1.00 0.00 C ATOM 510 CG PHE A 36 -1.144 7.014 -6.747 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.334 7.399 -7.344 1.00 0.00 C ATOM 512 CD2 PHE A 36 -1.017 7.138 -5.373 1.00 0.00 C ATOM 513 CE1 PHE A 36 -3.376 7.898 -6.586 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.056 7.636 -4.610 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.237 8.017 -5.218 1.00 0.00 C ATOM 0 H PHE A 36 0.137 9.500 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 36 1.495 7.109 -8.966 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.357 5.588 -8.111 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.789 6.149 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.448 7.308 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.096 6.842 -4.893 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.298 8.195 -7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.945 7.727 -3.540 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.050 8.407 -4.624 1.00 0.00 H new ATOM 525 N ARG A 37 -0.403 6.680 -10.662 1.00 0.00 N ATOM 526 CA ARG A 37 -1.278 6.718 -11.828 1.00 0.00 C ATOM 527 C ARG A 37 -2.346 5.631 -11.741 1.00 0.00 C ATOM 528 O ARG A 37 -2.083 4.522 -11.273 1.00 0.00 O ATOM 529 CB ARG A 37 -0.462 6.543 -13.110 1.00 0.00 C ATOM 530 CG ARG A 37 0.278 7.801 -13.537 1.00 0.00 C ATOM 531 CD ARG A 37 0.557 7.802 -15.033 1.00 0.00 C ATOM 532 NE ARG A 37 -0.530 8.413 -15.792 1.00 0.00 N ATOM 533 CZ ARG A 37 -0.463 8.672 -17.093 1.00 0.00 C ATOM 534 NH1 ARG A 37 0.634 8.372 -17.776 1.00 0.00 N ATOM 535 NH2 ARG A 37 -1.493 9.230 -17.714 1.00 0.00 N ATOM 0 H ARG A 37 0.208 5.864 -10.619 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.772 7.689 -11.849 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.259 5.739 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.128 6.232 -13.915 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.313 8.679 -13.275 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.218 7.875 -12.990 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.484 8.342 -15.229 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.707 6.778 -15.375 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.388 8.654 -15.296 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.428 7.942 -17.302 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.683 8.572 -18.775 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.339 9.461 -17.193 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.440 9.428 -18.713 1.00 0.00 H new ATOM 549 N LYS A 38 -3.551 5.956 -12.194 1.00 0.00 N ATOM 550 CA LYS A 38 -4.660 5.010 -12.168 1.00 0.00 C ATOM 551 C LYS A 38 -4.248 3.673 -12.777 1.00 0.00 C ATOM 552 O LYS A 38 -3.734 3.620 -13.893 1.00 0.00 O ATOM 553 CB LYS A 38 -5.862 5.579 -12.927 1.00 0.00 C ATOM 554 CG LYS A 38 -7.028 4.612 -13.032 1.00 0.00 C ATOM 555 CD LYS A 38 -8.032 5.061 -14.080 1.00 0.00 C ATOM 556 CE LYS A 38 -9.401 4.445 -13.841 1.00 0.00 C ATOM 557 NZ LYS A 38 -10.416 4.956 -14.803 1.00 0.00 N ATOM 0 H LYS A 38 -3.785 6.869 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.940 4.846 -11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.199 6.488 -12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.546 5.864 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.657 3.619 -13.285 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.523 4.531 -12.064 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.113 6.148 -14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.674 4.782 -15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.331 3.361 -13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.724 4.662 -12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.335 4.512 -14.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.501 5.988 -14.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.121 4.726 -15.773 1.00 0.00 H new ATOM 571 N GLY A 39 -4.479 2.594 -12.034 1.00 0.00 N ATOM 572 CA GLY A 39 -4.127 1.272 -12.518 1.00 0.00 C ATOM 573 C GLY A 39 -2.909 0.703 -11.816 1.00 0.00 C ATOM 574 O GLY A 39 -2.737 -0.513 -11.749 1.00 0.00 O ATOM 0 H GLY A 39 -4.903 2.612 -11.107 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.972 0.599 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.935 1.320 -13.590 1.00 0.00 H new ATOM 578 N GLU A 40 -2.063 1.585 -11.294 1.00 0.00 N ATOM 579 CA GLU A 40 -0.853 1.163 -10.598 1.00 0.00 C ATOM 580 C GLU A 40 -1.198 0.454 -9.291 1.00 0.00 C ATOM 581 O GLU A 40 -2.219 0.743 -8.665 1.00 0.00 O ATOM 582 CB GLU A 40 0.045 2.368 -10.313 1.00 0.00 C ATOM 583 CG GLU A 40 0.947 2.742 -11.479 1.00 0.00 C ATOM 584 CD GLU A 40 2.232 1.939 -11.503 1.00 0.00 C ATOM 585 OE1 GLU A 40 2.180 0.749 -11.877 1.00 0.00 O ATOM 586 OE2 GLU A 40 3.289 2.500 -11.149 1.00 0.00 O ATOM 0 H GLU A 40 -2.193 2.596 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.319 0.465 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.580 3.224 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.662 2.153 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.409 2.587 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.187 3.804 -11.422 1.00 0.00 H new ATOM 593 N HIS A 41 -0.341 -0.479 -8.886 1.00 0.00 N ATOM 594 CA HIS A 41 -0.555 -1.230 -7.655 1.00 0.00 C ATOM 595 C HIS A 41 0.429 -0.792 -6.574 1.00 0.00 C ATOM 596 O HIS A 41 1.612 -1.131 -6.624 1.00 0.00 O ATOM 597 CB HIS A 41 -0.410 -2.730 -7.916 1.00 0.00 C ATOM 598 CG HIS A 41 -1.685 -3.390 -8.342 1.00 0.00 C ATOM 599 ND1 HIS A 41 -1.893 -4.750 -8.256 1.00 0.00 N ATOM 600 CD2 HIS A 41 -2.823 -2.868 -8.857 1.00 0.00 C ATOM 601 CE1 HIS A 41 -3.103 -5.037 -8.702 1.00 0.00 C ATOM 602 NE2 HIS A 41 -3.688 -3.912 -9.072 1.00 0.00 N ATOM 0 H HIS A 41 0.507 -0.732 -9.393 1.00 0.00 H new ATOM 0 HA HIS A 41 -1.567 -1.026 -7.305 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.345 -2.885 -8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -0.045 -3.214 -7.010 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -1.218 -5.429 -7.903 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.015 -1.825 -9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.539 -6.023 -8.755 1.00 0.00 H new ATOM 611 N ILE A 42 -0.068 -0.038 -5.599 1.00 0.00 N ATOM 612 CA ILE A 42 0.768 0.446 -4.508 1.00 0.00 C ATOM 613 C ILE A 42 0.733 -0.514 -3.323 1.00 0.00 C ATOM 614 O ILE A 42 -0.318 -0.742 -2.725 1.00 0.00 O ATOM 615 CB ILE A 42 0.324 1.843 -4.035 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.130 2.772 -5.234 1.00 0.00 C ATOM 617 CG2 ILE A 42 1.343 2.423 -3.066 1.00 0.00 C ATOM 618 CD1 ILE A 42 -0.883 3.870 -4.989 1.00 0.00 C ATOM 0 H ILE A 42 -1.045 0.251 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 42 1.786 0.509 -4.893 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.629 1.749 -3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.088 3.223 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.187 2.181 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.015 3.410 -2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.435 1.768 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.310 2.507 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.970 4.491 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.852 3.427 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.558 4.485 -4.150 1.00 0.00 H new ATOM 630 N CYS A 43 1.891 -1.073 -2.988 1.00 0.00 N ATOM 631 CA CYS A 43 1.995 -2.008 -1.874 1.00 0.00 C ATOM 632 C CYS A 43 1.937 -1.273 -0.539 1.00 0.00 C ATOM 633 O CYS A 43 2.856 -0.532 -0.185 1.00 0.00 O ATOM 634 CB CYS A 43 3.294 -2.809 -1.972 1.00 0.00 C ATOM 635 SG CYS A 43 3.204 -4.456 -1.230 1.00 0.00 S ATOM 0 H CYS A 43 2.771 -0.895 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 43 1.149 -2.693 -1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.568 -2.910 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 43 4.092 -2.247 -1.487 1.00 0.00 H new ATOM 0 HG CYS A 43 3.465 -4.374 0.041 1.00 0.00 H new ATOM 641 N LEU A 44 0.850 -1.480 0.198 1.00 0.00 N ATOM 642 CA LEU A 44 0.670 -0.834 1.493 1.00 0.00 C ATOM 643 C LEU A 44 1.590 -1.453 2.542 1.00 0.00 C ATOM 644 O LEU A 44 1.244 -2.452 3.173 1.00 0.00 O ATOM 645 CB LEU A 44 -0.786 -0.949 1.945 1.00 0.00 C ATOM 646 CG LEU A 44 -1.841 -0.523 0.923 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.238 -0.834 1.437 1.00 0.00 C ATOM 648 CD2 LEU A 44 -1.706 0.958 0.604 1.00 0.00 C ATOM 0 H LEU A 44 0.081 -2.090 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 44 0.928 0.219 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.978 -1.985 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.915 -0.346 2.844 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.680 -1.088 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.975 -0.524 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.330 -1.905 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.411 -0.296 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.464 1.244 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.841 1.540 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.716 1.153 0.192 1.00 0.00 H new ATOM 660 N ILE A 45 2.761 -0.851 2.724 1.00 0.00 N ATOM 661 CA ILE A 45 3.728 -1.341 3.698 1.00 0.00 C ATOM 662 C ILE A 45 3.168 -1.267 5.114 1.00 0.00 C ATOM 663 O ILE A 45 3.230 -2.237 5.870 1.00 0.00 O ATOM 664 CB ILE A 45 5.044 -0.543 3.635 1.00 0.00 C ATOM 665 CG1 ILE A 45 5.611 -0.564 2.214 1.00 0.00 C ATOM 666 CG2 ILE A 45 6.054 -1.110 4.623 1.00 0.00 C ATOM 667 CD1 ILE A 45 6.475 0.636 1.892 1.00 0.00 C ATOM 0 H ILE A 45 3.063 -0.023 2.210 1.00 0.00 H new ATOM 0 HA ILE A 45 3.931 -2.382 3.445 1.00 0.00 H new ATOM 0 HB ILE A 45 4.838 0.492 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.199 -1.472 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.786 -0.610 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.979 -0.536 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.649 -1.048 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.258 -2.152 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.843 0.555 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.885 1.547 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.320 0.671 2.580 1.00 0.00 H new ATOM 679 N ARG A 46 2.619 -0.109 5.467 1.00 0.00 N ATOM 680 CA ARG A 46 2.047 0.093 6.793 1.00 0.00 C ATOM 681 C ARG A 46 0.926 1.128 6.749 1.00 0.00 C ATOM 682 O ARG A 46 0.965 2.068 5.956 1.00 0.00 O ATOM 683 CB ARG A 46 3.129 0.539 7.776 1.00 0.00 C ATOM 684 CG ARG A 46 3.659 1.938 7.506 1.00 0.00 C ATOM 685 CD ARG A 46 4.847 1.911 6.558 1.00 0.00 C ATOM 686 NE ARG A 46 5.771 3.015 6.805 1.00 0.00 N ATOM 687 CZ ARG A 46 6.646 3.456 5.909 1.00 0.00 C ATOM 688 NH1 ARG A 46 6.717 2.889 4.713 1.00 0.00 N ATOM 689 NH2 ARG A 46 7.453 4.465 6.209 1.00 0.00 N ATOM 0 H ARG A 46 2.558 0.703 4.853 1.00 0.00 H new ATOM 0 HA ARG A 46 1.629 -0.856 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.726 0.501 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.958 -0.168 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.866 2.552 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.953 2.404 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.376 0.964 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.491 1.960 5.529 1.00 0.00 H new ATOM 0 HE ARG A 46 5.742 3.472 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.099 2.112 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.390 3.230 4.026 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.402 4.903 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.125 4.803 5.520 1.00 0.00 H new ATOM 703 N LYS A 47 -0.073 0.948 7.608 1.00 0.00 N ATOM 704 CA LYS A 47 -1.203 1.865 7.669 1.00 0.00 C ATOM 705 C LYS A 47 -0.893 3.054 8.573 1.00 0.00 C ATOM 706 O LYS A 47 -0.612 2.887 9.760 1.00 0.00 O ATOM 707 CB LYS A 47 -2.450 1.136 8.178 1.00 0.00 C ATOM 708 CG LYS A 47 -3.749 1.851 7.849 1.00 0.00 C ATOM 709 CD LYS A 47 -4.953 1.094 8.383 1.00 0.00 C ATOM 710 CE LYS A 47 -6.187 1.981 8.444 1.00 0.00 C ATOM 711 NZ LYS A 47 -6.854 2.097 7.117 1.00 0.00 N ATOM 0 H LYS A 47 -0.122 0.175 8.271 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.391 2.237 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.477 0.135 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.375 1.016 9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.731 2.854 8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.839 1.965 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.154 0.232 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.730 0.710 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.891 1.574 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.904 2.973 8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.902 3.098 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.310 1.566 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.817 1.708 7.177 1.00 0.00 H new ATOM 725 N VAL A 48 -0.946 4.254 8.005 1.00 0.00 N ATOM 726 CA VAL A 48 -0.671 5.470 8.760 1.00 0.00 C ATOM 727 C VAL A 48 -1.929 5.982 9.453 1.00 0.00 C ATOM 728 O VAL A 48 -1.880 6.438 10.594 1.00 0.00 O ATOM 729 CB VAL A 48 -0.112 6.581 7.851 1.00 0.00 C ATOM 730 CG1 VAL A 48 -1.161 7.028 6.845 1.00 0.00 C ATOM 731 CG2 VAL A 48 0.374 7.757 8.686 1.00 0.00 C ATOM 0 H VAL A 48 -1.177 4.410 7.024 1.00 0.00 H new ATOM 0 HA VAL A 48 0.077 5.214 9.511 1.00 0.00 H new ATOM 0 HB VAL A 48 0.738 6.181 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.747 7.813 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.456 6.181 6.226 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.033 7.411 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.766 8.533 8.028 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.456 8.159 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.161 7.423 9.362 1.00 0.00 H new ATOM 741 N ASN A 49 -3.057 5.903 8.754 1.00 0.00 N ATOM 742 CA ASN A 49 -4.330 6.358 9.302 1.00 0.00 C ATOM 743 C ASN A 49 -5.498 5.643 8.631 1.00 0.00 C ATOM 744 O ASN A 49 -5.353 5.080 7.547 1.00 0.00 O ATOM 745 CB ASN A 49 -4.473 7.870 9.125 1.00 0.00 C ATOM 746 CG ASN A 49 -3.625 8.651 10.111 1.00 0.00 C ATOM 747 OD1 ASN A 49 -3.419 8.222 11.247 1.00 0.00 O ATOM 748 ND2 ASN A 49 -3.127 9.804 9.679 1.00 0.00 N ATOM 0 H ASN A 49 -3.115 5.528 7.807 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.345 6.120 10.366 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.188 8.143 8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.519 8.150 9.248 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.548 10.373 10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.324 10.121 8.730 1.00 0.00 H new ATOM 755 N GLU A 50 -6.656 5.671 9.283 1.00 0.00 N ATOM 756 CA GLU A 50 -7.849 5.026 8.749 1.00 0.00 C ATOM 757 C GLU A 50 -8.250 5.643 7.412 1.00 0.00 C ATOM 758 O GLU A 50 -9.083 5.098 6.689 1.00 0.00 O ATOM 759 CB GLU A 50 -9.007 5.140 9.742 1.00 0.00 C ATOM 760 CG GLU A 50 -9.579 6.544 9.852 1.00 0.00 C ATOM 761 CD GLU A 50 -10.707 6.792 8.871 1.00 0.00 C ATOM 762 OE1 GLU A 50 -10.921 5.941 7.983 1.00 0.00 O ATOM 763 OE2 GLU A 50 -11.377 7.839 8.992 1.00 0.00 O ATOM 0 H GLU A 50 -6.793 6.133 10.182 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.619 3.973 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.801 4.456 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.664 4.818 10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.943 6.706 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.785 7.270 9.678 1.00 0.00 H new ATOM 770 N ASN A 51 -7.650 6.785 7.091 1.00 0.00 N ATOM 771 CA ASN A 51 -7.943 7.478 5.843 1.00 0.00 C ATOM 772 C ASN A 51 -6.721 7.499 4.931 1.00 0.00 C ATOM 773 O ASN A 51 -6.813 7.190 3.742 1.00 0.00 O ATOM 774 CB ASN A 51 -8.407 8.908 6.125 1.00 0.00 C ATOM 775 CG ASN A 51 -9.608 8.954 7.049 1.00 0.00 C ATOM 776 OD1 ASN A 51 -9.353 9.087 8.346 1.00 0.00 O flip ATOM 777 ND2 ASN A 51 -10.752 8.872 6.603 1.00 0.00 N flip ATOM 0 H ASN A 51 -6.958 7.250 7.679 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.742 6.937 5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.587 9.472 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.657 9.398 5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.902 8.771 5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.550 8.905 7.237 1.00 0.00 H new ATOM 784 N TRP A 52 -5.575 7.865 5.495 1.00 0.00 N ATOM 785 CA TRP A 52 -4.333 7.926 4.733 1.00 0.00 C ATOM 786 C TRP A 52 -3.660 6.559 4.680 1.00 0.00 C ATOM 787 O TRP A 52 -3.749 5.775 5.626 1.00 0.00 O ATOM 788 CB TRP A 52 -3.382 8.952 5.350 1.00 0.00 C ATOM 789 CG TRP A 52 -3.796 10.371 5.099 1.00 0.00 C ATOM 790 CD1 TRP A 52 -4.679 11.109 5.834 1.00 0.00 C ATOM 791 CD2 TRP A 52 -3.344 11.220 4.039 1.00 0.00 C ATOM 792 NE1 TRP A 52 -4.804 12.366 5.294 1.00 0.00 N ATOM 793 CE2 TRP A 52 -3.994 12.460 4.193 1.00 0.00 C ATOM 794 CE3 TRP A 52 -2.451 11.055 2.976 1.00 0.00 C ATOM 795 CZ2 TRP A 52 -3.780 13.526 3.323 1.00 0.00 C ATOM 796 CZ3 TRP A 52 -2.240 12.114 2.113 1.00 0.00 C ATOM 797 CH2 TRP A 52 -2.902 13.337 2.291 1.00 0.00 C ATOM 0 H TRP A 52 -5.480 8.124 6.477 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.575 8.231 3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.324 8.783 6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.381 8.797 4.948 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.202 10.756 6.711 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.403 13.109 5.654 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -1.935 10.117 2.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -4.289 14.469 3.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.553 11.997 1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.715 14.146 1.600 1.00 0.00 H new ATOM 808 N TYR A 53 -2.986 6.278 3.570 1.00 0.00 N ATOM 809 CA TYR A 53 -2.299 5.004 3.394 1.00 0.00 C ATOM 810 C TYR A 53 -0.854 5.220 2.953 1.00 0.00 C ATOM 811 O TYR A 53 -0.584 6.000 2.040 1.00 0.00 O ATOM 812 CB TYR A 53 -3.034 4.142 2.367 1.00 0.00 C ATOM 813 CG TYR A 53 -4.148 3.309 2.961 1.00 0.00 C ATOM 814 CD1 TYR A 53 -3.887 2.376 3.957 1.00 0.00 C ATOM 815 CD2 TYR A 53 -5.459 3.453 2.526 1.00 0.00 C ATOM 816 CE1 TYR A 53 -4.900 1.612 4.503 1.00 0.00 C ATOM 817 CE2 TYR A 53 -6.478 2.695 3.066 1.00 0.00 C ATOM 818 CZ TYR A 53 -6.195 1.775 4.055 1.00 0.00 C ATOM 819 OH TYR A 53 -7.207 1.016 4.595 1.00 0.00 O ATOM 0 H TYR A 53 -2.901 6.916 2.778 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.293 4.488 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.448 4.788 1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.317 3.481 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.875 2.246 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.685 4.171 1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.680 0.891 5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.492 2.821 2.716 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.057 1.255 4.170 1.00 0.00 H new ATOM 829 N GLU A 54 0.068 4.523 3.608 1.00 0.00 N ATOM 830 CA GLU A 54 1.485 4.638 3.283 1.00 0.00 C ATOM 831 C GLU A 54 1.971 3.408 2.524 1.00 0.00 C ATOM 832 O GLU A 54 1.808 2.277 2.982 1.00 0.00 O ATOM 833 CB GLU A 54 2.310 4.824 4.558 1.00 0.00 C ATOM 834 CG GLU A 54 3.807 4.900 4.310 1.00 0.00 C ATOM 835 CD GLU A 54 4.577 5.371 5.528 1.00 0.00 C ATOM 836 OE1 GLU A 54 4.243 4.932 6.647 1.00 0.00 O ATOM 837 OE2 GLU A 54 5.514 6.181 5.361 1.00 0.00 O ATOM 0 H GLU A 54 -0.140 3.873 4.366 1.00 0.00 H new ATOM 0 HA GLU A 54 1.615 5.512 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.987 5.736 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.105 3.997 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.172 3.917 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.000 5.578 3.478 1.00 0.00 H new ATOM 844 N GLY A 55 2.570 3.636 1.360 1.00 0.00 N ATOM 845 CA GLY A 55 3.072 2.537 0.555 1.00 0.00 C ATOM 846 C GLY A 55 4.308 2.914 -0.238 1.00 0.00 C ATOM 847 O GLY A 55 5.090 3.764 0.187 1.00 0.00 O ATOM 0 H GLY A 55 2.717 4.562 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.304 1.692 1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.291 2.207 -0.130 1.00 0.00 H new ATOM 851 N ARG A 56 4.485 2.279 -1.392 1.00 0.00 N ATOM 852 CA ARG A 56 5.636 2.552 -2.245 1.00 0.00 C ATOM 853 C ARG A 56 5.376 2.087 -3.674 1.00 0.00 C ATOM 854 O ARG A 56 4.484 1.274 -3.921 1.00 0.00 O ATOM 855 CB ARG A 56 6.882 1.859 -1.691 1.00 0.00 C ATOM 856 CG ARG A 56 6.879 0.353 -1.886 1.00 0.00 C ATOM 857 CD ARG A 56 8.293 -0.210 -1.901 1.00 0.00 C ATOM 858 NE ARG A 56 8.839 -0.348 -0.554 1.00 0.00 N ATOM 859 CZ ARG A 56 8.595 -1.390 0.235 1.00 0.00 C ATOM 860 NH1 ARG A 56 7.818 -2.377 -0.186 1.00 0.00 N ATOM 861 NH2 ARG A 56 9.131 -1.443 1.448 1.00 0.00 N ATOM 0 H ARG A 56 3.847 1.572 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 56 5.801 3.629 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.765 2.277 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.967 2.079 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.307 -0.117 -1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.378 0.107 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.291 -1.183 -2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.938 0.444 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 56 9.440 0.395 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.405 -2.339 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.633 -3.175 0.422 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.730 -0.685 1.775 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.944 -2.242 2.054 1.00 0.00 H new ATOM 875 N ILE A 57 6.159 2.609 -4.612 1.00 0.00 N ATOM 876 CA ILE A 57 6.013 2.247 -6.017 1.00 0.00 C ATOM 877 C ILE A 57 7.147 1.333 -6.469 1.00 0.00 C ATOM 878 O ILE A 57 8.128 1.787 -7.061 1.00 0.00 O ATOM 879 CB ILE A 57 5.983 3.494 -6.919 1.00 0.00 C ATOM 880 CG1 ILE A 57 4.863 4.439 -6.481 1.00 0.00 C ATOM 881 CG2 ILE A 57 5.803 3.089 -8.375 1.00 0.00 C ATOM 882 CD1 ILE A 57 3.513 3.767 -6.369 1.00 0.00 C ATOM 0 H ILE A 57 6.901 3.284 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 57 5.064 1.719 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 57 6.934 4.018 -6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.123 4.875 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.793 5.261 -7.194 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.784 3.981 -9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.631 2.450 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.865 2.546 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.768 4.498 -6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.230 3.355 -7.338 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.566 2.964 -5.634 1.00 0.00 H new ATOM 894 N THR A 58 7.007 0.041 -6.190 1.00 0.00 N ATOM 895 CA THR A 58 8.020 -0.938 -6.567 1.00 0.00 C ATOM 896 C THR A 58 8.636 -0.596 -7.919 1.00 0.00 C ATOM 897 O THR A 58 7.935 -0.497 -8.925 1.00 0.00 O ATOM 898 CB THR A 58 7.430 -2.360 -6.630 1.00 0.00 C ATOM 899 OG1 THR A 58 8.454 -3.299 -6.973 1.00 0.00 O ATOM 900 CG2 THR A 58 6.304 -2.434 -7.651 1.00 0.00 C ATOM 0 H THR A 58 6.201 -0.352 -5.704 1.00 0.00 H new ATOM 0 HA THR A 58 8.793 -0.907 -5.799 1.00 0.00 H new ATOM 0 HB THR A 58 7.025 -2.606 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.072 -4.201 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.903 -3.447 -7.678 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.513 -1.738 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.688 -2.170 -8.636 1.00 0.00 H new ATOM 908 N GLY A 59 9.953 -0.416 -7.935 1.00 0.00 N ATOM 909 CA GLY A 59 10.644 -0.088 -9.169 1.00 0.00 C ATOM 910 C GLY A 59 11.231 1.309 -9.151 1.00 0.00 C ATOM 911 O GLY A 59 12.349 1.528 -9.619 1.00 0.00 O ATOM 0 H GLY A 59 10.555 -0.491 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.441 -0.812 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.950 -0.176 -10.005 1.00 0.00 H new ATOM 915 N THR A 60 10.477 2.260 -8.609 1.00 0.00 N ATOM 916 CA THR A 60 10.927 3.644 -8.534 1.00 0.00 C ATOM 917 C THR A 60 11.223 4.049 -7.094 1.00 0.00 C ATOM 918 O THR A 60 10.828 3.363 -6.153 1.00 0.00 O ATOM 919 CB THR A 60 9.880 4.609 -9.121 1.00 0.00 C ATOM 920 OG1 THR A 60 8.666 4.535 -8.364 1.00 0.00 O ATOM 921 CG2 THR A 60 9.596 4.278 -10.579 1.00 0.00 C ATOM 0 H THR A 60 9.550 2.096 -8.215 1.00 0.00 H new ATOM 0 HA THR A 60 11.842 3.710 -9.123 1.00 0.00 H new ATOM 0 HB THR A 60 10.280 5.621 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.537 3.619 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.854 4.973 -10.972 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.516 4.364 -11.158 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.215 3.260 -10.653 1.00 0.00 H new ATOM 929 N GLY A 61 11.920 5.170 -6.930 1.00 0.00 N ATOM 930 CA GLY A 61 12.256 5.647 -5.602 1.00 0.00 C ATOM 931 C GLY A 61 11.128 6.433 -4.965 1.00 0.00 C ATOM 932 O GLY A 61 11.368 7.376 -4.211 1.00 0.00 O ATOM 0 H GLY A 61 12.258 5.756 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.506 4.797 -4.967 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.145 6.275 -5.659 1.00 0.00 H new ATOM 936 N ARG A 62 9.893 6.046 -5.270 1.00 0.00 N ATOM 937 CA ARG A 62 8.723 6.724 -4.724 1.00 0.00 C ATOM 938 C ARG A 62 8.194 5.991 -3.495 1.00 0.00 C ATOM 939 O ARG A 62 8.102 4.764 -3.485 1.00 0.00 O ATOM 940 CB ARG A 62 7.625 6.823 -5.784 1.00 0.00 C ATOM 941 CG ARG A 62 8.105 7.398 -7.107 1.00 0.00 C ATOM 942 CD ARG A 62 7.065 7.218 -8.203 1.00 0.00 C ATOM 943 NE ARG A 62 7.262 8.159 -9.303 1.00 0.00 N ATOM 944 CZ ARG A 62 6.366 8.364 -10.262 1.00 0.00 C ATOM 945 NH1 ARG A 62 5.219 7.700 -10.256 1.00 0.00 N ATOM 946 NH2 ARG A 62 6.618 9.236 -11.229 1.00 0.00 N ATOM 0 H ARG A 62 9.677 5.267 -5.892 1.00 0.00 H new ATOM 0 HA ARG A 62 9.022 7.729 -4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.210 5.830 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.816 7.444 -5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.327 8.458 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.034 6.910 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.113 6.198 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.068 7.354 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 62 8.134 8.687 -9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.022 7.029 -9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.533 7.860 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.500 9.749 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.930 9.394 -11.966 1.00 0.00 H new ATOM 960 N GLN A 63 7.850 6.751 -2.461 1.00 0.00 N ATOM 961 CA GLN A 63 7.332 6.174 -1.227 1.00 0.00 C ATOM 962 C GLN A 63 6.801 7.261 -0.298 1.00 0.00 C ATOM 963 O GLN A 63 7.530 8.175 0.085 1.00 0.00 O ATOM 964 CB GLN A 63 8.422 5.369 -0.519 1.00 0.00 C ATOM 965 CG GLN A 63 7.963 4.739 0.786 1.00 0.00 C ATOM 966 CD GLN A 63 9.094 4.568 1.781 1.00 0.00 C ATOM 967 OE1 GLN A 63 9.928 5.459 1.951 1.00 0.00 O ATOM 968 NE2 GLN A 63 9.129 3.419 2.447 1.00 0.00 N ATOM 0 H GLN A 63 7.921 7.769 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 63 6.508 5.508 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.774 4.584 -1.188 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.272 6.022 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.184 5.359 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.517 3.766 0.578 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.418 2.708 2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.867 3.248 3.130 1.00 0.00 H new ATOM 977 N GLY A 64 5.525 7.154 0.062 1.00 0.00 N ATOM 978 CA GLY A 64 4.919 8.135 0.943 1.00 0.00 C ATOM 979 C GLY A 64 3.497 7.773 1.322 1.00 0.00 C ATOM 980 O GLY A 64 3.136 6.596 1.350 1.00 0.00 O ATOM 0 H GLY A 64 4.901 6.406 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.520 8.227 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.925 9.110 0.455 1.00 0.00 H new ATOM 984 N ILE A 65 2.688 8.785 1.613 1.00 0.00 N ATOM 985 CA ILE A 65 1.297 8.568 1.992 1.00 0.00 C ATOM 986 C ILE A 65 0.347 9.142 0.949 1.00 0.00 C ATOM 987 O ILE A 65 0.744 9.947 0.107 1.00 0.00 O ATOM 988 CB ILE A 65 0.981 9.198 3.362 1.00 0.00 C ATOM 989 CG1 ILE A 65 1.157 10.716 3.301 1.00 0.00 C ATOM 990 CG2 ILE A 65 1.873 8.600 4.439 1.00 0.00 C ATOM 991 CD1 ILE A 65 0.305 11.464 4.301 1.00 0.00 C ATOM 0 H ILE A 65 2.972 9.765 1.594 1.00 0.00 H new ATOM 0 HA ILE A 65 1.152 7.490 2.056 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.057 8.980 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.205 10.959 3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.912 11.062 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.637 9.055 5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.704 7.525 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.918 8.791 4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.482 12.535 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.747 11.251 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.566 11.147 5.311 1.00 0.00 H new ATOM 1003 N PHE A 66 -0.914 8.725 1.012 1.00 0.00 N ATOM 1004 CA PHE A 66 -1.924 9.199 0.072 1.00 0.00 C ATOM 1005 C PHE A 66 -3.327 8.847 0.557 1.00 0.00 C ATOM 1006 O PHE A 66 -3.526 7.914 1.336 1.00 0.00 O ATOM 1007 CB PHE A 66 -1.685 8.595 -1.314 1.00 0.00 C ATOM 1008 CG PHE A 66 -1.351 7.131 -1.281 1.00 0.00 C ATOM 1009 CD1 PHE A 66 -0.061 6.707 -1.009 1.00 0.00 C ATOM 1010 CD2 PHE A 66 -2.329 6.179 -1.521 1.00 0.00 C ATOM 1011 CE1 PHE A 66 0.249 5.360 -0.979 1.00 0.00 C ATOM 1012 CE2 PHE A 66 -2.026 4.831 -1.492 1.00 0.00 C ATOM 1013 CZ PHE A 66 -0.735 4.421 -1.218 1.00 0.00 C ATOM 0 H PHE A 66 -1.260 8.060 1.704 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.843 10.284 0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.576 8.742 -1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.872 9.134 -1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.712 7.437 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.340 6.494 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.260 5.042 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.797 4.099 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.496 3.368 -1.191 1.00 0.00 H new ATOM 1023 N PRO A 67 -4.324 9.611 0.088 1.00 0.00 N ATOM 1024 CA PRO A 67 -5.726 9.399 0.461 1.00 0.00 C ATOM 1025 C PRO A 67 -6.298 8.117 -0.135 1.00 0.00 C ATOM 1026 O PRO A 67 -6.237 7.903 -1.345 1.00 0.00 O ATOM 1027 CB PRO A 67 -6.437 10.623 -0.123 1.00 0.00 C ATOM 1028 CG PRO A 67 -5.571 11.060 -1.254 1.00 0.00 C ATOM 1029 CD PRO A 67 -4.160 10.740 -0.843 1.00 0.00 C ATOM 0 HA PRO A 67 -5.849 9.291 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.440 10.371 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.544 11.412 0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.837 10.539 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.689 12.126 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.544 10.468 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.679 11.591 -0.362 1.00 0.00 H new ATOM 1037 N ALA A 68 -6.851 7.267 0.723 1.00 0.00 N ATOM 1038 CA ALA A 68 -7.435 6.007 0.281 1.00 0.00 C ATOM 1039 C ALA A 68 -8.545 6.243 -0.738 1.00 0.00 C ATOM 1040 O ALA A 68 -8.537 5.664 -1.824 1.00 0.00 O ATOM 1041 CB ALA A 68 -7.968 5.225 1.473 1.00 0.00 C ATOM 0 H ALA A 68 -6.907 7.428 1.729 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.652 5.423 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.401 4.286 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.152 5.015 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.733 5.812 1.981 1.00 0.00 H new ATOM 1047 N SER A 69 -9.499 7.097 -0.380 1.00 0.00 N ATOM 1048 CA SER A 69 -10.618 7.406 -1.261 1.00 0.00 C ATOM 1049 C SER A 69 -10.162 7.472 -2.716 1.00 0.00 C ATOM 1050 O SER A 69 -10.868 7.028 -3.621 1.00 0.00 O ATOM 1051 CB SER A 69 -11.261 8.734 -0.857 1.00 0.00 C ATOM 1052 OG SER A 69 -12.619 8.787 -1.259 1.00 0.00 O ATOM 0 H SER A 69 -9.519 7.587 0.514 1.00 0.00 H new ATOM 0 HA SER A 69 -11.355 6.609 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.193 8.860 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.712 9.560 -1.310 1.00 0.00 H new ATOM 0 HG SER A 69 -13.007 9.645 -0.988 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.976 8.030 -2.933 1.00 0.00 N ATOM 1059 CA TYR A 70 -8.425 8.157 -4.277 1.00 0.00 C ATOM 1060 C TYR A 70 -8.157 6.785 -4.887 1.00 0.00 C ATOM 1061 O TYR A 70 -8.456 6.544 -6.057 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.132 8.976 -4.246 1.00 0.00 C ATOM 1063 CG TYR A 70 -7.361 10.468 -4.181 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -7.979 11.049 -3.080 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -6.961 11.298 -5.221 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -8.192 12.413 -3.017 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -7.167 12.663 -5.165 1.00 0.00 C ATOM 1068 CZ TYR A 70 -7.784 13.215 -4.062 1.00 0.00 C ATOM 1069 OH TYR A 70 -7.992 14.574 -4.002 1.00 0.00 O ATOM 0 H TYR A 70 -8.378 8.402 -2.195 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.159 8.673 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.539 8.670 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.545 8.746 -5.135 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.298 10.424 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.481 10.869 -6.088 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.675 12.848 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.847 13.294 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.646 14.994 -4.817 1.00 0.00 H new ATOM 1079 N VAL A 71 -7.592 5.888 -4.085 1.00 0.00 N ATOM 1080 CA VAL A 71 -7.285 4.539 -4.545 1.00 0.00 C ATOM 1081 C VAL A 71 -8.365 3.553 -4.114 1.00 0.00 C ATOM 1082 O VAL A 71 -9.231 3.882 -3.304 1.00 0.00 O ATOM 1083 CB VAL A 71 -5.924 4.060 -4.009 1.00 0.00 C ATOM 1084 CG1 VAL A 71 -4.867 5.138 -4.195 1.00 0.00 C ATOM 1085 CG2 VAL A 71 -6.039 3.662 -2.544 1.00 0.00 C ATOM 0 H VAL A 71 -7.338 6.071 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 71 -7.245 4.577 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.617 3.182 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.912 4.781 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.767 5.371 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.164 6.036 -3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.068 3.326 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.368 4.521 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.764 2.854 -2.442 1.00 0.00 H new ATOM 1095 N GLN A 72 -8.306 2.342 -4.660 1.00 0.00 N ATOM 1096 CA GLN A 72 -9.279 1.308 -4.331 1.00 0.00 C ATOM 1097 C GLN A 72 -8.704 0.321 -3.320 1.00 0.00 C ATOM 1098 O GLN A 72 -7.662 -0.290 -3.557 1.00 0.00 O ATOM 1099 CB GLN A 72 -9.713 0.566 -5.597 1.00 0.00 C ATOM 1100 CG GLN A 72 -10.600 -0.639 -5.321 1.00 0.00 C ATOM 1101 CD GLN A 72 -10.895 -1.444 -6.572 1.00 0.00 C ATOM 1102 OE1 GLN A 72 -10.201 -1.320 -7.581 1.00 0.00 O ATOM 1103 NE2 GLN A 72 -11.929 -2.274 -6.511 1.00 0.00 N ATOM 0 H GLN A 72 -7.595 2.054 -5.332 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.149 1.791 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.246 1.258 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.826 0.238 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.116 -1.281 -4.586 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.538 -0.302 -4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.477 -2.344 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.176 -2.842 -7.322 1.00 0.00 H new ATOM 1112 N VAL A 73 -9.390 0.170 -2.191 1.00 0.00 N ATOM 1113 CA VAL A 73 -8.948 -0.743 -1.144 1.00 0.00 C ATOM 1114 C VAL A 73 -9.474 -2.153 -1.388 1.00 0.00 C ATOM 1115 O VAL A 73 -10.669 -2.415 -1.247 1.00 0.00 O ATOM 1116 CB VAL A 73 -9.410 -0.268 0.246 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -8.975 -1.254 1.319 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -8.870 1.124 0.539 1.00 0.00 C ATOM 0 H VAL A 73 -10.254 0.669 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.858 -0.754 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 73 -10.499 -0.219 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.310 -0.902 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -9.414 -2.231 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.888 -1.337 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.206 1.444 1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.780 1.104 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.236 1.822 -0.214 1.00 0.00 H new ATOM 1128 N SER A 74 -8.573 -3.060 -1.754 1.00 0.00 N ATOM 1129 CA SER A 74 -8.946 -4.444 -2.019 1.00 0.00 C ATOM 1130 C SER A 74 -8.648 -5.329 -0.813 1.00 0.00 C ATOM 1131 O SER A 74 -9.408 -6.244 -0.498 1.00 0.00 O ATOM 1132 CB SER A 74 -8.200 -4.968 -3.247 1.00 0.00 C ATOM 1133 OG SER A 74 -8.751 -6.195 -3.694 1.00 0.00 O ATOM 0 H SER A 74 -7.580 -2.861 -1.874 1.00 0.00 H new ATOM 0 HA SER A 74 -10.018 -4.474 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.249 -4.231 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.146 -5.106 -3.005 1.00 0.00 H new ATOM 0 HG SER A 74 -8.257 -6.508 -4.481 1.00 0.00 H new ATOM 1139 N ARG A 75 -7.535 -5.049 -0.142 1.00 0.00 N ATOM 1140 CA ARG A 75 -7.134 -5.819 1.029 1.00 0.00 C ATOM 1141 C ARG A 75 -6.367 -4.945 2.017 1.00 0.00 C ATOM 1142 O ARG A 75 -5.246 -4.517 1.741 1.00 0.00 O ATOM 1143 CB ARG A 75 -6.274 -7.012 0.611 1.00 0.00 C ATOM 1144 CG ARG A 75 -5.705 -7.794 1.784 1.00 0.00 C ATOM 1145 CD ARG A 75 -5.509 -9.260 1.434 1.00 0.00 C ATOM 1146 NE ARG A 75 -5.146 -10.058 2.601 1.00 0.00 N ATOM 1147 CZ ARG A 75 -5.078 -11.385 2.592 1.00 0.00 C ATOM 1148 NH1 ARG A 75 -5.347 -12.059 1.482 1.00 0.00 N ATOM 1149 NH2 ARG A 75 -4.740 -12.041 3.696 1.00 0.00 N ATOM 0 H ARG A 75 -6.895 -4.294 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.036 -6.185 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.873 -7.682 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.452 -6.657 -0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.751 -7.360 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.376 -7.710 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.426 -9.654 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.730 -9.351 0.677 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.933 -9.570 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.607 -11.559 0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.294 -13.078 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.532 -11.526 4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.688 -13.060 3.688 1.00 0.00 H new ATOM 1163 N GLU A 76 -6.978 -4.685 3.169 1.00 0.00 N ATOM 1164 CA GLU A 76 -6.352 -3.862 4.197 1.00 0.00 C ATOM 1165 C GLU A 76 -5.143 -4.571 4.799 1.00 0.00 C ATOM 1166 O GLU A 76 -5.125 -5.790 4.965 1.00 0.00 O ATOM 1167 CB GLU A 76 -7.360 -3.526 5.297 1.00 0.00 C ATOM 1168 CG GLU A 76 -8.530 -2.684 4.815 1.00 0.00 C ATOM 1169 CD GLU A 76 -9.667 -2.636 5.818 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -9.394 -2.415 7.015 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -10.830 -2.820 5.403 1.00 0.00 O ATOM 0 H GLU A 76 -7.905 -5.032 3.413 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.014 -2.937 3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.742 -4.453 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.847 -2.995 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.185 -1.670 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.899 -3.088 3.872 1.00 0.00 H new ATOM 1178 N PRO A 77 -4.105 -3.789 5.134 1.00 0.00 N ATOM 1179 CA PRO A 77 -2.871 -4.319 5.723 1.00 0.00 C ATOM 1180 C PRO A 77 -3.079 -4.822 7.148 1.00 0.00 C ATOM 1181 O PRO A 77 -4.104 -4.544 7.770 1.00 0.00 O ATOM 1182 CB PRO A 77 -1.927 -3.114 5.713 1.00 0.00 C ATOM 1183 CG PRO A 77 -2.827 -1.927 5.733 1.00 0.00 C ATOM 1184 CD PRO A 77 -4.057 -2.327 4.964 1.00 0.00 C ATOM 0 HA PRO A 77 -2.492 -5.179 5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.265 -3.123 6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.293 -3.115 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.080 -1.646 6.755 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.344 -1.063 5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.952 -1.847 5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.983 -2.047 3.913 1.00 0.00 H new ATOM 1192 N ARG A 78 -2.100 -5.562 7.657 1.00 0.00 N ATOM 1193 CA ARG A 78 -2.177 -6.104 9.009 1.00 0.00 C ATOM 1194 C ARG A 78 -0.786 -6.441 9.538 1.00 0.00 C ATOM 1195 O ARG A 78 0.109 -6.809 8.776 1.00 0.00 O ATOM 1196 CB ARG A 78 -3.059 -7.353 9.030 1.00 0.00 C ATOM 1197 CG ARG A 78 -2.684 -8.344 10.120 1.00 0.00 C ATOM 1198 CD ARG A 78 -1.630 -9.330 9.639 1.00 0.00 C ATOM 1199 NE ARG A 78 -2.062 -10.052 8.444 1.00 0.00 N ATOM 1200 CZ ARG A 78 -2.825 -11.138 8.478 1.00 0.00 C ATOM 1201 NH1 ARG A 78 -3.240 -11.625 9.639 1.00 0.00 N ATOM 1202 NH2 ARG A 78 -3.176 -11.739 7.348 1.00 0.00 N ATOM 0 H ARG A 78 -1.245 -5.800 7.155 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.619 -5.345 9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.098 -7.052 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.995 -7.849 8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.309 -7.805 10.990 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.573 -8.888 10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.704 -8.796 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.410 -10.043 10.434 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.761 -9.703 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.973 -11.165 10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.826 -12.459 9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.860 -11.367 6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.762 -12.573 7.375 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.611 -6.312 10.849 1.00 0.00 N ATOM 1217 CA LEU A 79 0.671 -6.603 11.482 1.00 0.00 C ATOM 1218 C LEU A 79 0.558 -7.803 12.416 1.00 0.00 C ATOM 1219 O LEU A 79 -0.269 -7.817 13.328 1.00 0.00 O ATOM 1220 CB LEU A 79 1.166 -5.382 12.260 1.00 0.00 C ATOM 1221 CG LEU A 79 1.953 -4.347 11.455 1.00 0.00 C ATOM 1222 CD1 LEU A 79 1.182 -3.943 10.208 1.00 0.00 C ATOM 1223 CD2 LEU A 79 2.265 -3.128 12.311 1.00 0.00 C ATOM 0 H LEU A 79 -1.340 -6.008 11.494 1.00 0.00 H new ATOM 0 HA LEU A 79 1.389 -6.843 10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.304 -4.887 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.794 -5.729 13.080 1.00 0.00 H new ATOM 0 HG LEU A 79 2.896 -4.797 11.145 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.757 -3.206 9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.012 -4.821 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.223 -3.512 10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.825 -2.403 11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.334 -2.676 12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.859 -3.431 13.173 1.00 0.00 H new ATOM 1235 N ARG A 80 1.396 -8.809 12.183 1.00 0.00 N ATOM 1236 CA ARG A 80 1.391 -10.013 13.005 1.00 0.00 C ATOM 1237 C ARG A 80 1.553 -9.664 14.482 1.00 0.00 C ATOM 1238 O ARG A 80 2.661 -9.698 15.020 1.00 0.00 O ATOM 1239 CB ARG A 80 2.509 -10.959 12.566 1.00 0.00 C ATOM 1240 CG ARG A 80 3.876 -10.298 12.501 1.00 0.00 C ATOM 1241 CD ARG A 80 4.821 -11.062 11.588 1.00 0.00 C ATOM 1242 NE ARG A 80 5.218 -12.346 12.159 1.00 0.00 N ATOM 1243 CZ ARG A 80 6.146 -13.132 11.628 1.00 0.00 C ATOM 1244 NH1 ARG A 80 6.772 -12.768 10.516 1.00 0.00 N ATOM 1245 NH2 ARG A 80 6.453 -14.286 12.207 1.00 0.00 N ATOM 0 H ARG A 80 2.086 -8.814 11.432 1.00 0.00 H new ATOM 0 HA ARG A 80 0.431 -10.511 12.872 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.554 -11.800 13.258 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.265 -11.366 11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.770 -9.274 12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.302 -10.242 13.503 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.339 -11.228 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.709 -10.459 11.400 1.00 0.00 H new ATOM 0 HE ARG A 80 4.756 -12.656 13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.540 -11.882 10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.485 -13.374 10.110 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.975 -14.571 13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.167 -14.888 11.797 1.00 0.00 H new ATOM 1259 N LEU A 81 0.444 -9.331 15.131 1.00 0.00 N ATOM 1260 CA LEU A 81 0.463 -8.976 16.546 1.00 0.00 C ATOM 1261 C LEU A 81 0.343 -10.220 17.421 1.00 0.00 C ATOM 1262 O LEU A 81 0.025 -10.128 18.607 1.00 0.00 O ATOM 1263 CB LEU A 81 -0.675 -8.004 16.864 1.00 0.00 C ATOM 1264 CG LEU A 81 -1.942 -8.155 16.021 1.00 0.00 C ATOM 1265 CD1 LEU A 81 -2.492 -9.568 16.132 1.00 0.00 C ATOM 1266 CD2 LEU A 81 -2.990 -7.137 16.446 1.00 0.00 C ATOM 0 H LEU A 81 -0.480 -9.299 14.701 1.00 0.00 H new ATOM 0 HA LEU A 81 1.416 -8.493 16.761 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.945 -8.123 17.913 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.302 -6.987 16.744 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.686 -7.968 14.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.393 -9.656 15.526 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.745 -10.278 15.777 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.733 -9.784 17.173 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.885 -7.259 15.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.243 -7.291 17.495 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.594 -6.130 16.312 1.00 0.00 H new ATOM 1278 N CYS A 82 0.604 -11.380 16.829 1.00 0.00 N ATOM 1279 CA CYS A 82 0.526 -12.642 17.556 1.00 0.00 C ATOM 1280 C CYS A 82 1.776 -13.484 17.316 1.00 0.00 C ATOM 1281 O CYS A 82 2.181 -13.703 16.175 1.00 0.00 O ATOM 1282 CB CYS A 82 -0.718 -13.425 17.131 1.00 0.00 C ATOM 1283 SG CYS A 82 -2.273 -12.701 17.701 1.00 0.00 S ATOM 0 H CYS A 82 0.871 -11.473 15.849 1.00 0.00 H new ATOM 0 HA CYS A 82 0.458 -12.416 18.620 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -0.738 -13.493 16.043 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.642 -14.443 17.513 1.00 0.00 H new ATOM 0 HG CYS A 82 -3.268 -13.431 17.291 1.00 0.00 H new ATOM 1289 N ASP A 83 2.384 -13.952 18.402 1.00 0.00 N ATOM 1290 CA ASP A 83 3.589 -14.769 18.311 1.00 0.00 C ATOM 1291 C ASP A 83 3.253 -16.249 18.457 1.00 0.00 C ATOM 1292 O ASP A 83 3.742 -17.084 17.695 1.00 0.00 O ATOM 1293 CB ASP A 83 4.595 -14.353 19.386 1.00 0.00 C ATOM 1294 CG ASP A 83 5.248 -13.019 19.081 1.00 0.00 C ATOM 1295 OD1 ASP A 83 4.527 -12.082 18.682 1.00 0.00 O ATOM 1296 OD2 ASP A 83 6.483 -12.912 19.242 1.00 0.00 O ATOM 0 H ASP A 83 2.062 -13.780 19.354 1.00 0.00 H new ATOM 0 HA ASP A 83 4.033 -14.611 17.328 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.089 -14.295 20.350 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.365 -15.119 19.475 1.00 0.00 H new ATOM 1301 N ASP A 84 2.417 -16.568 19.439 1.00 0.00 N ATOM 1302 CA ASP A 84 2.016 -17.949 19.685 1.00 0.00 C ATOM 1303 C ASP A 84 0.700 -18.265 18.981 1.00 0.00 C ATOM 1304 O ASP A 84 -0.376 -17.927 19.475 1.00 0.00 O ATOM 1305 CB ASP A 84 1.881 -18.203 21.186 1.00 0.00 C ATOM 1306 CG ASP A 84 2.049 -19.667 21.544 1.00 0.00 C ATOM 1307 OD1 ASP A 84 3.204 -20.139 21.585 1.00 0.00 O ATOM 1308 OD2 ASP A 84 1.024 -20.340 21.782 1.00 0.00 O ATOM 0 H ASP A 84 2.004 -15.889 20.078 1.00 0.00 H new ATOM 0 HA ASP A 84 2.789 -18.604 19.283 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.627 -17.614 21.720 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.903 -17.860 21.523 1.00 0.00 H new ATOM 1313 N SER A 85 0.794 -18.915 17.825 1.00 0.00 N ATOM 1314 CA SER A 85 -0.389 -19.273 17.052 1.00 0.00 C ATOM 1315 C SER A 85 -1.245 -20.286 17.805 1.00 0.00 C ATOM 1316 O SER A 85 -0.745 -21.037 18.642 1.00 0.00 O ATOM 1317 CB SER A 85 0.019 -19.843 15.691 1.00 0.00 C ATOM 1318 OG SER A 85 -0.990 -19.621 14.722 1.00 0.00 O ATOM 0 H SER A 85 1.677 -19.204 17.404 1.00 0.00 H new ATOM 0 HA SER A 85 -0.979 -18.370 16.898 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.950 -19.380 15.364 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.210 -20.912 15.783 1.00 0.00 H new ATOM 0 HG SER A 85 -0.704 -19.993 13.861 1.00 0.00 H new ATOM 1324 N GLY A 86 -2.539 -20.300 17.501 1.00 0.00 N ATOM 1325 CA GLY A 86 -3.445 -21.224 18.158 1.00 0.00 C ATOM 1326 C GLY A 86 -4.779 -20.587 18.498 1.00 0.00 C ATOM 1327 O GLY A 86 -5.123 -19.515 18.000 1.00 0.00 O ATOM 0 H GLY A 86 -2.976 -19.688 16.812 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.612 -22.086 17.512 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.980 -21.596 19.071 1.00 0.00 H new ATOM 1331 N PRO A 87 -5.554 -21.255 19.364 1.00 0.00 N ATOM 1332 CA PRO A 87 -6.869 -20.766 19.789 1.00 0.00 C ATOM 1333 C PRO A 87 -6.770 -19.531 20.677 1.00 0.00 C ATOM 1334 O PRO A 87 -7.785 -18.972 21.095 1.00 0.00 O ATOM 1335 CB PRO A 87 -7.450 -21.945 20.573 1.00 0.00 C ATOM 1336 CG PRO A 87 -6.261 -22.699 21.058 1.00 0.00 C ATOM 1337 CD PRO A 87 -5.207 -22.538 19.997 1.00 0.00 C ATOM 0 HA PRO A 87 -7.482 -20.457 18.942 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.068 -21.603 21.403 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.083 -22.568 19.941 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.915 -22.308 22.015 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.502 -23.751 21.212 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.205 -22.517 20.426 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.230 -23.359 19.280 1.00 0.00 H new ATOM 1345 N SER A 88 -5.542 -19.111 20.964 1.00 0.00 N ATOM 1346 CA SER A 88 -5.310 -17.944 21.807 1.00 0.00 C ATOM 1347 C SER A 88 -6.085 -18.057 23.117 1.00 0.00 C ATOM 1348 O SER A 88 -6.773 -17.123 23.527 1.00 0.00 O ATOM 1349 CB SER A 88 -5.718 -16.667 21.070 1.00 0.00 C ATOM 1350 OG SER A 88 -7.122 -16.611 20.886 1.00 0.00 O ATOM 0 H SER A 88 -4.692 -19.562 20.625 1.00 0.00 H new ATOM 0 HA SER A 88 -4.245 -17.899 22.037 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.387 -15.796 21.635 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.219 -16.627 20.102 1.00 0.00 H new ATOM 0 HG SER A 88 -7.545 -17.355 21.364 1.00 0.00 H new ATOM 1356 N SER A 89 -5.968 -19.210 23.768 1.00 0.00 N ATOM 1357 CA SER A 89 -6.659 -19.449 25.030 1.00 0.00 C ATOM 1358 C SER A 89 -5.987 -20.574 25.812 1.00 0.00 C ATOM 1359 O SER A 89 -5.148 -21.299 25.281 1.00 0.00 O ATOM 1360 CB SER A 89 -8.126 -19.796 24.773 1.00 0.00 C ATOM 1361 OG SER A 89 -8.804 -20.073 25.986 1.00 0.00 O ATOM 0 H SER A 89 -5.401 -19.993 23.443 1.00 0.00 H new ATOM 0 HA SER A 89 -6.607 -18.536 25.624 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.615 -18.967 24.261 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.188 -20.661 24.112 1.00 0.00 H new ATOM 0 HG SER A 89 -9.740 -20.290 25.795 1.00 0.00 H new ATOM 1367 N GLY A 90 -6.365 -20.712 27.080 1.00 0.00 N ATOM 1368 CA GLY A 90 -5.792 -21.750 27.916 1.00 0.00 C ATOM 1369 C GLY A 90 -5.953 -21.457 29.395 1.00 0.00 C ATOM 1370 O GLY A 90 -6.487 -22.278 30.141 1.00 0.00 O ATOM 0 H GLY A 90 -7.058 -20.123 27.542 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.267 -22.703 27.684 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.733 -21.857 27.683 1.00 0.00 H new TER 1374 GLY A 90