USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 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 39 GLN :FLIP amide:sc= -6.82! C(o=-7.4!,f=-6.6!) USER MOD Set 1.2: A 95 TYR OH : rot 66:sc= 0.218 USER MOD Single : A 1 GLU N :NH3+ -160:sc= -0.598 (180deg=-1.35!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.3!) USER MOD Single : A 17 SER OG : rot 82:sc= 0.901 USER MOD Single : A 21 SER OG : rot 180:sc= -0.22 USER MOD Single : A 25 SER OG : rot 180:sc= -0.317 USER MOD Single : A 28 THR OG1 : rot -40:sc= -2.76! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -121:sc= 1.33 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -178:sc= -19.5! (180deg=-19.7!) USER MOD Single : A 35 SER OG : rot -160:sc= -3.58! USER MOD Single : A 43 LYS NZ :NH3+ 165:sc=-0.00345 (180deg=-0.249) USER MOD Single : A 49 SER OG : rot -45:sc= 0.675 USER MOD Single : A 52 SER OG : rot 180:sc= -0.908 USER MOD Single : A 54 SER OG : rot -65:sc= 1.04 USER MOD Single : A 57 SER OG : rot 171:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.9) USER MOD Single : A 83 MET CE :methyl -124:sc= -23.5! (180deg=-29.2!) USER MOD Single : A 84 ASN : amide:sc= -1.87 K(o=-1.9,f=-6.8!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.131 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 94 TYR OH : rot -130:sc= -2.06! USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -1.41 (180deg=-2.38!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= 0.00521 USER MOD Single : A 109 GLN :FLIP amide:sc= -3.78! C(o=-5.3!,f=-3.8!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -12.511 14.216 -13.394 1.00 0.00 N ATOM 2 CA GLU A 1 -13.135 12.870 -13.527 1.00 0.00 C ATOM 3 C GLU A 1 -12.124 11.797 -13.116 1.00 0.00 C ATOM 4 O GLU A 1 -10.933 12.034 -13.089 1.00 0.00 O ATOM 5 CB GLU A 1 -13.555 12.643 -14.981 1.00 0.00 C ATOM 6 CG GLU A 1 -14.193 13.919 -15.533 1.00 0.00 C ATOM 7 CD GLU A 1 -13.173 14.671 -16.390 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.178 14.068 -16.759 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.405 15.838 -16.665 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.256 14.940 -13.338 1.00 0.00 H new ATOM 0 H2 GLU A 1 -11.932 14.247 -12.530 1.00 0.00 H new ATOM 0 H3 GLU A 1 -11.909 14.403 -14.221 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.012 12.811 -12.882 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -12.689 12.368 -15.582 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.261 11.815 -15.042 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.071 13.671 -16.129 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -14.532 14.552 -14.713 1.00 0.00 H new ATOM 10 N VAL A 2 -12.587 10.618 -12.798 1.00 0.00 N ATOM 11 CA VAL A 2 -11.642 9.539 -12.396 1.00 0.00 C ATOM 12 C VAL A 2 -12.374 8.190 -12.378 1.00 0.00 C ATOM 13 O VAL A 2 -13.586 8.128 -12.310 1.00 0.00 O ATOM 14 CB VAL A 2 -11.058 9.863 -11.008 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.912 9.245 -9.897 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.636 9.308 -10.917 1.00 0.00 C ATOM 0 H VAL A 2 -13.573 10.357 -12.799 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.824 9.477 -13.114 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.050 10.945 -10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.479 9.488 -8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.925 9.644 -9.952 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.941 8.162 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.219 9.535 -9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.657 8.228 -11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.017 9.765 -11.689 1.00 0.00 H new ATOM 17 N GLN A 3 -11.642 7.113 -12.437 1.00 0.00 N ATOM 18 CA GLN A 3 -12.277 5.759 -12.421 1.00 0.00 C ATOM 19 C GLN A 3 -11.154 4.736 -12.439 1.00 0.00 C ATOM 20 O GLN A 3 -10.428 4.624 -13.405 1.00 0.00 O ATOM 21 CB GLN A 3 -13.165 5.580 -13.654 1.00 0.00 C ATOM 22 CG GLN A 3 -14.434 4.819 -13.262 1.00 0.00 C ATOM 23 CD GLN A 3 -15.143 4.322 -14.522 1.00 0.00 C ATOM 24 OE1 GLN A 3 -14.694 3.388 -15.156 1.00 0.00 O ATOM 25 NE2 GLN A 3 -16.240 4.908 -14.912 1.00 0.00 N ATOM 0 H GLN A 3 -10.624 7.109 -12.496 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.901 5.636 -11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.426 6.552 -14.072 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.625 5.034 -14.428 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.181 3.976 -12.619 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -15.098 5.468 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.616 5.692 -14.379 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.722 4.582 -15.750 1.00 0.00 H new ATOM 26 N LEU A 4 -10.951 4.031 -11.362 1.00 0.00 N ATOM 27 CA LEU A 4 -9.810 3.089 -11.337 1.00 0.00 C ATOM 28 C LEU A 4 -10.105 1.858 -10.477 1.00 0.00 C ATOM 29 O LEU A 4 -11.128 1.772 -9.831 1.00 0.00 O ATOM 30 CB LEU A 4 -8.591 3.820 -10.784 1.00 0.00 C ATOM 31 CG LEU A 4 -8.987 4.960 -9.830 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.673 6.115 -10.564 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.879 4.446 -8.697 1.00 0.00 C ATOM 0 H LEU A 4 -11.517 4.067 -10.514 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.626 2.740 -12.353 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.952 3.112 -10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.006 4.225 -11.610 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.062 5.345 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.934 6.896 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.996 6.522 -11.315 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.578 5.751 -11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.143 5.273 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.787 4.012 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.343 3.686 -8.128 1.00 0.00 H new ATOM 34 N VAL A 5 -9.199 0.903 -10.469 1.00 0.00 N ATOM 35 CA VAL A 5 -9.414 -0.340 -9.655 1.00 0.00 C ATOM 36 C VAL A 5 -8.138 -1.211 -9.665 1.00 0.00 C ATOM 37 O VAL A 5 -7.769 -1.768 -10.677 1.00 0.00 O ATOM 38 CB VAL A 5 -10.596 -1.135 -10.251 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.458 -2.630 -9.935 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.910 -0.627 -9.652 1.00 0.00 C ATOM 0 H VAL A 5 -8.323 0.931 -10.990 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.638 -0.064 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.593 -0.995 -11.332 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.301 -3.172 -10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.529 -3.008 -10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.446 -2.774 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.743 -1.189 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.892 -0.761 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.031 0.431 -9.885 1.00 0.00 H new ATOM 41 N GLU A 6 -7.487 -1.343 -8.533 1.00 0.00 N ATOM 42 CA GLU A 6 -6.247 -2.189 -8.442 1.00 0.00 C ATOM 43 C GLU A 6 -6.401 -3.470 -9.270 1.00 0.00 C ATOM 44 O GLU A 6 -7.481 -3.823 -9.700 1.00 0.00 O ATOM 45 CB GLU A 6 -6.018 -2.572 -6.978 1.00 0.00 C ATOM 46 CG GLU A 6 -7.052 -3.621 -6.555 1.00 0.00 C ATOM 47 CD GLU A 6 -8.460 -3.061 -6.758 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.756 -2.029 -6.178 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.219 -3.674 -7.490 1.00 0.00 O ATOM 0 H GLU A 6 -7.763 -0.897 -7.658 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.403 -1.619 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.010 -2.966 -6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.099 -1.690 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.923 -4.531 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.904 -3.892 -5.510 1.00 0.00 H new ATOM 50 N SER A 7 -5.321 -4.180 -9.485 1.00 0.00 N ATOM 51 CA SER A 7 -5.408 -5.440 -10.274 1.00 0.00 C ATOM 52 C SER A 7 -4.013 -6.054 -10.415 1.00 0.00 C ATOM 53 O SER A 7 -3.040 -5.365 -10.651 1.00 0.00 O ATOM 54 CB SER A 7 -5.972 -5.137 -11.663 1.00 0.00 C ATOM 55 OG SER A 7 -6.199 -6.358 -12.353 1.00 0.00 O ATOM 0 H SER A 7 -4.388 -3.940 -9.149 1.00 0.00 H new ATOM 0 HA SER A 7 -6.064 -6.142 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.903 -4.576 -11.576 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.275 -4.513 -12.223 1.00 0.00 H new ATOM 0 HG SER A 7 -6.562 -6.168 -13.243 1.00 0.00 H new ATOM 56 N GLY A 8 -3.909 -7.348 -10.275 1.00 0.00 N ATOM 57 CA GLY A 8 -2.576 -8.005 -10.403 1.00 0.00 C ATOM 58 C GLY A 8 -2.673 -9.457 -9.934 1.00 0.00 C ATOM 59 O GLY A 8 -3.299 -10.285 -10.566 1.00 0.00 O ATOM 0 H GLY A 8 -4.687 -7.977 -10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.239 -7.969 -11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.836 -7.469 -9.808 1.00 0.00 H new ATOM 60 N GLY A 9 -2.055 -9.773 -8.830 1.00 0.00 N ATOM 61 CA GLY A 9 -2.108 -11.171 -8.320 1.00 0.00 C ATOM 62 C GLY A 9 -0.772 -11.863 -8.593 1.00 0.00 C ATOM 63 O GLY A 9 -0.683 -13.073 -8.632 1.00 0.00 O ATOM 0 H GLY A 9 -1.515 -9.123 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.318 -11.172 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.918 -11.716 -8.805 1.00 0.00 H new ATOM 64 N GLY A 10 0.271 -11.101 -8.782 1.00 0.00 N ATOM 65 CA GLY A 10 1.604 -11.709 -9.052 1.00 0.00 C ATOM 66 C GLY A 10 2.041 -12.540 -7.841 1.00 0.00 C ATOM 67 O GLY A 10 1.607 -12.309 -6.727 1.00 0.00 O ATOM 0 H GLY A 10 0.257 -10.081 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.555 -12.339 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.337 -10.928 -9.255 1.00 0.00 H new ATOM 68 N LEU A 11 2.902 -13.502 -8.044 1.00 0.00 N ATOM 69 CA LEU A 11 3.369 -14.335 -6.899 1.00 0.00 C ATOM 70 C LEU A 11 4.445 -13.560 -6.141 1.00 0.00 C ATOM 71 O LEU A 11 4.899 -12.525 -6.586 1.00 0.00 O ATOM 72 CB LEU A 11 3.944 -15.655 -7.417 1.00 0.00 C ATOM 73 CG LEU A 11 2.892 -16.368 -8.269 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.565 -17.465 -9.095 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.834 -16.997 -7.357 1.00 0.00 C ATOM 0 H LEU A 11 3.301 -13.746 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 11 2.534 -14.557 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.840 -15.467 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.241 -16.288 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 11 2.417 -15.648 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.817 -17.974 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.319 -17.020 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.040 -18.184 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.085 -17.505 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.309 -17.717 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.354 -16.218 -6.766 1.00 0.00 H new ATOM 76 N VAL A 12 4.851 -14.029 -4.992 1.00 0.00 N ATOM 77 CA VAL A 12 5.887 -13.269 -4.230 1.00 0.00 C ATOM 78 C VAL A 12 6.616 -14.151 -3.209 1.00 0.00 C ATOM 79 O VAL A 12 6.601 -13.871 -2.031 1.00 0.00 O ATOM 80 CB VAL A 12 5.212 -12.119 -3.489 1.00 0.00 C ATOM 81 CG1 VAL A 12 5.097 -10.912 -4.419 1.00 0.00 C ATOM 82 CG2 VAL A 12 3.815 -12.552 -3.038 1.00 0.00 C ATOM 0 H VAL A 12 4.519 -14.888 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 12 6.623 -12.901 -4.945 1.00 0.00 H new ATOM 0 HB VAL A 12 5.807 -11.850 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.615 -10.090 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.092 -10.603 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.502 -11.181 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.333 -11.730 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.219 -12.822 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.897 -13.413 -2.374 1.00 0.00 H new ATOM 83 N GLN A 13 7.287 -15.180 -3.649 1.00 0.00 N ATOM 84 CA GLN A 13 8.050 -16.042 -2.693 1.00 0.00 C ATOM 85 C GLN A 13 8.975 -15.133 -1.859 1.00 0.00 C ATOM 86 O GLN A 13 8.908 -13.927 -1.998 1.00 0.00 O ATOM 87 CB GLN A 13 8.878 -17.034 -3.517 1.00 0.00 C ATOM 88 CG GLN A 13 8.488 -18.468 -3.145 1.00 0.00 C ATOM 89 CD GLN A 13 9.621 -19.422 -3.534 1.00 0.00 C ATOM 90 OE1 GLN A 13 10.756 -19.227 -3.145 1.00 0.00 O ATOM 91 NE2 GLN A 13 9.360 -20.450 -4.294 1.00 0.00 N ATOM 0 H GLN A 13 7.342 -15.463 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 13 7.386 -16.588 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.711 -16.866 -4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.941 -16.877 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.291 -18.537 -2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.568 -18.751 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.408 -20.614 -4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.108 -21.090 -4.561 1.00 0.00 H new ATOM 92 N PRO A 14 9.836 -15.706 -1.031 1.00 0.00 N ATOM 93 CA PRO A 14 10.781 -14.906 -0.211 1.00 0.00 C ATOM 94 C PRO A 14 11.863 -14.212 -1.056 1.00 0.00 C ATOM 95 O PRO A 14 12.871 -13.768 -0.543 1.00 0.00 O ATOM 96 CB PRO A 14 11.380 -15.924 0.762 1.00 0.00 C ATOM 97 CG PRO A 14 11.165 -17.310 0.122 1.00 0.00 C ATOM 98 CD PRO A 14 9.951 -17.166 -0.814 1.00 0.00 C ATOM 0 HA PRO A 14 10.280 -14.083 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.440 -15.730 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.893 -15.865 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.049 -17.624 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.981 -18.067 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.106 -17.698 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.047 -17.574 -0.361 1.00 0.00 H new ATOM 99 N GLY A 15 11.636 -14.068 -2.328 1.00 0.00 N ATOM 100 CA GLY A 15 12.604 -13.352 -3.200 1.00 0.00 C ATOM 101 C GLY A 15 11.893 -12.102 -3.714 1.00 0.00 C ATOM 102 O GLY A 15 12.497 -11.081 -3.972 1.00 0.00 O ATOM 0 H GLY A 15 10.808 -14.421 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.502 -13.085 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.920 -13.986 -4.029 1.00 0.00 H new ATOM 103 N GLY A 16 10.592 -12.186 -3.827 1.00 0.00 N ATOM 104 CA GLY A 16 9.782 -11.028 -4.279 1.00 0.00 C ATOM 105 C GLY A 16 10.092 -10.664 -5.724 1.00 0.00 C ATOM 106 O GLY A 16 11.196 -10.823 -6.204 1.00 0.00 O ATOM 0 H GLY A 16 10.052 -13.026 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.722 -11.263 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.980 -10.171 -3.636 1.00 0.00 H new ATOM 107 N SER A 17 9.097 -10.157 -6.396 1.00 0.00 N ATOM 108 CA SER A 17 9.226 -9.733 -7.813 1.00 0.00 C ATOM 109 C SER A 17 7.870 -9.965 -8.465 1.00 0.00 C ATOM 110 O SER A 17 7.686 -10.907 -9.211 1.00 0.00 O ATOM 111 CB SER A 17 10.291 -10.563 -8.534 1.00 0.00 C ATOM 112 OG SER A 17 11.565 -9.965 -8.341 1.00 0.00 O ATOM 0 H SER A 17 8.166 -10.015 -6.003 1.00 0.00 H new ATOM 0 HA SER A 17 9.527 -8.687 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.294 -11.583 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.062 -10.623 -9.598 1.00 0.00 H new ATOM 0 HG SER A 17 11.925 -10.236 -7.471 1.00 0.00 H new ATOM 113 N LEU A 18 6.899 -9.145 -8.160 1.00 0.00 N ATOM 114 CA LEU A 18 5.559 -9.370 -8.734 1.00 0.00 C ATOM 115 C LEU A 18 5.139 -8.169 -9.559 1.00 0.00 C ATOM 116 O LEU A 18 5.847 -7.184 -9.646 1.00 0.00 O ATOM 117 CB LEU A 18 4.592 -9.649 -7.576 1.00 0.00 C ATOM 118 CG LEU A 18 3.624 -8.496 -7.307 1.00 0.00 C ATOM 119 CD1 LEU A 18 2.213 -8.946 -7.674 1.00 0.00 C ATOM 120 CD2 LEU A 18 3.680 -8.149 -5.821 1.00 0.00 C ATOM 0 H LEU A 18 6.983 -8.338 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 18 5.558 -10.227 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.020 -10.550 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.167 -9.851 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 18 3.895 -7.622 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.512 -8.133 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.181 -9.218 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.937 -9.809 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.994 -7.328 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.391 -9.020 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.694 -7.851 -5.555 1.00 0.00 H new ATOM 121 N ARG A 19 3.997 -8.247 -10.178 1.00 0.00 N ATOM 122 CA ARG A 19 3.555 -7.114 -11.017 1.00 0.00 C ATOM 123 C ARG A 19 2.035 -6.933 -10.975 1.00 0.00 C ATOM 124 O ARG A 19 1.291 -7.655 -11.609 1.00 0.00 O ATOM 125 CB ARG A 19 3.995 -7.393 -12.446 1.00 0.00 C ATOM 126 CG ARG A 19 4.190 -6.070 -13.189 1.00 0.00 C ATOM 127 CD ARG A 19 4.747 -6.344 -14.587 1.00 0.00 C ATOM 128 NE ARG A 19 3.847 -5.736 -15.609 1.00 0.00 N ATOM 129 CZ ARG A 19 4.334 -4.916 -16.502 1.00 0.00 C ATOM 130 NH1 ARG A 19 5.058 -5.378 -17.485 1.00 0.00 N ATOM 131 NH2 ARG A 19 4.093 -3.636 -16.413 1.00 0.00 N ATOM 0 H ARG A 19 3.358 -9.041 -10.137 1.00 0.00 H new ATOM 0 HA ARG A 19 4.001 -6.195 -10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.924 -7.963 -12.447 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.248 -8.001 -12.955 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.241 -5.539 -13.262 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.873 -5.427 -12.634 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.751 -5.929 -14.678 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.830 -7.418 -14.753 1.00 0.00 H new ATOM 0 HE ARG A 19 2.852 -5.960 -15.611 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.243 -6.379 -17.556 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.439 -4.738 -18.183 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.525 -3.276 -15.646 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.473 -2.996 -17.110 1.00 0.00 H new ATOM 132 N LEU A 20 1.578 -5.940 -10.264 1.00 0.00 N ATOM 133 CA LEU A 20 0.105 -5.667 -10.211 1.00 0.00 C ATOM 134 C LEU A 20 -0.147 -4.301 -10.843 1.00 0.00 C ATOM 135 O LEU A 20 0.523 -3.917 -11.780 1.00 0.00 O ATOM 136 CB LEU A 20 -0.391 -5.663 -8.768 1.00 0.00 C ATOM 137 CG LEU A 20 0.424 -6.651 -7.954 1.00 0.00 C ATOM 138 CD1 LEU A 20 1.772 -6.028 -7.601 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.331 -6.997 -6.669 1.00 0.00 C ATOM 0 H LEU A 20 2.156 -5.303 -9.716 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.432 -6.447 -10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.301 -4.663 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.447 -5.930 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 20 0.585 -7.558 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.358 -6.737 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.309 -5.781 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.612 -5.121 -7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.253 -7.707 -6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.491 -6.090 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.294 -7.441 -6.921 1.00 0.00 H new ATOM 140 N SER A 21 -1.100 -3.555 -10.353 1.00 0.00 N ATOM 141 CA SER A 21 -1.350 -2.229 -10.972 1.00 0.00 C ATOM 142 C SER A 21 -2.638 -1.583 -10.447 1.00 0.00 C ATOM 143 O SER A 21 -3.402 -2.175 -9.713 1.00 0.00 O ATOM 144 CB SER A 21 -1.486 -2.430 -12.472 1.00 0.00 C ATOM 145 OG SER A 21 -2.143 -3.665 -12.728 1.00 0.00 O ATOM 0 H SER A 21 -1.703 -3.802 -9.568 1.00 0.00 H new ATOM 0 HA SER A 21 -0.519 -1.569 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.052 -1.608 -12.910 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.502 -2.425 -12.941 1.00 0.00 H new ATOM 0 HG SER A 21 -2.232 -3.794 -13.695 1.00 0.00 H new ATOM 146 N CYS A 22 -2.871 -0.363 -10.856 1.00 0.00 N ATOM 147 CA CYS A 22 -4.089 0.381 -10.450 1.00 0.00 C ATOM 148 C CYS A 22 -4.856 0.761 -11.711 1.00 0.00 C ATOM 149 O CYS A 22 -4.443 1.638 -12.451 1.00 0.00 O ATOM 150 CB CYS A 22 -3.689 1.664 -9.722 1.00 0.00 C ATOM 151 SG CYS A 22 -3.367 1.284 -7.995 1.00 0.00 S ATOM 0 H CYS A 22 -2.247 0.158 -11.472 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.699 -0.238 -9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.802 2.097 -10.184 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.484 2.405 -9.802 1.00 0.00 H new ATOM 152 N ALA A 23 -5.965 0.126 -11.970 1.00 0.00 N ATOM 153 CA ALA A 23 -6.743 0.492 -13.180 1.00 0.00 C ATOM 154 C ALA A 23 -6.968 1.994 -13.109 1.00 0.00 C ATOM 155 O ALA A 23 -6.818 2.578 -12.059 1.00 0.00 O ATOM 156 CB ALA A 23 -8.088 -0.239 -13.188 1.00 0.00 C ATOM 0 H ALA A 23 -6.361 -0.622 -11.401 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.210 0.212 -14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.648 0.039 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.917 -1.316 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.658 0.038 -12.301 1.00 0.00 H new ATOM 157 N ALA A 24 -7.315 2.632 -14.189 1.00 0.00 N ATOM 158 CA ALA A 24 -7.525 4.104 -14.124 1.00 0.00 C ATOM 159 C ALA A 24 -7.757 4.679 -15.525 1.00 0.00 C ATOM 160 O ALA A 24 -7.049 4.370 -16.476 1.00 0.00 O ATOM 161 CB ALA A 24 -6.291 4.765 -13.504 1.00 0.00 C ATOM 0 H ALA A 24 -7.461 2.205 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.405 4.305 -13.512 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.442 5.843 -13.455 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.136 4.374 -12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.416 4.549 -14.117 1.00 0.00 H new ATOM 162 N SER A 25 -8.742 5.529 -15.642 1.00 0.00 N ATOM 163 CA SER A 25 -9.052 6.165 -16.951 1.00 0.00 C ATOM 164 C SER A 25 -9.752 7.497 -16.682 1.00 0.00 C ATOM 165 O SER A 25 -10.035 7.838 -15.550 1.00 0.00 O ATOM 166 CB SER A 25 -9.976 5.253 -17.761 1.00 0.00 C ATOM 167 OG SER A 25 -10.421 5.944 -18.921 1.00 0.00 O ATOM 0 H SER A 25 -9.352 5.812 -14.875 1.00 0.00 H new ATOM 0 HA SER A 25 -8.135 6.328 -17.517 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.448 4.343 -18.046 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.830 4.950 -17.155 1.00 0.00 H new ATOM 0 HG SER A 25 -11.012 5.361 -19.442 1.00 0.00 H new ATOM 168 N GLY A 26 -10.037 8.257 -17.701 1.00 0.00 N ATOM 169 CA GLY A 26 -10.719 9.561 -17.473 1.00 0.00 C ATOM 170 C GLY A 26 -9.946 10.360 -16.422 1.00 0.00 C ATOM 171 O GLY A 26 -10.522 11.062 -15.613 1.00 0.00 O ATOM 0 H GLY A 26 -9.829 8.035 -18.675 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.775 10.123 -18.405 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.743 9.395 -17.139 1.00 0.00 H new ATOM 172 N PHE A 27 -8.645 10.259 -16.427 1.00 0.00 N ATOM 173 CA PHE A 27 -7.835 11.012 -15.427 1.00 0.00 C ATOM 174 C PHE A 27 -6.363 10.592 -15.532 1.00 0.00 C ATOM 175 O PHE A 27 -5.482 11.327 -15.151 1.00 0.00 O ATOM 176 CB PHE A 27 -8.386 10.735 -14.005 1.00 0.00 C ATOM 177 CG PHE A 27 -7.428 9.880 -13.188 1.00 0.00 C ATOM 178 CD1 PHE A 27 -6.198 10.408 -12.766 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.769 8.563 -12.856 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.317 9.627 -12.022 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.885 7.778 -12.106 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.658 8.308 -11.689 1.00 0.00 C ATOM 0 H PHE A 27 -8.108 9.688 -17.080 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.903 12.082 -15.626 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.559 11.680 -13.491 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.350 10.232 -14.080 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.934 11.424 -13.019 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.714 8.153 -13.179 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.371 10.037 -11.701 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.150 6.763 -11.849 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.975 7.702 -11.112 1.00 0.00 H new ATOM 183 N THR A 28 -6.104 9.403 -16.012 1.00 0.00 N ATOM 184 CA THR A 28 -4.700 8.903 -16.115 1.00 0.00 C ATOM 185 C THR A 28 -4.239 8.445 -14.724 1.00 0.00 C ATOM 186 O THR A 28 -4.948 7.727 -14.052 1.00 0.00 O ATOM 187 CB THR A 28 -3.764 9.983 -16.691 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.367 10.890 -15.677 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.484 10.750 -17.803 1.00 0.00 C ATOM 0 H THR A 28 -6.814 8.749 -16.341 1.00 0.00 H new ATOM 0 HA THR A 28 -4.663 8.059 -16.803 1.00 0.00 H new ATOM 0 HB THR A 28 -2.877 9.494 -17.094 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.130 11.081 -15.092 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.819 11.513 -18.208 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.769 10.059 -18.596 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.377 11.225 -17.398 1.00 0.00 H new ATOM 190 N PHE A 29 -3.055 8.804 -14.288 1.00 0.00 N ATOM 191 CA PHE A 29 -2.584 8.325 -12.947 1.00 0.00 C ATOM 192 C PHE A 29 -1.512 9.273 -12.426 1.00 0.00 C ATOM 193 O PHE A 29 -1.513 9.673 -11.277 1.00 0.00 O ATOM 194 CB PHE A 29 -1.981 6.925 -13.094 1.00 0.00 C ATOM 195 CG PHE A 29 -2.547 6.313 -14.336 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.065 6.717 -15.585 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.593 5.394 -14.246 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.631 6.197 -16.741 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.150 4.874 -15.403 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.669 5.280 -16.651 1.00 0.00 C ATOM 0 H PHE A 29 -2.401 9.400 -14.794 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.424 8.295 -12.253 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.894 6.982 -13.157 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.219 6.313 -12.224 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.256 7.430 -15.650 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.966 5.090 -13.279 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.264 6.505 -17.709 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.954 4.156 -15.341 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.108 4.877 -17.552 1.00 0.00 H new ATOM 201 N SER A 30 -0.602 9.638 -13.279 1.00 0.00 N ATOM 202 CA SER A 30 0.483 10.567 -12.877 1.00 0.00 C ATOM 203 C SER A 30 0.001 11.991 -13.127 1.00 0.00 C ATOM 204 O SER A 30 0.387 12.921 -12.447 1.00 0.00 O ATOM 205 CB SER A 30 1.735 10.282 -13.711 1.00 0.00 C ATOM 206 OG SER A 30 2.221 11.495 -14.272 1.00 0.00 O ATOM 0 H SER A 30 -0.564 9.328 -14.250 1.00 0.00 H new ATOM 0 HA SER A 30 0.730 10.436 -11.824 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.503 9.825 -13.088 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.502 9.571 -14.503 1.00 0.00 H new ATOM 0 HG SER A 30 3.023 11.311 -14.804 1.00 0.00 H new ATOM 207 N SER A 31 -0.858 12.163 -14.094 1.00 0.00 N ATOM 208 CA SER A 31 -1.387 13.525 -14.377 1.00 0.00 C ATOM 209 C SER A 31 -1.988 14.072 -13.087 1.00 0.00 C ATOM 210 O SER A 31 -1.745 15.199 -12.703 1.00 0.00 O ATOM 211 CB SER A 31 -2.467 13.456 -15.459 1.00 0.00 C ATOM 212 OG SER A 31 -2.873 14.775 -15.807 1.00 0.00 O ATOM 0 H SER A 31 -1.215 11.422 -14.698 1.00 0.00 H new ATOM 0 HA SER A 31 -0.585 14.173 -14.732 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.084 12.938 -16.338 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.322 12.884 -15.099 1.00 0.00 H new ATOM 0 HG SER A 31 -3.834 14.876 -15.642 1.00 0.00 H new ATOM 213 N TYR A 32 -2.761 13.272 -12.402 1.00 0.00 N ATOM 214 CA TYR A 32 -3.359 13.735 -11.124 1.00 0.00 C ATOM 215 C TYR A 32 -2.750 12.927 -9.980 1.00 0.00 C ATOM 216 O TYR A 32 -3.348 12.751 -8.940 1.00 0.00 O ATOM 217 CB TYR A 32 -4.874 13.534 -11.172 1.00 0.00 C ATOM 218 CG TYR A 32 -5.392 14.070 -12.484 1.00 0.00 C ATOM 219 CD1 TYR A 32 -5.105 13.390 -13.670 1.00 0.00 C ATOM 220 CD2 TYR A 32 -6.145 15.248 -12.517 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.572 13.883 -14.893 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.615 15.743 -13.740 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.328 15.059 -14.929 1.00 0.00 C ATOM 224 OH TYR A 32 -6.788 15.547 -16.135 1.00 0.00 O ATOM 0 H TYR A 32 -3.002 12.319 -12.675 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.153 14.794 -10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.118 12.476 -11.073 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.350 14.050 -10.338 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.521 12.482 -13.643 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.364 15.775 -11.600 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.349 13.356 -15.809 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.198 16.651 -13.767 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.297 16.370 -15.982 1.00 0.00 H new ATOM 225 N ALA A 33 -1.555 12.435 -10.174 1.00 0.00 N ATOM 226 CA ALA A 33 -0.878 11.633 -9.115 1.00 0.00 C ATOM 227 C ALA A 33 -1.835 10.570 -8.574 1.00 0.00 C ATOM 228 O ALA A 33 -2.974 10.472 -8.986 1.00 0.00 O ATOM 229 CB ALA A 33 -0.439 12.556 -7.976 1.00 0.00 C ATOM 0 H ALA A 33 -1.014 12.556 -11.030 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.004 11.142 -9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.056 11.969 -7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.253 13.305 -8.361 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.312 13.052 -7.552 1.00 0.00 H new ATOM 230 N MET A 34 -1.377 9.760 -7.658 1.00 0.00 N ATOM 231 CA MET A 34 -2.247 8.701 -7.096 1.00 0.00 C ATOM 232 C MET A 34 -1.371 7.765 -6.266 1.00 0.00 C ATOM 233 O MET A 34 -0.243 7.493 -6.617 1.00 0.00 O ATOM 234 CB MET A 34 -2.912 7.933 -8.249 1.00 0.00 C ATOM 235 CG MET A 34 -3.176 6.481 -7.839 1.00 0.00 C ATOM 236 SD MET A 34 -1.691 5.498 -8.150 1.00 0.00 S ATOM 237 CE MET A 34 -2.531 4.024 -8.764 1.00 0.00 C ATOM 0 H MET A 34 -0.432 9.791 -7.276 1.00 0.00 H new ATOM 0 HA MET A 34 -3.028 9.128 -6.467 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.849 8.416 -8.524 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.270 7.958 -9.130 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.445 6.431 -6.784 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.018 6.079 -8.402 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.794 3.253 -8.990 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.221 3.656 -8.005 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.086 4.272 -9.669 1.00 0.00 H new ATOM 238 N SER A 35 -1.881 7.250 -5.189 1.00 0.00 N ATOM 239 CA SER A 35 -1.070 6.319 -4.368 1.00 0.00 C ATOM 240 C SER A 35 -1.768 4.994 -4.384 1.00 0.00 C ATOM 241 O SER A 35 -2.890 4.904 -4.841 1.00 0.00 O ATOM 242 CB SER A 35 -0.978 6.820 -2.935 1.00 0.00 C ATOM 243 OG SER A 35 -0.183 8.000 -2.892 1.00 0.00 O ATOM 0 H SER A 35 -2.823 7.433 -4.842 1.00 0.00 H new ATOM 0 HA SER A 35 -0.059 6.242 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.975 7.027 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.541 6.051 -2.298 1.00 0.00 H new ATOM 0 HG SER A 35 0.140 8.144 -1.978 1.00 0.00 H new ATOM 244 N TRP A 36 -1.163 3.942 -3.927 1.00 0.00 N ATOM 245 CA TRP A 36 -1.927 2.697 -4.014 1.00 0.00 C ATOM 246 C TRP A 36 -1.265 1.510 -3.305 1.00 0.00 C ATOM 247 O TRP A 36 -0.046 1.435 -3.113 1.00 0.00 O ATOM 248 CB TRP A 36 -2.182 2.450 -5.499 1.00 0.00 C ATOM 249 CG TRP A 36 -1.198 1.526 -6.083 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.015 1.885 -6.613 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.326 0.092 -6.255 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.588 0.770 -7.120 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.176 -0.379 -6.911 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.329 -0.836 -5.899 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.028 -1.741 -7.210 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.176 -2.189 -6.187 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.033 -2.645 -6.840 1.00 0.00 C ATOM 0 H TRP A 36 -0.228 3.894 -3.521 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.869 2.799 -3.475 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.184 2.043 -5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.150 3.399 -6.035 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.390 2.886 -6.634 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.490 0.776 -7.595 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.223 -0.493 -5.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.856 -2.091 -7.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.948 -2.889 -5.903 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.921 -3.696 -7.061 1.00 0.00 H new ATOM 258 N VAL A 37 -2.141 0.615 -2.895 1.00 0.00 N ATOM 259 CA VAL A 37 -1.801 -0.624 -2.141 1.00 0.00 C ATOM 260 C VAL A 37 -2.306 -0.426 -0.696 1.00 0.00 C ATOM 261 O VAL A 37 -3.021 0.510 -0.473 1.00 0.00 O ATOM 262 CB VAL A 37 -0.293 -0.920 -2.207 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.007 -2.251 -1.544 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.153 -1.020 -3.661 1.00 0.00 C ATOM 0 H VAL A 37 -3.141 0.711 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.284 -1.496 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 37 0.241 -0.116 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.062 -2.459 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.323 -2.214 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.554 -3.040 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.222 -1.230 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.393 -1.824 -4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.051 -0.078 -4.170 1.00 0.00 H new ATOM 265 N ARG A 38 -1.981 -1.303 0.251 1.00 0.00 N ATOM 266 CA ARG A 38 -2.441 -1.178 1.682 1.00 0.00 C ATOM 267 C ARG A 38 -3.431 -2.286 2.082 1.00 0.00 C ATOM 268 O ARG A 38 -4.630 -2.096 2.071 1.00 0.00 O ATOM 269 CB ARG A 38 -3.064 0.192 2.007 1.00 0.00 C ATOM 270 CG ARG A 38 -1.951 1.204 2.298 1.00 0.00 C ATOM 271 CD ARG A 38 -1.608 1.991 1.032 1.00 0.00 C ATOM 272 NE ARG A 38 -0.834 3.209 1.401 1.00 0.00 N ATOM 273 CZ ARG A 38 -1.187 4.373 0.929 1.00 0.00 C ATOM 274 NH1 ARG A 38 -2.298 4.930 1.330 1.00 0.00 N ATOM 275 NH2 ARG A 38 -0.432 4.980 0.056 1.00 0.00 N ATOM 0 H ARG A 38 -1.398 -2.122 0.078 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.529 -1.285 2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.672 0.535 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.727 0.107 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.268 1.888 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.065 0.686 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.027 1.370 0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.521 2.272 0.507 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.029 3.133 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.889 4.455 2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.574 5.840 0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.435 4.545 -0.258 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.709 5.890 -0.312 1.00 0.00 H new ATOM 276 N GLN A 39 -2.924 -3.427 2.498 1.00 0.00 N ATOM 277 CA GLN A 39 -3.811 -4.529 2.974 1.00 0.00 C ATOM 278 C GLN A 39 -3.002 -5.824 3.073 1.00 0.00 C ATOM 279 O GLN A 39 -1.861 -5.878 2.664 1.00 0.00 O ATOM 280 CB GLN A 39 -4.986 -4.698 2.024 1.00 0.00 C ATOM 281 CG GLN A 39 -6.227 -4.062 2.658 1.00 0.00 C ATOM 282 CD GLN A 39 -7.323 -5.116 2.824 1.00 0.00 C ATOM 283 OE1 GLN A 39 -8.570 -4.776 2.639 1.00 0.00 O flip ATOM 284 NE2 GLN A 39 -7.042 -6.261 3.124 1.00 0.00 N flip ATOM 0 H GLN A 39 -1.926 -3.638 2.526 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.204 -4.283 3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.768 -4.227 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.163 -5.755 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.972 -3.634 3.627 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.587 -3.245 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.068 -6.526 3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.781 -6.956 3.231 1.00 0.00 H new ATOM 285 N ALA A 40 -3.565 -6.861 3.640 1.00 0.00 N ATOM 286 CA ALA A 40 -2.804 -8.132 3.778 1.00 0.00 C ATOM 287 C ALA A 40 -3.646 -9.156 4.555 1.00 0.00 C ATOM 288 O ALA A 40 -4.747 -8.857 4.972 1.00 0.00 O ATOM 289 CB ALA A 40 -1.511 -7.841 4.536 1.00 0.00 C ATOM 0 H ALA A 40 -4.515 -6.879 4.011 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.574 -8.541 2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.939 -8.762 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.920 -7.112 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.749 -7.441 5.522 1.00 0.00 H new ATOM 290 N PRO A 41 -3.100 -10.338 4.725 1.00 0.00 N ATOM 291 CA PRO A 41 -3.774 -11.437 5.449 1.00 0.00 C ATOM 292 C PRO A 41 -3.631 -11.222 6.956 1.00 0.00 C ATOM 293 O PRO A 41 -2.755 -11.781 7.585 1.00 0.00 O ATOM 294 CB PRO A 41 -2.989 -12.680 5.018 1.00 0.00 C ATOM 295 CG PRO A 41 -1.598 -12.177 4.563 1.00 0.00 C ATOM 296 CD PRO A 41 -1.759 -10.688 4.213 1.00 0.00 C ATOM 0 HA PRO A 41 -4.840 -11.510 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.897 -13.387 5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.499 -13.201 4.207 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.860 -12.311 5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.246 -12.742 3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.983 -10.083 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.687 -10.522 3.138 1.00 0.00 H new ATOM 297 N GLY A 42 -4.455 -10.397 7.542 1.00 0.00 N ATOM 298 CA GLY A 42 -4.309 -10.141 9.004 1.00 0.00 C ATOM 299 C GLY A 42 -2.849 -9.814 9.278 1.00 0.00 C ATOM 300 O GLY A 42 -2.363 -9.929 10.386 1.00 0.00 O ATOM 0 H GLY A 42 -5.213 -9.895 7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.949 -9.315 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.618 -11.015 9.577 1.00 0.00 H new ATOM 301 N LYS A 43 -2.158 -9.376 8.267 1.00 0.00 N ATOM 302 CA LYS A 43 -0.739 -8.999 8.428 1.00 0.00 C ATOM 303 C LYS A 43 -0.688 -7.479 8.461 1.00 0.00 C ATOM 304 O LYS A 43 0.331 -6.868 8.214 1.00 0.00 O ATOM 305 CB LYS A 43 0.060 -9.532 7.231 1.00 0.00 C ATOM 306 CG LYS A 43 1.496 -8.992 7.267 1.00 0.00 C ATOM 307 CD LYS A 43 2.033 -9.031 8.701 1.00 0.00 C ATOM 308 CE LYS A 43 3.543 -8.780 8.691 1.00 0.00 C ATOM 309 NZ LYS A 43 3.822 -7.439 8.099 1.00 0.00 N ATOM 0 H LYS A 43 -2.527 -9.263 7.323 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.312 -9.416 9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.073 -10.622 7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.424 -9.235 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.134 -9.588 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.519 -7.970 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.533 -8.276 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.818 -9.999 9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.937 -8.830 9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.047 -9.556 8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.799 -7.159 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.698 -7.482 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.164 -6.740 8.498 1.00 0.00 H new ATOM 310 N GLU A 44 -1.807 -6.869 8.753 1.00 0.00 N ATOM 311 CA GLU A 44 -1.866 -5.391 8.790 1.00 0.00 C ATOM 312 C GLU A 44 -1.678 -4.874 7.362 1.00 0.00 C ATOM 313 O GLU A 44 -1.255 -5.605 6.489 1.00 0.00 O ATOM 314 CB GLU A 44 -0.785 -4.880 9.753 1.00 0.00 C ATOM 315 CG GLU A 44 0.419 -4.295 8.999 1.00 0.00 C ATOM 316 CD GLU A 44 1.682 -4.471 9.845 1.00 0.00 C ATOM 317 OE1 GLU A 44 1.708 -5.386 10.652 1.00 0.00 O ATOM 318 OE2 GLU A 44 2.601 -3.688 9.674 1.00 0.00 O ATOM 0 H GLU A 44 -2.685 -7.341 8.968 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.826 -5.028 9.156 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.210 -4.118 10.406 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.452 -5.697 10.392 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.539 -4.796 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.253 -3.238 8.789 1.00 0.00 H new ATOM 319 N ARG A 45 -2.012 -3.644 7.099 1.00 0.00 N ATOM 320 CA ARG A 45 -1.866 -3.137 5.706 1.00 0.00 C ATOM 321 C ARG A 45 -0.468 -3.413 5.184 1.00 0.00 C ATOM 322 O ARG A 45 0.340 -4.073 5.806 1.00 0.00 O ATOM 323 CB ARG A 45 -2.081 -1.629 5.642 1.00 0.00 C ATOM 324 CG ARG A 45 -3.496 -1.326 5.156 1.00 0.00 C ATOM 325 CD ARG A 45 -3.957 0.016 5.724 1.00 0.00 C ATOM 326 NE ARG A 45 -5.333 -0.123 6.281 1.00 0.00 N ATOM 327 CZ ARG A 45 -6.352 0.382 5.638 1.00 0.00 C ATOM 328 NH1 ARG A 45 -6.829 -0.229 4.588 1.00 0.00 N ATOM 329 NH2 ARG A 45 -6.894 1.496 6.048 1.00 0.00 N ATOM 0 H ARG A 45 -2.375 -2.974 7.777 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.615 -3.650 5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.923 -1.188 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.352 -1.177 4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.519 -1.298 4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.176 -2.118 5.469 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.270 0.348 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.945 0.776 4.943 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.479 -0.612 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.406 -1.101 4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.625 0.165 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.522 1.972 6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.690 1.891 5.546 1.00 0.00 H new ATOM 330 N GLU A 46 -0.193 -2.884 4.034 1.00 0.00 N ATOM 331 CA GLU A 46 1.131 -3.062 3.413 1.00 0.00 C ATOM 332 C GLU A 46 1.088 -2.385 2.052 1.00 0.00 C ATOM 333 O GLU A 46 0.545 -2.917 1.107 1.00 0.00 O ATOM 334 CB GLU A 46 1.418 -4.549 3.251 1.00 0.00 C ATOM 335 CG GLU A 46 2.930 -4.769 3.171 1.00 0.00 C ATOM 336 CD GLU A 46 3.225 -6.267 3.075 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.882 -6.854 2.061 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.789 -6.800 4.014 1.00 0.00 O ATOM 0 H GLU A 46 -0.848 -2.323 3.489 1.00 0.00 H new ATOM 0 HA GLU A 46 1.917 -2.626 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.003 -5.104 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.936 -4.928 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.338 -4.251 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.416 -4.348 4.051 1.00 0.00 H new ATOM 339 N ILE A 47 1.629 -1.203 1.957 1.00 0.00 N ATOM 340 CA ILE A 47 1.608 -0.470 0.664 1.00 0.00 C ATOM 341 C ILE A 47 2.661 -1.054 -0.262 1.00 0.00 C ATOM 342 O ILE A 47 3.465 -1.877 0.125 1.00 0.00 O ATOM 343 CB ILE A 47 1.967 1.005 0.901 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.470 1.848 -0.293 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.490 1.139 1.053 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.640 2.301 -1.200 1.00 0.00 C ATOM 0 H ILE A 47 2.087 -0.712 2.725 1.00 0.00 H new ATOM 0 HA ILE A 47 0.614 -0.557 0.226 1.00 0.00 H new ATOM 0 HB ILE A 47 1.488 1.364 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.760 1.265 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.936 2.723 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.748 2.185 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.825 0.541 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.979 0.786 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.250 2.892 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.337 2.906 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.158 1.425 -1.591 1.00 0.00 H new ATOM 347 N VAL A 48 2.708 -0.569 -1.459 1.00 0.00 N ATOM 348 CA VAL A 48 3.759 -1.014 -2.381 1.00 0.00 C ATOM 349 C VAL A 48 4.273 0.199 -3.141 1.00 0.00 C ATOM 350 O VAL A 48 5.447 0.299 -3.418 1.00 0.00 O ATOM 351 CB VAL A 48 3.257 -2.059 -3.358 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.442 -2.524 -4.197 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.698 -3.251 -2.584 1.00 0.00 C ATOM 0 H VAL A 48 2.058 0.120 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 48 4.557 -1.477 -1.801 1.00 0.00 H new ATOM 0 HB VAL A 48 2.474 -1.641 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.109 -3.278 -4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.862 -1.675 -4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.204 -2.952 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.337 -4.003 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.483 -3.682 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.875 -2.920 -1.951 1.00 0.00 H new ATOM 354 N SER A 49 3.442 1.154 -3.475 1.00 0.00 N ATOM 355 CA SER A 49 4.027 2.310 -4.198 1.00 0.00 C ATOM 356 C SER A 49 2.999 3.390 -4.512 1.00 0.00 C ATOM 357 O SER A 49 1.800 3.171 -4.504 1.00 0.00 O ATOM 358 CB SER A 49 4.656 1.814 -5.498 1.00 0.00 C ATOM 359 OG SER A 49 6.047 2.105 -5.494 1.00 0.00 O ATOM 0 H SER A 49 2.439 1.183 -3.289 1.00 0.00 H new ATOM 0 HA SER A 49 4.777 2.761 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.499 0.741 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.176 2.292 -6.352 1.00 0.00 H new ATOM 0 HG SER A 49 6.188 3.023 -5.181 1.00 0.00 H new ATOM 360 N ALA A 50 3.488 4.569 -4.791 1.00 0.00 N ATOM 361 CA ALA A 50 2.578 5.707 -5.122 1.00 0.00 C ATOM 362 C ALA A 50 3.357 6.803 -5.863 1.00 0.00 C ATOM 363 O ALA A 50 4.557 6.719 -6.035 1.00 0.00 O ATOM 364 CB ALA A 50 1.986 6.269 -3.832 1.00 0.00 C ATOM 0 H ALA A 50 4.483 4.795 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 50 1.773 5.353 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.321 7.100 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.423 5.489 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.790 6.620 -3.186 1.00 0.00 H new ATOM 365 N VAL A 51 2.676 7.829 -6.307 1.00 0.00 N ATOM 366 CA VAL A 51 3.356 8.932 -7.041 1.00 0.00 C ATOM 367 C VAL A 51 2.527 10.206 -6.878 1.00 0.00 C ATOM 368 O VAL A 51 1.565 10.427 -7.586 1.00 0.00 O ATOM 369 CB VAL A 51 3.447 8.575 -8.526 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.044 8.298 -9.069 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.063 9.746 -9.293 1.00 0.00 C ATOM 0 H VAL A 51 1.670 7.948 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 51 4.360 9.082 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 51 4.069 7.688 -8.650 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.107 8.043 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.600 7.467 -8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.424 9.186 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.129 9.493 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.439 10.631 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.061 9.949 -8.906 1.00 0.00 H new ATOM 372 N SER A 52 2.873 11.034 -5.937 1.00 0.00 N ATOM 373 CA SER A 52 2.077 12.278 -5.724 1.00 0.00 C ATOM 374 C SER A 52 2.972 13.516 -5.784 1.00 0.00 C ATOM 375 O SER A 52 4.153 13.435 -6.048 1.00 0.00 O ATOM 376 CB SER A 52 1.410 12.216 -4.354 1.00 0.00 C ATOM 377 OG SER A 52 2.223 12.890 -3.404 1.00 0.00 O ATOM 0 H SER A 52 3.666 10.908 -5.308 1.00 0.00 H new ATOM 0 HA SER A 52 1.327 12.349 -6.512 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.423 12.676 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.265 11.178 -4.054 1.00 0.00 H new ATOM 0 HG SER A 52 1.796 12.853 -2.523 1.00 0.00 H new ATOM 378 N GLY A 53 2.399 14.664 -5.538 1.00 0.00 N ATOM 379 CA GLY A 53 3.187 15.930 -5.569 1.00 0.00 C ATOM 380 C GLY A 53 3.857 16.077 -6.931 1.00 0.00 C ATOM 381 O GLY A 53 5.061 15.977 -7.053 1.00 0.00 O ATOM 0 H GLY A 53 1.410 14.779 -5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.534 16.782 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.939 15.922 -4.780 1.00 0.00 H new ATOM 382 N SER A 54 3.090 16.302 -7.963 1.00 0.00 N ATOM 383 CA SER A 54 3.696 16.436 -9.315 1.00 0.00 C ATOM 384 C SER A 54 4.494 15.167 -9.611 1.00 0.00 C ATOM 385 O SER A 54 5.345 15.138 -10.477 1.00 0.00 O ATOM 386 CB SER A 54 4.628 17.649 -9.345 1.00 0.00 C ATOM 387 OG SER A 54 5.966 17.219 -9.133 1.00 0.00 O ATOM 0 H SER A 54 2.075 16.398 -7.928 1.00 0.00 H new ATOM 0 HA SER A 54 2.916 16.574 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.546 18.161 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.338 18.364 -8.576 1.00 0.00 H new ATOM 0 HG SER A 54 6.053 16.854 -8.228 1.00 0.00 H new ATOM 388 N GLY A 55 4.218 14.116 -8.888 1.00 0.00 N ATOM 389 CA GLY A 55 4.945 12.839 -9.103 1.00 0.00 C ATOM 390 C GLY A 55 6.188 12.799 -8.212 1.00 0.00 C ATOM 391 O GLY A 55 6.648 11.742 -7.830 1.00 0.00 O ATOM 0 H GLY A 55 3.513 14.090 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.294 11.995 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.233 12.745 -10.150 1.00 0.00 H new ATOM 392 N GLY A 56 6.729 13.940 -7.868 1.00 0.00 N ATOM 393 CA GLY A 56 7.936 13.957 -6.989 1.00 0.00 C ATOM 394 C GLY A 56 7.734 12.944 -5.862 1.00 0.00 C ATOM 395 O GLY A 56 8.522 12.036 -5.680 1.00 0.00 O ATOM 0 H GLY A 56 6.388 14.857 -8.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.827 13.709 -7.565 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.090 14.955 -6.578 1.00 0.00 H new ATOM 396 N SER A 57 6.673 13.082 -5.115 1.00 0.00 N ATOM 397 CA SER A 57 6.405 12.115 -4.016 1.00 0.00 C ATOM 398 C SER A 57 6.340 10.708 -4.611 1.00 0.00 C ATOM 399 O SER A 57 5.970 10.529 -5.754 1.00 0.00 O ATOM 400 CB SER A 57 5.071 12.453 -3.348 1.00 0.00 C ATOM 401 OG SER A 57 5.320 13.131 -2.124 1.00 0.00 O ATOM 0 H SER A 57 5.980 13.823 -5.219 1.00 0.00 H new ATOM 0 HA SER A 57 7.198 12.168 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.468 13.078 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.502 11.542 -3.164 1.00 0.00 H new ATOM 0 HG SER A 57 4.477 13.482 -1.767 1.00 0.00 H new ATOM 402 N THR A 58 6.693 9.708 -3.854 1.00 0.00 N ATOM 403 CA THR A 58 6.657 8.322 -4.392 1.00 0.00 C ATOM 404 C THR A 58 6.692 7.340 -3.231 1.00 0.00 C ATOM 405 O THR A 58 7.345 7.565 -2.233 1.00 0.00 O ATOM 406 CB THR A 58 7.867 8.094 -5.300 1.00 0.00 C ATOM 407 OG1 THR A 58 9.028 8.634 -4.682 1.00 0.00 O ATOM 408 CG2 THR A 58 7.634 8.780 -6.646 1.00 0.00 C ATOM 0 H THR A 58 7.005 9.791 -2.886 1.00 0.00 H new ATOM 0 HA THR A 58 5.745 8.173 -4.970 1.00 0.00 H new ATOM 0 HB THR A 58 8.006 7.025 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.805 8.488 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.497 8.617 -7.292 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.744 8.363 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.495 9.850 -6.490 1.00 0.00 H new ATOM 409 N TYR A 59 5.983 6.257 -3.343 1.00 0.00 N ATOM 410 CA TYR A 59 5.968 5.278 -2.229 1.00 0.00 C ATOM 411 C TYR A 59 6.544 3.944 -2.675 1.00 0.00 C ATOM 412 O TYR A 59 6.563 3.630 -3.849 1.00 0.00 O ATOM 413 CB TYR A 59 4.550 5.077 -1.758 1.00 0.00 C ATOM 414 CG TYR A 59 4.476 5.456 -0.312 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.392 6.803 0.055 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.492 4.460 0.660 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.323 7.150 1.409 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.426 4.799 2.012 1.00 0.00 C ATOM 419 CZ TYR A 59 4.340 6.147 2.390 1.00 0.00 C ATOM 420 OH TYR A 59 4.271 6.486 3.727 1.00 0.00 O ATOM 0 H TYR A 59 5.416 6.008 -4.154 1.00 0.00 H new ATOM 0 HA TYR A 59 6.580 5.668 -1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.865 5.688 -2.346 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.248 4.038 -1.894 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.380 7.572 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.556 3.422 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.257 8.188 1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.441 4.025 2.765 1.00 0.00 H new ATOM 0 HH TYR A 59 4.293 5.672 4.272 1.00 0.00 H new ATOM 421 N TYR A 60 7.040 3.184 -1.724 1.00 0.00 N ATOM 422 CA TYR A 60 7.674 1.863 -2.020 1.00 0.00 C ATOM 423 C TYR A 60 7.450 0.896 -0.855 1.00 0.00 C ATOM 424 O TYR A 60 8.392 0.484 -0.208 1.00 0.00 O ATOM 425 CB TYR A 60 9.184 2.046 -2.153 1.00 0.00 C ATOM 426 CG TYR A 60 9.502 2.925 -3.324 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.157 4.274 -3.289 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.150 2.390 -4.435 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.457 5.100 -4.372 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.455 3.207 -5.522 1.00 0.00 C ATOM 431 CZ TYR A 60 10.110 4.568 -5.495 1.00 0.00 C ATOM 432 OH TYR A 60 10.409 5.379 -6.570 1.00 0.00 O ATOM 0 H TYR A 60 7.030 3.433 -0.735 1.00 0.00 H new ATOM 0 HA TYR A 60 7.234 1.472 -2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.585 2.486 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.665 1.076 -2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.657 4.681 -2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.416 1.343 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.188 6.146 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.956 2.794 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 60 10.862 4.852 -7.261 1.00 0.00 H new ATOM 433 N ALA A 61 6.241 0.518 -0.573 1.00 0.00 N ATOM 434 CA ALA A 61 6.030 -0.428 0.557 1.00 0.00 C ATOM 435 C ALA A 61 6.672 0.139 1.829 1.00 0.00 C ATOM 436 O ALA A 61 6.056 0.884 2.564 1.00 0.00 O ATOM 437 CB ALA A 61 6.680 -1.771 0.215 1.00 0.00 C ATOM 0 H ALA A 61 5.399 0.816 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 61 4.962 -0.567 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.529 -2.469 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.226 -2.175 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.748 -1.627 0.052 1.00 0.00 H new ATOM 438 N ASP A 62 7.907 -0.205 2.095 1.00 0.00 N ATOM 439 CA ASP A 62 8.575 0.321 3.317 1.00 0.00 C ATOM 440 C ASP A 62 10.066 -0.029 3.281 1.00 0.00 C ATOM 441 O ASP A 62 10.915 0.839 3.249 1.00 0.00 O ATOM 442 CB ASP A 62 7.938 -0.305 4.561 1.00 0.00 C ATOM 443 CG ASP A 62 6.866 0.635 5.116 1.00 0.00 C ATOM 444 OD1 ASP A 62 7.207 1.759 5.448 1.00 0.00 O ATOM 445 OD2 ASP A 62 5.724 0.216 5.197 1.00 0.00 O ATOM 0 H ASP A 62 8.477 -0.825 1.519 1.00 0.00 H new ATOM 0 HA ASP A 62 8.456 1.404 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.496 -1.269 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.700 -0.491 5.318 1.00 0.00 H new ATOM 446 N SER A 63 10.390 -1.294 3.286 1.00 0.00 N ATOM 447 CA SER A 63 11.826 -1.696 3.252 1.00 0.00 C ATOM 448 C SER A 63 12.312 -1.744 1.809 1.00 0.00 C ATOM 449 O SER A 63 13.347 -2.306 1.514 1.00 0.00 O ATOM 450 CB SER A 63 11.987 -3.086 3.850 1.00 0.00 C ATOM 451 OG SER A 63 12.592 -2.981 5.132 1.00 0.00 O ATOM 0 H SER A 63 9.723 -2.066 3.312 1.00 0.00 H new ATOM 0 HA SER A 63 12.404 -0.970 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.015 -3.573 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.600 -3.707 3.196 1.00 0.00 H new ATOM 0 HG SER A 63 12.695 -3.875 5.519 1.00 0.00 H new ATOM 452 N VAL A 64 11.579 -1.169 0.907 1.00 0.00 N ATOM 453 CA VAL A 64 12.017 -1.201 -0.508 1.00 0.00 C ATOM 454 C VAL A 64 12.034 0.225 -1.058 1.00 0.00 C ATOM 455 O VAL A 64 11.705 0.471 -2.202 1.00 0.00 O ATOM 456 CB VAL A 64 11.060 -2.065 -1.329 1.00 0.00 C ATOM 457 CG1 VAL A 64 11.209 -3.528 -0.907 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.619 -1.609 -1.087 1.00 0.00 C ATOM 0 H VAL A 64 10.701 -0.681 1.086 1.00 0.00 H new ATOM 0 HA VAL A 64 13.018 -1.629 -0.572 1.00 0.00 H new ATOM 0 HB VAL A 64 11.298 -1.963 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.527 -4.146 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.234 -3.854 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.971 -3.627 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.939 -2.226 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.379 -1.709 -0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.512 -0.566 -1.386 1.00 0.00 H new ATOM 459 N LYS A 65 12.412 1.165 -0.241 1.00 0.00 N ATOM 460 CA LYS A 65 12.461 2.581 -0.697 1.00 0.00 C ATOM 461 C LYS A 65 13.196 2.656 -2.036 1.00 0.00 C ATOM 462 O LYS A 65 13.005 3.572 -2.811 1.00 0.00 O ATOM 463 CB LYS A 65 13.212 3.421 0.338 1.00 0.00 C ATOM 464 CG LYS A 65 14.653 2.917 0.450 1.00 0.00 C ATOM 465 CD LYS A 65 15.077 2.908 1.922 1.00 0.00 C ATOM 466 CE LYS A 65 14.640 1.594 2.573 1.00 0.00 C ATOM 467 NZ LYS A 65 15.583 1.248 3.676 1.00 0.00 N ATOM 0 H LYS A 65 12.691 1.013 0.728 1.00 0.00 H new ATOM 0 HA LYS A 65 11.447 2.963 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.204 4.471 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.715 3.355 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.732 1.914 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.320 3.557 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.158 3.023 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.628 3.752 2.446 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.626 1.688 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.623 0.796 1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.286 0.355 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.543 1.142 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.578 2.006 4.388 1.00 0.00 H new ATOM 468 N GLY A 66 14.041 1.699 -2.310 1.00 0.00 N ATOM 469 CA GLY A 66 14.792 1.716 -3.596 1.00 0.00 C ATOM 470 C GLY A 66 14.694 0.345 -4.273 1.00 0.00 C ATOM 471 O GLY A 66 15.290 0.112 -5.305 1.00 0.00 O ATOM 0 H GLY A 66 14.243 0.907 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.388 2.486 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.837 1.968 -3.414 1.00 0.00 H new ATOM 472 N ARG A 67 13.947 -0.563 -3.705 1.00 0.00 N ATOM 473 CA ARG A 67 13.818 -1.910 -4.327 1.00 0.00 C ATOM 474 C ARG A 67 12.389 -2.097 -4.840 1.00 0.00 C ATOM 475 O ARG A 67 11.993 -3.183 -5.215 1.00 0.00 O ATOM 476 CB ARG A 67 14.136 -2.987 -3.286 1.00 0.00 C ATOM 477 CG ARG A 67 15.213 -3.927 -3.835 1.00 0.00 C ATOM 478 CD ARG A 67 15.179 -5.249 -3.064 1.00 0.00 C ATOM 479 NE ARG A 67 16.445 -5.999 -3.304 1.00 0.00 N ATOM 480 CZ ARG A 67 17.580 -5.358 -3.373 1.00 0.00 C ATOM 481 NH1 ARG A 67 17.855 -4.427 -2.500 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.437 -5.649 -4.313 1.00 0.00 N ATOM 0 H ARG A 67 13.423 -0.430 -2.840 1.00 0.00 H new ATOM 0 HA ARG A 67 14.517 -1.996 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.480 -2.524 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.235 -3.551 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.045 -4.109 -4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.196 -3.465 -3.742 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.054 -5.057 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.324 -5.846 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 67 16.424 -7.013 -3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.184 -4.202 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.741 -3.925 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.220 -6.377 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 67 19.324 -5.148 -4.367 1.00 0.00 H new ATOM 483 N PHE A 68 11.615 -1.043 -4.871 1.00 0.00 N ATOM 484 CA PHE A 68 10.213 -1.150 -5.364 1.00 0.00 C ATOM 485 C PHE A 68 10.043 -0.173 -6.519 1.00 0.00 C ATOM 486 O PHE A 68 10.834 0.733 -6.687 1.00 0.00 O ATOM 487 CB PHE A 68 9.252 -0.770 -4.239 1.00 0.00 C ATOM 488 CG PHE A 68 8.600 -2.002 -3.660 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.211 -3.252 -3.782 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.380 -1.886 -2.987 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.597 -4.383 -3.235 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.767 -3.016 -2.439 1.00 0.00 C ATOM 493 CZ PHE A 68 7.376 -4.266 -2.563 1.00 0.00 C ATOM 0 H PHE A 68 11.897 -0.109 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 68 10.001 -2.168 -5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.792 -0.236 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.488 -0.092 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.155 -3.345 -4.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.909 -0.919 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.067 -5.350 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.824 -2.922 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.905 -5.141 -2.141 1.00 0.00 H new ATOM 494 N THR A 69 9.043 -0.341 -7.332 1.00 0.00 N ATOM 495 CA THR A 69 8.891 0.605 -8.470 1.00 0.00 C ATOM 496 C THR A 69 7.416 0.885 -8.770 1.00 0.00 C ATOM 497 O THR A 69 6.626 -0.019 -8.963 1.00 0.00 O ATOM 498 CB THR A 69 9.538 -0.014 -9.700 1.00 0.00 C ATOM 499 OG1 THR A 69 9.610 0.952 -10.740 1.00 0.00 O ATOM 500 CG2 THR A 69 8.693 -1.199 -10.151 1.00 0.00 C ATOM 0 H THR A 69 8.338 -1.075 -7.263 1.00 0.00 H new ATOM 0 HA THR A 69 9.369 1.549 -8.207 1.00 0.00 H new ATOM 0 HB THR A 69 10.547 -0.349 -9.462 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.029 0.551 -11.530 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.145 -1.653 -11.033 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.642 -1.936 -9.349 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.687 -0.857 -10.394 1.00 0.00 H new ATOM 501 N ILE A 70 7.055 2.137 -8.848 1.00 0.00 N ATOM 502 CA ILE A 70 5.649 2.493 -9.180 1.00 0.00 C ATOM 503 C ILE A 70 5.496 2.432 -10.697 1.00 0.00 C ATOM 504 O ILE A 70 5.411 3.444 -11.363 1.00 0.00 O ATOM 505 CB ILE A 70 5.348 3.906 -8.688 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.969 4.345 -9.187 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.409 4.850 -9.230 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.955 3.230 -8.935 1.00 0.00 C ATOM 0 H ILE A 70 7.677 2.931 -8.695 1.00 0.00 H new ATOM 0 HA ILE A 70 4.956 1.801 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 70 5.354 3.926 -7.598 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.658 5.256 -8.675 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.013 4.577 -10.251 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.205 5.864 -8.885 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.391 4.537 -8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.394 4.828 -10.320 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.974 3.544 -9.291 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.264 2.330 -9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.904 3.020 -7.867 1.00 0.00 H new ATOM 509 N SER A 71 5.469 1.250 -11.258 1.00 0.00 N ATOM 510 CA SER A 71 5.330 1.146 -12.734 1.00 0.00 C ATOM 511 C SER A 71 4.073 1.900 -13.141 1.00 0.00 C ATOM 512 O SER A 71 3.146 2.019 -12.364 1.00 0.00 O ATOM 513 CB SER A 71 5.212 -0.323 -13.143 1.00 0.00 C ATOM 514 OG SER A 71 6.432 -0.744 -13.740 1.00 0.00 O ATOM 0 H SER A 71 5.537 0.362 -10.760 1.00 0.00 H new ATOM 0 HA SER A 71 6.203 1.572 -13.228 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.989 -0.938 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.387 -0.452 -13.844 1.00 0.00 H new ATOM 0 HG SER A 71 6.360 -1.686 -14.002 1.00 0.00 H new ATOM 515 N ARG A 72 4.014 2.431 -14.331 1.00 0.00 N ATOM 516 CA ARG A 72 2.785 3.173 -14.697 1.00 0.00 C ATOM 517 C ARG A 72 2.580 3.219 -16.214 1.00 0.00 C ATOM 518 O ARG A 72 3.518 3.192 -16.988 1.00 0.00 O ATOM 519 CB ARG A 72 2.865 4.585 -14.117 1.00 0.00 C ATOM 520 CG ARG A 72 1.833 5.490 -14.786 1.00 0.00 C ATOM 521 CD ARG A 72 1.308 6.491 -13.759 1.00 0.00 C ATOM 522 NE ARG A 72 2.455 7.061 -12.997 1.00 0.00 N ATOM 523 CZ ARG A 72 3.408 7.688 -13.628 1.00 0.00 C ATOM 524 NH1 ARG A 72 3.201 8.144 -14.833 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.571 7.856 -13.057 1.00 0.00 N ATOM 0 H ARG A 72 4.742 2.384 -15.044 1.00 0.00 H new ATOM 0 HA ARG A 72 1.924 2.652 -14.278 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.690 4.555 -13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.866 4.991 -14.266 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.283 6.016 -15.628 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.012 4.894 -15.185 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.757 7.287 -14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.612 6.000 -13.078 1.00 0.00 H new ATOM 0 HE ARG A 72 2.494 6.961 -11.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.294 8.010 -15.280 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.946 8.635 -15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.734 7.496 -12.117 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.316 8.347 -13.552 1.00 0.00 H new ATOM 526 N ASP A 73 1.339 3.286 -16.634 1.00 0.00 N ATOM 527 CA ASP A 73 1.029 3.335 -18.087 1.00 0.00 C ATOM 528 C ASP A 73 0.030 4.477 -18.350 1.00 0.00 C ATOM 529 O ASP A 73 -1.173 4.339 -18.157 1.00 0.00 O ATOM 530 CB ASP A 73 0.439 1.990 -18.520 1.00 0.00 C ATOM 531 CG ASP A 73 1.364 0.860 -18.060 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.621 0.778 -16.871 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.799 0.097 -18.907 1.00 0.00 O ATOM 0 H ASP A 73 0.524 3.309 -16.021 1.00 0.00 H new ATOM 0 HA ASP A 73 1.936 3.521 -18.662 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.554 1.860 -18.090 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.323 1.963 -19.603 1.00 0.00 H new ATOM 534 N ASN A 74 0.555 5.608 -18.763 1.00 0.00 N ATOM 535 CA ASN A 74 -0.268 6.827 -19.036 1.00 0.00 C ATOM 536 C ASN A 74 -1.377 6.551 -20.059 1.00 0.00 C ATOM 537 O ASN A 74 -2.547 6.529 -19.733 1.00 0.00 O ATOM 538 CB ASN A 74 0.651 7.899 -19.612 1.00 0.00 C ATOM 539 CG ASN A 74 1.436 8.565 -18.481 1.00 0.00 C ATOM 540 OD1 ASN A 74 2.218 7.924 -17.809 1.00 0.00 O ATOM 541 ND2 ASN A 74 1.257 9.835 -18.239 1.00 0.00 N ATOM 0 H ASN A 74 1.553 5.738 -18.927 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.733 7.143 -18.102 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.338 7.454 -20.332 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.065 8.644 -20.149 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.774 10.288 -17.486 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.600 10.374 -18.803 1.00 0.00 H new ATOM 542 N SER A 75 -1.021 6.379 -21.305 1.00 0.00 N ATOM 543 CA SER A 75 -2.056 6.142 -22.354 1.00 0.00 C ATOM 544 C SER A 75 -2.470 4.669 -22.364 1.00 0.00 C ATOM 545 O SER A 75 -2.642 4.069 -23.407 1.00 0.00 O ATOM 546 CB SER A 75 -1.488 6.519 -23.723 1.00 0.00 C ATOM 547 OG SER A 75 -2.492 7.182 -24.480 1.00 0.00 O ATOM 0 H SER A 75 -0.058 6.392 -21.642 1.00 0.00 H new ATOM 0 HA SER A 75 -2.930 6.755 -22.135 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.619 7.166 -23.604 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.150 5.626 -24.248 1.00 0.00 H new ATOM 0 HG SER A 75 -2.132 7.427 -25.358 1.00 0.00 H new ATOM 548 N LYS A 76 -2.627 4.081 -21.212 1.00 0.00 N ATOM 549 CA LYS A 76 -3.022 2.652 -21.147 1.00 0.00 C ATOM 550 C LYS A 76 -4.194 2.487 -20.174 1.00 0.00 C ATOM 551 O LYS A 76 -4.815 1.443 -20.116 1.00 0.00 O ATOM 552 CB LYS A 76 -1.833 1.837 -20.652 1.00 0.00 C ATOM 553 CG LYS A 76 -0.687 1.928 -21.674 1.00 0.00 C ATOM 554 CD LYS A 76 0.096 3.240 -21.493 1.00 0.00 C ATOM 555 CE LYS A 76 0.424 3.829 -22.866 1.00 0.00 C ATOM 556 NZ LYS A 76 1.903 3.881 -23.045 1.00 0.00 N ATOM 0 H LYS A 76 -2.497 4.534 -20.308 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.326 2.306 -22.135 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.501 2.210 -19.683 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.126 0.797 -20.510 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.016 1.078 -21.553 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.089 1.875 -22.686 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.492 3.950 -20.911 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.014 3.055 -20.936 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.027 3.222 -23.651 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.001 4.830 -22.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.126 4.281 -23.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.322 4.478 -22.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.295 2.920 -22.978 1.00 0.00 H new ATOM 557 N ASN A 77 -4.497 3.509 -19.413 1.00 0.00 N ATOM 558 CA ASN A 77 -5.617 3.429 -18.452 1.00 0.00 C ATOM 559 C ASN A 77 -5.160 2.757 -17.162 1.00 0.00 C ATOM 560 O ASN A 77 -5.972 2.271 -16.408 1.00 0.00 O ATOM 561 CB ASN A 77 -6.783 2.647 -19.057 1.00 0.00 C ATOM 562 CG ASN A 77 -6.951 3.038 -20.525 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.727 4.174 -20.894 1.00 0.00 O ATOM 564 ND2 ASN A 77 -7.339 2.137 -21.386 1.00 0.00 N ATOM 0 H ASN A 77 -4.004 4.402 -19.424 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.950 4.442 -18.227 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.599 1.576 -18.974 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.700 2.857 -18.506 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.454 2.386 -22.368 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.527 1.183 -21.077 1.00 0.00 H new ATOM 565 N THR A 78 -3.883 2.739 -16.857 1.00 0.00 N ATOM 566 CA THR A 78 -3.495 2.110 -15.566 1.00 0.00 C ATOM 567 C THR A 78 -1.993 2.171 -15.343 1.00 0.00 C ATOM 568 O THR A 78 -1.227 2.445 -16.238 1.00 0.00 O ATOM 569 CB THR A 78 -3.946 0.655 -15.577 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.406 -0.018 -14.449 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.462 -0.016 -16.862 1.00 0.00 C ATOM 0 H THR A 78 -3.124 3.117 -17.424 1.00 0.00 H new ATOM 0 HA THR A 78 -3.975 2.658 -14.755 1.00 0.00 H new ATOM 0 HB THR A 78 -5.034 0.609 -15.534 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.698 -0.954 -14.456 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.784 -1.057 -16.872 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.883 0.502 -17.724 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.374 0.028 -16.908 1.00 0.00 H new ATOM 572 N LEU A 79 -1.578 1.890 -14.137 1.00 0.00 N ATOM 573 CA LEU A 79 -0.130 1.895 -13.813 1.00 0.00 C ATOM 574 C LEU A 79 0.193 0.570 -13.127 1.00 0.00 C ATOM 575 O LEU A 79 -0.684 -0.085 -12.638 1.00 0.00 O ATOM 576 CB LEU A 79 0.207 3.077 -12.893 1.00 0.00 C ATOM 577 CG LEU A 79 -0.759 3.108 -11.714 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.070 3.743 -10.502 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.993 3.929 -12.088 1.00 0.00 C ATOM 0 H LEU A 79 -2.191 1.655 -13.356 1.00 0.00 H new ATOM 0 HA LEU A 79 0.465 2.006 -14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.232 2.988 -12.533 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.145 4.012 -13.450 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.061 2.090 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.762 3.764 -9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.809 3.157 -10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.234 4.761 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.684 3.952 -11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.691 4.946 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.485 3.475 -12.949 1.00 0.00 H new ATOM 580 N TYR A 80 1.420 0.133 -13.125 1.00 0.00 N ATOM 581 CA TYR A 80 1.705 -1.195 -12.506 1.00 0.00 C ATOM 582 C TYR A 80 2.743 -1.079 -11.389 1.00 0.00 C ATOM 583 O TYR A 80 3.325 -0.035 -11.166 1.00 0.00 O ATOM 584 CB TYR A 80 2.224 -2.148 -13.582 1.00 0.00 C ATOM 585 CG TYR A 80 1.189 -2.305 -14.676 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.699 -1.184 -15.361 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.732 -3.580 -15.014 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.242 -1.342 -16.383 1.00 0.00 C ATOM 589 CE2 TYR A 80 -0.214 -3.741 -16.034 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.701 -2.621 -16.719 1.00 0.00 C ATOM 591 OH TYR A 80 -1.629 -2.777 -17.728 1.00 0.00 O ATOM 0 H TYR A 80 2.224 0.624 -13.516 1.00 0.00 H new ATOM 0 HA TYR A 80 0.781 -1.577 -12.072 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.154 -1.764 -14.002 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.450 -3.119 -13.141 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.049 -0.197 -15.099 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.109 -4.444 -14.488 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.614 -0.478 -16.913 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.568 -4.728 -16.292 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.840 -3.728 -17.835 1.00 0.00 H new ATOM 592 N LEU A 81 2.970 -2.157 -10.683 1.00 0.00 N ATOM 593 CA LEU A 81 3.962 -2.134 -9.568 1.00 0.00 C ATOM 594 C LEU A 81 4.864 -3.357 -9.626 1.00 0.00 C ATOM 595 O LEU A 81 4.400 -4.480 -9.575 1.00 0.00 O ATOM 596 CB LEU A 81 3.249 -2.236 -8.219 1.00 0.00 C ATOM 597 CG LEU A 81 2.728 -0.890 -7.758 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.551 -0.919 -6.231 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.706 0.220 -8.086 1.00 0.00 C ATOM 0 H LEU A 81 2.509 -3.055 -10.832 1.00 0.00 H new ATOM 0 HA LEU A 81 4.525 -1.206 -9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.420 -2.940 -8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.936 -2.635 -7.473 1.00 0.00 H new ATOM 0 HG LEU A 81 1.784 -0.701 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.176 0.046 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.840 -1.700 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.511 -1.123 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.303 1.173 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.656 0.027 -7.588 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.863 0.260 -9.164 1.00 0.00 H new ATOM 600 N GLN A 82 6.144 -3.157 -9.626 1.00 0.00 N ATOM 601 CA GLN A 82 7.058 -4.318 -9.562 1.00 0.00 C ATOM 602 C GLN A 82 7.540 -4.347 -8.113 1.00 0.00 C ATOM 603 O GLN A 82 8.322 -3.507 -7.697 1.00 0.00 O ATOM 604 CB GLN A 82 8.233 -4.148 -10.531 1.00 0.00 C ATOM 605 CG GLN A 82 7.718 -3.582 -11.858 1.00 0.00 C ATOM 606 CD GLN A 82 8.533 -4.161 -13.017 1.00 0.00 C ATOM 607 OE1 GLN A 82 8.845 -5.335 -13.028 1.00 0.00 O ATOM 608 NE2 GLN A 82 8.890 -3.381 -14.001 1.00 0.00 N ATOM 0 H GLN A 82 6.596 -2.243 -9.667 1.00 0.00 H new ATOM 0 HA GLN A 82 6.566 -5.247 -9.851 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.979 -3.479 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.723 -5.107 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.663 -3.827 -11.984 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.794 -2.495 -11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.628 -2.395 -13.991 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.431 -3.757 -14.779 1.00 0.00 H new ATOM 609 N MET A 83 7.030 -5.252 -7.314 1.00 0.00 N ATOM 610 CA MET A 83 7.427 -5.254 -5.876 1.00 0.00 C ATOM 611 C MET A 83 8.026 -6.606 -5.488 1.00 0.00 C ATOM 612 O MET A 83 7.382 -7.633 -5.575 1.00 0.00 O ATOM 613 CB MET A 83 6.198 -4.957 -4.989 1.00 0.00 C ATOM 614 CG MET A 83 4.904 -5.087 -5.801 1.00 0.00 C ATOM 615 SD MET A 83 3.504 -5.284 -4.669 1.00 0.00 S ATOM 616 CE MET A 83 2.343 -4.206 -5.548 1.00 0.00 C ATOM 0 H MET A 83 6.368 -5.977 -7.591 1.00 0.00 H new ATOM 0 HA MET A 83 8.179 -4.479 -5.724 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.176 -5.647 -4.146 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.275 -3.951 -4.576 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.762 -4.204 -6.424 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.967 -5.943 -6.472 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.983 -3.430 -4.872 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.847 -3.743 -6.396 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.499 -4.795 -5.906 1.00 0.00 H new ATOM 617 N ASN A 84 9.258 -6.608 -5.054 1.00 0.00 N ATOM 618 CA ASN A 84 9.909 -7.885 -4.652 1.00 0.00 C ATOM 619 C ASN A 84 10.253 -7.849 -3.155 1.00 0.00 C ATOM 620 O ASN A 84 9.695 -7.081 -2.398 1.00 0.00 O ATOM 621 CB ASN A 84 11.180 -8.085 -5.483 1.00 0.00 C ATOM 622 CG ASN A 84 12.057 -6.835 -5.391 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.464 -6.442 -4.316 1.00 0.00 O ATOM 624 ND2 ASN A 84 12.368 -6.189 -6.482 1.00 0.00 N ATOM 0 H ASN A 84 9.842 -5.777 -4.961 1.00 0.00 H new ATOM 0 HA ASN A 84 9.227 -8.716 -4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.730 -8.954 -5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.919 -8.283 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.953 -5.355 -6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.026 -6.519 -7.385 1.00 0.00 H new ATOM 625 N SER A 85 11.157 -8.685 -2.721 1.00 0.00 N ATOM 626 CA SER A 85 11.529 -8.714 -1.278 1.00 0.00 C ATOM 627 C SER A 85 10.383 -9.320 -0.451 1.00 0.00 C ATOM 628 O SER A 85 10.472 -9.428 0.755 1.00 0.00 O ATOM 629 CB SER A 85 11.826 -7.289 -0.800 1.00 0.00 C ATOM 630 OG SER A 85 11.084 -7.016 0.382 1.00 0.00 O ATOM 0 H SER A 85 11.657 -9.353 -3.308 1.00 0.00 H new ATOM 0 HA SER A 85 12.418 -9.331 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.893 -7.175 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.565 -6.572 -1.579 1.00 0.00 H new ATOM 0 HG SER A 85 11.277 -6.105 0.686 1.00 0.00 H new ATOM 631 N LEU A 86 9.312 -9.726 -1.087 1.00 0.00 N ATOM 632 CA LEU A 86 8.175 -10.334 -0.331 1.00 0.00 C ATOM 633 C LEU A 86 8.546 -11.762 0.068 1.00 0.00 C ATOM 634 O LEU A 86 9.612 -12.242 -0.268 1.00 0.00 O ATOM 635 CB LEU A 86 6.936 -10.361 -1.225 1.00 0.00 C ATOM 636 CG LEU A 86 6.125 -9.084 -1.008 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.437 -8.088 -2.124 1.00 0.00 C ATOM 638 CD2 LEU A 86 4.632 -9.421 -1.026 1.00 0.00 C ATOM 0 H LEU A 86 9.176 -9.663 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 86 7.967 -9.746 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.231 -10.444 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.327 -11.235 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 86 6.387 -8.644 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.859 -7.177 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.501 -7.850 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.174 -8.526 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.052 -8.511 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.370 -9.860 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.410 -10.133 -0.231 1.00 0.00 H new ATOM 639 N ARG A 87 7.696 -12.461 0.782 1.00 0.00 N ATOM 640 CA ARG A 87 8.063 -13.849 1.170 1.00 0.00 C ATOM 641 C ARG A 87 6.839 -14.648 1.599 1.00 0.00 C ATOM 642 O ARG A 87 5.878 -14.115 2.109 1.00 0.00 O ATOM 643 CB ARG A 87 9.079 -13.804 2.321 1.00 0.00 C ATOM 644 CG ARG A 87 8.374 -13.540 3.660 1.00 0.00 C ATOM 645 CD ARG A 87 8.759 -12.153 4.179 1.00 0.00 C ATOM 646 NE ARG A 87 10.243 -12.047 4.264 1.00 0.00 N ATOM 647 CZ ARG A 87 10.868 -11.104 3.612 1.00 0.00 C ATOM 648 NH1 ARG A 87 10.691 -9.855 3.944 1.00 0.00 N ATOM 649 NH2 ARG A 87 11.669 -11.412 2.630 1.00 0.00 N ATOM 0 H ARG A 87 6.785 -12.135 1.104 1.00 0.00 H new ATOM 0 HA ARG A 87 8.501 -14.343 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.622 -14.748 2.370 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.815 -13.023 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.293 -13.604 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.655 -14.302 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.366 -11.383 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.315 -11.984 5.160 1.00 0.00 H new ATOM 0 HE ARG A 87 10.770 -12.711 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.065 -9.615 4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.179 -9.118 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.807 -12.389 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.158 -10.676 2.120 1.00 0.00 H new ATOM 650 N ALA A 88 6.893 -15.938 1.404 1.00 0.00 N ATOM 651 CA ALA A 88 5.764 -16.825 1.808 1.00 0.00 C ATOM 652 C ALA A 88 5.389 -16.522 3.248 1.00 0.00 C ATOM 653 O ALA A 88 4.298 -16.806 3.700 1.00 0.00 O ATOM 654 CB ALA A 88 6.218 -18.276 1.707 1.00 0.00 C ATOM 0 H ALA A 88 7.683 -16.421 0.976 1.00 0.00 H new ATOM 0 HA ALA A 88 4.905 -16.657 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.400 -18.934 2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.510 -18.495 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.069 -18.438 2.369 1.00 0.00 H new ATOM 655 N GLU A 89 6.302 -15.956 3.972 1.00 0.00 N ATOM 656 CA GLU A 89 6.045 -15.636 5.389 1.00 0.00 C ATOM 657 C GLU A 89 5.259 -14.322 5.509 1.00 0.00 C ATOM 658 O GLU A 89 5.257 -13.698 6.551 1.00 0.00 O ATOM 659 CB GLU A 89 7.397 -15.502 6.087 1.00 0.00 C ATOM 660 CG GLU A 89 7.457 -16.461 7.276 1.00 0.00 C ATOM 661 CD GLU A 89 7.770 -15.679 8.553 1.00 0.00 C ATOM 662 OE1 GLU A 89 7.227 -14.597 8.708 1.00 0.00 O ATOM 663 OE2 GLU A 89 8.546 -16.174 9.354 1.00 0.00 O ATOM 0 H GLU A 89 7.229 -15.698 3.635 1.00 0.00 H new ATOM 0 HA GLU A 89 5.451 -16.424 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.203 -15.724 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.543 -14.476 6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.507 -16.984 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.221 -17.219 7.106 1.00 0.00 H new ATOM 664 N ASP A 90 4.581 -13.886 4.469 1.00 0.00 N ATOM 665 CA ASP A 90 3.814 -12.616 4.596 1.00 0.00 C ATOM 666 C ASP A 90 3.029 -12.292 3.315 1.00 0.00 C ATOM 667 O ASP A 90 3.162 -11.216 2.767 1.00 0.00 O ATOM 668 CB ASP A 90 4.779 -11.469 4.893 1.00 0.00 C ATOM 669 CG ASP A 90 4.776 -11.180 6.395 1.00 0.00 C ATOM 670 OD1 ASP A 90 3.780 -11.479 7.032 1.00 0.00 O ATOM 671 OD2 ASP A 90 5.769 -10.665 6.882 1.00 0.00 O ATOM 0 H ASP A 90 4.529 -14.347 3.561 1.00 0.00 H new ATOM 0 HA ASP A 90 3.099 -12.738 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.785 -11.730 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.484 -10.578 4.339 1.00 0.00 H new ATOM 672 N THR A 91 2.183 -13.183 2.854 1.00 0.00 N ATOM 673 CA THR A 91 1.368 -12.870 1.640 1.00 0.00 C ATOM 674 C THR A 91 0.799 -11.460 1.834 1.00 0.00 C ATOM 675 O THR A 91 0.687 -10.999 2.952 1.00 0.00 O ATOM 676 CB THR A 91 0.232 -13.895 1.526 1.00 0.00 C ATOM 677 OG1 THR A 91 0.785 -15.179 1.267 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.720 -13.512 0.390 1.00 0.00 C ATOM 0 H THR A 91 2.023 -14.104 3.262 1.00 0.00 H new ATOM 0 HA THR A 91 1.965 -12.915 0.729 1.00 0.00 H new ATOM 0 HB THR A 91 -0.327 -13.912 2.462 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.063 -15.838 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.520 -14.249 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.147 -12.529 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.171 -13.485 -0.551 1.00 0.00 H new ATOM 679 N ALA A 92 0.475 -10.736 0.792 1.00 0.00 N ATOM 680 CA ALA A 92 -0.028 -9.350 1.042 1.00 0.00 C ATOM 681 C ALA A 92 -1.287 -9.026 0.234 1.00 0.00 C ATOM 682 O ALA A 92 -1.668 -9.733 -0.673 1.00 0.00 O ATOM 683 CB ALA A 92 1.069 -8.350 0.680 1.00 0.00 C ATOM 0 H ALA A 92 0.533 -11.028 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.291 -9.281 2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.711 -7.336 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.950 -8.538 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.330 -8.462 -0.372 1.00 0.00 H new ATOM 684 N VAL A 93 -1.915 -7.928 0.574 1.00 0.00 N ATOM 685 CA VAL A 93 -3.146 -7.478 -0.136 1.00 0.00 C ATOM 686 C VAL A 93 -3.031 -5.959 -0.338 1.00 0.00 C ATOM 687 O VAL A 93 -2.602 -5.248 0.547 1.00 0.00 O ATOM 688 CB VAL A 93 -4.375 -7.826 0.704 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.643 -7.400 -0.036 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.415 -9.337 0.938 1.00 0.00 C ATOM 0 H VAL A 93 -1.617 -7.313 1.331 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.250 -7.973 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.319 -7.304 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.517 -7.650 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.618 -6.324 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.699 -7.922 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.290 -9.589 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.470 -9.852 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.513 -9.648 1.465 1.00 0.00 H new ATOM 691 N TYR A 94 -3.361 -5.458 -1.499 1.00 0.00 N ATOM 692 CA TYR A 94 -3.203 -3.989 -1.751 1.00 0.00 C ATOM 693 C TYR A 94 -4.530 -3.345 -2.192 1.00 0.00 C ATOM 694 O TYR A 94 -5.395 -3.994 -2.739 1.00 0.00 O ATOM 695 CB TYR A 94 -2.181 -3.800 -2.881 1.00 0.00 C ATOM 696 CG TYR A 94 -0.981 -4.685 -2.682 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.501 -4.951 -1.397 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.335 -5.215 -3.797 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.629 -5.748 -1.225 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.801 -6.016 -3.629 1.00 0.00 C ATOM 701 CZ TYR A 94 1.284 -6.282 -2.340 1.00 0.00 C ATOM 702 OH TYR A 94 2.405 -7.069 -2.170 1.00 0.00 O ATOM 0 H TYR A 94 -3.732 -5.996 -2.282 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.876 -3.514 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.648 -4.026 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.865 -2.757 -2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.006 -4.538 -0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.710 -5.008 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.999 -5.953 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.304 -6.428 -4.491 1.00 0.00 H new ATOM 0 HH TYR A 94 3.124 -6.744 -2.752 1.00 0.00 H new ATOM 703 N TYR A 95 -4.677 -2.055 -1.987 1.00 0.00 N ATOM 704 CA TYR A 95 -5.923 -1.356 -2.424 1.00 0.00 C ATOM 705 C TYR A 95 -5.536 -0.011 -3.025 1.00 0.00 C ATOM 706 O TYR A 95 -5.010 0.851 -2.352 1.00 0.00 O ATOM 707 CB TYR A 95 -6.838 -1.126 -1.230 1.00 0.00 C ATOM 708 CG TYR A 95 -7.488 -2.426 -0.854 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.716 -3.428 -0.276 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.853 -2.630 -1.090 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.305 -4.647 0.075 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.445 -3.848 -0.739 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.670 -4.858 -0.156 1.00 0.00 C ATOM 714 OH TYR A 95 -9.250 -6.061 0.190 1.00 0.00 O ATOM 0 H TYR A 95 -3.984 -1.458 -1.535 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.447 -1.966 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.267 -0.733 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.597 -0.383 -1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.663 -3.265 -0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.447 -1.849 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.707 -5.426 0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.498 -4.009 -0.917 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.226 -6.168 1.164 1.00 0.00 H new ATOM 715 N CYS A 96 -5.769 0.171 -4.291 1.00 0.00 N ATOM 716 CA CYS A 96 -5.380 1.454 -4.932 1.00 0.00 C ATOM 717 C CYS A 96 -5.942 2.644 -4.160 1.00 0.00 C ATOM 718 O CYS A 96 -6.696 2.483 -3.222 1.00 0.00 O ATOM 719 CB CYS A 96 -5.890 1.496 -6.364 1.00 0.00 C ATOM 720 SG CYS A 96 -4.999 0.290 -7.363 1.00 0.00 S ATOM 0 H CYS A 96 -6.210 -0.510 -4.909 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.292 1.517 -4.927 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.959 1.282 -6.386 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.757 2.495 -6.778 1.00 0.00 H new ATOM 721 N ALA A 97 -5.575 3.850 -4.538 1.00 0.00 N ATOM 722 CA ALA A 97 -6.103 5.023 -3.792 1.00 0.00 C ATOM 723 C ALA A 97 -5.618 6.349 -4.395 1.00 0.00 C ATOM 724 O ALA A 97 -4.596 6.428 -5.040 1.00 0.00 O ATOM 725 CB ALA A 97 -5.623 4.934 -2.348 1.00 0.00 C ATOM 0 H ALA A 97 -4.947 4.062 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.191 5.005 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.001 5.788 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.991 4.011 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.533 4.939 -2.326 1.00 0.00 H new ATOM 726 N ARG A 98 -6.365 7.391 -4.156 1.00 0.00 N ATOM 727 CA ARG A 98 -5.993 8.761 -4.665 1.00 0.00 C ATOM 728 C ARG A 98 -5.341 9.574 -3.539 1.00 0.00 C ATOM 729 O ARG A 98 -5.372 9.191 -2.387 1.00 0.00 O ATOM 730 CB ARG A 98 -7.246 9.530 -5.114 1.00 0.00 C ATOM 731 CG ARG A 98 -8.499 8.928 -4.466 1.00 0.00 C ATOM 732 CD ARG A 98 -8.354 8.970 -2.940 1.00 0.00 C ATOM 733 NE ARG A 98 -9.191 7.902 -2.321 1.00 0.00 N ATOM 734 CZ ARG A 98 -9.509 7.973 -1.058 1.00 0.00 C ATOM 735 NH1 ARG A 98 -8.614 8.338 -0.181 1.00 0.00 N ATOM 736 NH2 ARG A 98 -10.715 7.666 -0.667 1.00 0.00 N ATOM 0 H ARG A 98 -7.233 7.360 -3.622 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.308 8.630 -5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.155 10.581 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.335 9.492 -6.200 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.384 9.485 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.637 7.900 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.309 8.833 -2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.658 9.947 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.515 7.116 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.667 8.567 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.861 8.394 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.412 7.369 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.961 7.723 0.321 1.00 0.00 H new ATOM 737 N LEU A 99 -4.768 10.707 -3.864 1.00 0.00 N ATOM 738 CA LEU A 99 -4.139 11.568 -2.813 1.00 0.00 C ATOM 739 C LEU A 99 -3.359 12.719 -3.458 1.00 0.00 C ATOM 740 O LEU A 99 -2.273 12.548 -3.968 1.00 0.00 O ATOM 741 CB LEU A 99 -3.218 10.749 -1.884 1.00 0.00 C ATOM 742 CG LEU A 99 -2.049 10.077 -2.631 1.00 0.00 C ATOM 743 CD1 LEU A 99 -2.399 9.772 -4.090 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.825 10.991 -2.584 1.00 0.00 C ATOM 0 H LEU A 99 -4.708 11.074 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.941 11.983 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.818 11.404 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.808 9.983 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.838 9.130 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.546 9.299 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.256 9.100 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.644 10.700 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.003 10.518 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.063 11.942 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.541 11.166 -1.546 1.00 0.00 H new ATOM 745 N LYS A 100 -3.911 13.905 -3.424 1.00 0.00 N ATOM 746 CA LYS A 100 -3.201 15.074 -4.026 1.00 0.00 C ATOM 747 C LYS A 100 -4.129 16.297 -4.121 1.00 0.00 C ATOM 748 O LYS A 100 -3.665 17.399 -4.335 1.00 0.00 O ATOM 749 CB LYS A 100 -2.719 14.709 -5.432 1.00 0.00 C ATOM 750 CG LYS A 100 -3.858 14.041 -6.201 1.00 0.00 C ATOM 751 CD LYS A 100 -4.841 15.107 -6.685 1.00 0.00 C ATOM 752 CE LYS A 100 -4.992 15.027 -8.207 1.00 0.00 C ATOM 753 NZ LYS A 100 -3.874 15.769 -8.857 1.00 0.00 N ATOM 0 H LYS A 100 -4.818 14.114 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.355 15.324 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.386 15.604 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.863 14.037 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.461 13.485 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.370 13.322 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.810 14.964 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.487 16.097 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.988 13.986 -8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.949 15.451 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.145 16.024 -9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.670 16.634 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.026 15.168 -8.881 1.00 0.00 H new ATOM 754 N LYS A 101 -5.427 16.109 -3.986 1.00 0.00 N ATOM 755 CA LYS A 101 -6.395 17.252 -4.084 1.00 0.00 C ATOM 756 C LYS A 101 -6.921 17.329 -5.515 1.00 0.00 C ATOM 757 O LYS A 101 -6.167 17.290 -6.465 1.00 0.00 O ATOM 758 CB LYS A 101 -5.732 18.578 -3.695 1.00 0.00 C ATOM 759 CG LYS A 101 -6.778 19.513 -3.084 1.00 0.00 C ATOM 760 CD LYS A 101 -6.527 19.647 -1.581 1.00 0.00 C ATOM 761 CE LYS A 101 -7.224 20.904 -1.057 1.00 0.00 C ATOM 762 NZ LYS A 101 -6.849 21.122 0.368 1.00 0.00 N ATOM 0 H LYS A 101 -5.859 15.202 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.218 17.079 -3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.928 18.399 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.282 19.043 -4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.728 20.492 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.780 19.122 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.902 18.766 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.456 19.703 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.937 21.768 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.305 20.798 -1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.323 21.976 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.144 20.301 0.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.818 21.241 0.441 1.00 0.00 H new ATOM 763 N TYR A 102 -8.221 17.380 -5.666 1.00 0.00 N ATOM 764 CA TYR A 102 -8.843 17.394 -7.025 1.00 0.00 C ATOM 765 C TYR A 102 -8.986 15.943 -7.488 1.00 0.00 C ATOM 766 O TYR A 102 -9.729 15.633 -8.398 1.00 0.00 O ATOM 767 CB TYR A 102 -7.985 18.172 -8.028 1.00 0.00 C ATOM 768 CG TYR A 102 -8.780 18.370 -9.297 1.00 0.00 C ATOM 769 CD1 TYR A 102 -8.942 17.306 -10.192 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.360 19.613 -9.574 1.00 0.00 C ATOM 771 CE1 TYR A 102 -9.684 17.484 -11.366 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.103 19.792 -10.748 1.00 0.00 C ATOM 773 CZ TYR A 102 -10.266 18.727 -11.644 1.00 0.00 C ATOM 774 OH TYR A 102 -11.000 18.904 -12.800 1.00 0.00 O ATOM 0 H TYR A 102 -8.887 17.413 -4.894 1.00 0.00 H new ATOM 0 HA TYR A 102 -9.813 17.889 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.696 19.136 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.065 17.627 -8.240 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.494 16.347 -9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.235 20.434 -8.883 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.807 16.663 -12.057 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.550 20.751 -10.963 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.334 19.824 -12.838 1.00 0.00 H new ATOM 775 N ALA A 103 -8.280 15.050 -6.843 1.00 0.00 N ATOM 776 CA ALA A 103 -8.351 13.614 -7.191 1.00 0.00 C ATOM 777 C ALA A 103 -8.332 12.823 -5.888 1.00 0.00 C ATOM 778 O ALA A 103 -7.285 12.512 -5.360 1.00 0.00 O ATOM 779 CB ALA A 103 -7.135 13.232 -8.028 1.00 0.00 C ATOM 0 H ALA A 103 -7.646 15.269 -6.074 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.255 13.402 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.188 12.174 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.121 13.826 -8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.226 13.422 -7.457 1.00 0.00 H new ATOM 780 N PHE A 104 -9.477 12.517 -5.356 1.00 0.00 N ATOM 781 CA PHE A 104 -9.524 11.763 -4.076 1.00 0.00 C ATOM 782 C PHE A 104 -10.894 11.072 -3.957 1.00 0.00 C ATOM 783 O PHE A 104 -11.789 11.343 -4.729 1.00 0.00 O ATOM 784 CB PHE A 104 -9.328 12.735 -2.926 1.00 0.00 C ATOM 785 CG PHE A 104 -8.628 12.039 -1.784 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.259 11.760 -1.874 1.00 0.00 C ATOM 787 CD2 PHE A 104 -9.344 11.661 -0.642 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.606 11.102 -0.823 1.00 0.00 C ATOM 789 CE2 PHE A 104 -8.690 11.004 0.410 1.00 0.00 C ATOM 790 CZ PHE A 104 -7.320 10.727 0.318 1.00 0.00 C ATOM 0 H PHE A 104 -10.386 12.757 -5.752 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.737 11.009 -4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.741 13.591 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.292 13.119 -2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.706 12.052 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -10.400 11.875 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.551 10.885 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -9.242 10.712 1.291 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.815 10.223 1.129 1.00 0.00 H new ATOM 791 N ASP A 105 -11.081 10.197 -3.002 1.00 0.00 N ATOM 792 CA ASP A 105 -12.402 9.521 -2.856 1.00 0.00 C ATOM 793 C ASP A 105 -12.557 8.417 -3.909 1.00 0.00 C ATOM 794 O ASP A 105 -13.651 8.113 -4.339 1.00 0.00 O ATOM 795 CB ASP A 105 -13.521 10.552 -3.030 1.00 0.00 C ATOM 796 CG ASP A 105 -14.739 10.131 -2.206 1.00 0.00 C ATOM 797 OD1 ASP A 105 -15.022 8.945 -2.170 1.00 0.00 O ATOM 798 OD2 ASP A 105 -15.366 11.001 -1.626 1.00 0.00 O ATOM 0 H ASP A 105 -10.376 9.923 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.462 9.072 -1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.176 11.536 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.792 10.635 -4.082 1.00 0.00 H new ATOM 799 N TYR A 106 -11.479 7.808 -4.331 1.00 0.00 N ATOM 800 CA TYR A 106 -11.598 6.724 -5.353 1.00 0.00 C ATOM 801 C TYR A 106 -10.843 5.465 -4.910 1.00 0.00 C ATOM 802 O TYR A 106 -10.442 5.327 -3.773 1.00 0.00 O ATOM 803 CB TYR A 106 -11.019 7.186 -6.689 1.00 0.00 C ATOM 804 CG TYR A 106 -11.276 8.652 -6.881 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.586 9.138 -6.901 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.199 9.523 -7.052 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.819 10.508 -7.093 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.425 10.886 -7.245 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.737 11.383 -7.267 1.00 0.00 C ATOM 810 OH TYR A 106 -11.962 12.731 -7.456 1.00 0.00 O ATOM 0 H TYR A 106 -10.530 8.011 -4.016 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.658 6.494 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.947 6.990 -6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.469 6.620 -7.505 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.417 8.461 -6.769 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.189 9.141 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.830 10.888 -7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.590 11.558 -7.377 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.785 12.993 -6.994 1.00 0.00 H new ATOM 811 N TRP A 107 -10.667 4.553 -5.830 1.00 0.00 N ATOM 812 CA TRP A 107 -9.959 3.259 -5.551 1.00 0.00 C ATOM 813 C TRP A 107 -10.572 2.578 -4.324 1.00 0.00 C ATOM 814 O TRP A 107 -10.571 3.112 -3.234 1.00 0.00 O ATOM 815 CB TRP A 107 -8.461 3.472 -5.324 1.00 0.00 C ATOM 816 CG TRP A 107 -7.979 4.665 -6.084 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.162 5.921 -5.680 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.254 4.747 -7.351 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.578 6.790 -6.574 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.006 6.114 -7.635 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.784 3.789 -8.269 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.316 6.507 -8.788 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.095 4.188 -9.428 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.863 5.542 -9.686 1.00 0.00 C ATOM 0 H TRP A 107 -10.993 4.651 -6.792 1.00 0.00 H new ATOM 0 HA TRP A 107 -10.082 2.621 -6.426 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.264 3.608 -4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.910 2.586 -5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.690 6.214 -4.785 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.569 7.804 -6.467 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.954 2.739 -8.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.135 7.554 -8.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.742 3.442 -10.125 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.334 5.840 -10.579 1.00 0.00 H new ATOM 825 N GLY A 108 -11.097 1.394 -4.490 1.00 0.00 N ATOM 826 CA GLY A 108 -11.708 0.687 -3.331 1.00 0.00 C ATOM 827 C GLY A 108 -12.148 -0.719 -3.750 1.00 0.00 C ATOM 828 O GLY A 108 -13.324 -1.003 -3.863 1.00 0.00 O ATOM 0 H GLY A 108 -11.129 0.888 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.990 0.624 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.565 1.250 -2.961 1.00 0.00 H new ATOM 829 N GLN A 109 -11.214 -1.603 -3.974 1.00 0.00 N ATOM 830 CA GLN A 109 -11.578 -2.992 -4.376 1.00 0.00 C ATOM 831 C GLN A 109 -10.685 -3.984 -3.626 1.00 0.00 C ATOM 832 O GLN A 109 -11.148 -4.764 -2.819 1.00 0.00 O ATOM 833 CB GLN A 109 -11.380 -3.159 -5.885 1.00 0.00 C ATOM 834 CG GLN A 109 -12.733 -3.401 -6.561 1.00 0.00 C ATOM 835 CD GLN A 109 -13.758 -2.390 -6.042 1.00 0.00 C ATOM 836 OE1 GLN A 109 -13.582 -1.120 -6.283 1.00 0.00 O flip ATOM 837 NE2 GLN A 109 -14.727 -2.762 -5.409 1.00 0.00 N flip ATOM 0 H GLN A 109 -10.213 -1.423 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.622 -3.183 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.910 -2.268 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.709 -3.995 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -12.632 -3.308 -7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -13.075 -4.416 -6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -14.863 -3.755 -5.222 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.404 -2.081 -5.065 1.00 0.00 H new ATOM 838 N GLY A 110 -9.402 -3.951 -3.879 1.00 0.00 N ATOM 839 CA GLY A 110 -8.477 -4.881 -3.170 1.00 0.00 C ATOM 840 C GLY A 110 -7.735 -5.767 -4.177 1.00 0.00 C ATOM 841 O GLY A 110 -8.249 -6.107 -5.224 1.00 0.00 O ATOM 0 H GLY A 110 -8.956 -3.320 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.760 -4.311 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.040 -5.503 -2.474 1.00 0.00 H new ATOM 842 N THR A 111 -6.531 -6.156 -3.848 1.00 0.00 N ATOM 843 CA THR A 111 -5.735 -7.035 -4.740 1.00 0.00 C ATOM 844 C THR A 111 -4.745 -7.765 -3.842 1.00 0.00 C ATOM 845 O THR A 111 -4.996 -7.916 -2.665 1.00 0.00 O ATOM 846 CB THR A 111 -4.993 -6.200 -5.785 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.478 -7.054 -6.795 1.00 0.00 O ATOM 848 CG2 THR A 111 -3.848 -5.453 -5.115 1.00 0.00 C ATOM 0 H THR A 111 -6.061 -5.894 -2.981 1.00 0.00 H new ATOM 0 HA THR A 111 -6.372 -7.736 -5.280 1.00 0.00 H new ATOM 0 HB THR A 111 -5.680 -5.483 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.004 -6.519 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.318 -4.857 -5.858 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.245 -4.797 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.160 -6.169 -4.666 1.00 0.00 H new ATOM 849 N LEU A 112 -3.629 -8.219 -4.341 1.00 0.00 N ATOM 850 CA LEU A 112 -2.704 -8.927 -3.418 1.00 0.00 C ATOM 851 C LEU A 112 -1.463 -9.449 -4.133 1.00 0.00 C ATOM 852 O LEU A 112 -1.138 -9.080 -5.244 1.00 0.00 O ATOM 853 CB LEU A 112 -3.447 -10.132 -2.861 1.00 0.00 C ATOM 854 CG LEU A 112 -3.698 -11.065 -4.032 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.701 -12.226 -3.972 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.131 -11.597 -3.967 1.00 0.00 C ATOM 0 H LEU A 112 -3.326 -8.135 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.388 -8.225 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.858 -10.628 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.386 -9.829 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.566 -10.525 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.876 -12.900 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.685 -11.836 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.832 -12.770 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.309 -12.267 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.275 -12.141 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.831 -10.763 -4.013 1.00 0.00 H new ATOM 857 N VAL A 113 -0.794 -10.338 -3.460 1.00 0.00 N ATOM 858 CA VAL A 113 0.428 -10.981 -3.989 1.00 0.00 C ATOM 859 C VAL A 113 0.518 -12.352 -3.326 1.00 0.00 C ATOM 860 O VAL A 113 0.646 -12.453 -2.114 1.00 0.00 O ATOM 861 CB VAL A 113 1.624 -10.135 -3.598 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.464 -8.752 -4.219 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.646 -10.009 -2.077 1.00 0.00 C ATOM 0 H VAL A 113 -1.059 -10.655 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 113 0.406 -11.078 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 113 2.551 -10.590 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.317 -8.130 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.413 -8.844 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.547 -8.292 -3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.500 -9.403 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.726 -9.534 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.728 -11.000 -1.631 1.00 0.00 H new ATOM 864 N THR A 114 0.410 -13.402 -4.092 1.00 0.00 N ATOM 865 CA THR A 114 0.444 -14.763 -3.488 1.00 0.00 C ATOM 866 C THR A 114 1.851 -15.352 -3.561 1.00 0.00 C ATOM 867 O THR A 114 2.314 -15.765 -4.604 1.00 0.00 O ATOM 868 CB THR A 114 -0.528 -15.676 -4.234 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.774 -15.011 -4.395 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.730 -16.957 -3.429 1.00 0.00 C ATOM 0 H THR A 114 0.300 -13.377 -5.106 1.00 0.00 H new ATOM 0 HA THR A 114 0.152 -14.686 -2.441 1.00 0.00 H new ATOM 0 HB THR A 114 -0.123 -15.922 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.397 -15.596 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.423 -17.613 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.227 -17.464 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.139 -16.710 -2.449 1.00 0.00 H new ATOM 871 N VAL A 115 2.527 -15.412 -2.453 1.00 0.00 N ATOM 872 CA VAL A 115 3.895 -15.992 -2.452 1.00 0.00 C ATOM 873 C VAL A 115 3.908 -17.290 -3.261 1.00 0.00 C ATOM 874 O VAL A 115 2.956 -18.044 -3.258 1.00 0.00 O ATOM 875 CB VAL A 115 4.314 -16.288 -1.019 1.00 0.00 C ATOM 876 CG1 VAL A 115 4.999 -15.050 -0.446 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.078 -16.633 -0.177 1.00 0.00 C ATOM 0 H VAL A 115 2.192 -15.085 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 115 4.589 -15.281 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 115 5.000 -17.135 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 115 5.305 -15.246 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.876 -14.809 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.305 -14.209 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.383 -16.844 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.387 -15.790 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.585 -17.510 -0.597 1.00 0.00 H new ATOM 878 N SER A 116 4.984 -17.556 -3.953 1.00 0.00 N ATOM 879 CA SER A 116 5.062 -18.806 -4.761 1.00 0.00 C ATOM 880 C SER A 116 6.280 -18.740 -5.687 1.00 0.00 C ATOM 881 O SER A 116 6.881 -17.699 -5.863 1.00 0.00 O ATOM 882 CB SER A 116 3.792 -18.954 -5.598 1.00 0.00 C ATOM 883 OG SER A 116 3.190 -20.212 -5.321 1.00 0.00 O ATOM 0 H SER A 116 5.812 -16.961 -3.993 1.00 0.00 H new ATOM 0 HA SER A 116 5.158 -19.663 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 116 3.096 -18.147 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 116 4.031 -18.878 -6.659 1.00 0.00 H new ATOM 0 HG SER A 116 2.374 -20.309 -5.855 1.00 0.00 H new ATOM 884 N SER A 117 6.648 -19.843 -6.279 1.00 0.00 N ATOM 885 CA SER A 117 7.827 -19.842 -7.191 1.00 0.00 C ATOM 886 C SER A 117 7.530 -18.971 -8.413 1.00 0.00 C ATOM 887 O SER A 117 8.470 -18.428 -8.971 1.00 0.00 O ATOM 888 CB SER A 117 8.121 -21.273 -7.645 1.00 0.00 C ATOM 889 OG SER A 117 9.521 -21.513 -7.565 1.00 0.00 O ATOM 890 OXT SER A 117 6.369 -18.862 -8.769 1.00 0.00 O ATOM 0 H SER A 117 6.184 -20.745 -6.171 1.00 0.00 H new ATOM 0 HA SER A 117 8.693 -19.442 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.582 -21.984 -7.018 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.773 -21.421 -8.667 1.00 0.00 H new ATOM 0 HG SER A 117 9.713 -22.430 -7.854 1.00 0.00 H new TER 891 SER A 117