USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot 60:sc= 0 USER MOD Set 2.1: A 20 SER OG : rot 100:sc= 1.05 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 13 LYS NZ :NH3+ 171:sc= 0.904 (180deg=0) USER MOD Set 3.2: A 112 ASN : amide:sc= 0.757 K(o=1.7,f=-3.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 127:sc= 0.613 USER MOD Single : A 27 GLN : amide:sc= -1.95 X(o=-1.9,f=-1.6) USER MOD Single : A 32 MET CE :methyl -156:sc= -0.175 (180deg=-0.888) USER MOD Single : A 33 ASN : amide:sc= -3.6! C(o=-3.6!,f=-7.7!) USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= 0.187 (180deg=0) USER MOD Single : A 37 SER OG : rot -65:sc= 0.823 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -10.8! C(o=-11!,f=-16!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -1.58! (180deg=-4.21!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0446 K(o=-0.045,f=-1.4!) USER MOD Single : A 66 HIS : no HD1:sc= -0.0807 X(o=-0.081,f=-0.087) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 40:sc= 0.447 USER MOD Single : A 74 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.4!) USER MOD Single : A 77 TYR OH : rot -31:sc= 0.146 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 89 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.41) USER MOD Single : A 93 GLN : amide:sc= -0.233 K(o=-0.23,f=-3.4!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 95 TYR OH : rot 167:sc= -0.0495 USER MOD Single : A 96 SER OG : rot 45:sc= 1.3 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.628) USER MOD Single : A 103 CYS SG : rot 155:sc= -1.97! USER MOD Single : A 104 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 110 CYS SG : rot -70:sc= -4.6! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.873 19.703 -29.681 1.00 0.00 N ATOM 2 CA GLY A 1 3.862 19.415 -28.669 1.00 0.00 C ATOM 3 C GLY A 1 2.557 18.866 -29.254 1.00 0.00 C ATOM 4 O GLY A 1 1.592 19.591 -29.449 1.00 0.00 O ATOM 0 H1 GLY A 1 5.730 20.071 -29.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.105 18.831 -30.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.506 20.413 -30.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.265 18.694 -27.958 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.647 20.326 -28.111 1.00 0.00 H new ATOM 10 N SER A 2 2.598 17.545 -29.524 1.00 0.00 N ATOM 11 CA SER A 2 1.440 16.848 -30.082 1.00 0.00 C ATOM 12 C SER A 2 1.579 15.342 -29.804 1.00 0.00 C ATOM 13 O SER A 2 2.661 14.770 -29.868 1.00 0.00 O ATOM 14 CB SER A 2 1.266 17.138 -31.585 1.00 0.00 C ATOM 15 OG SER A 2 2.608 16.801 -32.169 1.00 0.00 O ATOM 0 H SER A 2 3.413 16.953 -29.364 1.00 0.00 H new ATOM 0 HA SER A 2 0.537 17.217 -29.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.475 16.529 -32.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.001 18.180 -31.764 1.00 0.00 H new ATOM 0 HG SER A 2 2.592 16.955 -33.137 1.00 0.00 H new ATOM 21 N VAL A 3 0.405 14.764 -29.471 1.00 0.00 N ATOM 22 CA VAL A 3 0.293 13.342 -29.146 1.00 0.00 C ATOM 23 C VAL A 3 -0.129 12.512 -30.368 1.00 0.00 C ATOM 24 O VAL A 3 0.473 11.487 -30.665 1.00 0.00 O ATOM 25 CB VAL A 3 -0.678 13.137 -27.960 1.00 0.00 C ATOM 26 CG1 VAL A 3 -0.014 13.528 -26.630 1.00 0.00 C ATOM 27 CG2 VAL A 3 -2.049 13.835 -28.136 1.00 0.00 C ATOM 0 H VAL A 3 -0.479 15.271 -29.423 1.00 0.00 H new ATOM 0 HA VAL A 3 1.279 12.985 -28.847 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.900 12.070 -27.940 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.718 13.374 -25.813 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.869 12.910 -26.469 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.279 14.577 -26.664 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.670 13.642 -27.261 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.899 14.909 -28.245 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.544 13.446 -29.026 1.00 0.00 H new ATOM 37 N ALA A 4 -1.185 13.013 -31.053 1.00 0.00 N ATOM 38 CA ALA A 4 -1.732 12.331 -32.223 1.00 0.00 C ATOM 39 C ALA A 4 -2.292 10.950 -31.788 1.00 0.00 C ATOM 40 O ALA A 4 -1.664 9.922 -32.015 1.00 0.00 O ATOM 41 CB ALA A 4 -0.694 12.247 -33.365 1.00 0.00 C ATOM 0 H ALA A 4 -1.663 13.880 -30.809 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.560 12.907 -32.636 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.134 11.734 -34.220 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.396 13.253 -33.660 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.181 11.695 -33.022 1.00 0.00 H new ATOM 47 N PRO A 5 -3.501 10.963 -31.141 1.00 0.00 N ATOM 48 CA PRO A 5 -4.125 9.720 -30.684 1.00 0.00 C ATOM 49 C PRO A 5 -4.565 8.834 -31.869 1.00 0.00 C ATOM 50 O PRO A 5 -5.667 8.945 -32.389 1.00 0.00 O ATOM 51 CB PRO A 5 -5.345 10.166 -29.848 1.00 0.00 C ATOM 52 CG PRO A 5 -5.464 11.690 -29.986 1.00 0.00 C ATOM 53 CD PRO A 5 -4.276 12.163 -30.824 1.00 0.00 C ATOM 0 HA PRO A 5 -3.428 9.114 -30.105 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.252 9.677 -30.202 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.218 9.884 -28.803 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.405 11.960 -30.465 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.457 12.167 -29.006 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.614 12.661 -31.733 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.672 12.883 -30.272 1.00 0.00 H new ATOM 61 N VAL A 6 -3.622 7.935 -32.227 1.00 0.00 N ATOM 62 CA VAL A 6 -3.831 6.997 -33.324 1.00 0.00 C ATOM 63 C VAL A 6 -4.182 5.622 -32.756 1.00 0.00 C ATOM 64 O VAL A 6 -5.243 5.071 -33.023 1.00 0.00 O ATOM 65 CB VAL A 6 -2.611 6.955 -34.276 1.00 0.00 C ATOM 66 CG1 VAL A 6 -1.261 6.641 -33.595 1.00 0.00 C ATOM 67 CG2 VAL A 6 -2.868 6.008 -35.467 1.00 0.00 C ATOM 0 H VAL A 6 -2.716 7.848 -31.767 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.670 7.336 -33.932 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.507 7.976 -34.643 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.469 6.634 -34.344 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.045 7.403 -32.846 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.315 5.664 -33.114 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.995 5.998 -36.119 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.056 5.000 -35.097 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.736 6.356 -36.028 1.00 0.00 H new ATOM 77 N GLU A 7 -3.223 5.120 -31.953 1.00 0.00 N ATOM 78 CA GLU A 7 -3.373 3.813 -31.337 1.00 0.00 C ATOM 79 C GLU A 7 -2.263 3.581 -30.297 1.00 0.00 C ATOM 80 O GLU A 7 -1.084 3.759 -30.579 1.00 0.00 O ATOM 81 CB GLU A 7 -3.289 2.733 -32.431 1.00 0.00 C ATOM 82 CG GLU A 7 -3.945 1.417 -31.994 1.00 0.00 C ATOM 83 CD GLU A 7 -3.773 0.319 -33.056 1.00 0.00 C ATOM 84 OE1 GLU A 7 -2.637 0.050 -33.448 1.00 0.00 O ATOM 85 OE2 GLU A 7 -4.774 -0.258 -33.478 1.00 0.00 O ATOM 0 H GLU A 7 -2.353 5.602 -31.726 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.338 3.761 -30.833 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.775 3.096 -33.337 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.244 2.551 -32.681 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.506 1.086 -31.053 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.006 1.583 -31.810 1.00 0.00 H new ATOM 92 N THR A 8 -2.712 3.185 -29.087 1.00 0.00 N ATOM 93 CA THR A 8 -1.788 2.915 -27.982 1.00 0.00 C ATOM 94 C THR A 8 -2.452 2.035 -26.917 1.00 0.00 C ATOM 95 O THR A 8 -3.644 2.125 -26.653 1.00 0.00 O ATOM 96 CB THR A 8 -1.291 4.239 -27.345 1.00 0.00 C ATOM 97 OG1 THR A 8 0.000 4.112 -26.652 1.00 0.00 O ATOM 98 CG2 THR A 8 -2.499 5.010 -26.677 1.00 0.00 C ATOM 0 H THR A 8 -3.697 3.049 -28.859 1.00 0.00 H new ATOM 0 HA THR A 8 -0.930 2.380 -28.388 1.00 0.00 H new ATOM 0 HB THR A 8 -0.966 4.950 -28.104 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.256 4.980 -26.276 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.138 5.938 -26.233 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.249 5.238 -27.435 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.945 4.386 -25.902 1.00 0.00 H new ATOM 106 N LEU A 9 -1.592 1.174 -26.350 1.00 0.00 N ATOM 107 CA LEU A 9 -2.004 0.264 -25.296 1.00 0.00 C ATOM 108 C LEU A 9 -1.917 1.005 -23.948 1.00 0.00 C ATOM 109 O LEU A 9 -1.088 1.886 -23.759 1.00 0.00 O ATOM 110 CB LEU A 9 -1.114 -0.992 -25.303 1.00 0.00 C ATOM 111 CG LEU A 9 0.395 -0.734 -25.090 1.00 0.00 C ATOM 112 CD1 LEU A 9 1.106 -1.990 -24.568 1.00 0.00 C ATOM 113 CD2 LEU A 9 1.095 -0.226 -26.363 1.00 0.00 C ATOM 0 H LEU A 9 -0.609 1.097 -26.611 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.031 -0.062 -25.458 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.463 -1.669 -24.524 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.247 -1.506 -26.255 1.00 0.00 H new ATOM 0 HG LEU A 9 0.465 0.053 -24.339 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.166 -1.777 -24.428 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.667 -2.287 -23.616 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.991 -2.799 -25.289 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.152 -0.062 -26.156 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.991 -0.967 -27.156 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.638 0.711 -26.680 1.00 0.00 H new ATOM 125 N GLU A 10 -2.825 0.598 -23.039 1.00 0.00 N ATOM 126 CA GLU A 10 -2.879 1.189 -21.702 1.00 0.00 C ATOM 127 C GLU A 10 -1.907 0.427 -20.787 1.00 0.00 C ATOM 128 O GLU A 10 -2.160 -0.707 -20.401 1.00 0.00 O ATOM 129 CB GLU A 10 -4.320 1.072 -21.184 1.00 0.00 C ATOM 130 CG GLU A 10 -5.233 2.174 -21.751 1.00 0.00 C ATOM 131 CD GLU A 10 -5.275 3.446 -20.876 1.00 0.00 C ATOM 132 OE1 GLU A 10 -4.338 3.689 -20.115 1.00 0.00 O ATOM 133 OE2 GLU A 10 -6.258 4.180 -20.965 1.00 0.00 O ATOM 0 H GLU A 10 -3.520 -0.129 -23.210 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.589 2.240 -21.722 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.723 0.095 -21.452 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.319 1.128 -20.095 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.890 2.441 -22.751 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.244 1.780 -21.855 1.00 0.00 H new ATOM 140 N VAL A 11 -0.797 1.127 -20.456 1.00 0.00 N ATOM 141 CA VAL A 11 0.248 0.529 -19.619 1.00 0.00 C ATOM 142 C VAL A 11 0.962 1.590 -18.753 1.00 0.00 C ATOM 143 O VAL A 11 2.181 1.727 -18.741 1.00 0.00 O ATOM 144 CB VAL A 11 1.278 -0.152 -20.529 1.00 0.00 C ATOM 145 CG1 VAL A 11 0.666 -1.287 -21.362 1.00 0.00 C ATOM 146 CG2 VAL A 11 1.978 0.903 -21.411 1.00 0.00 C ATOM 0 H VAL A 11 -0.611 2.085 -20.752 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.219 -0.193 -18.949 1.00 0.00 H new ATOM 0 HB VAL A 11 2.028 -0.625 -19.895 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.437 -1.735 -21.988 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.253 -2.045 -20.696 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.128 -0.888 -21.994 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.708 0.413 -22.055 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.237 1.413 -22.026 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.484 1.630 -20.776 1.00 0.00 H new ATOM 156 N GLU A 12 0.109 2.287 -18.004 1.00 0.00 N ATOM 157 CA GLU A 12 0.531 3.340 -17.092 1.00 0.00 C ATOM 158 C GLU A 12 1.097 2.682 -15.852 1.00 0.00 C ATOM 159 O GLU A 12 0.869 1.511 -15.569 1.00 0.00 O ATOM 160 CB GLU A 12 -0.642 4.251 -16.718 1.00 0.00 C ATOM 161 CG GLU A 12 -1.085 5.127 -17.899 1.00 0.00 C ATOM 162 CD GLU A 12 -0.399 6.503 -17.834 1.00 0.00 C ATOM 163 OE1 GLU A 12 -0.900 7.379 -17.127 1.00 0.00 O ATOM 164 OE2 GLU A 12 0.632 6.677 -18.484 1.00 0.00 O ATOM 0 H GLU A 12 -0.899 2.133 -18.015 1.00 0.00 H new ATOM 0 HA GLU A 12 1.284 3.962 -17.575 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.482 3.643 -16.382 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.355 4.888 -15.881 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.837 4.634 -18.839 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.168 5.252 -17.881 1.00 0.00 H new ATOM 171 N LYS A 13 1.926 3.511 -15.198 1.00 0.00 N ATOM 172 CA LYS A 13 2.580 3.093 -13.991 1.00 0.00 C ATOM 173 C LYS A 13 1.538 2.901 -12.897 1.00 0.00 C ATOM 174 O LYS A 13 1.184 3.795 -12.157 1.00 0.00 O ATOM 175 CB LYS A 13 3.545 4.148 -13.504 1.00 0.00 C ATOM 176 CG LYS A 13 4.640 4.460 -14.496 1.00 0.00 C ATOM 177 CD LYS A 13 5.457 3.224 -14.794 1.00 0.00 C ATOM 178 CE LYS A 13 6.827 3.491 -15.409 1.00 0.00 C ATOM 179 NZ LYS A 13 6.915 3.071 -16.798 1.00 0.00 N ATOM 0 H LYS A 13 2.145 4.461 -15.497 1.00 0.00 H new ATOM 0 HA LYS A 13 3.116 2.168 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.993 5.062 -13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.995 3.815 -12.569 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.204 4.845 -15.418 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.286 5.242 -14.098 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.593 2.665 -13.868 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.889 2.586 -15.471 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.048 4.556 -15.342 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.588 2.970 -14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.808 3.412 -17.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.884 2.033 -16.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.116 3.468 -17.332 1.00 0.00 H new ATOM 193 N TRP A 14 1.095 1.646 -12.889 1.00 0.00 N ATOM 194 CA TRP A 14 0.151 1.196 -11.879 1.00 0.00 C ATOM 195 C TRP A 14 0.550 -0.277 -11.597 1.00 0.00 C ATOM 196 O TRP A 14 1.014 -0.600 -10.513 1.00 0.00 O ATOM 197 CB TRP A 14 -1.351 1.455 -12.183 1.00 0.00 C ATOM 198 CG TRP A 14 -2.180 0.417 -12.931 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.781 0.524 -14.181 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.690 -0.814 -12.373 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.604 -0.535 -14.409 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.579 -1.389 -13.309 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.446 -1.425 -11.190 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.207 -2.570 -12.978 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.070 -2.620 -10.883 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.944 -3.188 -11.780 1.00 0.00 C ATOM 0 H TRP A 14 1.373 0.933 -13.563 1.00 0.00 H new ATOM 0 HA TRP A 14 0.228 1.800 -10.975 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.846 1.635 -11.229 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.409 2.383 -12.752 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.617 1.335 -14.875 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.155 -0.681 -15.255 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.762 -0.978 -10.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.912 -3.013 -13.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.871 -3.107 -9.940 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.426 -4.125 -11.541 1.00 0.00 H new ATOM 217 N PHE A 15 0.358 -1.141 -12.627 1.00 0.00 N ATOM 218 CA PHE A 15 0.671 -2.576 -12.551 1.00 0.00 C ATOM 219 C PHE A 15 2.110 -2.947 -12.971 1.00 0.00 C ATOM 220 O PHE A 15 2.496 -2.707 -14.108 1.00 0.00 O ATOM 221 CB PHE A 15 -0.325 -3.418 -13.371 1.00 0.00 C ATOM 222 CG PHE A 15 -0.234 -4.893 -13.065 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.230 -5.350 -11.747 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.157 -5.820 -14.103 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.138 -6.710 -11.480 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.074 -7.181 -13.837 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.064 -7.626 -12.522 1.00 0.00 C ATOM 0 H PHE A 15 -0.019 -0.854 -13.530 1.00 0.00 H new ATOM 0 HA PHE A 15 0.581 -2.810 -11.490 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.339 -3.072 -13.170 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.139 -3.260 -14.433 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.299 -4.645 -10.932 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.162 -5.476 -15.127 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.124 -7.057 -10.457 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.017 -7.890 -14.650 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.001 -8.683 -12.309 1.00 0.00 H new ATOM 237 N PHE A 16 2.923 -3.383 -11.982 1.00 0.00 N ATOM 238 CA PHE A 16 4.256 -3.924 -12.296 1.00 0.00 C ATOM 239 C PHE A 16 4.340 -5.372 -11.765 1.00 0.00 C ATOM 240 O PHE A 16 3.407 -5.875 -11.155 1.00 0.00 O ATOM 241 CB PHE A 16 5.375 -2.989 -11.764 1.00 0.00 C ATOM 242 CG PHE A 16 5.874 -1.964 -12.761 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.988 -2.250 -14.123 1.00 0.00 C ATOM 244 CD2 PHE A 16 6.240 -0.695 -12.315 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.437 -1.292 -15.019 1.00 0.00 C ATOM 246 CE2 PHE A 16 6.681 0.272 -13.219 1.00 0.00 C ATOM 247 CZ PHE A 16 6.784 -0.032 -14.566 1.00 0.00 C ATOM 0 H PHE A 16 2.686 -3.371 -10.990 1.00 0.00 H new ATOM 0 HA PHE A 16 4.412 -3.963 -13.374 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.004 -2.467 -10.882 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.217 -3.601 -11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.722 -3.233 -14.484 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.182 -0.459 -11.263 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.516 -1.529 -16.070 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.942 1.259 -12.868 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.135 0.715 -15.263 1.00 0.00 H new ATOM 257 N ARG A 17 5.557 -5.959 -11.933 1.00 0.00 N ATOM 258 CA ARG A 17 5.794 -7.309 -11.393 1.00 0.00 C ATOM 259 C ARG A 17 6.152 -7.112 -9.931 1.00 0.00 C ATOM 260 O ARG A 17 5.273 -7.181 -9.090 1.00 0.00 O ATOM 261 CB ARG A 17 6.949 -8.045 -12.094 1.00 0.00 C ATOM 262 CG ARG A 17 6.505 -8.871 -13.285 1.00 0.00 C ATOM 263 CD ARG A 17 5.634 -10.065 -12.882 1.00 0.00 C ATOM 264 NE ARG A 17 5.324 -10.898 -14.041 1.00 0.00 N ATOM 265 CZ ARG A 17 4.758 -12.116 -13.906 1.00 0.00 C ATOM 266 NH1 ARG A 17 4.471 -12.610 -12.707 1.00 0.00 N ATOM 267 NH2 ARG A 17 4.480 -12.840 -14.983 1.00 0.00 N ATOM 0 H ARG A 17 6.349 -5.536 -12.416 1.00 0.00 H new ATOM 0 HA ARG A 17 4.905 -7.921 -11.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.688 -7.315 -12.424 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.444 -8.697 -11.374 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.949 -8.237 -13.975 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.383 -9.231 -13.820 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.151 -10.660 -12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.710 -9.709 -12.427 1.00 0.00 H new ATOM 0 HE ARG A 17 5.541 -10.551 -14.975 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.678 -12.067 -11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.043 -13.532 -12.624 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.694 -12.476 -15.911 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.052 -13.761 -14.882 1.00 0.00 H new ATOM 281 N THR A 18 7.450 -6.872 -9.699 1.00 0.00 N ATOM 282 CA THR A 18 7.951 -6.613 -8.378 1.00 0.00 C ATOM 283 C THR A 18 9.127 -5.648 -8.461 1.00 0.00 C ATOM 284 O THR A 18 10.283 -6.051 -8.490 1.00 0.00 O ATOM 285 CB THR A 18 8.289 -7.860 -7.546 1.00 0.00 C ATOM 286 OG1 THR A 18 9.035 -7.479 -6.337 1.00 0.00 O ATOM 287 CG2 THR A 18 8.724 -9.061 -8.458 1.00 0.00 C ATOM 0 H THR A 18 8.163 -6.856 -10.428 1.00 0.00 H new ATOM 0 HA THR A 18 7.130 -6.156 -7.826 1.00 0.00 H new ATOM 0 HB THR A 18 7.421 -8.330 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.590 -7.852 -5.547 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.955 -9.925 -7.836 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.912 -9.312 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.607 -8.781 -9.032 1.00 0.00 H new ATOM 295 N ILE A 19 8.755 -4.358 -8.614 1.00 0.00 N ATOM 296 CA ILE A 19 9.798 -3.346 -8.583 1.00 0.00 C ATOM 297 C ILE A 19 10.215 -3.222 -7.111 1.00 0.00 C ATOM 298 O ILE A 19 9.461 -3.562 -6.210 1.00 0.00 O ATOM 299 CB ILE A 19 9.285 -2.014 -9.134 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.400 -1.200 -9.780 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.475 -1.189 -8.143 1.00 0.00 C ATOM 302 CD1 ILE A 19 9.893 0.151 -10.299 1.00 0.00 C ATOM 0 H ILE A 19 7.802 -4.021 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 19 10.646 -3.623 -9.210 1.00 0.00 H new ATOM 0 HB ILE A 19 8.574 -2.287 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.196 -1.035 -9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.833 -1.767 -10.604 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.152 -0.263 -8.619 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.601 -1.757 -7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.091 -0.956 -7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.719 0.700 -10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.115 -0.014 -11.044 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.484 0.729 -9.470 1.00 0.00 H new ATOM 314 N SER A 20 11.453 -2.745 -6.912 1.00 0.00 N ATOM 315 CA SER A 20 11.905 -2.562 -5.534 1.00 0.00 C ATOM 316 C SER A 20 11.000 -1.500 -4.885 1.00 0.00 C ATOM 317 O SER A 20 10.420 -0.649 -5.543 1.00 0.00 O ATOM 318 CB SER A 20 13.391 -2.164 -5.621 1.00 0.00 C ATOM 319 OG SER A 20 14.157 -1.900 -4.363 1.00 0.00 O ATOM 0 H SER A 20 12.120 -2.494 -7.641 1.00 0.00 H new ATOM 0 HA SER A 20 11.832 -3.452 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.911 -2.956 -6.160 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.453 -1.266 -6.236 1.00 0.00 H new ATOM 0 HG SER A 20 14.692 -2.689 -4.134 1.00 0.00 H new ATOM 325 N ARG A 21 10.979 -1.572 -3.554 1.00 0.00 N ATOM 326 CA ARG A 21 10.130 -0.662 -2.777 1.00 0.00 C ATOM 327 C ARG A 21 10.524 0.786 -3.076 1.00 0.00 C ATOM 328 O ARG A 21 9.728 1.594 -3.528 1.00 0.00 O ATOM 329 CB ARG A 21 10.229 -0.950 -1.274 1.00 0.00 C ATOM 330 CG ARG A 21 9.140 -0.229 -0.456 1.00 0.00 C ATOM 331 CD ARG A 21 9.526 -0.040 1.014 1.00 0.00 C ATOM 332 NE ARG A 21 10.491 1.052 1.135 1.00 0.00 N ATOM 333 CZ ARG A 21 10.773 1.644 2.311 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.193 1.232 3.429 1.00 0.00 N ATOM 335 NH2 ARG A 21 11.634 2.653 2.348 1.00 0.00 N ATOM 0 H ARG A 21 11.524 -2.232 -3.000 1.00 0.00 H new ATOM 0 HA ARG A 21 9.093 -0.821 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.150 -2.024 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.211 -0.643 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.943 0.745 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.213 -0.799 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.638 0.179 1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.954 -0.961 1.409 1.00 0.00 H new ATOM 0 HE ARG A 21 10.969 1.378 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.527 0.460 3.403 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.413 1.687 4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.078 2.976 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.852 3.105 3.236 1.00 0.00 H new ATOM 349 N LYS A 22 11.826 1.032 -2.835 1.00 0.00 N ATOM 350 CA LYS A 22 12.377 2.358 -3.096 1.00 0.00 C ATOM 351 C LYS A 22 12.261 2.787 -4.562 1.00 0.00 C ATOM 352 O LYS A 22 12.396 3.963 -4.864 1.00 0.00 O ATOM 353 CB LYS A 22 13.824 2.471 -2.626 1.00 0.00 C ATOM 354 CG LYS A 22 14.715 1.333 -3.093 1.00 0.00 C ATOM 355 CD LYS A 22 14.970 1.254 -4.577 1.00 0.00 C ATOM 356 CE LYS A 22 16.357 0.739 -4.997 1.00 0.00 C ATOM 357 NZ LYS A 22 16.347 -0.625 -5.516 1.00 0.00 N ATOM 0 H LYS A 22 12.491 0.349 -2.472 1.00 0.00 H new ATOM 0 HA LYS A 22 11.763 3.045 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.239 3.414 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.840 2.508 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.675 1.419 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.267 0.393 -2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.214 0.606 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.829 2.247 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.766 1.404 -5.758 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.027 0.786 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.302 -1.031 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.683 -1.202 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.049 -0.615 -6.512 1.00 0.00 H new ATOM 371 N ASP A 23 11.991 1.792 -5.448 1.00 0.00 N ATOM 372 CA ASP A 23 11.903 2.080 -6.859 1.00 0.00 C ATOM 373 C ASP A 23 10.551 2.721 -7.184 1.00 0.00 C ATOM 374 O ASP A 23 10.438 3.845 -7.633 1.00 0.00 O ATOM 375 CB ASP A 23 12.142 0.871 -7.792 1.00 0.00 C ATOM 376 CG ASP A 23 13.631 0.535 -8.009 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.500 1.260 -7.527 1.00 0.00 O ATOM 378 OD2 ASP A 23 13.910 -0.466 -8.663 1.00 0.00 O ATOM 0 H ASP A 23 11.838 0.816 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 23 12.722 2.771 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.639 -0.002 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.681 1.073 -8.759 1.00 0.00 H new ATOM 383 N ALA A 24 9.517 1.925 -6.876 1.00 0.00 N ATOM 384 CA ALA A 24 8.130 2.355 -7.065 1.00 0.00 C ATOM 385 C ALA A 24 7.900 3.700 -6.339 1.00 0.00 C ATOM 386 O ALA A 24 7.173 4.567 -6.804 1.00 0.00 O ATOM 387 CB ALA A 24 7.203 1.249 -6.551 1.00 0.00 C ATOM 0 H ALA A 24 9.617 0.984 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 24 7.912 2.519 -8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.165 1.553 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.387 0.331 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.397 1.074 -5.493 1.00 0.00 H new ATOM 393 N GLU A 25 8.576 3.791 -5.174 1.00 0.00 N ATOM 394 CA GLU A 25 8.559 4.986 -4.352 1.00 0.00 C ATOM 395 C GLU A 25 9.261 6.149 -5.084 1.00 0.00 C ATOM 396 O GLU A 25 8.808 7.273 -5.022 1.00 0.00 O ATOM 397 CB GLU A 25 9.232 4.748 -2.997 1.00 0.00 C ATOM 398 CG GLU A 25 8.392 3.893 -2.033 1.00 0.00 C ATOM 399 CD GLU A 25 8.906 3.917 -0.581 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.047 4.307 -0.340 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.144 3.543 0.306 1.00 0.00 O ATOM 0 H GLU A 25 9.142 3.033 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 25 7.516 5.246 -4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.193 4.260 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.439 5.711 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.361 4.247 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.382 2.863 -2.389 1.00 0.00 H new ATOM 408 N ARG A 26 10.368 5.835 -5.805 1.00 0.00 N ATOM 409 CA ARG A 26 11.150 6.873 -6.486 1.00 0.00 C ATOM 410 C ARG A 26 10.319 7.550 -7.589 1.00 0.00 C ATOM 411 O ARG A 26 10.438 8.741 -7.850 1.00 0.00 O ATOM 412 CB ARG A 26 12.445 6.288 -7.122 1.00 0.00 C ATOM 413 CG ARG A 26 12.390 5.716 -8.564 1.00 0.00 C ATOM 414 CD ARG A 26 13.305 4.510 -8.805 1.00 0.00 C ATOM 415 NE ARG A 26 14.245 4.805 -9.885 1.00 0.00 N ATOM 416 CZ ARG A 26 15.407 4.140 -10.048 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.756 3.158 -9.231 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.219 4.467 -11.043 1.00 0.00 N ATOM 0 H ARG A 26 10.726 4.887 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 26 11.426 7.608 -5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.200 7.074 -7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.802 5.493 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.363 5.427 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.659 6.506 -9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.850 4.269 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.708 3.635 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 26 14.012 5.547 -10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.142 2.892 -8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.639 2.667 -9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.964 5.220 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.099 3.966 -11.169 1.00 0.00 H new ATOM 432 N GLN A 27 9.451 6.694 -8.162 1.00 0.00 N ATOM 433 CA GLN A 27 8.599 7.140 -9.255 1.00 0.00 C ATOM 434 C GLN A 27 7.450 8.009 -8.742 1.00 0.00 C ATOM 435 O GLN A 27 7.189 9.081 -9.274 1.00 0.00 O ATOM 436 CB GLN A 27 8.025 5.938 -10.022 1.00 0.00 C ATOM 437 CG GLN A 27 9.097 4.969 -10.542 1.00 0.00 C ATOM 438 CD GLN A 27 8.466 3.843 -11.370 1.00 0.00 C ATOM 439 OE1 GLN A 27 8.474 2.677 -11.002 1.00 0.00 O ATOM 440 NE2 GLN A 27 7.945 4.269 -12.528 1.00 0.00 N ATOM 0 H GLN A 27 9.330 5.719 -7.889 1.00 0.00 H new ATOM 0 HA GLN A 27 9.217 7.735 -9.927 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.342 5.394 -9.369 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.438 6.303 -10.865 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.819 5.513 -11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.646 4.544 -9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.976 5.260 -12.767 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.518 3.602 -13.171 1.00 0.00 H new ATOM 449 N LEU A 28 6.751 7.480 -7.712 1.00 0.00 N ATOM 450 CA LEU A 28 5.639 8.235 -7.159 1.00 0.00 C ATOM 451 C LEU A 28 6.103 9.578 -6.574 1.00 0.00 C ATOM 452 O LEU A 28 5.497 10.614 -6.814 1.00 0.00 O ATOM 453 CB LEU A 28 4.879 7.353 -6.182 1.00 0.00 C ATOM 454 CG LEU A 28 4.451 6.056 -6.873 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.119 4.990 -5.848 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.272 6.331 -7.797 1.00 0.00 C ATOM 0 H LEU A 28 6.935 6.577 -7.275 1.00 0.00 H new ATOM 0 HA LEU A 28 4.942 8.513 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.507 7.126 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.003 7.882 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 28 5.277 5.680 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.817 4.076 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.997 4.790 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.304 5.337 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.970 5.405 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.437 6.722 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.563 7.062 -8.551 1.00 0.00 H new ATOM 468 N LEU A 29 7.220 9.491 -5.807 1.00 0.00 N ATOM 469 CA LEU A 29 7.835 10.649 -5.168 1.00 0.00 C ATOM 470 C LEU A 29 8.509 11.577 -6.189 1.00 0.00 C ATOM 471 O LEU A 29 9.028 12.625 -5.824 1.00 0.00 O ATOM 472 CB LEU A 29 8.937 10.155 -4.224 1.00 0.00 C ATOM 473 CG LEU A 29 8.391 9.332 -3.066 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.518 8.561 -2.384 1.00 0.00 C ATOM 475 CD2 LEU A 29 7.638 10.220 -2.080 1.00 0.00 C ATOM 0 H LEU A 29 7.706 8.613 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 29 7.049 11.196 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.650 9.554 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.484 11.012 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 29 7.680 8.604 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.112 7.977 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.989 7.892 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.260 9.263 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.256 9.611 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.313 10.979 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.806 10.705 -2.590 1.00 0.00 H new ATOM 487 N ALA A 30 8.483 11.156 -7.472 1.00 0.00 N ATOM 488 CA ALA A 30 9.069 11.982 -8.515 1.00 0.00 C ATOM 489 C ALA A 30 8.260 13.283 -8.613 1.00 0.00 C ATOM 490 O ALA A 30 7.051 13.283 -8.417 1.00 0.00 O ATOM 491 CB ALA A 30 9.074 11.265 -9.870 1.00 0.00 C ATOM 0 H ALA A 30 8.074 10.277 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 30 10.107 12.193 -8.257 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.520 11.914 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.655 10.346 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.051 11.024 -10.158 1.00 0.00 H new ATOM 497 N PRO A 31 8.967 14.404 -8.920 1.00 0.00 N ATOM 498 CA PRO A 31 8.294 15.693 -9.024 1.00 0.00 C ATOM 499 C PRO A 31 7.335 15.828 -10.221 1.00 0.00 C ATOM 500 O PRO A 31 6.617 16.812 -10.352 1.00 0.00 O ATOM 501 CB PRO A 31 9.451 16.692 -9.229 1.00 0.00 C ATOM 502 CG PRO A 31 10.745 15.893 -9.386 1.00 0.00 C ATOM 503 CD PRO A 31 10.415 14.462 -9.031 1.00 0.00 C ATOM 0 HA PRO A 31 7.674 15.850 -8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.273 17.305 -10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.523 17.371 -8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.121 15.962 -10.407 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.524 16.285 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.776 13.776 -9.797 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.891 14.172 -8.094 1.00 0.00 H new ATOM 511 N MET A 32 7.346 14.776 -11.062 1.00 0.00 N ATOM 512 CA MET A 32 6.473 14.692 -12.211 1.00 0.00 C ATOM 513 C MET A 32 5.026 14.339 -11.829 1.00 0.00 C ATOM 514 O MET A 32 4.092 14.627 -12.567 1.00 0.00 O ATOM 515 CB MET A 32 7.079 13.635 -13.127 1.00 0.00 C ATOM 516 CG MET A 32 8.062 14.264 -14.111 1.00 0.00 C ATOM 517 SD MET A 32 8.917 13.016 -15.085 1.00 0.00 S ATOM 518 CE MET A 32 9.924 12.302 -13.772 1.00 0.00 C ATOM 0 H MET A 32 7.964 13.972 -10.950 1.00 0.00 H new ATOM 0 HA MET A 32 6.405 15.661 -12.706 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.590 12.880 -12.529 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.286 13.125 -13.675 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.528 14.942 -14.776 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.791 14.862 -13.565 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.805 11.829 -14.206 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.236 13.088 -13.084 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.341 11.557 -13.231 1.00 0.00 H new ATOM 528 N ASN A 33 4.902 13.715 -10.637 1.00 0.00 N ATOM 529 CA ASN A 33 3.589 13.274 -10.158 1.00 0.00 C ATOM 530 C ASN A 33 3.457 13.466 -8.642 1.00 0.00 C ATOM 531 O ASN A 33 4.403 13.796 -7.947 1.00 0.00 O ATOM 532 CB ASN A 33 3.360 11.803 -10.545 1.00 0.00 C ATOM 533 CG ASN A 33 3.462 11.582 -12.048 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.444 11.072 -12.568 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.353 11.994 -12.680 1.00 0.00 N ATOM 0 H ASN A 33 5.679 13.512 -10.008 1.00 0.00 H new ATOM 0 HA ASN A 33 2.824 13.888 -10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.093 11.177 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.376 11.487 -10.199 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.275 11.893 -13.692 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.587 12.409 -12.149 1.00 0.00 H new ATOM 542 N LYS A 34 2.210 13.232 -8.176 1.00 0.00 N ATOM 543 CA LYS A 34 1.936 13.409 -6.752 1.00 0.00 C ATOM 544 C LYS A 34 0.832 12.441 -6.300 1.00 0.00 C ATOM 545 O LYS A 34 0.452 11.543 -7.050 1.00 0.00 O ATOM 546 CB LYS A 34 1.613 14.888 -6.499 1.00 0.00 C ATOM 547 CG LYS A 34 0.555 15.489 -7.429 1.00 0.00 C ATOM 548 CD LYS A 34 -0.813 14.852 -7.210 1.00 0.00 C ATOM 549 CE LYS A 34 -1.977 15.689 -7.744 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.241 15.284 -7.135 1.00 0.00 N ATOM 0 H LYS A 34 1.417 12.934 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 34 2.807 13.160 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.274 14.999 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.532 15.467 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.488 16.563 -7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.860 15.349 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.830 13.875 -7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.958 14.684 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.794 16.744 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.040 15.580 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.984 15.258 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.136 14.339 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.504 15.966 -6.396 1.00 0.00 H new ATOM 564 N ALA A 35 0.278 12.727 -5.098 1.00 0.00 N ATOM 565 CA ALA A 35 -0.775 11.932 -4.494 1.00 0.00 C ATOM 566 C ALA A 35 -1.868 11.544 -5.518 1.00 0.00 C ATOM 567 O ALA A 35 -2.665 12.372 -5.941 1.00 0.00 O ATOM 568 CB ALA A 35 -1.351 12.743 -3.324 1.00 0.00 C ATOM 0 H ALA A 35 0.563 13.525 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.368 10.988 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.148 12.174 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.563 12.945 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.752 13.686 -3.697 1.00 0.00 H new ATOM 574 N GLY A 36 -1.850 10.237 -5.870 1.00 0.00 N ATOM 575 CA GLY A 36 -2.780 9.688 -6.853 1.00 0.00 C ATOM 576 C GLY A 36 -2.065 8.731 -7.802 1.00 0.00 C ATOM 577 O GLY A 36 -2.629 7.744 -8.248 1.00 0.00 O ATOM 0 H GLY A 36 -1.199 9.554 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.588 9.164 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.235 10.499 -7.422 1.00 0.00 H new ATOM 581 N SER A 37 -0.785 9.066 -8.057 1.00 0.00 N ATOM 582 CA SER A 37 0.073 8.154 -8.793 1.00 0.00 C ATOM 583 C SER A 37 0.242 6.937 -7.861 1.00 0.00 C ATOM 584 O SER A 37 0.544 7.082 -6.678 1.00 0.00 O ATOM 585 CB SER A 37 1.425 8.828 -9.122 1.00 0.00 C ATOM 586 OG SER A 37 2.153 9.413 -7.955 1.00 0.00 O ATOM 0 H SER A 37 -0.344 9.939 -7.768 1.00 0.00 H new ATOM 0 HA SER A 37 -0.348 7.860 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.072 8.092 -9.599 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.249 9.618 -9.852 1.00 0.00 H new ATOM 0 HG SER A 37 1.633 10.157 -7.585 1.00 0.00 H new ATOM 592 N PHE A 38 0.051 5.738 -8.469 1.00 0.00 N ATOM 593 CA PHE A 38 0.155 4.504 -7.684 1.00 0.00 C ATOM 594 C PHE A 38 1.063 3.493 -8.452 1.00 0.00 C ATOM 595 O PHE A 38 1.420 3.670 -9.606 1.00 0.00 O ATOM 596 CB PHE A 38 -1.231 3.814 -7.500 1.00 0.00 C ATOM 597 CG PHE A 38 -2.173 4.224 -6.385 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.387 5.531 -5.997 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.924 3.250 -5.737 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.354 5.868 -5.055 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.861 3.568 -4.756 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.093 4.890 -4.421 1.00 0.00 C ATOM 0 H PHE A 38 -0.166 5.611 -9.457 1.00 0.00 H new ATOM 0 HA PHE A 38 0.561 4.771 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.774 3.938 -8.437 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.042 2.747 -7.380 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.787 6.314 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.776 2.214 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.528 6.907 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.407 2.781 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.835 5.151 -3.681 1.00 0.00 H new ATOM 612 N LEU A 39 1.358 2.422 -7.681 1.00 0.00 N ATOM 613 CA LEU A 39 2.185 1.287 -8.018 1.00 0.00 C ATOM 614 C LEU A 39 1.714 0.103 -7.236 1.00 0.00 C ATOM 615 O LEU A 39 1.326 0.283 -6.106 1.00 0.00 O ATOM 616 CB LEU A 39 3.663 1.489 -7.641 1.00 0.00 C ATOM 617 CG LEU A 39 4.520 2.112 -8.726 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.346 1.163 -9.883 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.287 3.564 -9.171 1.00 0.00 C ATOM 0 H LEU A 39 0.984 2.342 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 39 2.106 1.152 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.713 2.118 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.089 0.523 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 39 5.522 2.227 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.927 1.517 -10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.692 0.170 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.292 1.114 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.999 3.823 -9.955 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.272 3.669 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.424 4.232 -8.320 1.00 0.00 H new ATOM 631 N ILE A 40 1.792 -1.113 -7.878 1.00 0.00 N ATOM 632 CA ILE A 40 1.341 -2.238 -7.077 1.00 0.00 C ATOM 633 C ILE A 40 2.467 -3.287 -7.390 1.00 0.00 C ATOM 634 O ILE A 40 2.414 -4.027 -8.365 1.00 0.00 O ATOM 635 CB ILE A 40 -0.142 -2.571 -7.481 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.013 -3.169 -6.357 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.208 -3.687 -8.513 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.492 -2.673 -6.458 1.00 0.00 C ATOM 0 H ILE A 40 2.122 -1.301 -8.825 1.00 0.00 H new ATOM 0 HA ILE A 40 1.250 -2.125 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.501 -1.596 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.988 -4.257 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.600 -2.891 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.249 -3.888 -8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.332 -3.385 -9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.246 -4.589 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.079 -3.113 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.518 -1.586 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.912 -2.973 -7.418 1.00 0.00 H new ATOM 650 N ARG A 41 3.506 -3.318 -6.523 1.00 0.00 N ATOM 651 CA ARG A 41 4.556 -4.275 -6.804 1.00 0.00 C ATOM 652 C ARG A 41 4.252 -5.533 -6.004 1.00 0.00 C ATOM 653 O ARG A 41 3.517 -5.492 -5.030 1.00 0.00 O ATOM 654 CB ARG A 41 5.896 -3.618 -6.440 1.00 0.00 C ATOM 655 CG ARG A 41 6.249 -3.573 -4.942 1.00 0.00 C ATOM 656 CD ARG A 41 7.146 -4.745 -4.522 1.00 0.00 C ATOM 657 NE ARG A 41 7.943 -4.374 -3.354 1.00 0.00 N ATOM 658 CZ ARG A 41 8.943 -5.156 -2.903 1.00 0.00 C ATOM 659 NH1 ARG A 41 9.253 -6.292 -3.516 1.00 0.00 N ATOM 660 NH2 ARG A 41 9.626 -4.788 -1.824 1.00 0.00 N ATOM 0 H ARG A 41 3.623 -2.736 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 41 4.614 -4.562 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.691 -4.150 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.891 -2.597 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.753 -2.633 -4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.332 -3.591 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.534 -5.617 -4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.802 -5.024 -5.346 1.00 0.00 H new ATOM 0 HE ARG A 41 7.737 -3.501 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.731 -6.585 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.013 -6.872 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.392 -3.919 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.385 -5.374 -1.476 1.00 0.00 H new ATOM 674 N GLU A 42 4.844 -6.658 -6.470 1.00 0.00 N ATOM 675 CA GLU A 42 4.563 -7.917 -5.791 1.00 0.00 C ATOM 676 C GLU A 42 5.633 -8.225 -4.761 1.00 0.00 C ATOM 677 O GLU A 42 6.791 -7.913 -4.984 1.00 0.00 O ATOM 678 CB GLU A 42 4.411 -9.121 -6.760 1.00 0.00 C ATOM 679 CG GLU A 42 5.638 -9.933 -7.241 1.00 0.00 C ATOM 680 CD GLU A 42 5.229 -11.360 -7.676 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.072 -11.583 -8.037 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.085 -12.237 -7.644 1.00 0.00 O ATOM 0 H GLU A 42 5.480 -6.710 -7.266 1.00 0.00 H new ATOM 0 HA GLU A 42 3.601 -7.779 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.731 -9.827 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.909 -8.748 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.114 -9.418 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.375 -9.991 -6.440 1.00 0.00 H new ATOM 689 N SER A 43 5.229 -8.873 -3.646 1.00 0.00 N ATOM 690 CA SER A 43 6.319 -9.233 -2.727 1.00 0.00 C ATOM 691 C SER A 43 6.979 -10.449 -3.432 1.00 0.00 C ATOM 692 O SER A 43 6.298 -11.415 -3.736 1.00 0.00 O ATOM 693 CB SER A 43 5.827 -9.595 -1.272 1.00 0.00 C ATOM 694 OG SER A 43 6.702 -9.364 -0.087 1.00 0.00 O ATOM 0 H SER A 43 4.278 -9.130 -3.383 1.00 0.00 H new ATOM 0 HA SER A 43 7.001 -8.400 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.904 -9.042 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.568 -10.654 -1.276 1.00 0.00 H new ATOM 0 HG SER A 43 6.232 -9.645 0.726 1.00 0.00 H new ATOM 700 N GLU A 44 8.289 -10.367 -3.740 1.00 0.00 N ATOM 701 CA GLU A 44 8.900 -11.498 -4.453 1.00 0.00 C ATOM 702 C GLU A 44 9.088 -12.770 -3.561 1.00 0.00 C ATOM 703 O GLU A 44 9.908 -13.625 -3.866 1.00 0.00 O ATOM 704 CB GLU A 44 10.258 -11.139 -5.072 1.00 0.00 C ATOM 705 CG GLU A 44 11.177 -10.417 -4.071 1.00 0.00 C ATOM 706 CD GLU A 44 12.660 -10.346 -4.491 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.943 -9.890 -5.597 1.00 0.00 O ATOM 708 OE2 GLU A 44 13.517 -10.738 -3.698 1.00 0.00 O ATOM 0 H GLU A 44 8.907 -9.585 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 44 8.186 -11.729 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.748 -12.047 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.102 -10.504 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.806 -9.403 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.110 -10.923 -3.108 1.00 0.00 H new ATOM 715 N SER A 45 8.338 -12.852 -2.441 1.00 0.00 N ATOM 716 CA SER A 45 8.466 -13.992 -1.540 1.00 0.00 C ATOM 717 C SER A 45 7.101 -14.414 -0.969 1.00 0.00 C ATOM 718 O SER A 45 7.020 -15.193 -0.028 1.00 0.00 O ATOM 719 CB SER A 45 9.397 -13.563 -0.371 1.00 0.00 C ATOM 720 OG SER A 45 8.824 -12.802 0.771 1.00 0.00 O ATOM 0 H SER A 45 7.654 -12.152 -2.153 1.00 0.00 H new ATOM 0 HA SER A 45 8.874 -14.841 -2.088 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.854 -14.466 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.201 -12.962 -0.796 1.00 0.00 H new ATOM 0 HG SER A 45 9.530 -12.608 1.422 1.00 0.00 H new ATOM 726 N ASN A 46 6.040 -13.857 -1.583 1.00 0.00 N ATOM 727 CA ASN A 46 4.681 -14.122 -1.145 1.00 0.00 C ATOM 728 C ASN A 46 3.950 -15.183 -1.965 1.00 0.00 C ATOM 729 O ASN A 46 4.332 -15.550 -3.071 1.00 0.00 O ATOM 730 CB ASN A 46 3.869 -12.828 -1.275 1.00 0.00 C ATOM 731 CG ASN A 46 3.859 -12.133 -2.667 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.739 -10.928 -2.728 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.991 -12.868 -3.781 1.00 0.00 N ATOM 0 H ASN A 46 6.110 -13.224 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 46 4.761 -14.490 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.837 -13.047 -0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.250 -12.115 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.991 -12.414 -4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.091 -13.881 -3.715 1.00 0.00 H new ATOM 740 N LYS A 47 2.870 -15.664 -1.319 1.00 0.00 N ATOM 741 CA LYS A 47 1.901 -16.581 -1.919 1.00 0.00 C ATOM 742 C LYS A 47 0.995 -15.915 -2.992 1.00 0.00 C ATOM 743 O LYS A 47 -0.186 -16.228 -3.099 1.00 0.00 O ATOM 744 CB LYS A 47 1.224 -17.509 -0.896 1.00 0.00 C ATOM 745 CG LYS A 47 0.764 -16.781 0.338 1.00 0.00 C ATOM 746 CD LYS A 47 -0.113 -15.627 -0.093 1.00 0.00 C ATOM 747 CE LYS A 47 -0.790 -14.901 1.035 1.00 0.00 C ATOM 748 NZ LYS A 47 0.170 -14.190 1.872 1.00 0.00 N ATOM 0 H LYS A 47 2.650 -15.419 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 47 2.467 -17.290 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.369 -17.996 -1.365 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.921 -18.296 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.211 -17.455 0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.620 -16.416 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.494 -14.916 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.875 -16.002 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.514 -14.194 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.347 -15.613 1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.334 -13.701 2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.846 -14.868 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.684 -13.493 1.296 1.00 0.00 H new ATOM 762 N GLY A 48 1.587 -14.989 -3.765 1.00 0.00 N ATOM 763 CA GLY A 48 0.845 -14.252 -4.772 1.00 0.00 C ATOM 764 C GLY A 48 0.190 -12.993 -4.164 1.00 0.00 C ATOM 765 O GLY A 48 -0.934 -12.627 -4.483 1.00 0.00 O ATOM 0 H GLY A 48 2.575 -14.742 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.514 -13.963 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.077 -14.893 -5.205 1.00 0.00 H new ATOM 769 N ALA A 49 1.007 -12.356 -3.285 1.00 0.00 N ATOM 770 CA ALA A 49 0.624 -11.097 -2.596 1.00 0.00 C ATOM 771 C ALA A 49 1.183 -9.900 -3.379 1.00 0.00 C ATOM 772 O ALA A 49 2.045 -10.018 -4.240 1.00 0.00 O ATOM 773 CB ALA A 49 1.116 -11.000 -1.116 1.00 0.00 C ATOM 0 H ALA A 49 1.936 -12.695 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.466 -11.090 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.794 -10.051 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.693 -11.822 -0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.204 -11.060 -1.090 1.00 0.00 H new ATOM 779 N PHE A 50 0.614 -8.737 -3.023 1.00 0.00 N ATOM 780 CA PHE A 50 0.991 -7.492 -3.673 1.00 0.00 C ATOM 781 C PHE A 50 1.084 -6.386 -2.594 1.00 0.00 C ATOM 782 O PHE A 50 0.643 -6.536 -1.459 1.00 0.00 O ATOM 783 CB PHE A 50 0.070 -7.201 -4.903 1.00 0.00 C ATOM 784 CG PHE A 50 0.362 -8.054 -6.114 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.114 -9.361 -6.193 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.081 -7.547 -7.188 1.00 0.00 C ATOM 787 CE1 PHE A 50 0.143 -10.151 -7.302 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.284 -8.311 -8.327 1.00 0.00 C ATOM 789 CZ PHE A 50 0.813 -9.615 -8.388 1.00 0.00 C ATOM 0 H PHE A 50 -0.098 -8.643 -2.298 1.00 0.00 H new ATOM 0 HA PHE A 50 1.982 -7.548 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.968 -7.353 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.173 -6.152 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.693 -9.765 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.486 -6.547 -7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.179 -11.182 -7.319 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.811 -7.890 -9.170 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.968 -10.208 -9.277 1.00 0.00 H new ATOM 799 N SER A 51 1.650 -5.255 -3.054 1.00 0.00 N ATOM 800 CA SER A 51 1.894 -4.075 -2.244 1.00 0.00 C ATOM 801 C SER A 51 1.629 -2.834 -3.097 1.00 0.00 C ATOM 802 O SER A 51 2.166 -2.744 -4.185 1.00 0.00 O ATOM 803 CB SER A 51 3.361 -3.999 -1.750 1.00 0.00 C ATOM 804 OG SER A 51 3.862 -5.187 -1.001 1.00 0.00 O ATOM 0 H SER A 51 1.953 -5.146 -4.022 1.00 0.00 H new ATOM 0 HA SER A 51 1.236 -4.127 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.006 -3.841 -2.614 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.463 -3.122 -1.111 1.00 0.00 H new ATOM 0 HG SER A 51 4.794 -5.038 -0.737 1.00 0.00 H new ATOM 810 N LEU A 52 0.829 -1.884 -2.572 1.00 0.00 N ATOM 811 CA LEU A 52 0.493 -0.678 -3.341 1.00 0.00 C ATOM 812 C LEU A 52 1.080 0.581 -2.664 1.00 0.00 C ATOM 813 O LEU A 52 0.879 0.844 -1.487 1.00 0.00 O ATOM 814 CB LEU A 52 -1.052 -0.634 -3.311 1.00 0.00 C ATOM 815 CG LEU A 52 -1.779 0.395 -4.189 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.496 0.200 -5.682 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.296 0.381 -3.883 1.00 0.00 C ATOM 0 H LEU A 52 0.414 -1.929 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 52 0.896 -0.701 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.416 -1.623 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.358 -0.462 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.386 1.380 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.035 0.954 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.426 0.300 -5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.825 -0.793 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.801 1.115 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.699 -0.611 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.458 0.629 -2.834 1.00 0.00 H new ATOM 829 N SER A 53 1.845 1.306 -3.498 1.00 0.00 N ATOM 830 CA SER A 53 2.525 2.540 -3.170 1.00 0.00 C ATOM 831 C SER A 53 1.732 3.714 -3.775 1.00 0.00 C ATOM 832 O SER A 53 1.291 3.639 -4.911 1.00 0.00 O ATOM 833 CB SER A 53 3.963 2.435 -3.700 1.00 0.00 C ATOM 834 OG SER A 53 4.604 1.454 -2.760 1.00 0.00 O ATOM 0 H SER A 53 2.004 1.020 -4.464 1.00 0.00 H new ATOM 0 HA SER A 53 2.579 2.717 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.988 2.080 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.470 3.400 -3.683 1.00 0.00 H new ATOM 0 HG SER A 53 5.539 1.316 -3.019 1.00 0.00 H new ATOM 840 N VAL A 54 1.579 4.785 -2.971 1.00 0.00 N ATOM 841 CA VAL A 54 0.872 5.995 -3.427 1.00 0.00 C ATOM 842 C VAL A 54 1.657 7.144 -2.859 1.00 0.00 C ATOM 843 O VAL A 54 2.147 7.017 -1.749 1.00 0.00 O ATOM 844 CB VAL A 54 -0.572 6.130 -2.907 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.306 7.351 -3.530 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.265 4.788 -3.076 1.00 0.00 C ATOM 0 H VAL A 54 1.931 4.836 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 54 0.803 5.962 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.584 6.362 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.320 7.406 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.768 8.265 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.345 7.238 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.291 4.860 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.271 4.512 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.731 4.028 -2.505 1.00 0.00 H new ATOM 856 N LYS A 55 1.706 8.288 -3.557 1.00 0.00 N ATOM 857 CA LYS A 55 2.520 9.303 -2.898 1.00 0.00 C ATOM 858 C LYS A 55 1.704 10.026 -1.813 1.00 0.00 C ATOM 859 O LYS A 55 0.686 10.641 -2.085 1.00 0.00 O ATOM 860 CB LYS A 55 2.948 10.247 -4.018 1.00 0.00 C ATOM 861 CG LYS A 55 4.147 11.164 -3.739 1.00 0.00 C ATOM 862 CD LYS A 55 3.912 12.677 -3.848 1.00 0.00 C ATOM 863 CE LYS A 55 4.893 13.331 -4.836 1.00 0.00 C ATOM 864 NZ LYS A 55 4.556 14.721 -5.116 1.00 0.00 N ATOM 0 H LYS A 55 1.262 8.513 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 55 3.385 8.883 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.179 9.646 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.095 10.874 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.510 10.950 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.946 10.895 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.888 12.865 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.024 13.135 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.903 13.280 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.896 12.766 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.439 14.850 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.669 14.967 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.319 15.339 -4.774 1.00 0.00 H new ATOM 878 N ASP A 56 2.251 9.994 -0.566 1.00 0.00 N ATOM 879 CA ASP A 56 1.510 10.716 0.446 1.00 0.00 C ATOM 880 C ASP A 56 2.256 12.023 0.616 1.00 0.00 C ATOM 881 O ASP A 56 3.428 12.177 0.296 1.00 0.00 O ATOM 882 CB ASP A 56 1.508 9.920 1.757 1.00 0.00 C ATOM 883 CG ASP A 56 0.106 9.725 2.337 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.806 9.379 1.587 1.00 0.00 O ATOM 885 OD2 ASP A 56 -0.057 9.909 3.541 1.00 0.00 O ATOM 0 H ASP A 56 3.109 9.524 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 56 0.468 10.877 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.962 8.944 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.129 10.435 2.489 1.00 0.00 H new ATOM 890 N ILE A 57 1.464 12.942 1.168 1.00 0.00 N ATOM 891 CA ILE A 57 1.951 14.296 1.302 1.00 0.00 C ATOM 892 C ILE A 57 1.328 14.900 2.557 1.00 0.00 C ATOM 893 O ILE A 57 0.143 15.192 2.645 1.00 0.00 O ATOM 894 CB ILE A 57 1.523 15.103 0.058 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.767 14.352 -1.276 1.00 0.00 C ATOM 896 CG2 ILE A 57 2.228 16.463 0.043 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.720 15.258 -2.493 1.00 0.00 C ATOM 0 H ILE A 57 0.519 12.775 1.515 1.00 0.00 H new ATOM 0 HA ILE A 57 3.038 14.315 1.383 1.00 0.00 H new ATOM 0 HB ILE A 57 0.445 15.247 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.739 13.860 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.017 13.568 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.918 17.024 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.961 17.021 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.307 16.313 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.899 14.669 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.740 15.730 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.488 16.026 -2.404 1.00 0.00 H new ATOM 909 N THR A 58 2.242 14.944 3.537 1.00 0.00 N ATOM 910 CA THR A 58 1.982 15.469 4.869 1.00 0.00 C ATOM 911 C THR A 58 3.002 16.576 5.153 1.00 0.00 C ATOM 912 O THR A 58 3.905 16.834 4.366 1.00 0.00 O ATOM 913 CB THR A 58 2.040 14.309 5.881 1.00 0.00 C ATOM 914 OG1 THR A 58 1.570 14.876 7.160 1.00 0.00 O ATOM 915 CG2 THR A 58 3.419 13.573 5.711 1.00 0.00 C ATOM 0 H THR A 58 3.197 14.608 3.416 1.00 0.00 H new ATOM 0 HA THR A 58 0.988 15.910 4.951 1.00 0.00 H new ATOM 0 HB THR A 58 1.375 13.455 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.582 14.180 7.850 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.480 12.747 6.420 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.502 13.187 4.695 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.232 14.274 5.900 1.00 0.00 H new ATOM 923 N THR A 59 2.795 17.215 6.319 1.00 0.00 N ATOM 924 CA THR A 59 3.678 18.288 6.753 1.00 0.00 C ATOM 925 C THR A 59 5.093 17.740 7.083 1.00 0.00 C ATOM 926 O THR A 59 6.024 18.515 7.270 1.00 0.00 O ATOM 927 CB THR A 59 3.060 19.018 8.005 1.00 0.00 C ATOM 928 OG1 THR A 59 3.679 20.232 8.559 1.00 0.00 O ATOM 929 CG2 THR A 59 2.814 18.005 9.152 1.00 0.00 C ATOM 0 H THR A 59 2.032 17.004 6.963 1.00 0.00 H new ATOM 0 HA THR A 59 3.778 19.007 5.940 1.00 0.00 H new ATOM 0 HB THR A 59 2.152 19.423 7.558 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.158 20.543 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.387 18.524 10.010 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.123 17.233 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.759 17.545 9.440 1.00 0.00 H new ATOM 937 N GLN A 60 5.210 16.381 7.152 1.00 0.00 N ATOM 938 CA GLN A 60 6.495 15.756 7.480 1.00 0.00 C ATOM 939 C GLN A 60 7.232 15.234 6.235 1.00 0.00 C ATOM 940 O GLN A 60 7.753 14.124 6.216 1.00 0.00 O ATOM 941 CB GLN A 60 6.319 14.645 8.524 1.00 0.00 C ATOM 942 CG GLN A 60 5.799 15.168 9.873 1.00 0.00 C ATOM 943 CD GLN A 60 6.217 14.262 11.045 1.00 0.00 C ATOM 944 OE1 GLN A 60 6.893 13.253 10.885 1.00 0.00 O ATOM 945 NE2 GLN A 60 5.786 14.699 12.236 1.00 0.00 N ATOM 0 H GLN A 60 4.445 15.727 6.987 1.00 0.00 H new ATOM 0 HA GLN A 60 7.122 16.536 7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.626 13.898 8.138 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.275 14.144 8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.178 16.176 10.041 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.712 15.238 9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.226 15.549 12.295 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.018 14.181 13.084 1.00 0.00 H new ATOM 954 N GLY A 61 7.248 16.102 5.206 1.00 0.00 N ATOM 955 CA GLY A 61 7.919 15.746 3.960 1.00 0.00 C ATOM 956 C GLY A 61 7.036 14.855 3.077 1.00 0.00 C ATOM 957 O GLY A 61 5.986 14.373 3.488 1.00 0.00 O ATOM 0 H GLY A 61 6.816 17.026 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.181 16.653 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.851 15.228 4.184 1.00 0.00 H new ATOM 961 N GLU A 62 7.520 14.715 1.826 1.00 0.00 N ATOM 962 CA GLU A 62 6.866 13.900 0.832 1.00 0.00 C ATOM 963 C GLU A 62 7.313 12.441 0.981 1.00 0.00 C ATOM 964 O GLU A 62 8.496 12.130 1.025 1.00 0.00 O ATOM 965 CB GLU A 62 7.240 14.474 -0.531 1.00 0.00 C ATOM 966 CG GLU A 62 6.124 14.231 -1.532 1.00 0.00 C ATOM 967 CD GLU A 62 6.184 15.264 -2.660 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.131 15.230 -3.444 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.274 16.087 -2.753 1.00 0.00 O ATOM 0 H GLU A 62 8.372 15.169 1.497 1.00 0.00 H new ATOM 0 HA GLU A 62 5.782 13.911 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.431 15.543 -0.442 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.162 14.014 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.210 13.226 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.158 14.287 -1.030 1.00 0.00 H new ATOM 976 N VAL A 63 6.275 11.582 1.050 1.00 0.00 N ATOM 977 CA VAL A 63 6.472 10.153 1.236 1.00 0.00 C ATOM 978 C VAL A 63 5.570 9.383 0.260 1.00 0.00 C ATOM 979 O VAL A 63 4.898 9.962 -0.579 1.00 0.00 O ATOM 980 CB VAL A 63 6.102 9.812 2.695 1.00 0.00 C ATOM 981 CG1 VAL A 63 6.886 10.676 3.699 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.581 9.929 2.936 1.00 0.00 C ATOM 0 H VAL A 63 5.298 11.865 0.978 1.00 0.00 H new ATOM 0 HA VAL A 63 7.507 9.873 1.040 1.00 0.00 H new ATOM 0 HB VAL A 63 6.387 8.773 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.597 10.406 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.955 10.506 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.662 11.729 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.357 9.682 3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.257 10.949 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.054 9.239 2.277 1.00 0.00 H new ATOM 992 N VAL A 64 5.594 8.039 0.440 1.00 0.00 N ATOM 993 CA VAL A 64 4.734 7.136 -0.323 1.00 0.00 C ATOM 994 C VAL A 64 3.715 6.606 0.689 1.00 0.00 C ATOM 995 O VAL A 64 3.542 7.163 1.758 1.00 0.00 O ATOM 996 CB VAL A 64 5.555 6.078 -1.120 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.790 5.230 -2.148 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.608 6.796 -1.927 1.00 0.00 C ATOM 0 H VAL A 64 6.203 7.569 1.109 1.00 0.00 H new ATOM 0 HA VAL A 64 4.193 7.627 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 64 5.920 5.404 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.478 4.535 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.003 4.670 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.346 5.883 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.192 6.069 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.127 7.490 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.266 7.349 -1.257 1.00 0.00 H new ATOM 1008 N LYS A 65 3.044 5.531 0.288 1.00 0.00 N ATOM 1009 CA LYS A 65 2.070 4.818 1.102 1.00 0.00 C ATOM 1010 C LYS A 65 2.252 3.337 0.905 1.00 0.00 C ATOM 1011 O LYS A 65 2.853 2.937 -0.069 1.00 0.00 O ATOM 1012 CB LYS A 65 0.648 5.171 0.679 1.00 0.00 C ATOM 1013 CG LYS A 65 0.259 6.525 1.237 1.00 0.00 C ATOM 1014 CD LYS A 65 0.213 6.497 2.783 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.182 6.775 3.329 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.485 6.029 4.547 1.00 0.00 N ATOM 0 H LYS A 65 3.167 5.122 -0.638 1.00 0.00 H new ATOM 0 HA LYS A 65 2.223 5.101 2.143 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.576 5.183 -0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.045 4.409 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.974 7.278 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.716 6.817 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.551 5.523 3.136 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.909 7.238 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.280 7.842 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.919 6.526 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.447 6.262 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.422 5.009 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.802 6.284 5.289 1.00 0.00 H new ATOM 1030 N HIS A 66 1.643 2.549 1.816 1.00 0.00 N ATOM 1031 CA HIS A 66 1.745 1.112 1.668 1.00 0.00 C ATOM 1032 C HIS A 66 0.418 0.429 2.058 1.00 0.00 C ATOM 1033 O HIS A 66 0.180 0.124 3.221 1.00 0.00 O ATOM 1034 CB HIS A 66 2.851 0.596 2.605 1.00 0.00 C ATOM 1035 CG HIS A 66 4.214 0.940 2.068 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.103 1.723 2.711 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.780 0.505 0.864 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.183 1.763 1.918 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.019 1.038 0.794 1.00 0.00 N ATOM 0 H HIS A 66 1.105 2.877 2.618 1.00 0.00 H new ATOM 0 HA HIS A 66 1.974 0.881 0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.726 1.032 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.762 -0.484 2.718 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.314 -0.136 0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.082 2.313 2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.696 0.916 0.041 1.00 0.00 H new ATOM 1047 N TYR A 67 -0.387 0.147 1.018 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.672 -0.539 1.185 1.00 0.00 C ATOM 1049 C TYR A 67 -1.474 -1.921 0.544 1.00 0.00 C ATOM 1050 O TYR A 67 -1.654 -2.132 -0.644 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.774 0.199 0.414 1.00 0.00 C ATOM 1052 CG TYR A 67 -3.142 1.495 1.066 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.999 1.486 2.154 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.638 2.700 0.608 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -4.362 2.657 2.799 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.980 3.890 1.246 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.846 3.897 2.347 1.00 0.00 C ATOM 1058 OH TYR A 67 -4.133 5.168 2.872 1.00 0.00 O ATOM 0 H TYR A 67 -0.165 0.386 0.052 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.963 -0.589 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.439 0.388 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.657 -0.436 0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.393 0.545 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.978 2.718 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.035 2.625 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.571 4.822 0.886 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.866 5.200 3.814 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.151 -2.853 1.451 1.00 0.00 N ATOM 1069 CA LYS A 68 -0.867 -4.240 1.083 1.00 0.00 C ATOM 1070 C LYS A 68 -2.155 -5.033 0.719 1.00 0.00 C ATOM 1071 O LYS A 68 -3.112 -5.144 1.468 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.023 -4.973 2.148 1.00 0.00 C ATOM 1073 CG LYS A 68 -0.263 -4.543 3.593 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.738 -4.613 3.992 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.288 -6.041 4.069 1.00 0.00 C ATOM 1076 NZ LYS A 68 -1.900 -6.702 5.305 1.00 0.00 N ATOM 0 H LYS A 68 -1.081 -2.666 2.451 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.260 -4.194 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.220 -6.042 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.031 -4.825 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.320 -5.179 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.098 -3.524 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.866 -4.131 4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.327 -4.044 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.375 -6.016 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.924 -6.617 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.291 -7.666 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.863 -6.748 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.269 -6.166 6.116 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.102 -5.519 -0.530 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.135 -6.366 -1.136 1.00 0.00 C ATOM 1092 C ILE A 69 -2.819 -7.843 -0.891 1.00 0.00 C ATOM 1093 O ILE A 69 -1.766 -8.356 -1.241 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.388 -6.081 -2.632 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.177 -5.591 -3.400 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.627 -5.290 -2.947 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -1.990 -4.082 -3.388 1.00 0.00 C ATOM 0 H ILE A 69 -1.322 -5.329 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.071 -6.111 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.597 -7.081 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.285 -6.058 -2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.259 -5.926 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.704 -5.149 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.504 -5.829 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.572 -4.318 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.100 -3.821 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.862 -3.604 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.873 -3.738 -2.360 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.823 -8.473 -0.254 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.773 -9.892 0.051 1.00 0.00 C ATOM 1111 C ARG A 70 -4.542 -10.602 -1.042 1.00 0.00 C ATOM 1112 O ARG A 70 -5.517 -10.071 -1.536 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.393 -10.163 1.412 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.319 -10.042 2.497 1.00 0.00 C ATOM 1115 CD ARG A 70 -3.631 -11.096 3.548 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.014 -10.761 4.830 1.00 0.00 N ATOM 1117 CZ ARG A 70 -2.506 -11.661 5.702 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -2.530 -12.963 5.451 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -1.971 -11.240 6.842 1.00 0.00 N ATOM 0 H ARG A 70 -4.677 -8.009 0.056 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.744 -10.249 0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.199 -9.455 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.833 -11.160 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.326 -10.199 2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.325 -9.045 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.711 -11.182 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.271 -12.068 3.211 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.963 -9.775 5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.939 -13.307 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.140 -13.620 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.945 -10.243 7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.586 -11.914 7.504 1.00 0.00 H new ATOM 1133 N SER A 71 -4.066 -11.818 -1.368 1.00 0.00 N ATOM 1134 CA SER A 71 -4.694 -12.607 -2.422 1.00 0.00 C ATOM 1135 C SER A 71 -5.382 -13.814 -1.796 1.00 0.00 C ATOM 1136 O SER A 71 -4.777 -14.690 -1.193 1.00 0.00 O ATOM 1137 CB SER A 71 -3.672 -13.071 -3.466 1.00 0.00 C ATOM 1138 OG SER A 71 -2.598 -13.612 -2.570 1.00 0.00 O ATOM 0 H SER A 71 -3.263 -12.262 -0.921 1.00 0.00 H new ATOM 0 HA SER A 71 -5.425 -11.980 -2.934 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.077 -13.831 -4.134 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.317 -12.252 -4.092 1.00 0.00 H new ATOM 0 HG SER A 71 -3.008 -14.089 -1.819 1.00 0.00 H new ATOM 1144 N LEU A 72 -6.715 -13.734 -1.942 1.00 0.00 N ATOM 1145 CA LEU A 72 -7.610 -14.736 -1.417 1.00 0.00 C ATOM 1146 C LEU A 72 -7.959 -15.750 -2.482 1.00 0.00 C ATOM 1147 O LEU A 72 -8.097 -15.436 -3.660 1.00 0.00 O ATOM 1148 CB LEU A 72 -8.848 -14.062 -0.816 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.544 -12.712 -0.189 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.285 -12.802 0.694 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.581 -11.579 -1.244 1.00 0.00 C ATOM 0 H LEU A 72 -7.185 -12.970 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.115 -15.285 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.599 -13.933 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.281 -14.718 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.334 -12.425 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.080 -11.827 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.448 -13.533 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.435 -13.110 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.359 -10.626 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.838 -11.777 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.572 -11.535 -1.696 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.146 -16.969 -1.949 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.507 -18.095 -2.807 1.00 0.00 C ATOM 1165 C ASP A 73 -9.881 -17.915 -3.471 1.00 0.00 C ATOM 1166 O ASP A 73 -10.137 -18.426 -4.556 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.587 -19.397 -2.003 1.00 0.00 C ATOM 1168 CG ASP A 73 -9.571 -19.334 -0.816 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.188 -18.848 0.247 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -10.711 -19.769 -0.977 1.00 0.00 O ATOM 0 H ASP A 73 -8.055 -17.191 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.726 -18.138 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.886 -20.207 -2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.594 -19.643 -1.627 1.00 0.00 H new ATOM 1175 N ASN A 74 -10.718 -17.124 -2.767 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.070 -16.879 -3.239 1.00 0.00 C ATOM 1177 C ASN A 74 -12.499 -15.435 -2.939 1.00 0.00 C ATOM 1178 O ASN A 74 -13.624 -15.146 -2.551 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.047 -17.867 -2.573 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.090 -17.801 -1.028 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.583 -16.884 -0.396 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.733 -18.836 -0.466 1.00 0.00 N ATOM 0 H ASN A 74 -10.476 -16.660 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.090 -17.027 -4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.049 -17.679 -2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.776 -18.880 -2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.822 -18.891 0.549 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.133 -19.568 -1.053 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.506 -14.561 -3.179 1.00 0.00 N ATOM 1190 CA GLY A 75 -11.733 -13.138 -2.948 1.00 0.00 C ATOM 1191 C GLY A 75 -10.789 -12.200 -3.699 1.00 0.00 C ATOM 1192 O GLY A 75 -10.775 -11.006 -3.456 1.00 0.00 O ATOM 0 H GLY A 75 -10.577 -14.808 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.758 -12.899 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.643 -12.940 -1.880 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.006 -12.787 -4.617 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.075 -12.047 -5.454 1.00 0.00 C ATOM 1198 C GLY A 76 -8.032 -11.236 -4.704 1.00 0.00 C ATOM 1199 O GLY A 76 -6.975 -11.741 -4.362 1.00 0.00 O ATOM 0 H GLY A 76 -10.008 -13.792 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.562 -12.751 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.644 -11.373 -6.094 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.428 -9.970 -4.426 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.570 -9.028 -3.734 1.00 0.00 C ATOM 1205 C TYR A 77 -8.437 -8.215 -2.785 1.00 0.00 C ATOM 1206 O TYR A 77 -9.595 -7.931 -3.051 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.834 -8.103 -4.716 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.883 -8.871 -5.573 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.642 -9.245 -5.088 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.243 -9.200 -6.863 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -3.767 -9.962 -5.898 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.388 -9.890 -7.695 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.123 -10.261 -7.220 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.221 -10.908 -8.053 1.00 0.00 O ATOM 0 H TYR A 77 -9.342 -9.595 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.805 -9.574 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.559 -7.586 -5.345 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.291 -7.338 -4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.353 -8.981 -4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.217 -8.910 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.814 -10.288 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.689 -10.142 -8.701 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.307 -10.657 -7.803 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.790 -7.875 -1.650 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.483 -7.099 -0.609 1.00 0.00 C ATOM 1226 C TYR A 78 -7.465 -6.306 0.212 1.00 0.00 C ATOM 1227 O TYR A 78 -6.344 -6.750 0.432 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.372 -7.992 0.301 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.779 -8.439 1.633 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.851 -7.581 2.733 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.195 -9.699 1.821 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.358 -7.936 3.977 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.723 -10.076 3.081 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.799 -9.202 4.171 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.310 -9.588 5.416 1.00 0.00 O ATOM 0 H TYR A 78 -6.822 -8.117 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.158 -6.402 -1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.295 -7.451 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.645 -8.884 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.306 -6.609 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.109 -10.382 0.988 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.405 -7.235 4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.293 -11.057 3.216 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.960 -10.502 5.361 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.886 -5.050 0.515 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.978 -4.195 1.331 1.00 0.00 C ATOM 1247 C ILE A 79 -7.689 -3.830 2.635 1.00 0.00 C ATOM 1248 O ILE A 79 -7.149 -3.955 3.728 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.392 -2.954 0.616 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.325 -2.425 -0.425 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.005 -3.117 0.031 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.776 -1.171 -1.144 1.00 0.00 C ATOM 0 H ILE A 79 -8.773 -4.630 0.235 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.089 -4.792 1.532 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.279 -2.231 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.519 -3.204 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.280 -2.182 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.699 -2.185 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.302 -3.368 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.014 -3.916 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.497 -0.833 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.608 -0.378 -0.415 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.835 -1.417 -1.636 1.00 0.00 H new ATOM 1264 N SER A 80 -8.962 -3.451 2.431 1.00 0.00 N ATOM 1265 CA SER A 80 -9.836 -3.099 3.519 1.00 0.00 C ATOM 1266 C SER A 80 -10.898 -4.189 3.369 1.00 0.00 C ATOM 1267 O SER A 80 -11.468 -4.333 2.300 1.00 0.00 O ATOM 1268 CB SER A 80 -10.478 -1.686 3.318 1.00 0.00 C ATOM 1269 OG SER A 80 -9.632 -0.477 3.158 1.00 0.00 O ATOM 0 H SER A 80 -9.394 -3.386 1.509 1.00 0.00 H new ATOM 0 HA SER A 80 -9.344 -3.045 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.116 -1.748 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.131 -1.508 4.172 1.00 0.00 H new ATOM 0 HG SER A 80 -10.205 0.310 3.042 1.00 0.00 H new ATOM 1275 N PRO A 81 -11.177 -4.943 4.472 1.00 0.00 N ATOM 1276 CA PRO A 81 -12.106 -6.068 4.399 1.00 0.00 C ATOM 1277 C PRO A 81 -13.566 -5.709 4.142 1.00 0.00 C ATOM 1278 O PRO A 81 -14.400 -6.586 3.949 1.00 0.00 O ATOM 1279 CB PRO A 81 -12.040 -6.678 5.811 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.992 -5.935 6.619 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.526 -4.792 5.757 1.00 0.00 C ATOM 0 HA PRO A 81 -11.815 -6.705 3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.012 -6.606 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.790 -7.737 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.411 -5.569 7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.161 -6.592 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.784 -3.835 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.442 -4.809 5.645 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.811 -4.389 4.056 1.00 0.00 N ATOM 1290 CA ARG A 82 -15.168 -3.973 3.743 1.00 0.00 C ATOM 1291 C ARG A 82 -15.381 -3.982 2.208 1.00 0.00 C ATOM 1292 O ARG A 82 -16.501 -3.870 1.735 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.439 -2.565 4.280 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.363 -1.529 3.935 1.00 0.00 C ATOM 1295 CD ARG A 82 -13.590 -1.112 5.183 1.00 0.00 C ATOM 1296 NE ARG A 82 -12.906 0.164 4.967 1.00 0.00 N ATOM 1297 CZ ARG A 82 -13.584 1.332 4.971 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -14.887 1.357 5.224 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -12.953 2.471 4.721 1.00 0.00 N ATOM 0 H ARG A 82 -13.129 -3.643 4.191 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.858 -4.672 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.396 -2.219 3.888 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.539 -2.618 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.675 -1.944 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.827 -0.654 3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.273 -1.025 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.862 -1.881 5.440 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.898 0.171 4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.386 0.489 5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.389 2.245 5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.952 2.467 4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.469 3.351 4.725 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.241 -4.175 1.487 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.153 -4.192 0.034 1.00 0.00 C ATOM 1315 C ILE A 83 -12.979 -5.083 -0.523 1.00 0.00 C ATOM 1316 O ILE A 83 -11.772 -4.891 -0.303 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.180 -2.792 -0.533 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -13.096 -1.934 0.058 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.519 -2.084 -0.334 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.201 -0.553 -0.611 1.00 0.00 C ATOM 0 H ILE A 83 -13.338 -4.326 1.936 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.050 -4.694 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.016 -2.920 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.217 -1.850 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.115 -2.375 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.469 -1.084 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.308 -2.652 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.737 -2.010 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.430 0.105 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.065 -0.659 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.183 -0.125 -0.410 1.00 0.00 H new ATOM 1332 N THR A 84 -13.512 -6.102 -1.238 1.00 0.00 N ATOM 1333 CA THR A 84 -12.721 -7.125 -1.908 1.00 0.00 C ATOM 1334 C THR A 84 -13.040 -7.025 -3.427 1.00 0.00 C ATOM 1335 O THR A 84 -14.100 -6.548 -3.820 1.00 0.00 O ATOM 1336 CB THR A 84 -13.236 -8.464 -1.314 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.713 -8.505 0.079 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.097 -9.510 -1.383 1.00 0.00 C ATOM 0 H THR A 84 -14.517 -6.225 -1.358 1.00 0.00 H new ATOM 0 HA THR A 84 -11.643 -7.030 -1.774 1.00 0.00 H new ATOM 0 HB THR A 84 -14.117 -8.652 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.003 -9.415 0.299 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.446 -10.456 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.800 -9.656 -2.421 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.242 -9.155 -0.808 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.087 -7.533 -4.240 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.221 -7.492 -5.704 1.00 0.00 C ATOM 1348 C PHE A 85 -11.702 -8.822 -6.285 1.00 0.00 C ATOM 1349 O PHE A 85 -11.031 -9.557 -5.588 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.440 -6.266 -6.217 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.107 -5.000 -5.747 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.245 -4.526 -6.395 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.628 -4.303 -4.639 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.901 -3.385 -5.944 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.290 -3.168 -4.191 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.430 -2.704 -4.830 1.00 0.00 C ATOM 0 H PHE A 85 -11.228 -7.970 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.258 -7.386 -6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.412 -6.302 -5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.396 -6.282 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.623 -5.051 -7.259 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.741 -4.646 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.779 -3.028 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.911 -2.637 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.943 -1.826 -4.466 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.017 -9.129 -7.575 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.531 -10.365 -8.206 1.00 0.00 C ATOM 1368 C PRO A 86 -10.065 -10.252 -8.657 1.00 0.00 C ATOM 1369 O PRO A 86 -9.271 -11.157 -8.437 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.418 -10.531 -9.467 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.318 -9.289 -9.570 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.060 -8.440 -8.328 1.00 0.00 C ATOM 0 HA PRO A 86 -11.583 -11.199 -7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.800 -10.631 -10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.021 -11.436 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.093 -8.725 -10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.367 -9.578 -9.627 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.742 -7.434 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.967 -8.336 -7.732 1.00 0.00 H new ATOM 1380 N THR A 87 -9.746 -9.094 -9.267 1.00 0.00 N ATOM 1381 CA THR A 87 -8.371 -8.866 -9.713 1.00 0.00 C ATOM 1382 C THR A 87 -8.065 -7.455 -9.283 1.00 0.00 C ATOM 1383 O THR A 87 -8.930 -6.713 -8.827 1.00 0.00 O ATOM 1384 CB THR A 87 -8.181 -8.931 -11.272 1.00 0.00 C ATOM 1385 OG1 THR A 87 -6.893 -8.707 -11.955 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.174 -7.994 -11.946 1.00 0.00 C ATOM 0 H THR A 87 -10.398 -8.332 -9.454 1.00 0.00 H new ATOM 0 HA THR A 87 -7.727 -9.639 -9.293 1.00 0.00 H new ATOM 0 HB THR A 87 -8.314 -10.007 -11.387 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.016 -8.800 -12.923 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.041 -8.040 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.190 -8.297 -11.692 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.003 -6.974 -11.602 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.799 -7.091 -9.546 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.489 -5.762 -9.113 1.00 0.00 C ATOM 1396 C LEU A 88 -7.092 -4.744 -10.043 1.00 0.00 C ATOM 1397 O LEU A 88 -7.243 -3.639 -9.594 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.994 -5.436 -9.183 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.116 -6.170 -8.188 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.705 -5.631 -8.283 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.577 -5.889 -6.768 1.00 0.00 C ATOM 0 H LEU A 88 -6.067 -7.636 -10.001 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.868 -5.721 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.638 -5.660 -10.189 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.867 -4.364 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.168 -7.235 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.067 -6.154 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.324 -5.785 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.707 -4.565 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.937 -6.423 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.518 -4.818 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.607 -6.224 -6.647 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.429 -5.055 -11.307 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.963 -3.918 -12.091 1.00 0.00 C ATOM 1415 C GLN A 89 -9.314 -3.420 -11.550 1.00 0.00 C ATOM 1416 O GLN A 89 -9.621 -2.240 -11.632 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.933 -4.085 -13.622 1.00 0.00 C ATOM 1418 CG GLN A 89 -8.083 -5.507 -14.160 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.529 -5.837 -14.575 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -9.823 -6.038 -15.744 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -10.415 -5.858 -13.571 1.00 0.00 N ATOM 0 H GLN A 89 -7.358 -5.962 -11.768 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.241 -3.118 -11.928 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.730 -3.475 -14.047 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.991 -3.680 -13.990 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.424 -5.637 -15.019 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.758 -6.215 -13.398 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.107 -5.682 -12.615 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.398 -6.050 -13.762 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.081 -4.369 -10.971 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.379 -4.014 -10.410 1.00 0.00 C ATOM 1432 C ALA A 90 -11.199 -3.289 -9.060 1.00 0.00 C ATOM 1433 O ALA A 90 -12.073 -2.578 -8.588 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.164 -5.317 -10.196 1.00 0.00 C ATOM 0 H ALA A 90 -9.825 -5.353 -10.886 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.912 -3.346 -11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.143 -5.087 -9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.290 -5.827 -11.151 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.617 -5.963 -9.509 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.006 -3.501 -8.474 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.663 -2.839 -7.228 1.00 0.00 C ATOM 1442 C LEU A 91 -9.303 -1.369 -7.540 1.00 0.00 C ATOM 1443 O LEU A 91 -9.857 -0.445 -6.962 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.564 -3.679 -6.540 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.562 -2.923 -5.648 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.062 -3.741 -4.457 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.334 -2.431 -6.420 1.00 0.00 C ATOM 0 H LEU A 91 -9.283 -4.117 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.485 -2.783 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.051 -4.441 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.002 -4.201 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.138 -2.074 -5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.360 -3.144 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.907 -4.023 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.562 -4.640 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.663 -1.906 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.813 -3.283 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.650 -1.754 -7.213 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.474 -1.230 -8.599 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.912 0.041 -9.043 1.00 0.00 C ATOM 1461 C VAL A 92 -9.009 0.927 -9.712 1.00 0.00 C ATOM 1462 O VAL A 92 -8.958 2.138 -9.578 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.700 -0.241 -9.990 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.580 0.780 -10.013 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.860 -1.470 -9.674 1.00 0.00 C ATOM 0 H VAL A 92 -8.179 -2.020 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.545 0.608 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.291 -0.294 -10.904 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.808 0.457 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.974 1.746 -10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.151 0.872 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.053 -1.556 -10.401 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.439 -1.375 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.486 -2.361 -9.721 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.008 0.263 -10.372 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.139 0.867 -11.095 1.00 0.00 C ATOM 1477 C GLN A 93 -12.019 1.624 -10.056 1.00 0.00 C ATOM 1478 O GLN A 93 -12.344 2.789 -10.225 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.042 -0.105 -11.896 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.184 -0.829 -11.182 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.993 -1.594 -12.236 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.811 -2.782 -12.460 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.878 -0.818 -12.877 1.00 0.00 N ATOM 0 H GLN A 93 -10.034 -0.756 -10.407 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.693 1.516 -11.849 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.477 0.458 -12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.396 -0.866 -12.334 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.790 -1.515 -10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.820 -0.115 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.967 0.167 -12.628 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.462 -1.212 -13.614 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.236 0.918 -8.922 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.107 1.471 -7.883 1.00 0.00 C ATOM 1494 C HIS A 94 -12.394 2.662 -7.230 1.00 0.00 C ATOM 1495 O HIS A 94 -12.980 3.722 -7.041 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.425 0.369 -6.854 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.530 0.825 -5.925 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.333 1.548 -4.799 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -15.912 0.606 -6.071 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.556 1.765 -4.281 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.528 1.208 -5.026 1.00 0.00 N ATOM 0 H HIS A 94 -11.835 0.003 -8.716 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.049 1.820 -8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.726 -0.543 -7.369 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.531 0.130 -6.278 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.393 0.059 -6.869 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.736 2.321 -3.373 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.531 1.234 -4.840 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.084 2.451 -6.981 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.264 3.532 -6.430 1.00 0.00 C ATOM 1511 C TYR A 95 -9.981 4.620 -7.485 1.00 0.00 C ATOM 1512 O TYR A 95 -9.471 5.682 -7.136 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.952 3.052 -5.813 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.187 2.233 -4.583 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.809 2.741 -3.449 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.772 0.926 -4.585 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.045 1.935 -2.350 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -8.955 0.107 -3.505 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.590 0.624 -2.362 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.758 -0.090 -1.200 1.00 0.00 O ATOM 0 H TYR A 95 -10.592 1.573 -7.148 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.858 3.959 -5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.401 2.461 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.330 3.912 -5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.112 3.777 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.286 0.532 -5.465 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.577 2.321 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.618 -0.919 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.598 -1.041 -1.374 1.00 0.00 H new ATOM 1530 N SER A 96 -10.300 4.310 -8.781 1.00 0.00 N ATOM 1531 CA SER A 96 -10.054 5.339 -9.799 1.00 0.00 C ATOM 1532 C SER A 96 -11.174 6.383 -9.826 1.00 0.00 C ATOM 1533 O SER A 96 -11.093 7.340 -10.584 1.00 0.00 O ATOM 1534 CB SER A 96 -10.012 4.778 -11.274 1.00 0.00 C ATOM 1535 OG SER A 96 -9.052 3.744 -11.713 1.00 0.00 O ATOM 0 H SER A 96 -10.694 3.429 -9.110 1.00 0.00 H new ATOM 0 HA SER A 96 -9.088 5.754 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.007 4.386 -11.485 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.863 5.637 -11.928 1.00 0.00 H new ATOM 0 HG SER A 96 -9.015 3.027 -11.046 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.224 6.149 -9.013 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.259 7.171 -8.988 1.00 0.00 C ATOM 1543 C LYS A 97 -13.283 7.925 -7.701 1.00 0.00 C ATOM 1544 O LYS A 97 -13.522 9.131 -7.707 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.626 6.387 -9.175 1.00 0.00 C ATOM 1546 CG LYS A 97 -15.059 6.082 -10.615 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.112 5.138 -11.355 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.817 4.281 -12.417 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.520 3.154 -11.808 1.00 0.00 N ATOM 0 H LYS A 97 -12.365 5.333 -8.418 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.081 7.912 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.552 5.443 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.417 6.966 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.057 5.643 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.131 7.018 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.327 5.723 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.626 4.482 -10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.524 4.896 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.084 3.911 -13.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.986 2.594 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.840 2.555 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -16.235 3.510 -11.142 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.083 7.199 -6.614 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.068 7.823 -5.305 1.00 0.00 C ATOM 1565 C LYS A 98 -12.248 6.937 -4.352 1.00 0.00 C ATOM 1566 O LYS A 98 -12.234 5.719 -4.458 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.466 8.187 -4.864 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.203 6.943 -4.407 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.317 6.790 -2.933 1.00 0.00 C ATOM 1570 CE LYS A 98 -15.850 8.004 -2.236 1.00 0.00 C ATOM 1571 NZ LYS A 98 -16.472 7.648 -0.972 1.00 0.00 N ATOM 0 H LYS A 98 -12.931 6.190 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.560 8.788 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.423 8.914 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.005 8.658 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.205 6.954 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -14.694 6.068 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.967 5.943 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.335 6.551 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.040 8.712 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.577 8.505 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -17.505 7.728 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.220 6.670 -0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.137 8.291 -0.227 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.580 7.637 -3.414 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.746 6.993 -2.408 1.00 0.00 C ATOM 1587 C GLY A 99 -11.539 5.957 -1.601 1.00 0.00 C ATOM 1588 O GLY A 99 -11.224 4.778 -1.627 1.00 0.00 O ATOM 0 H GLY A 99 -11.609 8.654 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.899 6.508 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.339 7.747 -1.734 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.532 6.459 -0.848 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.418 5.638 -0.019 1.00 0.00 C ATOM 1594 C ASP A 100 -12.836 5.194 1.339 1.00 0.00 C ATOM 1595 O ASP A 100 -13.538 5.059 2.334 1.00 0.00 O ATOM 1596 CB ASP A 100 -13.994 4.464 -0.846 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.349 3.941 -0.355 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.431 3.354 0.724 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.317 4.144 -1.076 1.00 0.00 O ATOM 0 H ASP A 100 -12.741 7.456 -0.800 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.238 6.292 0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.097 4.784 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.277 3.643 -0.835 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.521 5.007 1.298 1.00 0.00 N ATOM 1605 CA GLY A 101 -10.777 4.568 2.474 1.00 0.00 C ATOM 1606 C GLY A 101 -9.269 4.827 2.406 1.00 0.00 C ATOM 1607 O GLY A 101 -8.586 4.720 3.417 1.00 0.00 O ATOM 0 H GLY A 101 -10.949 5.152 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.180 5.072 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.943 3.500 2.615 1.00 0.00 H new ATOM 1611 N LEU A 102 -8.779 5.163 1.191 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.365 5.441 1.029 1.00 0.00 C ATOM 1613 C LEU A 102 -7.104 6.931 1.306 1.00 0.00 C ATOM 1614 O LEU A 102 -8.005 7.703 1.612 1.00 0.00 O ATOM 1615 CB LEU A 102 -6.888 5.059 -0.379 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.346 3.675 -0.862 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.782 3.421 -2.262 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -6.910 2.545 0.091 1.00 0.00 C ATOM 0 H LEU A 102 -9.337 5.242 0.341 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.801 4.839 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.244 5.810 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.799 5.093 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.436 3.673 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.103 2.440 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.147 4.187 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.693 3.455 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.259 1.588 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.823 2.532 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.340 2.715 1.078 1.00 0.00 H new ATOM 1630 N CYS A 103 -5.811 7.269 1.175 1.00 0.00 N ATOM 1631 CA CYS A 103 -5.369 8.637 1.419 1.00 0.00 C ATOM 1632 C CYS A 103 -5.799 9.573 0.278 1.00 0.00 C ATOM 1633 O CYS A 103 -6.381 10.625 0.508 1.00 0.00 O ATOM 1634 CB CYS A 103 -3.842 8.669 1.570 1.00 0.00 C ATOM 1635 SG CYS A 103 -2.953 7.843 0.218 1.00 0.00 S ATOM 0 H CYS A 103 -5.070 6.621 0.906 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.837 8.987 2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -3.514 9.707 1.627 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -3.570 8.196 2.514 1.00 0.00 H new ATOM 0 HG CYS A 103 -1.757 8.342 0.117 1.00 0.00 H new ATOM 1641 N GLN A 104 -5.461 9.135 -0.952 1.00 0.00 N ATOM 1642 CA GLN A 104 -5.775 9.875 -2.140 1.00 0.00 C ATOM 1643 C GLN A 104 -5.976 8.823 -3.226 1.00 0.00 C ATOM 1644 O GLN A 104 -5.152 7.962 -3.502 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.551 10.751 -2.505 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.338 11.996 -1.608 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.397 13.324 -2.387 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -4.732 13.380 -3.564 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.041 14.390 -1.653 1.00 0.00 N ATOM 0 H GLN A 104 -4.966 8.260 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.650 10.513 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.655 10.132 -2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.657 11.082 -3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.098 12.007 -0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.371 11.917 -1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.773 14.270 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.039 15.320 -2.072 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.112 9.075 -3.879 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.591 8.289 -4.984 1.00 0.00 C ATOM 1660 C LYS A 105 -6.627 8.538 -6.152 1.00 0.00 C ATOM 1661 O LYS A 105 -5.809 9.449 -6.143 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.050 8.621 -5.328 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.304 9.734 -6.345 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.299 11.089 -5.766 1.00 0.00 C ATOM 1665 CE LYS A 105 -10.637 11.674 -5.431 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.614 12.780 -4.475 1.00 0.00 N ATOM 0 H LYS A 105 -7.728 9.852 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.603 7.228 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.522 7.712 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.560 8.889 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.544 9.680 -7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.266 9.559 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.697 11.070 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.799 11.758 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.104 12.022 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.271 10.883 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.584 13.115 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.202 12.455 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.040 13.558 -4.858 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.855 7.718 -7.170 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.007 7.716 -8.351 1.00 0.00 C ATOM 1682 C LEU A 106 -6.339 8.860 -9.290 1.00 0.00 C ATOM 1683 O LEU A 106 -7.478 9.061 -9.700 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.145 6.402 -9.159 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.197 5.151 -8.279 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.769 3.842 -8.957 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.340 5.323 -7.058 1.00 0.00 C ATOM 0 H LEU A 106 -7.621 7.046 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.989 7.822 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.050 6.450 -9.764 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.305 6.318 -9.848 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.255 5.056 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.844 3.021 -8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.420 3.643 -9.808 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.739 3.930 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.392 4.422 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.307 5.498 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.698 6.175 -6.479 1.00 0.00 H new ATOM 1699 N THR A 107 -5.246 9.583 -9.581 1.00 0.00 N ATOM 1700 CA THR A 107 -5.341 10.715 -10.490 1.00 0.00 C ATOM 1701 C THR A 107 -4.542 10.431 -11.780 1.00 0.00 C ATOM 1702 O THR A 107 -5.111 10.347 -12.860 1.00 0.00 O ATOM 1703 CB THR A 107 -4.911 12.032 -9.836 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.465 11.882 -9.549 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.717 12.183 -8.521 1.00 0.00 C ATOM 0 H THR A 107 -4.314 9.404 -9.207 1.00 0.00 H new ATOM 0 HA THR A 107 -6.391 10.840 -10.753 1.00 0.00 H new ATOM 0 HB THR A 107 -5.089 12.908 -10.460 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.128 12.700 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.436 13.113 -8.027 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.783 12.200 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.500 11.342 -7.863 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.212 10.271 -11.596 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.309 10.010 -12.720 1.00 0.00 C ATOM 1715 C LEU A 108 -1.291 8.930 -12.322 1.00 0.00 C ATOM 1716 O LEU A 108 -0.317 9.259 -11.666 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.558 11.249 -13.182 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.439 12.275 -13.925 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.270 13.722 -13.437 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.179 12.210 -15.435 1.00 0.00 C ATOM 0 H LEU A 108 -2.752 10.319 -10.687 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.930 9.676 -13.551 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.107 11.732 -12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.742 10.944 -13.837 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.467 11.991 -13.701 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.924 14.378 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.531 13.783 -12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.234 14.033 -13.573 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.808 12.940 -15.944 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.131 12.433 -15.634 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.413 11.211 -15.802 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.530 7.642 -12.699 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.646 6.517 -12.356 1.00 0.00 C ATOM 1734 C PRO A 109 0.732 6.655 -13.012 1.00 0.00 C ATOM 1735 O PRO A 109 0.999 6.072 -14.052 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.315 5.243 -12.904 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.560 5.737 -13.643 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.626 7.276 -13.548 1.00 0.00 C ATOM 0 HA PRO A 109 -0.502 6.488 -11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.646 4.703 -13.574 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.580 4.558 -12.098 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.526 5.426 -14.687 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.456 5.295 -13.208 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.534 7.737 -14.532 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.577 7.605 -13.129 1.00 0.00 H new ATOM 1746 N CYS A 110 1.559 7.424 -12.282 1.00 0.00 N ATOM 1747 CA CYS A 110 2.964 7.774 -12.554 1.00 0.00 C ATOM 1748 C CYS A 110 3.291 7.876 -14.075 1.00 0.00 C ATOM 1749 O CYS A 110 3.147 6.919 -14.823 1.00 0.00 O ATOM 1750 CB CYS A 110 3.922 6.842 -11.792 1.00 0.00 C ATOM 1751 SG CYS A 110 4.952 7.703 -10.582 1.00 0.00 S ATOM 0 H CYS A 110 1.235 7.852 -11.415 1.00 0.00 H new ATOM 0 HA CYS A 110 3.121 8.782 -12.171 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.340 6.074 -11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.566 6.331 -12.508 1.00 0.00 H new ATOM 0 HG CYS A 110 5.825 8.441 -11.202 1.00 0.00 H new ATOM 1757 N VAL A 111 3.834 9.026 -14.505 1.00 0.00 N ATOM 1758 CA VAL A 111 4.119 9.131 -15.932 1.00 0.00 C ATOM 1759 C VAL A 111 5.353 8.255 -16.214 1.00 0.00 C ATOM 1760 O VAL A 111 6.292 8.195 -15.431 1.00 0.00 O ATOM 1761 CB VAL A 111 4.377 10.604 -16.313 1.00 0.00 C ATOM 1762 CG1 VAL A 111 3.181 11.502 -15.956 1.00 0.00 C ATOM 1763 CG2 VAL A 111 5.671 11.160 -15.685 1.00 0.00 C ATOM 0 H VAL A 111 4.068 9.836 -13.931 1.00 0.00 H new ATOM 0 HA VAL A 111 3.275 8.789 -16.530 1.00 0.00 H new ATOM 0 HB VAL A 111 4.506 10.616 -17.395 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.401 12.531 -16.240 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.296 11.159 -16.492 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.997 11.453 -14.883 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.804 12.199 -15.986 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.602 11.102 -14.599 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.523 10.572 -16.026 1.00 0.00 H new ATOM 1773 N ASN A 112 5.250 7.543 -17.359 1.00 0.00 N ATOM 1774 CA ASN A 112 6.329 6.645 -17.766 1.00 0.00 C ATOM 1775 C ASN A 112 7.624 7.449 -17.975 1.00 0.00 C ATOM 1776 O ASN A 112 7.616 8.647 -18.237 1.00 0.00 O ATOM 1777 CB ASN A 112 5.955 5.973 -19.101 1.00 0.00 C ATOM 1778 CG ASN A 112 4.799 4.979 -18.932 1.00 0.00 C ATOM 1779 OD1 ASN A 112 4.590 4.412 -17.869 1.00 0.00 O ATOM 1780 ND2 ASN A 112 4.076 4.787 -20.046 1.00 0.00 N ATOM 0 H ASN A 112 4.452 7.576 -17.994 1.00 0.00 H new ATOM 0 HA ASN A 112 6.478 5.894 -16.990 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.675 6.737 -19.827 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.825 5.454 -19.504 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.294 4.132 -20.040 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.308 5.296 -20.899 1.00 0.00 H new ATOM 1787 N LEU A 113 8.729 6.694 -17.847 1.00 0.00 N ATOM 1788 CA LEU A 113 10.044 7.300 -17.999 1.00 0.00 C ATOM 1789 C LEU A 113 10.423 7.408 -19.483 1.00 0.00 C ATOM 1790 O LEU A 113 10.886 6.455 -20.097 1.00 0.00 O ATOM 1791 CB LEU A 113 11.072 6.453 -17.238 1.00 0.00 C ATOM 1792 CG LEU A 113 12.368 7.223 -16.946 1.00 0.00 C ATOM 1793 CD1 LEU A 113 12.106 8.416 -16.010 1.00 0.00 C ATOM 1794 CD2 LEU A 113 13.434 6.276 -16.375 1.00 0.00 C ATOM 0 H LEU A 113 8.732 5.694 -17.645 1.00 0.00 H new ATOM 0 HA LEU A 113 10.029 8.309 -17.588 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.635 6.114 -16.299 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.306 5.562 -17.820 1.00 0.00 H new ATOM 0 HG LEU A 113 12.748 7.630 -17.883 1.00 0.00 H new ATOM 0 HD11 LEU A 113 13.042 8.942 -15.821 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.395 9.097 -16.478 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.696 8.055 -15.067 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.347 6.836 -16.173 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.068 5.832 -15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.644 5.487 -17.097 1.00 0.00 H new ATOM 1806 N ALA A 114 10.182 8.626 -20.012 1.00 0.00 N ATOM 1807 CA ALA A 114 10.495 8.884 -21.413 1.00 0.00 C ATOM 1808 C ALA A 114 12.027 8.959 -21.616 1.00 0.00 C ATOM 1809 O ALA A 114 12.554 8.195 -22.423 1.00 0.00 O ATOM 1810 CB ALA A 114 9.796 10.174 -21.866 1.00 0.00 C ATOM 1811 OXT ALA A 114 12.673 9.773 -20.954 1.00 0.00 O ATOM 0 H ALA A 114 9.785 9.415 -19.502 1.00 0.00 H new ATOM 0 HA ALA A 114 10.126 8.064 -22.029 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.030 10.366 -22.913 1.00 0.00 H new ATOM 0 HB2 ALA A 114 8.718 10.064 -21.750 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.143 11.009 -21.257 1.00 0.00 H new TER 1817 ALA A 114