USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 761 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 77 MET CE :methyl 167:sc= -12.5! (180deg=-11.6!) USER MOD Set 2.2: A 81 ASN : amide:sc= -0.301 K(o=-13,f=-12) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 147:sc= -0.0608 (180deg=-0.904) USER MOD Set 3.2: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00459 X(o=-0.0046,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.5!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.513 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.011) USER MOD Single : A 28 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.45) USER MOD Single : A 31 ASN : amide:sc= -0.113 K(o=-0.11,f=-1) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -9.64! C(o=-9.6!,f=-15!) USER MOD Single : A 48 TYR OH : rot -136:sc= -0.927 USER MOD Single : A 50 MET CE :methyl -140:sc= -4.4! (180deg=-7.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 61 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2.7!) USER MOD Single : A 65 TYR OH : rot -26:sc=-0.00739 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 130:sc= -0.444 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0.497 USER MOD Single : A 97 THR OG1 : rot 14:sc= 1.1 USER MOD Single : A 100 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.439 2.300 21.465 1.00 0.00 N ATOM 2 CA MET A 1 -18.144 2.714 20.264 1.00 0.00 C ATOM 3 C MET A 1 -17.495 3.955 19.647 1.00 0.00 C ATOM 4 O MET A 1 -17.849 5.082 19.993 1.00 0.00 O ATOM 5 CB MET A 1 -19.604 3.019 20.607 1.00 0.00 C ATOM 6 CG MET A 1 -20.437 1.736 20.647 1.00 0.00 C ATOM 7 SD MET A 1 -22.138 2.124 21.022 1.00 0.00 S ATOM 8 CE MET A 1 -22.490 0.850 22.221 1.00 0.00 C ATOM 0 H1 MET A 1 -17.899 1.457 21.864 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.451 2.077 21.228 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.462 3.070 22.164 1.00 0.00 H new ATOM 0 HA MET A 1 -18.094 1.902 19.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.657 3.522 21.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.020 3.704 19.868 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.376 1.223 19.687 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.036 1.056 21.399 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.521 0.947 22.563 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.350 -0.129 21.763 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.815 0.953 23.070 1.00 0.00 H new ATOM 18 N GLN A 2 -16.557 3.707 18.746 1.00 0.00 N ATOM 19 CA GLN A 2 -15.855 4.790 18.078 1.00 0.00 C ATOM 20 C GLN A 2 -15.740 4.504 16.580 1.00 0.00 C ATOM 21 O GLN A 2 -15.661 3.347 16.169 1.00 0.00 O ATOM 22 CB GLN A 2 -14.476 5.016 18.701 1.00 0.00 C ATOM 23 CG GLN A 2 -14.544 6.049 19.827 1.00 0.00 C ATOM 24 CD GLN A 2 -13.163 6.284 20.440 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.621 5.453 21.151 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.625 7.460 20.128 1.00 0.00 N ATOM 0 H GLN A 2 -16.266 2.771 18.462 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.431 5.706 18.209 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.090 4.074 19.090 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.778 5.354 17.935 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.939 6.988 19.440 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.234 5.707 20.598 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.133 8.110 19.527 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.705 7.712 20.489 1.00 0.00 H new ATOM 35 N GLU A 3 -15.734 5.578 15.804 1.00 0.00 N ATOM 36 CA GLU A 3 -15.630 5.457 14.359 1.00 0.00 C ATOM 37 C GLU A 3 -14.428 6.251 13.845 1.00 0.00 C ATOM 38 O GLU A 3 -14.528 7.455 13.612 1.00 0.00 O ATOM 39 CB GLU A 3 -16.921 5.914 13.677 1.00 0.00 C ATOM 40 CG GLU A 3 -17.570 4.762 12.906 1.00 0.00 C ATOM 41 CD GLU A 3 -18.590 5.287 11.893 1.00 0.00 C ATOM 42 OE1 GLU A 3 -19.655 5.754 12.350 1.00 0.00 O ATOM 43 OE2 GLU A 3 -18.281 5.210 10.684 1.00 0.00 O ATOM 0 H GLU A 3 -15.799 6.536 16.148 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.479 4.406 14.112 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.617 6.294 14.425 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.705 6.737 12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.802 4.187 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.061 4.083 13.604 1.00 0.00 H new ATOM 50 N GLN A 4 -13.318 5.545 13.684 1.00 0.00 N ATOM 51 CA GLN A 4 -12.098 6.169 13.202 1.00 0.00 C ATOM 52 C GLN A 4 -12.082 6.193 11.672 1.00 0.00 C ATOM 53 O GLN A 4 -12.022 5.145 11.032 1.00 0.00 O ATOM 54 CB GLN A 4 -10.862 5.453 13.751 1.00 0.00 C ATOM 55 CG GLN A 4 -10.420 6.065 15.082 1.00 0.00 C ATOM 56 CD GLN A 4 -11.451 5.793 16.180 1.00 0.00 C ATOM 57 OE1 GLN A 4 -12.070 6.692 16.723 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.600 4.504 16.474 1.00 0.00 N ATOM 0 H GLN A 4 -13.238 4.547 13.879 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.073 7.197 13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.082 4.394 13.889 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.048 5.518 13.029 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.455 5.651 15.374 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.284 7.140 14.965 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.049 3.801 15.980 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.265 4.218 17.193 1.00 0.00 H new ATOM 67 N ALA A 5 -12.138 7.401 11.131 1.00 0.00 N ATOM 68 CA ALA A 5 -12.132 7.576 9.688 1.00 0.00 C ATOM 69 C ALA A 5 -10.840 6.990 9.114 1.00 0.00 C ATOM 70 O ALA A 5 -9.869 7.713 8.898 1.00 0.00 O ATOM 71 CB ALA A 5 -12.299 9.059 9.352 1.00 0.00 C ATOM 0 H ALA A 5 -12.188 8.268 11.666 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.967 7.043 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.294 9.190 8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.245 9.420 9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.477 9.626 9.789 1.00 0.00 H new ATOM 77 N GLN A 6 -10.871 5.686 8.883 1.00 0.00 N ATOM 78 CA GLN A 6 -9.715 4.995 8.338 1.00 0.00 C ATOM 79 C GLN A 6 -9.932 4.685 6.856 1.00 0.00 C ATOM 80 O GLN A 6 -9.731 3.553 6.418 1.00 0.00 O ATOM 81 CB GLN A 6 -9.417 3.718 9.127 1.00 0.00 C ATOM 82 CG GLN A 6 -10.412 2.611 8.774 1.00 0.00 C ATOM 83 CD GLN A 6 -10.923 1.910 10.035 1.00 0.00 C ATOM 84 OE1 GLN A 6 -12.093 1.966 10.375 1.00 0.00 O ATOM 85 NE2 GLN A 6 -9.983 1.251 10.706 1.00 0.00 N ATOM 0 H GLN A 6 -11.679 5.090 9.063 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.849 5.650 8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.403 3.382 8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.464 3.927 10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.252 3.034 8.223 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.934 1.884 8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.022 1.245 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.223 0.751 11.562 1.00 0.00 H new ATOM 94 N GLN A 7 -10.338 5.711 6.123 1.00 0.00 N ATOM 95 CA GLN A 7 -10.584 5.563 4.698 1.00 0.00 C ATOM 96 C GLN A 7 -9.704 6.531 3.904 1.00 0.00 C ATOM 97 O GLN A 7 -10.030 7.710 3.778 1.00 0.00 O ATOM 98 CB GLN A 7 -12.064 5.774 4.373 1.00 0.00 C ATOM 99 CG GLN A 7 -12.638 4.569 3.626 1.00 0.00 C ATOM 100 CD GLN A 7 -13.654 3.820 4.491 1.00 0.00 C ATOM 101 OE1 GLN A 7 -13.888 4.148 5.643 1.00 0.00 O ATOM 102 NE2 GLN A 7 -14.244 2.800 3.874 1.00 0.00 N ATOM 0 H GLN A 7 -10.503 6.649 6.489 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.324 4.545 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.623 5.935 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.183 6.672 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.115 4.902 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.830 3.895 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.002 2.579 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.939 2.239 4.367 1.00 0.00 H new ATOM 111 N PHE A 8 -8.607 5.996 3.389 1.00 0.00 N ATOM 112 CA PHE A 8 -7.679 6.797 2.610 1.00 0.00 C ATOM 113 C PHE A 8 -7.980 6.687 1.114 1.00 0.00 C ATOM 114 O PHE A 8 -8.035 5.586 0.568 1.00 0.00 O ATOM 115 CB PHE A 8 -6.277 6.244 2.878 1.00 0.00 C ATOM 116 CG PHE A 8 -5.147 7.147 2.380 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.039 7.434 1.055 1.00 0.00 C ATOM 118 CD2 PHE A 8 -4.249 7.663 3.263 1.00 0.00 C ATOM 119 CE1 PHE A 8 -3.990 8.272 0.593 1.00 0.00 C ATOM 120 CE2 PHE A 8 -3.200 8.501 2.800 1.00 0.00 C ATOM 121 CZ PHE A 8 -3.092 8.787 1.475 1.00 0.00 C ATOM 0 H PHE A 8 -8.340 5.017 3.496 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.764 7.846 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.158 6.088 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.185 5.268 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.751 7.024 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.334 7.435 4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.905 8.500 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.488 8.911 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.293 9.423 1.123 1.00 0.00 H new ATOM 131 N ILE A 9 -8.166 7.843 0.494 1.00 0.00 N ATOM 132 CA ILE A 9 -8.460 7.890 -0.929 1.00 0.00 C ATOM 133 C ILE A 9 -7.149 7.874 -1.717 1.00 0.00 C ATOM 134 O ILE A 9 -6.397 8.847 -1.698 1.00 0.00 O ATOM 135 CB ILE A 9 -9.357 9.087 -1.251 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.692 8.987 -0.510 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.549 9.237 -2.761 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.710 8.182 -1.321 1.00 0.00 C ATOM 0 H ILE A 9 -8.119 8.754 0.950 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.024 7.008 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.860 9.991 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.539 8.514 0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.082 9.987 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.190 10.095 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.580 9.388 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.013 8.335 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.650 8.126 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.879 8.671 -2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.327 7.175 -1.489 1.00 0.00 H new ATOM 150 N PHE A 10 -6.915 6.758 -2.392 1.00 0.00 N ATOM 151 CA PHE A 10 -5.708 6.603 -3.185 1.00 0.00 C ATOM 152 C PHE A 10 -5.911 5.569 -4.295 1.00 0.00 C ATOM 153 O PHE A 10 -6.710 4.645 -4.150 1.00 0.00 O ATOM 154 CB PHE A 10 -4.612 6.109 -2.239 1.00 0.00 C ATOM 155 CG PHE A 10 -3.281 5.808 -2.932 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.716 6.735 -3.752 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.663 4.614 -2.728 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.481 6.455 -4.395 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.428 4.334 -3.372 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.863 5.261 -4.191 1.00 0.00 C ATOM 0 H PHE A 10 -7.541 5.953 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.445 7.552 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.446 6.861 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.960 5.207 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.206 7.683 -3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.111 3.878 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.033 7.191 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.938 3.385 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.077 5.049 -4.679 1.00 0.00 H new ATOM 170 N LYS A 11 -5.174 5.760 -5.380 1.00 0.00 N ATOM 171 CA LYS A 11 -5.262 4.856 -6.514 1.00 0.00 C ATOM 172 C LYS A 11 -3.852 4.468 -6.963 1.00 0.00 C ATOM 173 O LYS A 11 -3.123 5.292 -7.512 1.00 0.00 O ATOM 174 CB LYS A 11 -6.114 5.473 -7.625 1.00 0.00 C ATOM 175 CG LYS A 11 -7.514 5.819 -7.116 1.00 0.00 C ATOM 176 CD LYS A 11 -8.478 4.649 -7.323 1.00 0.00 C ATOM 177 CE LYS A 11 -9.418 4.493 -6.126 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.581 3.652 -6.486 1.00 0.00 N ATOM 0 H LYS A 11 -4.513 6.528 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.770 3.935 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.628 6.373 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.189 4.776 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.467 6.073 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.888 6.699 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.062 4.810 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.912 3.729 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.881 4.043 -5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.760 5.473 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.209 3.556 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.102 4.097 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.251 2.711 -6.781 1.00 0.00 H new ATOM 192 N VAL A 12 -3.511 3.213 -6.712 1.00 0.00 N ATOM 193 CA VAL A 12 -2.201 2.705 -7.084 1.00 0.00 C ATOM 194 C VAL A 12 -2.355 1.686 -8.214 1.00 0.00 C ATOM 195 O VAL A 12 -3.358 0.977 -8.283 1.00 0.00 O ATOM 196 CB VAL A 12 -1.494 2.131 -5.854 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.849 0.656 -5.656 1.00 0.00 C ATOM 198 CG2 VAL A 12 0.021 2.323 -5.954 1.00 0.00 C ATOM 0 H VAL A 12 -4.119 2.533 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.571 3.512 -7.458 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.844 2.679 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.333 0.273 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.926 0.556 -5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.541 0.087 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.500 1.907 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.395 1.813 -6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.249 3.387 -6.024 1.00 0.00 H new ATOM 208 N THR A 13 -1.347 1.644 -9.072 1.00 0.00 N ATOM 209 CA THR A 13 -1.358 0.724 -10.196 1.00 0.00 C ATOM 210 C THR A 13 -1.346 -0.724 -9.700 1.00 0.00 C ATOM 211 O THR A 13 -1.292 -0.971 -8.497 1.00 0.00 O ATOM 212 CB THR A 13 -0.172 1.066 -11.100 1.00 0.00 C ATOM 213 OG1 THR A 13 0.916 1.235 -10.195 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.319 2.436 -11.766 1.00 0.00 C ATOM 0 H THR A 13 -0.516 2.233 -9.011 1.00 0.00 H new ATOM 0 HA THR A 13 -2.271 0.827 -10.782 1.00 0.00 H new ATOM 0 HB THR A 13 -0.067 0.299 -11.867 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.762 1.139 -10.680 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.549 2.629 -12.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.221 2.448 -12.377 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.390 3.208 -10.999 1.00 0.00 H new ATOM 222 N ASP A 14 -1.398 -1.643 -10.653 1.00 0.00 N ATOM 223 CA ASP A 14 -1.394 -3.059 -10.328 1.00 0.00 C ATOM 224 C ASP A 14 0.031 -3.492 -9.975 1.00 0.00 C ATOM 225 O ASP A 14 0.226 -4.500 -9.298 1.00 0.00 O ATOM 226 CB ASP A 14 -1.862 -3.898 -11.519 1.00 0.00 C ATOM 227 CG ASP A 14 -3.316 -4.367 -11.447 1.00 0.00 C ATOM 228 OD1 ASP A 14 -3.996 -3.962 -10.480 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.715 -5.121 -12.361 1.00 0.00 O ATOM 0 H ASP A 14 -1.443 -1.434 -11.650 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.071 -3.215 -9.488 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.729 -3.315 -12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.217 -4.773 -11.604 1.00 0.00 H new ATOM 234 N LYS A 15 0.988 -2.710 -10.450 1.00 0.00 N ATOM 235 CA LYS A 15 2.389 -3.000 -10.193 1.00 0.00 C ATOM 236 C LYS A 15 2.667 -2.860 -8.695 1.00 0.00 C ATOM 237 O LYS A 15 3.294 -3.730 -8.092 1.00 0.00 O ATOM 238 CB LYS A 15 3.287 -2.126 -11.069 1.00 0.00 C ATOM 239 CG LYS A 15 4.373 -2.963 -11.749 1.00 0.00 C ATOM 240 CD LYS A 15 5.466 -3.356 -10.752 1.00 0.00 C ATOM 241 CE LYS A 15 5.728 -4.863 -10.793 1.00 0.00 C ATOM 242 NZ LYS A 15 5.058 -5.536 -9.658 1.00 0.00 N ATOM 0 H LYS A 15 0.822 -1.875 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 15 2.621 -4.029 -10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.684 -1.622 -11.825 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.750 -1.349 -10.460 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.929 -3.860 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.812 -2.398 -12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.385 -2.817 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.168 -3.062 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.365 -5.276 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.801 -5.053 -10.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.753 -6.487 -9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.721 -5.614 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.229 -4.981 -9.365 1.00 0.00 H new ATOM 256 N ALA A 16 2.187 -1.759 -8.136 1.00 0.00 N ATOM 257 CA ALA A 16 2.376 -1.494 -6.720 1.00 0.00 C ATOM 258 C ALA A 16 1.749 -2.627 -5.905 1.00 0.00 C ATOM 259 O ALA A 16 2.424 -3.263 -5.097 1.00 0.00 O ATOM 260 CB ALA A 16 1.782 -0.128 -6.372 1.00 0.00 C ATOM 0 H ALA A 16 1.667 -1.040 -8.639 1.00 0.00 H new ATOM 0 HA ALA A 16 3.438 -1.460 -6.475 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.924 0.071 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.282 0.645 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.717 -0.125 -6.602 1.00 0.00 H new ATOM 266 N VAL A 17 0.464 -2.845 -6.146 1.00 0.00 N ATOM 267 CA VAL A 17 -0.261 -3.890 -5.445 1.00 0.00 C ATOM 268 C VAL A 17 0.463 -5.224 -5.635 1.00 0.00 C ATOM 269 O VAL A 17 0.638 -5.981 -4.682 1.00 0.00 O ATOM 270 CB VAL A 17 -1.715 -3.927 -5.920 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.280 -5.347 -5.850 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.580 -2.954 -5.115 1.00 0.00 C ATOM 0 H VAL A 17 -0.093 -2.316 -6.817 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.287 -3.684 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.734 -3.610 -6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.315 -5.344 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.688 -6.006 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.240 -5.704 -4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.609 -3.000 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.550 -3.228 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.198 -1.940 -5.238 1.00 0.00 H new ATOM 282 N GLU A 18 0.865 -5.472 -6.873 1.00 0.00 N ATOM 283 CA GLU A 18 1.566 -6.701 -7.201 1.00 0.00 C ATOM 284 C GLU A 18 2.850 -6.816 -6.376 1.00 0.00 C ATOM 285 O GLU A 18 3.196 -7.899 -5.907 1.00 0.00 O ATOM 286 CB GLU A 18 1.869 -6.778 -8.699 1.00 0.00 C ATOM 287 CG GLU A 18 0.732 -7.470 -9.453 1.00 0.00 C ATOM 288 CD GLU A 18 1.274 -8.309 -10.612 1.00 0.00 C ATOM 289 OE1 GLU A 18 1.670 -7.691 -11.624 1.00 0.00 O ATOM 290 OE2 GLU A 18 1.280 -9.550 -10.460 1.00 0.00 O ATOM 0 H GLU A 18 0.718 -4.842 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 18 0.919 -7.542 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.015 -5.774 -9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.800 -7.322 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.172 -8.107 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.036 -6.723 -9.834 1.00 0.00 H new ATOM 297 N GLU A 19 3.521 -5.684 -6.225 1.00 0.00 N ATOM 298 CA GLU A 19 4.759 -5.643 -5.464 1.00 0.00 C ATOM 299 C GLU A 19 4.530 -6.176 -4.049 1.00 0.00 C ATOM 300 O GLU A 19 5.305 -6.995 -3.556 1.00 0.00 O ATOM 301 CB GLU A 19 5.336 -4.227 -5.430 1.00 0.00 C ATOM 302 CG GLU A 19 6.586 -4.165 -4.551 1.00 0.00 C ATOM 303 CD GLU A 19 7.857 -4.170 -5.403 1.00 0.00 C ATOM 304 OE1 GLU A 19 8.264 -5.279 -5.809 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.393 -3.063 -5.628 1.00 0.00 O ATOM 0 H GLU A 19 3.231 -4.788 -6.617 1.00 0.00 H new ATOM 0 HA GLU A 19 5.488 -6.284 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.583 -3.907 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.585 -3.534 -5.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.559 -3.265 -3.937 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.598 -5.015 -3.869 1.00 0.00 H new ATOM 312 N ILE A 20 3.461 -5.690 -3.433 1.00 0.00 N ATOM 313 CA ILE A 20 3.121 -6.107 -2.084 1.00 0.00 C ATOM 314 C ILE A 20 3.006 -7.632 -2.040 1.00 0.00 C ATOM 315 O ILE A 20 3.419 -8.261 -1.067 1.00 0.00 O ATOM 316 CB ILE A 20 1.863 -5.382 -1.601 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.838 -3.936 -2.100 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.733 -5.465 -0.078 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.244 -3.331 -2.099 1.00 0.00 C ATOM 0 H ILE A 20 2.820 -5.012 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 20 3.911 -5.826 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 20 0.994 -5.885 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.425 -3.902 -3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.181 -3.340 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.831 -4.942 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.672 -6.510 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.603 -5.002 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.198 -2.303 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.645 -3.344 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.892 -3.915 -2.753 1.00 0.00 H new ATOM 331 N LYS A 21 2.444 -8.183 -3.105 1.00 0.00 N ATOM 332 CA LYS A 21 2.270 -9.622 -3.200 1.00 0.00 C ATOM 333 C LYS A 21 3.643 -10.295 -3.249 1.00 0.00 C ATOM 334 O LYS A 21 3.852 -11.333 -2.622 1.00 0.00 O ATOM 335 CB LYS A 21 1.369 -9.976 -4.386 1.00 0.00 C ATOM 336 CG LYS A 21 -0.065 -9.502 -4.145 1.00 0.00 C ATOM 337 CD LYS A 21 -0.786 -9.243 -5.470 1.00 0.00 C ATOM 338 CE LYS A 21 -2.253 -9.671 -5.389 1.00 0.00 C ATOM 339 NZ LYS A 21 -2.840 -9.767 -6.743 1.00 0.00 N ATOM 0 H LYS A 21 2.103 -7.658 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 21 1.759 -10.003 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.760 -9.517 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.378 -11.054 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.609 -10.253 -3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.055 -8.590 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.726 -8.184 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.288 -9.788 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.330 -10.634 -4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.815 -8.952 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.836 -10.058 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.784 -8.841 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.314 -10.470 -7.301 1.00 0.00 H new ATOM 353 N LYS A 22 4.544 -9.677 -3.998 1.00 0.00 N ATOM 354 CA LYS A 22 5.891 -10.204 -4.136 1.00 0.00 C ATOM 355 C LYS A 22 6.494 -10.421 -2.747 1.00 0.00 C ATOM 356 O LYS A 22 7.011 -11.497 -2.452 1.00 0.00 O ATOM 357 CB LYS A 22 6.731 -9.296 -5.036 1.00 0.00 C ATOM 358 CG LYS A 22 6.233 -9.344 -6.482 1.00 0.00 C ATOM 359 CD LYS A 22 7.357 -8.998 -7.461 1.00 0.00 C ATOM 360 CE LYS A 22 6.927 -7.887 -8.420 1.00 0.00 C ATOM 361 NZ LYS A 22 7.021 -8.347 -9.823 1.00 0.00 N ATOM 0 H LYS A 22 4.368 -8.816 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 22 5.872 -11.175 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.688 -8.271 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.776 -9.605 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.846 -10.338 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.407 -8.644 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.242 -8.683 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.635 -9.886 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.904 -7.584 -8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.558 -7.010 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.725 -7.580 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.003 -8.615 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.401 -9.170 -9.961 1.00 0.00 H new ATOM 375 N VAL A 23 6.407 -9.381 -1.930 1.00 0.00 N ATOM 376 CA VAL A 23 6.938 -9.445 -0.579 1.00 0.00 C ATOM 377 C VAL A 23 6.072 -10.385 0.261 1.00 0.00 C ATOM 378 O VAL A 23 6.535 -10.938 1.257 1.00 0.00 O ATOM 379 CB VAL A 23 7.037 -8.036 0.011 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.744 -8.049 1.513 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.407 -7.417 -0.275 1.00 0.00 C ATOM 0 H VAL A 23 5.977 -8.490 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 23 7.949 -9.853 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 23 6.282 -7.416 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.821 -7.036 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.737 -8.429 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.465 -8.691 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.451 -6.416 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.186 -8.037 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.561 -7.356 -1.352 1.00 0.00 H new ATOM 391 N ALA A 24 4.829 -10.537 -0.172 1.00 0.00 N ATOM 392 CA ALA A 24 3.893 -11.401 0.528 1.00 0.00 C ATOM 393 C ALA A 24 4.232 -12.862 0.227 1.00 0.00 C ATOM 394 O ALA A 24 4.381 -13.670 1.143 1.00 0.00 O ATOM 395 CB ALA A 24 2.463 -11.039 0.122 1.00 0.00 C ATOM 0 H ALA A 24 4.448 -10.077 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 24 3.972 -11.259 1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.761 -11.687 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.263 -10.000 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.345 -11.172 -0.953 1.00 0.00 H new ATOM 401 N GLN A 25 4.345 -13.158 -1.059 1.00 0.00 N ATOM 402 CA GLN A 25 4.664 -14.508 -1.492 1.00 0.00 C ATOM 403 C GLN A 25 5.931 -15.004 -0.793 1.00 0.00 C ATOM 404 O GLN A 25 6.039 -16.183 -0.458 1.00 0.00 O ATOM 405 CB GLN A 25 4.814 -14.575 -3.013 1.00 0.00 C ATOM 406 CG GLN A 25 3.675 -15.381 -3.642 1.00 0.00 C ATOM 407 CD GLN A 25 4.211 -16.624 -4.354 1.00 0.00 C ATOM 408 OE1 GLN A 25 4.780 -16.557 -5.431 1.00 0.00 O ATOM 409 NE2 GLN A 25 3.998 -17.759 -3.695 1.00 0.00 N ATOM 0 H GLN A 25 4.221 -12.486 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 25 3.839 -15.163 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.822 -13.566 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.771 -15.031 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.965 -15.678 -2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.132 -14.757 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.515 -17.744 -2.797 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.318 -18.644 -4.088 1.00 0.00 H new ATOM 418 N GLU A 26 6.859 -14.079 -0.593 1.00 0.00 N ATOM 419 CA GLU A 26 8.114 -14.407 0.060 1.00 0.00 C ATOM 420 C GLU A 26 7.879 -14.710 1.541 1.00 0.00 C ATOM 421 O GLU A 26 8.795 -15.132 2.245 1.00 0.00 O ATOM 422 CB GLU A 26 9.134 -13.279 -0.114 1.00 0.00 C ATOM 423 CG GLU A 26 10.180 -13.644 -1.169 1.00 0.00 C ATOM 424 CD GLU A 26 11.393 -14.322 -0.528 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.173 -15.074 0.446 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.512 -14.072 -1.026 1.00 0.00 O ATOM 0 H GLU A 26 6.766 -13.102 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 26 8.524 -15.300 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.622 -12.362 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.626 -13.079 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.737 -14.309 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.498 -12.745 -1.697 1.00 0.00 H new ATOM 433 N ASN A 27 6.646 -14.484 1.970 1.00 0.00 N ATOM 434 CA ASN A 27 6.279 -14.728 3.354 1.00 0.00 C ATOM 435 C ASN A 27 4.904 -15.396 3.403 1.00 0.00 C ATOM 436 O ASN A 27 4.267 -15.439 4.454 1.00 0.00 O ATOM 437 CB ASN A 27 6.196 -13.418 4.141 1.00 0.00 C ATOM 438 CG ASN A 27 7.577 -12.989 4.639 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.200 -13.643 5.460 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.019 -11.857 4.100 1.00 0.00 N ATOM 0 H ASN A 27 5.889 -14.134 1.383 1.00 0.00 H new ATOM 0 HA ASN A 27 7.042 -15.368 3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.774 -12.636 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.522 -13.541 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.931 -11.486 4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.447 -11.359 3.418 1.00 0.00 H new ATOM 447 N ASN A 28 4.486 -15.902 2.251 1.00 0.00 N ATOM 448 CA ASN A 28 3.198 -16.566 2.149 1.00 0.00 C ATOM 449 C ASN A 28 2.157 -15.777 2.945 1.00 0.00 C ATOM 450 O ASN A 28 1.367 -16.357 3.688 1.00 0.00 O ATOM 451 CB ASN A 28 3.261 -17.982 2.726 1.00 0.00 C ATOM 452 CG ASN A 28 2.292 -18.915 1.998 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.216 -18.946 0.780 1.00 0.00 O ATOM 454 ND2 ASN A 28 1.556 -19.671 2.808 1.00 0.00 N ATOM 0 H ASN A 28 5.017 -15.865 1.381 1.00 0.00 H new ATOM 0 HA ASN A 28 2.928 -16.618 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.277 -18.368 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.018 -17.957 3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.878 -20.326 2.418 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.669 -19.596 3.819 1.00 0.00 H new ATOM 461 N ILE A 29 2.189 -14.465 2.763 1.00 0.00 N ATOM 462 CA ILE A 29 1.259 -13.590 3.455 1.00 0.00 C ATOM 463 C ILE A 29 0.078 -13.276 2.533 1.00 0.00 C ATOM 464 O ILE A 29 0.220 -12.522 1.572 1.00 0.00 O ATOM 465 CB ILE A 29 1.980 -12.345 3.976 1.00 0.00 C ATOM 466 CG1 ILE A 29 2.657 -12.625 5.319 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.026 -11.151 4.052 1.00 0.00 C ATOM 468 CD1 ILE A 29 3.085 -11.323 5.999 1.00 0.00 C ATOM 0 H ILE A 29 2.845 -13.987 2.146 1.00 0.00 H new ATOM 0 HA ILE A 29 0.853 -14.087 4.336 1.00 0.00 H new ATOM 0 HB ILE A 29 2.767 -12.084 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.973 -13.171 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.528 -13.263 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.563 -10.279 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.632 -10.936 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.202 -11.386 4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.563 -11.550 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.788 -10.791 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.209 -10.698 6.173 1.00 0.00 H new ATOM 480 N GLU A 30 -1.060 -13.871 2.859 1.00 0.00 N ATOM 481 CA GLU A 30 -2.264 -13.665 2.072 1.00 0.00 C ATOM 482 C GLU A 30 -2.936 -12.348 2.465 1.00 0.00 C ATOM 483 O GLU A 30 -4.021 -12.031 1.980 1.00 0.00 O ATOM 484 CB GLU A 30 -3.229 -14.841 2.229 1.00 0.00 C ATOM 485 CG GLU A 30 -3.450 -15.551 0.891 1.00 0.00 C ATOM 486 CD GLU A 30 -4.786 -16.298 0.881 1.00 0.00 C ATOM 487 OE1 GLU A 30 -5.806 -15.630 0.607 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.755 -17.519 1.146 1.00 0.00 O ATOM 0 H GLU A 30 -1.174 -14.496 3.657 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.982 -13.607 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.832 -15.547 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.183 -14.484 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.431 -14.822 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.636 -16.252 0.708 1.00 0.00 H new ATOM 495 N ASN A 31 -2.263 -11.616 3.341 1.00 0.00 N ATOM 496 CA ASN A 31 -2.782 -10.340 3.806 1.00 0.00 C ATOM 497 C ASN A 31 -1.614 -9.422 4.169 1.00 0.00 C ATOM 498 O ASN A 31 -1.403 -9.114 5.341 1.00 0.00 O ATOM 499 CB ASN A 31 -3.648 -10.520 5.054 1.00 0.00 C ATOM 500 CG ASN A 31 -3.129 -11.667 5.922 1.00 0.00 C ATOM 501 OD1 ASN A 31 -3.270 -12.836 5.600 1.00 0.00 O ATOM 502 ND2 ASN A 31 -2.523 -11.271 7.037 1.00 0.00 N ATOM 0 H ASN A 31 -1.363 -11.882 3.741 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.386 -9.910 3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.655 -9.596 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.678 -10.720 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.142 -11.962 7.683 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.439 -10.276 7.246 1.00 0.00 H new ATOM 509 N PRO A 32 -0.866 -8.998 3.115 1.00 0.00 N ATOM 510 CA PRO A 32 0.275 -8.121 3.311 1.00 0.00 C ATOM 511 C PRO A 32 -0.178 -6.690 3.609 1.00 0.00 C ATOM 512 O PRO A 32 -0.794 -6.041 2.764 1.00 0.00 O ATOM 513 CB PRO A 32 1.083 -8.233 2.028 1.00 0.00 C ATOM 514 CG PRO A 32 0.133 -8.801 0.986 1.00 0.00 C ATOM 515 CD PRO A 32 -1.087 -9.342 1.713 1.00 0.00 C ATOM 0 HA PRO A 32 0.880 -8.404 4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.464 -7.259 1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.946 -8.884 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.158 -8.029 0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.620 -9.593 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.005 -8.892 1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.182 -10.420 1.580 1.00 0.00 H new ATOM 523 N ILE A 33 0.144 -6.240 4.812 1.00 0.00 N ATOM 524 CA ILE A 33 -0.222 -4.898 5.232 1.00 0.00 C ATOM 525 C ILE A 33 0.996 -3.980 5.110 1.00 0.00 C ATOM 526 O ILE A 33 1.827 -3.922 6.015 1.00 0.00 O ATOM 527 CB ILE A 33 -0.835 -4.923 6.634 1.00 0.00 C ATOM 528 CG1 ILE A 33 -2.249 -5.507 6.603 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.803 -3.533 7.272 1.00 0.00 C ATOM 530 CD1 ILE A 33 -2.615 -6.129 7.952 1.00 0.00 C ATOM 0 H ILE A 33 0.655 -6.781 5.510 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.995 -4.492 4.579 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.229 -5.578 7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.965 -4.723 6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.317 -6.262 5.820 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.245 -3.579 8.267 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.229 -3.191 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.371 -2.836 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.625 -6.537 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.912 -6.928 8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.569 -5.366 8.729 1.00 0.00 H new ATOM 542 N LEU A 34 1.063 -3.285 3.984 1.00 0.00 N ATOM 543 CA LEU A 34 2.166 -2.373 3.732 1.00 0.00 C ATOM 544 C LEU A 34 1.706 -0.938 3.999 1.00 0.00 C ATOM 545 O LEU A 34 0.522 -0.629 3.873 1.00 0.00 O ATOM 546 CB LEU A 34 2.728 -2.587 2.325 1.00 0.00 C ATOM 547 CG LEU A 34 2.010 -1.845 1.196 1.00 0.00 C ATOM 548 CD1 LEU A 34 0.497 -2.057 1.276 1.00 0.00 C ATOM 549 CD2 LEU A 34 2.381 -0.361 1.192 1.00 0.00 C ATOM 0 H LEU A 34 0.371 -3.335 3.236 1.00 0.00 H new ATOM 0 HA LEU A 34 2.992 -2.576 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.775 -2.284 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.704 -3.654 2.104 1.00 0.00 H new ATOM 0 HG LEU A 34 2.344 -2.263 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.011 -1.519 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.274 -3.121 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.127 -1.683 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.857 0.143 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.094 0.088 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.457 -0.255 1.051 1.00 0.00 H new ATOM 561 N ARG A 35 2.666 -0.101 4.362 1.00 0.00 N ATOM 562 CA ARG A 35 2.375 1.294 4.647 1.00 0.00 C ATOM 563 C ARG A 35 3.266 2.206 3.802 1.00 0.00 C ATOM 564 O ARG A 35 4.428 1.888 3.553 1.00 0.00 O ATOM 565 CB ARG A 35 2.592 1.610 6.128 1.00 0.00 C ATOM 566 CG ARG A 35 4.082 1.754 6.445 1.00 0.00 C ATOM 567 CD ARG A 35 4.297 2.101 7.920 1.00 0.00 C ATOM 568 NE ARG A 35 5.642 1.659 8.352 1.00 0.00 N ATOM 569 CZ ARG A 35 6.187 1.961 9.539 1.00 0.00 C ATOM 570 NH1 ARG A 35 5.504 2.707 10.419 1.00 0.00 N ATOM 571 NH2 ARG A 35 7.413 1.517 9.846 1.00 0.00 N ATOM 0 H ARG A 35 3.647 -0.362 4.465 1.00 0.00 H new ATOM 0 HA ARG A 35 1.329 1.472 4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.071 2.531 6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.161 0.817 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.600 0.825 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.518 2.531 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.193 3.176 8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.533 1.620 8.531 1.00 0.00 H new ATOM 0 HE ARG A 35 6.188 1.089 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.570 3.044 10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.918 2.937 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.932 0.949 9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.827 1.747 10.749 1.00 0.00 H new ATOM 585 N ILE A 36 2.687 3.322 3.383 1.00 0.00 N ATOM 586 CA ILE A 36 3.414 4.283 2.571 1.00 0.00 C ATOM 587 C ILE A 36 4.101 5.301 3.484 1.00 0.00 C ATOM 588 O ILE A 36 3.566 5.659 4.532 1.00 0.00 O ATOM 589 CB ILE A 36 2.487 4.916 1.531 1.00 0.00 C ATOM 590 CG1 ILE A 36 3.279 5.403 0.315 1.00 0.00 C ATOM 591 CG2 ILE A 36 1.648 6.033 2.153 1.00 0.00 C ATOM 592 CD1 ILE A 36 3.739 4.226 -0.547 1.00 0.00 C ATOM 0 H ILE A 36 1.723 3.582 3.591 1.00 0.00 H new ATOM 0 HA ILE A 36 4.199 3.784 2.003 1.00 0.00 H new ATOM 0 HB ILE A 36 1.795 4.151 1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.661 6.075 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.145 5.976 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.998 6.466 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.040 5.625 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.307 6.805 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.299 4.600 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.376 3.569 0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.870 3.669 -0.897 1.00 0.00 H new ATOM 604 N ARG A 37 5.275 5.737 3.053 1.00 0.00 N ATOM 605 CA ARG A 37 6.040 6.707 3.819 1.00 0.00 C ATOM 606 C ARG A 37 6.712 7.712 2.882 1.00 0.00 C ATOM 607 O ARG A 37 6.828 7.466 1.682 1.00 0.00 O ATOM 608 CB ARG A 37 7.109 6.017 4.669 1.00 0.00 C ATOM 609 CG ARG A 37 7.232 6.682 6.041 1.00 0.00 C ATOM 610 CD ARG A 37 8.387 6.078 6.842 1.00 0.00 C ATOM 611 NE ARG A 37 8.025 6.003 8.275 1.00 0.00 N ATOM 612 CZ ARG A 37 8.051 7.049 9.112 1.00 0.00 C ATOM 613 NH1 ARG A 37 8.421 8.256 8.665 1.00 0.00 N ATOM 614 NH2 ARG A 37 7.705 6.887 10.397 1.00 0.00 N ATOM 0 H ARG A 37 5.716 5.437 2.183 1.00 0.00 H new ATOM 0 HA ARG A 37 5.348 7.229 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.856 4.964 4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.069 6.056 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.392 7.753 5.917 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.300 6.561 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.620 5.082 6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.284 6.685 6.716 1.00 0.00 H new ATOM 0 HE ARG A 37 7.738 5.099 8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.683 8.379 7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.441 9.052 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.422 5.968 10.737 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.725 7.683 11.035 1.00 0.00 H new ATOM 628 N VAL A 38 7.138 8.823 3.465 1.00 0.00 N ATOM 629 CA VAL A 38 7.796 9.866 2.697 1.00 0.00 C ATOM 630 C VAL A 38 9.307 9.785 2.925 1.00 0.00 C ATOM 631 O VAL A 38 9.764 9.718 4.065 1.00 0.00 O ATOM 632 CB VAL A 38 7.209 11.232 3.060 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.415 12.236 1.924 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.729 11.113 3.426 1.00 0.00 C ATOM 0 H VAL A 38 7.040 9.023 4.460 1.00 0.00 H new ATOM 0 HA VAL A 38 7.620 9.724 1.631 1.00 0.00 H new ATOM 0 HB VAL A 38 7.741 11.604 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.989 13.198 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.481 12.354 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.922 11.872 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.337 12.098 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.176 10.709 2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.618 10.447 4.282 1.00 0.00 H new ATOM 644 N VAL A 39 10.040 9.794 1.821 1.00 0.00 N ATOM 645 CA VAL A 39 11.490 9.723 1.886 1.00 0.00 C ATOM 646 C VAL A 39 12.088 10.954 1.202 1.00 0.00 C ATOM 647 O VAL A 39 12.315 10.948 -0.007 1.00 0.00 O ATOM 648 CB VAL A 39 11.977 8.405 1.278 1.00 0.00 C ATOM 649 CG1 VAL A 39 13.497 8.277 1.392 1.00 0.00 C ATOM 650 CG2 VAL A 39 11.275 7.210 1.927 1.00 0.00 C ATOM 0 H VAL A 39 9.657 9.849 0.877 1.00 0.00 H new ATOM 0 HA VAL A 39 11.827 9.732 2.923 1.00 0.00 H new ATOM 0 HB VAL A 39 11.720 8.409 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.817 7.332 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.972 9.103 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.787 8.305 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.639 6.286 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.486 7.201 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.199 7.291 1.770 1.00 0.00 H new ATOM 660 N PRO A 40 12.334 12.007 2.027 1.00 0.00 N ATOM 661 CA PRO A 40 12.901 13.242 1.514 1.00 0.00 C ATOM 662 C PRO A 40 14.394 13.080 1.220 1.00 0.00 C ATOM 663 O PRO A 40 15.233 13.360 2.076 1.00 0.00 O ATOM 664 CB PRO A 40 12.617 14.281 2.586 1.00 0.00 C ATOM 665 CG PRO A 40 12.316 13.499 3.855 1.00 0.00 C ATOM 666 CD PRO A 40 12.079 12.049 3.463 1.00 0.00 C ATOM 0 HA PRO A 40 12.463 13.541 0.562 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.473 14.940 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.773 14.911 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.147 13.574 4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.438 13.907 4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.747 11.378 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.060 11.738 3.694 1.00 0.00 H new ATOM 674 N GLY A 41 14.681 12.628 0.008 1.00 0.00 N ATOM 675 CA GLY A 41 16.058 12.424 -0.408 1.00 0.00 C ATOM 676 C GLY A 41 16.187 11.178 -1.286 1.00 0.00 C ATOM 677 O GLY A 41 16.451 10.086 -0.785 1.00 0.00 O ATOM 0 H GLY A 41 13.983 12.397 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.409 13.298 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.696 12.322 0.470 1.00 0.00 H new ATOM 681 N GLY A 42 15.994 11.382 -2.581 1.00 0.00 N ATOM 682 CA GLY A 42 16.085 10.289 -3.533 1.00 0.00 C ATOM 683 C GLY A 42 17.067 10.621 -4.658 1.00 0.00 C ATOM 684 O GLY A 42 17.008 11.705 -5.238 1.00 0.00 O ATOM 0 H GLY A 42 15.775 12.289 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.406 9.382 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.100 10.086 -3.954 1.00 0.00 H new ATOM 688 N CYS A 43 17.947 9.670 -4.933 1.00 0.00 N ATOM 689 CA CYS A 43 18.940 9.848 -5.979 1.00 0.00 C ATOM 690 C CYS A 43 18.210 10.161 -7.286 1.00 0.00 C ATOM 691 O CYS A 43 18.559 11.113 -7.984 1.00 0.00 O ATOM 692 CB CYS A 43 19.848 8.624 -6.111 1.00 0.00 C ATOM 693 SG CYS A 43 21.464 8.956 -5.318 1.00 0.00 S ATOM 0 H CYS A 43 17.993 8.773 -4.449 1.00 0.00 H new ATOM 0 HA CYS A 43 19.597 10.679 -5.723 1.00 0.00 H new ATOM 0 HB2 CYS A 43 19.376 7.759 -5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.993 8.380 -7.163 1.00 0.00 H new ATOM 0 HG CYS A 43 22.227 7.910 -5.433 1.00 0.00 H new ATOM 699 N SER A 44 17.211 9.343 -7.580 1.00 0.00 N ATOM 700 CA SER A 44 16.429 9.520 -8.791 1.00 0.00 C ATOM 701 C SER A 44 15.417 10.652 -8.600 1.00 0.00 C ATOM 702 O SER A 44 15.187 11.445 -9.512 1.00 0.00 O ATOM 703 CB SER A 44 15.711 8.226 -9.178 1.00 0.00 C ATOM 704 OG SER A 44 15.752 7.992 -10.584 1.00 0.00 O ATOM 0 H SER A 44 16.925 8.555 -6.999 1.00 0.00 H new ATOM 0 HA SER A 44 17.109 9.782 -9.601 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.171 7.386 -8.657 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.673 8.275 -8.849 1.00 0.00 H new ATOM 0 HG SER A 44 15.284 7.156 -10.790 1.00 0.00 H new ATOM 710 N GLY A 45 14.839 10.690 -7.408 1.00 0.00 N ATOM 711 CA GLY A 45 13.857 11.712 -7.086 1.00 0.00 C ATOM 712 C GLY A 45 13.139 11.387 -5.774 1.00 0.00 C ATOM 713 O GLY A 45 13.301 10.297 -5.227 1.00 0.00 O ATOM 0 H GLY A 45 15.032 10.030 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.349 12.682 -7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.129 11.790 -7.894 1.00 0.00 H new ATOM 717 N PHE A 46 12.360 12.352 -5.308 1.00 0.00 N ATOM 718 CA PHE A 46 11.617 12.183 -4.071 1.00 0.00 C ATOM 719 C PHE A 46 10.286 11.471 -4.324 1.00 0.00 C ATOM 720 O PHE A 46 9.385 12.034 -4.944 1.00 0.00 O ATOM 721 CB PHE A 46 11.336 13.583 -3.523 1.00 0.00 C ATOM 722 CG PHE A 46 10.626 14.509 -4.512 1.00 0.00 C ATOM 723 CD1 PHE A 46 9.267 14.539 -4.559 1.00 0.00 C ATOM 724 CD2 PHE A 46 11.353 15.300 -5.345 1.00 0.00 C ATOM 725 CE1 PHE A 46 8.607 15.398 -5.478 1.00 0.00 C ATOM 726 CE2 PHE A 46 10.693 16.159 -6.264 1.00 0.00 C ATOM 727 CZ PHE A 46 9.334 16.190 -6.311 1.00 0.00 C ATOM 0 H PHE A 46 12.227 13.254 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 46 12.194 11.580 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.727 13.494 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.279 14.041 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.690 13.910 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.432 15.275 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.528 15.422 -5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.271 16.788 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.832 16.843 -7.010 1.00 0.00 H new ATOM 737 N GLN A 47 10.205 10.244 -3.832 1.00 0.00 N ATOM 738 CA GLN A 47 9.000 9.449 -3.998 1.00 0.00 C ATOM 739 C GLN A 47 8.751 8.598 -2.751 1.00 0.00 C ATOM 740 O GLN A 47 9.531 8.639 -1.801 1.00 0.00 O ATOM 741 CB GLN A 47 9.087 8.575 -5.250 1.00 0.00 C ATOM 742 CG GLN A 47 9.064 9.430 -6.519 1.00 0.00 C ATOM 743 CD GLN A 47 10.484 9.762 -6.982 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.468 9.271 -6.453 1.00 0.00 O ATOM 745 NE2 GLN A 47 10.535 10.620 -7.997 1.00 0.00 N ATOM 0 H GLN A 47 10.954 9.780 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 47 8.156 10.126 -4.127 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.002 7.984 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.254 7.872 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.535 8.899 -7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.514 10.352 -6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.672 10.993 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.437 10.905 -8.379 1.00 0.00 H new ATOM 754 N TYR A 48 7.661 7.846 -2.795 1.00 0.00 N ATOM 755 CA TYR A 48 7.299 6.986 -1.681 1.00 0.00 C ATOM 756 C TYR A 48 7.604 5.521 -1.998 1.00 0.00 C ATOM 757 O TYR A 48 7.306 5.043 -3.091 1.00 0.00 O ATOM 758 CB TYR A 48 5.789 7.151 -1.494 1.00 0.00 C ATOM 759 CG TYR A 48 5.365 8.558 -1.069 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.577 9.628 -1.915 1.00 0.00 C ATOM 761 CD2 TYR A 48 4.769 8.757 0.159 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.178 10.952 -1.515 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.369 10.082 0.559 1.00 0.00 C ATOM 764 CZ TYR A 48 4.593 11.114 -0.297 1.00 0.00 C ATOM 765 OH TYR A 48 4.216 12.365 0.081 1.00 0.00 O ATOM 0 H TYR A 48 7.017 7.814 -3.585 1.00 0.00 H new ATOM 0 HA TYR A 48 7.863 7.257 -0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.288 6.898 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.446 6.437 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.042 9.472 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.602 7.920 0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.339 11.798 -2.167 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.902 10.252 1.518 1.00 0.00 H new ATOM 0 HH TYR A 48 4.475 12.517 1.014 1.00 0.00 H new ATOM 775 N ALA A 49 8.196 4.849 -1.021 1.00 0.00 N ATOM 776 CA ALA A 49 8.545 3.448 -1.182 1.00 0.00 C ATOM 777 C ALA A 49 7.485 2.581 -0.500 1.00 0.00 C ATOM 778 O ALA A 49 6.749 3.057 0.363 1.00 0.00 O ATOM 779 CB ALA A 49 9.947 3.203 -0.620 1.00 0.00 C ATOM 0 H ALA A 49 8.443 5.249 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 49 8.564 3.177 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.209 2.152 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.667 3.820 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.965 3.462 0.439 1.00 0.00 H new ATOM 785 N MET A 50 7.440 1.322 -0.913 1.00 0.00 N ATOM 786 CA MET A 50 6.482 0.384 -0.353 1.00 0.00 C ATOM 787 C MET A 50 7.191 -0.711 0.447 1.00 0.00 C ATOM 788 O MET A 50 8.370 -0.983 0.225 1.00 0.00 O ATOM 789 CB MET A 50 5.671 -0.252 -1.483 1.00 0.00 C ATOM 790 CG MET A 50 4.371 0.517 -1.725 1.00 0.00 C ATOM 791 SD MET A 50 3.791 0.228 -3.388 1.00 0.00 S ATOM 792 CE MET A 50 2.040 0.060 -3.081 1.00 0.00 C ATOM 0 H MET A 50 8.052 0.930 -1.629 1.00 0.00 H new ATOM 0 HA MET A 50 5.819 0.928 0.320 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.264 -0.267 -2.397 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.444 -1.288 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.614 0.202 -1.007 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.535 1.583 -1.568 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.637 -0.741 -3.701 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.876 -0.177 -2.030 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.537 0.996 -3.325 1.00 0.00 H new ATOM 802 N GLY A 51 6.442 -1.310 1.361 1.00 0.00 N ATOM 803 CA GLY A 51 6.983 -2.369 2.195 1.00 0.00 C ATOM 804 C GLY A 51 5.937 -2.870 3.194 1.00 0.00 C ATOM 805 O GLY A 51 5.294 -2.073 3.876 1.00 0.00 O ATOM 0 H GLY A 51 5.465 -1.082 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.317 -3.196 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.858 -2.003 2.732 1.00 0.00 H new ATOM 809 N PHE A 52 5.800 -4.186 3.248 1.00 0.00 N ATOM 810 CA PHE A 52 4.843 -4.802 4.152 1.00 0.00 C ATOM 811 C PHE A 52 5.270 -4.620 5.609 1.00 0.00 C ATOM 812 O PHE A 52 6.404 -4.930 5.971 1.00 0.00 O ATOM 813 CB PHE A 52 4.816 -6.296 3.824 1.00 0.00 C ATOM 814 CG PHE A 52 4.248 -7.169 4.944 1.00 0.00 C ATOM 815 CD1 PHE A 52 5.072 -7.656 5.911 1.00 0.00 C ATOM 816 CD2 PHE A 52 2.920 -7.459 4.974 1.00 0.00 C ATOM 817 CE1 PHE A 52 4.545 -8.466 6.951 1.00 0.00 C ATOM 818 CE2 PHE A 52 2.393 -8.269 6.015 1.00 0.00 C ATOM 819 CZ PHE A 52 3.217 -8.756 6.981 1.00 0.00 C ATOM 0 H PHE A 52 6.335 -4.843 2.681 1.00 0.00 H new ATOM 0 HA PHE A 52 3.863 -4.340 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.223 -6.449 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.830 -6.626 3.599 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.127 -7.426 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.266 -7.073 4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.199 -8.852 7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.338 -8.498 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.817 -9.373 7.772 1.00 0.00 H new ATOM 829 N ASP A 53 4.339 -4.118 6.407 1.00 0.00 N ATOM 830 CA ASP A 53 4.604 -3.891 7.817 1.00 0.00 C ATOM 831 C ASP A 53 4.267 -5.157 8.606 1.00 0.00 C ATOM 832 O ASP A 53 3.761 -6.127 8.043 1.00 0.00 O ATOM 833 CB ASP A 53 3.743 -2.750 8.363 1.00 0.00 C ATOM 834 CG ASP A 53 4.305 -2.051 9.603 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.374 -1.419 9.461 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.653 -2.165 10.663 1.00 0.00 O ATOM 0 H ASP A 53 3.400 -3.862 6.103 1.00 0.00 H new ATOM 0 HA ASP A 53 5.657 -3.631 7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.608 -2.008 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.755 -3.143 8.603 1.00 0.00 H new ATOM 841 N ASP A 54 4.561 -5.108 9.897 1.00 0.00 N ATOM 842 CA ASP A 54 4.295 -6.240 10.769 1.00 0.00 C ATOM 843 C ASP A 54 2.788 -6.353 11.005 1.00 0.00 C ATOM 844 O ASP A 54 2.238 -7.453 11.012 1.00 0.00 O ATOM 845 CB ASP A 54 4.974 -6.060 12.128 1.00 0.00 C ATOM 846 CG ASP A 54 6.404 -6.599 12.212 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.550 -7.837 12.127 1.00 0.00 O ATOM 848 OD2 ASP A 54 7.319 -5.759 12.360 1.00 0.00 O ATOM 0 H ASP A 54 4.981 -4.302 10.360 1.00 0.00 H new ATOM 0 HA ASP A 54 4.685 -7.136 10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.987 -4.998 12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.370 -6.555 12.888 1.00 0.00 H new ATOM 853 N THR A 55 2.162 -5.200 11.193 1.00 0.00 N ATOM 854 CA THR A 55 0.729 -5.156 11.429 1.00 0.00 C ATOM 855 C THR A 55 0.201 -3.733 11.239 1.00 0.00 C ATOM 856 O THR A 55 0.956 -2.828 10.886 1.00 0.00 O ATOM 857 CB THR A 55 0.462 -5.722 12.825 1.00 0.00 C ATOM 858 OG1 THR A 55 -0.851 -6.267 12.733 1.00 0.00 O ATOM 859 CG2 THR A 55 0.338 -4.627 13.887 1.00 0.00 C ATOM 0 H THR A 55 2.621 -4.289 11.187 1.00 0.00 H new ATOM 0 HA THR A 55 0.190 -5.768 10.706 1.00 0.00 H new ATOM 0 HB THR A 55 1.266 -6.405 13.100 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.104 -6.657 13.595 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.149 -5.083 14.859 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.264 -4.054 13.929 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.488 -3.963 13.631 1.00 0.00 H new ATOM 867 N VAL A 56 -1.092 -3.579 11.482 1.00 0.00 N ATOM 868 CA VAL A 56 -1.730 -2.281 11.342 1.00 0.00 C ATOM 869 C VAL A 56 -1.512 -1.469 12.621 1.00 0.00 C ATOM 870 O VAL A 56 -1.289 -2.036 13.689 1.00 0.00 O ATOM 871 CB VAL A 56 -3.209 -2.459 10.992 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.102 -1.732 11.999 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.496 -1.989 9.565 1.00 0.00 C ATOM 0 H VAL A 56 -1.715 -4.331 11.775 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.281 -1.722 10.521 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.440 -3.523 11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.148 -1.875 11.727 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.928 -2.135 12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.867 -0.668 11.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.554 -2.127 9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.240 -0.934 9.471 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.899 -2.571 8.863 1.00 0.00 H new ATOM 883 N GLU A 57 -1.585 -0.155 12.469 1.00 0.00 N ATOM 884 CA GLU A 57 -1.398 0.740 13.599 1.00 0.00 C ATOM 885 C GLU A 57 -2.738 1.016 14.284 1.00 0.00 C ATOM 886 O GLU A 57 -3.792 0.658 13.762 1.00 0.00 O ATOM 887 CB GLU A 57 -0.727 2.043 13.161 1.00 0.00 C ATOM 888 CG GLU A 57 0.394 1.772 12.155 1.00 0.00 C ATOM 889 CD GLU A 57 1.643 2.587 12.494 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.638 3.795 12.171 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.576 1.985 13.068 1.00 0.00 O ATOM 0 H GLU A 57 -1.771 0.312 11.581 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.738 0.254 14.318 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.468 2.706 12.715 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.322 2.558 14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.638 0.710 12.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.054 2.022 11.150 1.00 0.00 H new ATOM 898 N GLU A 58 -2.653 1.650 15.444 1.00 0.00 N ATOM 899 CA GLU A 58 -3.845 1.979 16.207 1.00 0.00 C ATOM 900 C GLU A 58 -4.407 3.329 15.758 1.00 0.00 C ATOM 901 O GLU A 58 -5.120 3.990 16.511 1.00 0.00 O ATOM 902 CB GLU A 58 -3.553 1.979 17.709 1.00 0.00 C ATOM 903 CG GLU A 58 -4.845 1.854 18.519 1.00 0.00 C ATOM 904 CD GLU A 58 -4.802 0.629 19.434 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.118 0.722 20.476 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.455 -0.374 19.071 1.00 0.00 O ATOM 0 H GLU A 58 -1.777 1.945 15.874 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.597 1.213 16.017 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.885 1.153 17.953 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.036 2.899 17.982 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.992 2.754 19.117 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.696 1.778 17.843 1.00 0.00 H new ATOM 913 N GLY A 59 -4.065 3.699 14.532 1.00 0.00 N ATOM 914 CA GLY A 59 -4.526 4.958 13.974 1.00 0.00 C ATOM 915 C GLY A 59 -3.937 5.189 12.581 1.00 0.00 C ATOM 916 O GLY A 59 -3.182 6.138 12.372 1.00 0.00 O ATOM 0 H GLY A 59 -3.474 3.148 13.910 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.615 4.958 13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.242 5.778 14.633 1.00 0.00 H new ATOM 920 N ASP A 60 -4.304 4.306 11.664 1.00 0.00 N ATOM 921 CA ASP A 60 -3.821 4.402 10.297 1.00 0.00 C ATOM 922 C ASP A 60 -4.978 4.136 9.332 1.00 0.00 C ATOM 923 O ASP A 60 -5.761 3.210 9.537 1.00 0.00 O ATOM 924 CB ASP A 60 -2.730 3.364 10.025 1.00 0.00 C ATOM 925 CG ASP A 60 -1.446 3.923 9.409 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.459 5.123 9.061 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.480 3.137 9.300 1.00 0.00 O ATOM 0 H ASP A 60 -4.930 3.521 11.841 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.412 5.402 10.153 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.479 2.868 10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.133 2.601 9.359 1.00 0.00 H new ATOM 932 N HIS A 61 -5.050 4.966 8.302 1.00 0.00 N ATOM 933 CA HIS A 61 -6.098 4.832 7.305 1.00 0.00 C ATOM 934 C HIS A 61 -5.895 3.536 6.517 1.00 0.00 C ATOM 935 O HIS A 61 -5.204 3.526 5.499 1.00 0.00 O ATOM 936 CB HIS A 61 -6.156 6.069 6.407 1.00 0.00 C ATOM 937 CG HIS A 61 -6.256 7.372 7.163 1.00 0.00 C ATOM 938 ND1 HIS A 61 -6.042 7.466 8.527 1.00 0.00 N ATOM 939 CD2 HIS A 61 -6.548 8.633 6.732 1.00 0.00 C ATOM 940 CE1 HIS A 61 -6.202 8.730 8.890 1.00 0.00 C ATOM 941 NE2 HIS A 61 -6.516 9.452 7.776 1.00 0.00 N ATOM 0 H HIS A 61 -4.399 5.734 8.136 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.068 4.768 7.799 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.265 6.092 5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.013 5.981 5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.768 8.917 5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.101 9.120 9.892 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.696 10.456 7.750 1.00 0.00 H new ATOM 949 N VAL A 62 -6.509 2.474 7.017 1.00 0.00 N ATOM 950 CA VAL A 62 -6.404 1.176 6.372 1.00 0.00 C ATOM 951 C VAL A 62 -7.307 1.150 5.138 1.00 0.00 C ATOM 952 O VAL A 62 -8.525 1.280 5.252 1.00 0.00 O ATOM 953 CB VAL A 62 -6.729 0.067 7.374 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.174 -0.411 7.214 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.748 -1.099 7.239 1.00 0.00 C ATOM 0 H VAL A 62 -7.081 2.486 7.861 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.384 1.000 6.032 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.622 0.480 8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.379 -1.199 7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.854 0.424 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.320 -0.798 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.002 -1.874 7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.808 -1.510 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.734 -0.745 7.427 1.00 0.00 H new ATOM 965 N PHE A 63 -6.676 0.982 3.985 1.00 0.00 N ATOM 966 CA PHE A 63 -7.407 0.937 2.731 1.00 0.00 C ATOM 967 C PHE A 63 -7.279 -0.437 2.070 1.00 0.00 C ATOM 968 O PHE A 63 -6.180 -0.859 1.714 1.00 0.00 O ATOM 969 CB PHE A 63 -6.786 1.991 1.812 1.00 0.00 C ATOM 970 CG PHE A 63 -7.796 2.709 0.916 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.958 3.181 1.443 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.533 2.876 -0.408 1.00 0.00 C ATOM 973 CE1 PHE A 63 -9.895 3.848 0.611 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.471 3.543 -1.240 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.632 4.015 -0.713 1.00 0.00 C ATOM 0 H PHE A 63 -5.666 0.875 3.893 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.465 1.127 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.268 2.730 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.034 1.513 1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.168 3.048 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.611 2.501 -0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.817 4.223 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.262 3.675 -2.291 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.345 4.522 -1.346 1.00 0.00 H new ATOM 985 N GLU A 64 -8.418 -1.098 1.926 1.00 0.00 N ATOM 986 CA GLU A 64 -8.447 -2.416 1.315 1.00 0.00 C ATOM 987 C GLU A 64 -8.019 -2.330 -0.152 1.00 0.00 C ATOM 988 O GLU A 64 -8.397 -1.397 -0.859 1.00 0.00 O ATOM 989 CB GLU A 64 -9.833 -3.050 1.445 1.00 0.00 C ATOM 990 CG GLU A 64 -10.252 -3.157 2.913 1.00 0.00 C ATOM 991 CD GLU A 64 -11.694 -3.653 3.037 1.00 0.00 C ATOM 992 OE1 GLU A 64 -11.876 -4.888 2.982 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.582 -2.785 3.185 1.00 0.00 O ATOM 0 H GLU A 64 -9.328 -0.745 2.222 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.740 -3.056 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.563 -2.453 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.827 -4.041 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.583 -3.839 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.156 -2.184 3.394 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.237 -3.316 -0.565 1.00 0.00 N ATOM 1001 CA TYR A 65 -6.753 -3.363 -1.934 1.00 0.00 C ATOM 1002 C TYR A 65 -7.237 -4.630 -2.643 1.00 0.00 C ATOM 1003 O TYR A 65 -8.141 -5.310 -2.159 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.226 -3.397 -1.842 1.00 0.00 C ATOM 1005 CG TYR A 65 -4.558 -2.042 -2.086 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.272 -0.876 -1.895 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -3.242 -1.986 -2.497 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.643 0.399 -2.125 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -2.614 -0.711 -2.727 1.00 0.00 C ATOM 1010 CZ TYR A 65 -3.345 0.419 -2.530 1.00 0.00 C ATOM 1011 OH TYR A 65 -2.752 1.623 -2.747 1.00 0.00 O ATOM 0 H TYR A 65 -6.926 -4.089 0.024 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.118 -2.506 -2.499 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.940 -3.759 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.844 -4.115 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.302 -0.920 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.683 -2.898 -2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.190 1.319 -1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.585 -0.653 -3.049 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.435 2.287 -2.977 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.613 -4.910 -3.778 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.969 -6.083 -4.558 1.00 0.00 C ATOM 1023 C ASP A 66 -6.584 -7.343 -3.780 1.00 0.00 C ATOM 1024 O ASP A 66 -5.647 -8.046 -4.154 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.220 -6.105 -5.892 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.904 -6.903 -7.004 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.153 -6.948 -6.985 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.162 -7.450 -7.849 1.00 0.00 O ATOM 0 H ASP A 66 -5.863 -4.345 -4.176 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.042 -6.050 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.085 -5.078 -6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.226 -6.520 -5.727 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.329 -7.590 -2.712 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.078 -8.753 -1.878 1.00 0.00 C ATOM 1035 C GLY A 67 -5.892 -8.511 -0.942 1.00 0.00 C ATOM 1036 O GLY A 67 -5.291 -9.458 -0.438 1.00 0.00 O ATOM 0 H GLY A 67 -8.106 -7.005 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.968 -8.983 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.878 -9.620 -2.508 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.592 -7.237 -0.737 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.489 -6.858 0.130 1.00 0.00 C ATOM 1042 C VAL A 68 -4.907 -5.661 0.986 1.00 0.00 C ATOM 1043 O VAL A 68 -5.909 -5.008 0.700 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.236 -6.587 -0.705 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.060 -6.182 0.186 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.879 -7.799 -1.568 1.00 0.00 C ATOM 0 H VAL A 68 -6.093 -6.454 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.240 -7.673 0.810 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.453 -5.753 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.182 -5.995 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.315 -5.276 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.843 -6.985 0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.985 -7.580 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.692 -8.660 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.706 -8.022 -2.242 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.118 -5.410 2.021 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.395 -4.303 2.921 1.00 0.00 C ATOM 1058 C LYS A 69 -3.323 -3.226 2.742 1.00 0.00 C ATOM 1059 O LYS A 69 -2.172 -3.535 2.437 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.528 -4.804 4.361 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.813 -5.615 4.542 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.516 -6.980 5.167 1.00 0.00 C ATOM 1063 CE LYS A 69 -6.674 -7.439 6.055 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.734 -8.917 6.105 1.00 0.00 N ATOM 0 H LYS A 69 -3.288 -5.954 2.256 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.353 -3.844 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.666 -5.420 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.529 -3.956 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.509 -5.065 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.300 -5.751 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.343 -7.714 4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.601 -6.923 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.549 -7.040 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.614 -7.044 5.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.525 -9.212 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.876 -9.291 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.843 -9.288 6.493 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.739 -1.984 2.938 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.829 -0.859 2.802 1.00 0.00 C ATOM 1080 C VAL A 70 -3.151 0.184 3.874 1.00 0.00 C ATOM 1081 O VAL A 70 -4.296 0.301 4.308 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.901 -0.298 1.380 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.036 0.957 1.242 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.499 -1.356 0.352 1.00 0.00 C ATOM 0 H VAL A 70 -4.695 -1.731 3.190 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.799 -1.179 2.959 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.935 -0.016 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.105 1.336 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.388 1.720 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.999 0.711 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.559 -0.931 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.478 -1.683 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.173 -2.209 0.425 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.120 0.916 4.270 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.278 1.945 5.283 1.00 0.00 C ATOM 1096 C VAL A 71 -1.315 3.098 4.987 1.00 0.00 C ATOM 1097 O VAL A 71 -0.288 2.903 4.339 1.00 0.00 O ATOM 1098 CB VAL A 71 -2.080 1.344 6.676 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.583 -0.100 6.725 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.615 1.430 7.107 1.00 0.00 C ATOM 0 H VAL A 71 -1.172 0.817 3.907 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.289 2.351 5.260 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.671 1.929 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.431 -0.504 7.726 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.645 -0.124 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.032 -0.702 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.502 0.996 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.006 0.881 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.303 2.474 7.130 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.682 4.273 5.477 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.864 5.457 5.273 1.00 0.00 C ATOM 1112 C ILE A 72 -0.913 6.327 6.530 1.00 0.00 C ATOM 1113 O ILE A 72 -1.967 6.473 7.148 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.291 6.190 4.000 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.234 5.261 2.786 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.458 7.457 3.792 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.579 4.566 2.564 1.00 0.00 C ATOM 0 H ILE A 72 -2.534 4.431 6.015 1.00 0.00 H new ATOM 0 HA ILE A 72 0.178 5.179 5.118 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.329 6.502 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.965 5.833 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.454 4.514 2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.781 7.959 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.594 8.125 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.595 7.190 3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.511 3.911 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.833 3.975 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.352 5.315 2.394 1.00 0.00 H new ATOM 1129 N ASP A 73 0.240 6.883 6.872 1.00 0.00 N ATOM 1130 CA ASP A 73 0.343 7.735 8.044 1.00 0.00 C ATOM 1131 C ASP A 73 -0.595 8.933 7.882 1.00 0.00 C ATOM 1132 O ASP A 73 -1.045 9.228 6.776 1.00 0.00 O ATOM 1133 CB ASP A 73 1.766 8.269 8.215 1.00 0.00 C ATOM 1134 CG ASP A 73 2.445 7.890 9.532 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.407 6.686 9.865 1.00 0.00 O ATOM 1136 OD2 ASP A 73 2.987 8.814 10.177 1.00 0.00 O ATOM 0 H ASP A 73 1.112 6.760 6.357 1.00 0.00 H new ATOM 0 HA ASP A 73 0.074 7.140 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.377 7.903 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.742 9.356 8.136 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.870 9.607 9.030 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.746 10.766 9.026 1.00 0.00 C ATOM 1143 C PRO A 74 -1.037 11.988 8.438 1.00 0.00 C ATOM 1144 O PRO A 74 -1.678 12.861 7.855 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.152 10.958 10.478 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.129 10.193 11.302 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.356 9.286 10.358 1.00 0.00 C ATOM 0 HA PRO A 74 -2.624 10.626 8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.157 12.015 10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.158 10.579 10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.453 10.883 11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.624 9.606 12.076 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.716 9.470 10.422 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.515 8.235 10.600 1.00 0.00 H new ATOM 1155 N PHE A 75 0.276 12.010 8.610 1.00 0.00 N ATOM 1156 CA PHE A 75 1.079 13.109 8.103 1.00 0.00 C ATOM 1157 C PHE A 75 1.360 12.940 6.609 1.00 0.00 C ATOM 1158 O PHE A 75 1.687 13.906 5.921 1.00 0.00 O ATOM 1159 CB PHE A 75 2.406 13.083 8.865 1.00 0.00 C ATOM 1160 CG PHE A 75 2.827 14.443 9.427 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.395 14.834 10.656 1.00 0.00 C ATOM 1162 CD2 PHE A 75 3.634 15.259 8.698 1.00 0.00 C ATOM 1163 CE1 PHE A 75 2.786 16.096 11.177 1.00 0.00 C ATOM 1164 CE2 PHE A 75 4.026 16.520 9.219 1.00 0.00 C ATOM 1165 CZ PHE A 75 3.593 16.912 10.448 1.00 0.00 C ATOM 0 H PHE A 75 0.804 11.284 9.094 1.00 0.00 H new ATOM 0 HA PHE A 75 0.548 14.051 8.241 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.328 12.370 9.686 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.188 12.718 8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.755 14.185 11.235 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.977 14.948 7.722 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.442 16.408 12.152 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.668 17.168 8.640 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.890 17.872 10.844 1.00 0.00 H new ATOM 1175 N SER A 76 1.223 11.705 6.150 1.00 0.00 N ATOM 1176 CA SER A 76 1.457 11.396 4.749 1.00 0.00 C ATOM 1177 C SER A 76 0.166 11.579 3.950 1.00 0.00 C ATOM 1178 O SER A 76 0.201 11.694 2.725 1.00 0.00 O ATOM 1179 CB SER A 76 1.989 9.971 4.581 1.00 0.00 C ATOM 1180 OG SER A 76 1.659 9.425 3.307 1.00 0.00 O ATOM 0 H SER A 76 0.953 10.906 6.723 1.00 0.00 H new ATOM 0 HA SER A 76 2.212 12.084 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.072 9.971 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.578 9.336 5.365 1.00 0.00 H new ATOM 0 HG SER A 76 2.465 9.053 2.892 1.00 0.00 H new ATOM 1186 N MET A 77 -0.943 11.599 4.674 1.00 0.00 N ATOM 1187 CA MET A 77 -2.243 11.765 4.047 1.00 0.00 C ATOM 1188 C MET A 77 -2.286 13.041 3.203 1.00 0.00 C ATOM 1189 O MET A 77 -2.681 13.006 2.039 1.00 0.00 O ATOM 1190 CB MET A 77 -3.326 11.830 5.126 1.00 0.00 C ATOM 1191 CG MET A 77 -4.479 10.877 4.804 1.00 0.00 C ATOM 1192 SD MET A 77 -5.584 11.634 3.624 1.00 0.00 S ATOM 1193 CE MET A 77 -5.193 10.671 2.172 1.00 0.00 C ATOM 0 H MET A 77 -0.968 11.503 5.689 1.00 0.00 H new ATOM 0 HA MET A 77 -2.421 10.912 3.392 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.896 11.572 6.094 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.704 12.849 5.206 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.088 9.943 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.022 10.628 5.716 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.946 10.849 1.404 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.213 10.963 1.794 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.181 9.612 2.430 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.863 14.165 3.840 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.850 15.450 3.161 1.00 0.00 C ATOM 1205 C PRO A 78 -0.688 15.533 2.169 1.00 0.00 C ATOM 1206 O PRO A 78 -0.464 16.576 1.556 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.756 16.482 4.273 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.255 15.732 5.496 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.389 14.244 5.219 1.00 0.00 C ATOM 0 HA PRO A 78 -2.742 15.616 2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.073 17.287 4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.727 16.938 4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.216 15.990 5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.833 16.010 6.377 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.435 13.731 5.340 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.092 13.775 5.907 1.00 0.00 H new ATOM 1217 N TYR A 79 0.021 14.421 2.042 1.00 0.00 N ATOM 1218 CA TYR A 79 1.154 14.355 1.135 1.00 0.00 C ATOM 1219 C TYR A 79 0.824 13.506 -0.095 1.00 0.00 C ATOM 1220 O TYR A 79 1.268 13.810 -1.201 1.00 0.00 O ATOM 1221 CB TYR A 79 2.282 13.679 1.918 1.00 0.00 C ATOM 1222 CG TYR A 79 3.580 14.487 1.961 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.910 15.319 0.911 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.421 14.384 3.051 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.133 16.080 0.952 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.643 15.144 3.092 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.939 15.955 2.040 1.00 0.00 C ATOM 1228 OH TYR A 79 7.093 16.673 2.079 1.00 0.00 O ATOM 0 H TYR A 79 -0.167 13.558 2.552 1.00 0.00 H new ATOM 0 HA TYR A 79 1.425 15.352 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.944 13.498 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.487 12.705 1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.252 15.400 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.162 13.733 3.873 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.403 16.735 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.310 15.072 3.939 1.00 0.00 H new ATOM 0 HH TYR A 79 7.567 16.485 2.916 1.00 0.00 H new ATOM 1238 N VAL A 80 0.046 12.460 0.140 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.350 11.566 -0.935 1.00 0.00 C ATOM 1240 C VAL A 80 -1.874 11.436 -0.950 1.00 0.00 C ATOM 1241 O VAL A 80 -2.406 10.326 -0.965 1.00 0.00 O ATOM 1242 CB VAL A 80 0.364 10.221 -0.786 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.875 10.378 -0.969 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.039 9.574 0.562 1.00 0.00 C ATOM 0 H VAL A 80 -0.321 12.211 1.059 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.050 11.973 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.001 9.560 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.358 9.407 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.082 10.775 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.263 11.064 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.559 8.619 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.362 10.232 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.036 9.409 0.637 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.534 12.584 -0.945 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.987 12.613 -0.958 1.00 0.00 C ATOM 1256 C ASN A 81 -4.476 12.820 -2.392 1.00 0.00 C ATOM 1257 O ASN A 81 -3.958 13.673 -3.112 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.523 13.764 -0.104 1.00 0.00 C ATOM 1259 CG ASN A 81 -5.956 14.122 -0.504 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -6.232 15.184 -1.038 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -6.849 13.180 -0.216 1.00 0.00 N ATOM 0 H ASN A 81 -2.089 13.502 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.347 11.667 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.495 13.484 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.881 14.637 -0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.833 13.324 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.550 12.314 0.232 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.469 12.026 -2.765 1.00 0.00 N ATOM 1269 CA GLY A 82 -6.034 12.112 -4.101 1.00 0.00 C ATOM 1270 C GLY A 82 -4.933 12.122 -5.163 1.00 0.00 C ATOM 1271 O GLY A 82 -4.787 13.095 -5.902 1.00 0.00 O ATOM 0 H GLY A 82 -5.897 11.320 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.702 11.268 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.636 13.017 -4.188 1.00 0.00 H new ATOM 1275 N ALA A 83 -4.186 11.029 -5.206 1.00 0.00 N ATOM 1276 CA ALA A 83 -3.102 10.900 -6.165 1.00 0.00 C ATOM 1277 C ALA A 83 -2.857 9.418 -6.455 1.00 0.00 C ATOM 1278 O ALA A 83 -3.536 8.553 -5.904 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.854 11.601 -5.623 1.00 0.00 C ATOM 0 H ALA A 83 -4.310 10.224 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.364 11.382 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.041 11.504 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.071 12.657 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.560 11.142 -4.679 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.885 9.170 -7.321 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.543 7.807 -7.691 1.00 0.00 C ATOM 1287 C GLU A 84 -0.023 7.628 -7.711 1.00 0.00 C ATOM 1288 O GLU A 84 0.708 8.542 -8.091 1.00 0.00 O ATOM 1289 CB GLU A 84 -2.156 7.436 -9.043 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.501 8.225 -10.178 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.309 8.099 -11.471 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -2.569 6.942 -11.867 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -2.647 9.161 -12.035 1.00 0.00 O ATOM 0 H GLU A 84 -1.324 9.890 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.959 7.133 -6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.034 6.368 -9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.227 7.636 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.420 9.275 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.487 7.860 -10.342 1.00 0.00 H new ATOM 1300 N LEU A 85 0.407 6.446 -7.297 1.00 0.00 N ATOM 1301 CA LEU A 85 1.826 6.136 -7.262 1.00 0.00 C ATOM 1302 C LEU A 85 2.071 4.809 -7.984 1.00 0.00 C ATOM 1303 O LEU A 85 1.585 3.765 -7.553 1.00 0.00 O ATOM 1304 CB LEU A 85 2.344 6.158 -5.823 1.00 0.00 C ATOM 1305 CG LEU A 85 3.027 4.878 -5.336 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.299 4.597 -6.137 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.299 4.940 -3.831 1.00 0.00 C ATOM 0 H LEU A 85 -0.202 5.691 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 85 2.396 6.899 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.050 6.983 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.507 6.374 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 85 2.348 4.042 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.765 3.682 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.047 4.479 -7.191 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.993 5.429 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.785 4.018 -3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.949 5.787 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.357 5.059 -3.296 1.00 0.00 H new ATOM 1319 N ASP A 86 2.826 4.894 -9.069 1.00 0.00 N ATOM 1320 CA ASP A 86 3.142 3.713 -9.855 1.00 0.00 C ATOM 1321 C ASP A 86 4.506 3.169 -9.423 1.00 0.00 C ATOM 1322 O ASP A 86 5.541 3.745 -9.754 1.00 0.00 O ATOM 1323 CB ASP A 86 3.217 4.047 -11.346 1.00 0.00 C ATOM 1324 CG ASP A 86 3.984 5.327 -11.684 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.527 6.398 -11.231 1.00 0.00 O ATOM 1326 OD2 ASP A 86 5.009 5.204 -12.389 1.00 0.00 O ATOM 0 H ASP A 86 3.228 5.762 -9.423 1.00 0.00 H new ATOM 0 HA ASP A 86 2.355 2.977 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.686 3.212 -11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.202 4.136 -11.735 1.00 0.00 H new ATOM 1331 N TYR A 87 4.463 2.065 -8.692 1.00 0.00 N ATOM 1332 CA TYR A 87 5.682 1.437 -8.212 1.00 0.00 C ATOM 1333 C TYR A 87 6.264 0.493 -9.266 1.00 0.00 C ATOM 1334 O TYR A 87 5.579 -0.412 -9.741 1.00 0.00 O ATOM 1335 CB TYR A 87 5.280 0.621 -6.981 1.00 0.00 C ATOM 1336 CG TYR A 87 6.367 0.538 -5.908 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.039 1.678 -5.517 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.675 -0.677 -5.330 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.062 1.600 -4.507 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.698 -0.755 -4.320 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.341 0.388 -3.958 1.00 0.00 C ATOM 1342 OH TYR A 87 9.307 0.314 -3.003 1.00 0.00 O ATOM 0 H TYR A 87 3.603 1.589 -8.420 1.00 0.00 H new ATOM 0 HA TYR A 87 6.438 2.189 -7.987 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.384 1.061 -6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 87 5.018 -0.389 -7.297 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.798 2.629 -5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.149 -1.569 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.596 2.485 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.949 -1.699 -3.860 1.00 0.00 H new ATOM 0 HH TYR A 87 9.398 -0.614 -2.701 1.00 0.00 H new ATOM 1352 N VAL A 88 7.522 0.738 -9.603 1.00 0.00 N ATOM 1353 CA VAL A 88 8.204 -0.079 -10.592 1.00 0.00 C ATOM 1354 C VAL A 88 9.083 -1.109 -9.879 1.00 0.00 C ATOM 1355 O VAL A 88 9.589 -0.850 -8.789 1.00 0.00 O ATOM 1356 CB VAL A 88 8.990 0.814 -11.555 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.009 -0.004 -12.352 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.048 1.577 -12.488 1.00 0.00 C ATOM 0 H VAL A 88 8.086 1.491 -9.209 1.00 0.00 H new ATOM 0 HA VAL A 88 7.483 -0.630 -11.195 1.00 0.00 H new ATOM 0 HB VAL A 88 9.538 1.546 -10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.554 0.654 -13.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.710 -0.480 -11.666 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.490 -0.769 -12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.632 2.204 -13.162 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.460 0.868 -13.071 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.380 2.204 -11.897 1.00 0.00 H new ATOM 1368 N VAL A 89 9.237 -2.255 -10.525 1.00 0.00 N ATOM 1369 CA VAL A 89 10.046 -3.326 -9.966 1.00 0.00 C ATOM 1370 C VAL A 89 11.047 -3.805 -11.019 1.00 0.00 C ATOM 1371 O VAL A 89 10.678 -4.512 -11.956 1.00 0.00 O ATOM 1372 CB VAL A 89 9.144 -4.446 -9.446 1.00 0.00 C ATOM 1373 CG1 VAL A 89 9.940 -5.443 -8.600 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.963 -3.877 -8.656 1.00 0.00 C ATOM 0 H VAL A 89 8.816 -2.466 -11.430 1.00 0.00 H new ATOM 0 HA VAL A 89 10.619 -2.966 -9.112 1.00 0.00 H new ATOM 0 HB VAL A 89 8.744 -4.981 -10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.275 -6.229 -8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.731 -5.885 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.382 -4.926 -7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.337 -4.694 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.335 -3.305 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.374 -3.225 -9.301 1.00 0.00 H new ATOM 1384 N ASP A 90 12.295 -3.402 -10.830 1.00 0.00 N ATOM 1385 CA ASP A 90 13.352 -3.781 -11.752 1.00 0.00 C ATOM 1386 C ASP A 90 14.686 -3.823 -11.002 1.00 0.00 C ATOM 1387 O ASP A 90 14.722 -4.120 -9.809 1.00 0.00 O ATOM 1388 CB ASP A 90 13.482 -2.767 -12.889 1.00 0.00 C ATOM 1389 CG ASP A 90 12.155 -2.265 -13.462 1.00 0.00 C ATOM 1390 OD1 ASP A 90 11.307 -3.130 -13.773 1.00 0.00 O ATOM 1391 OD2 ASP A 90 12.018 -1.028 -13.577 1.00 0.00 O ATOM 0 H ASP A 90 12.598 -2.817 -10.052 1.00 0.00 H new ATOM 0 HA ASP A 90 13.103 -4.758 -12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.052 -1.911 -12.529 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.061 -3.219 -13.695 1.00 0.00 H new ATOM 1396 N PHE A 91 15.749 -3.522 -11.733 1.00 0.00 N ATOM 1397 CA PHE A 91 17.081 -3.522 -11.152 1.00 0.00 C ATOM 1398 C PHE A 91 17.165 -2.551 -9.973 1.00 0.00 C ATOM 1399 O PHE A 91 18.117 -2.593 -9.196 1.00 0.00 O ATOM 1400 CB PHE A 91 18.046 -3.061 -12.247 1.00 0.00 C ATOM 1401 CG PHE A 91 19.461 -3.625 -12.106 1.00 0.00 C ATOM 1402 CD1 PHE A 91 19.736 -4.887 -12.531 1.00 0.00 C ATOM 1403 CD2 PHE A 91 20.444 -2.863 -11.555 1.00 0.00 C ATOM 1404 CE1 PHE A 91 21.050 -5.410 -12.400 1.00 0.00 C ATOM 1405 CE2 PHE A 91 21.758 -3.386 -11.424 1.00 0.00 C ATOM 1406 CZ PHE A 91 22.033 -4.649 -11.850 1.00 0.00 C ATOM 0 H PHE A 91 15.715 -3.276 -12.722 1.00 0.00 H new ATOM 0 HA PHE A 91 17.327 -4.518 -10.785 1.00 0.00 H new ATOM 0 HB2 PHE A 91 17.645 -3.353 -13.217 1.00 0.00 H new ATOM 0 HB3 PHE A 91 18.097 -1.972 -12.237 1.00 0.00 H new ATOM 0 HD1 PHE A 91 18.955 -5.492 -12.968 1.00 0.00 H new ATOM 0 HD2 PHE A 91 20.225 -1.861 -11.217 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.268 -6.412 -12.737 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.539 -2.782 -10.986 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.032 -5.047 -11.751 1.00 0.00 H new ATOM 1416 N MET A 92 16.155 -1.698 -9.877 1.00 0.00 N ATOM 1417 CA MET A 92 16.103 -0.718 -8.806 1.00 0.00 C ATOM 1418 C MET A 92 15.458 -1.310 -7.551 1.00 0.00 C ATOM 1419 O MET A 92 15.063 -0.577 -6.647 1.00 0.00 O ATOM 1420 CB MET A 92 15.298 0.500 -9.266 1.00 0.00 C ATOM 1421 CG MET A 92 16.195 1.734 -9.392 1.00 0.00 C ATOM 1422 SD MET A 92 15.575 2.810 -10.674 1.00 0.00 S ATOM 1423 CE MET A 92 15.080 4.214 -9.688 1.00 0.00 C ATOM 0 H MET A 92 15.367 -1.666 -10.523 1.00 0.00 H new ATOM 0 HA MET A 92 17.123 -0.421 -8.562 1.00 0.00 H new ATOM 0 HB2 MET A 92 14.828 0.288 -10.226 1.00 0.00 H new ATOM 0 HB3 MET A 92 14.496 0.700 -8.555 1.00 0.00 H new ATOM 0 HG2 MET A 92 16.229 2.268 -8.442 1.00 0.00 H new ATOM 0 HG3 MET A 92 17.216 1.430 -9.623 1.00 0.00 H new ATOM 0 HE1 MET A 92 14.667 4.987 -10.337 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.324 3.904 -8.967 1.00 0.00 H new ATOM 0 HE3 MET A 92 15.946 4.610 -9.158 1.00 0.00 H new ATOM 1433 N GLY A 93 15.373 -2.633 -7.537 1.00 0.00 N ATOM 1434 CA GLY A 93 14.784 -3.332 -6.408 1.00 0.00 C ATOM 1435 C GLY A 93 13.491 -2.651 -5.955 1.00 0.00 C ATOM 1436 O GLY A 93 13.094 -2.774 -4.797 1.00 0.00 O ATOM 0 H GLY A 93 15.702 -3.238 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.577 -4.366 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.494 -3.358 -5.581 1.00 0.00 H new ATOM 1440 N GLY A 94 12.871 -1.947 -6.891 1.00 0.00 N ATOM 1441 CA GLY A 94 11.632 -1.246 -6.602 1.00 0.00 C ATOM 1442 C GLY A 94 11.749 0.240 -6.947 1.00 0.00 C ATOM 1443 O GLY A 94 12.002 1.066 -6.071 1.00 0.00 O ATOM 0 H GLY A 94 13.204 -1.847 -7.850 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.816 -1.692 -7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.383 -1.359 -5.547 1.00 0.00 H new ATOM 1447 N GLY A 95 11.560 0.535 -8.225 1.00 0.00 N ATOM 1448 CA GLY A 95 11.642 1.907 -8.696 1.00 0.00 C ATOM 1449 C GLY A 95 10.350 2.669 -8.392 1.00 0.00 C ATOM 1450 O GLY A 95 9.295 2.350 -8.937 1.00 0.00 O ATOM 0 H GLY A 95 11.350 -0.153 -8.949 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.485 2.409 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.830 1.916 -9.770 1.00 0.00 H new ATOM 1454 N PHE A 96 10.477 3.660 -7.522 1.00 0.00 N ATOM 1455 CA PHE A 96 9.333 4.470 -7.139 1.00 0.00 C ATOM 1456 C PHE A 96 9.053 5.553 -8.184 1.00 0.00 C ATOM 1457 O PHE A 96 9.980 6.109 -8.770 1.00 0.00 O ATOM 1458 CB PHE A 96 9.684 5.140 -5.809 1.00 0.00 C ATOM 1459 CG PHE A 96 11.131 5.627 -5.721 1.00 0.00 C ATOM 1460 CD1 PHE A 96 11.532 6.704 -6.448 1.00 0.00 C ATOM 1461 CD2 PHE A 96 12.018 4.982 -4.915 1.00 0.00 C ATOM 1462 CE1 PHE A 96 12.876 7.156 -6.365 1.00 0.00 C ATOM 1463 CE2 PHE A 96 13.361 5.435 -4.833 1.00 0.00 C ATOM 1464 CZ PHE A 96 13.762 6.512 -5.560 1.00 0.00 C ATOM 0 H PHE A 96 11.354 3.920 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 96 8.445 3.844 -7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.016 5.987 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.499 4.435 -4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 96 10.829 7.216 -7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.700 4.126 -4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.194 8.012 -6.942 1.00 0.00 H new ATOM 0 HE2 PHE A 96 14.065 4.924 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 96 14.784 6.856 -5.498 1.00 0.00 H new ATOM 1474 N THR A 97 7.771 5.820 -8.384 1.00 0.00 N ATOM 1475 CA THR A 97 7.358 6.826 -9.347 1.00 0.00 C ATOM 1476 C THR A 97 5.936 7.303 -9.044 1.00 0.00 C ATOM 1477 O THR A 97 5.064 6.498 -8.720 1.00 0.00 O ATOM 1478 CB THR A 97 7.513 6.232 -10.749 1.00 0.00 C ATOM 1479 OG1 THR A 97 8.887 6.440 -11.064 1.00 0.00 O ATOM 1480 CG2 THR A 97 6.760 7.034 -11.812 1.00 0.00 C ATOM 0 H THR A 97 7.005 5.357 -7.895 1.00 0.00 H new ATOM 0 HA THR A 97 7.986 7.714 -9.283 1.00 0.00 H new ATOM 0 HB THR A 97 7.153 5.203 -10.749 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.375 6.690 -10.251 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.903 6.570 -12.788 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.697 7.050 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.142 8.055 -11.836 1.00 0.00 H new ATOM 1488 N ILE A 98 5.746 8.609 -9.160 1.00 0.00 N ATOM 1489 CA ILE A 98 4.445 9.202 -8.902 1.00 0.00 C ATOM 1490 C ILE A 98 3.985 9.971 -10.143 1.00 0.00 C ATOM 1491 O ILE A 98 4.784 10.645 -10.791 1.00 0.00 O ATOM 1492 CB ILE A 98 4.487 10.054 -7.632 1.00 0.00 C ATOM 1493 CG1 ILE A 98 4.450 9.174 -6.380 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.367 11.096 -7.633 1.00 0.00 C ATOM 1495 CD1 ILE A 98 5.315 9.768 -5.267 1.00 0.00 C ATOM 0 H ILE A 98 6.472 9.273 -9.429 1.00 0.00 H new ATOM 0 HA ILE A 98 3.703 8.426 -8.713 1.00 0.00 H new ATOM 0 HB ILE A 98 5.432 10.597 -7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.422 9.073 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.803 8.172 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.420 11.688 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.480 11.751 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.402 10.592 -7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.271 9.124 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.347 9.845 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 98 4.944 10.760 -5.008 1.00 0.00 H new ATOM 1507 N ARG A 99 2.699 9.843 -10.435 1.00 0.00 N ATOM 1508 CA ARG A 99 2.123 10.517 -11.586 1.00 0.00 C ATOM 1509 C ARG A 99 0.902 11.337 -11.165 1.00 0.00 C ATOM 1510 O ARG A 99 -0.196 10.798 -11.032 1.00 0.00 O ATOM 1511 CB ARG A 99 1.708 9.512 -12.662 1.00 0.00 C ATOM 1512 CG ARG A 99 2.658 9.567 -13.860 1.00 0.00 C ATOM 1513 CD ARG A 99 2.159 8.672 -14.997 1.00 0.00 C ATOM 1514 NE ARG A 99 2.829 9.042 -16.264 1.00 0.00 N ATOM 1515 CZ ARG A 99 2.679 8.374 -17.415 1.00 0.00 C ATOM 1516 NH1 ARG A 99 1.882 7.298 -17.467 1.00 0.00 N ATOM 1517 NH2 ARG A 99 3.326 8.782 -18.516 1.00 0.00 N ATOM 0 H ARG A 99 2.040 9.283 -9.895 1.00 0.00 H new ATOM 0 HA ARG A 99 2.885 11.179 -11.998 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.704 8.506 -12.243 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.691 9.725 -12.990 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.745 10.595 -14.213 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.655 9.250 -13.553 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.359 7.626 -14.762 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.079 8.774 -15.104 1.00 0.00 H new ATOM 0 HE ARG A 99 3.443 9.856 -16.260 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.389 6.987 -16.630 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.768 6.790 -18.344 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.933 9.601 -18.477 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.212 8.273 -19.393 1.00 0.00 H new ATOM 1531 N ASN A 100 1.134 12.626 -10.967 1.00 0.00 N ATOM 1532 CA ASN A 100 0.067 13.526 -10.564 1.00 0.00 C ATOM 1533 C ASN A 100 -1.068 13.454 -11.587 1.00 0.00 C ATOM 1534 O ASN A 100 -0.822 13.424 -12.792 1.00 0.00 O ATOM 1535 CB ASN A 100 0.559 14.973 -10.505 1.00 0.00 C ATOM 1536 CG ASN A 100 -0.516 15.895 -9.927 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -1.412 16.355 -10.615 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -0.378 16.138 -8.626 1.00 0.00 N ATOM 0 H ASN A 100 2.046 13.069 -11.078 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.275 13.221 -9.575 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.459 15.030 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.832 15.309 -11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.046 16.742 -8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.396 15.721 -8.108 1.00 0.00 H new ATOM 1545 N PRO A 101 -2.320 13.428 -11.056 1.00 0.00 N ATOM 1546 CA PRO A 101 -3.494 13.360 -11.909 1.00 0.00 C ATOM 1547 C PRO A 101 -3.767 14.711 -12.575 1.00 0.00 C ATOM 1548 O PRO A 101 -4.745 15.382 -12.248 1.00 0.00 O ATOM 1549 CB PRO A 101 -4.621 12.911 -10.994 1.00 0.00 C ATOM 1550 CG PRO A 101 -4.144 13.192 -9.578 1.00 0.00 C ATOM 1551 CD PRO A 101 -2.650 13.463 -9.634 1.00 0.00 C ATOM 0 HA PRO A 101 -3.371 12.663 -12.738 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.541 13.454 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.837 11.851 -11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.672 14.049 -9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.354 12.342 -8.929 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.406 14.430 -9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.090 12.711 -9.079 1.00 0.00 H new TER 1559 PRO A 101