USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot -30:sc= -2.06! USER MOD Set 1.2: A 39 ASN : amide:sc= -4! C(o=-9.2!,f=-14!) USER MOD Set 1.3: A 43 THR OG1 : rot -74:sc= -3.17! USER MOD Single : A 2 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.65! C(o=-2.7!,f=-5.6!) USER MOD Single : A 12 GLN : amide:sc= -0.3 K(o=-0.3,f=-2.1!) USER MOD Single : A 15 MET CE :methyl -142:sc= -0.557 (180deg=-2.59!) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.0322 (180deg=-0.33) USER MOD Single : A 17 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0777) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 36 MET CE :methyl 147:sc= -0.177 (180deg=-0.884) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -3! (180deg=-5.58!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -147:sc= -0.369 (180deg=-1.88!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 2 -8.995 14.031 0.963 1.00 0.00 N ATOM 11 CA ASN A 2 -9.106 13.104 -0.198 1.00 0.00 C ATOM 12 C ASN A 2 -10.528 13.157 -0.759 1.00 0.00 C ATOM 13 O ASN A 2 -11.496 13.006 -0.040 1.00 0.00 O ATOM 14 CB ASN A 2 -8.789 11.678 0.256 1.00 0.00 C ATOM 15 CG ASN A 2 -8.573 10.788 -0.969 1.00 0.00 C ATOM 16 OD1 ASN A 2 -8.415 11.277 -2.070 1.00 0.00 O ATOM 17 ND2 ASN A 2 -8.559 9.491 -0.824 1.00 0.00 N ATOM 0 HA ASN A 2 -8.399 13.404 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.897 11.674 0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.606 11.288 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.415 8.889 -1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.692 9.080 0.100 1.00 0.00 H new ATOM 18 N GLU A 3 -10.664 13.368 -2.040 1.00 0.00 N ATOM 19 CA GLU A 3 -12.024 13.431 -2.645 1.00 0.00 C ATOM 20 C GLU A 3 -12.708 12.069 -2.502 1.00 0.00 C ATOM 21 O GLU A 3 -13.917 11.976 -2.432 1.00 0.00 O ATOM 22 CB GLU A 3 -11.909 13.791 -4.126 1.00 0.00 C ATOM 23 CG GLU A 3 -13.306 14.026 -4.704 1.00 0.00 C ATOM 24 CD GLU A 3 -13.200 14.285 -6.208 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.089 14.271 -6.714 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.229 14.491 -6.829 1.00 0.00 O ATOM 0 H GLU A 3 -9.892 13.499 -2.693 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.614 14.191 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.298 14.686 -4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.410 12.988 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.939 13.158 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.777 14.876 -4.210 1.00 0.00 H new ATOM 27 N ASP A 4 -11.945 11.011 -2.459 1.00 0.00 N ATOM 28 CA ASP A 4 -12.555 9.659 -2.321 1.00 0.00 C ATOM 29 C ASP A 4 -13.351 9.591 -1.016 1.00 0.00 C ATOM 30 O ASP A 4 -14.283 8.825 -0.887 1.00 0.00 O ATOM 31 CB ASP A 4 -11.450 8.599 -2.301 1.00 0.00 C ATOM 32 CG ASP A 4 -12.055 7.226 -2.595 1.00 0.00 C ATOM 33 OD1 ASP A 4 -13.237 7.172 -2.892 1.00 0.00 O ATOM 34 OD2 ASP A 4 -11.326 6.250 -2.520 1.00 0.00 O ATOM 0 H ASP A 4 -10.927 11.025 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.221 9.473 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.688 8.839 -3.043 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.957 8.590 -1.329 1.00 0.00 H new ATOM 35 N GLN A 5 -12.991 10.390 -0.048 1.00 0.00 N ATOM 36 CA GLN A 5 -13.729 10.373 1.246 1.00 0.00 C ATOM 37 C GLN A 5 -15.161 10.866 1.021 1.00 0.00 C ATOM 38 O GLN A 5 -16.094 10.400 1.644 1.00 0.00 O ATOM 39 CB GLN A 5 -13.027 11.294 2.246 1.00 0.00 C ATOM 40 CG GLN A 5 -11.683 10.686 2.648 1.00 0.00 C ATOM 41 CD GLN A 5 -10.950 11.646 3.589 1.00 0.00 C ATOM 42 OE1 GLN A 5 -11.332 12.791 3.725 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.907 11.224 4.249 1.00 0.00 N ATOM 0 H GLN A 5 -12.218 11.053 -0.098 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.750 9.357 1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.874 12.278 1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.652 11.434 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.839 9.726 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.078 10.496 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.586 10.263 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.412 11.855 4.879 1.00 0.00 H new ATOM 44 N GLU A 6 -15.339 11.807 0.137 1.00 0.00 N ATOM 45 CA GLU A 6 -16.707 12.335 -0.129 1.00 0.00 C ATOM 46 C GLU A 6 -17.628 11.187 -0.546 1.00 0.00 C ATOM 47 O GLU A 6 -18.759 11.096 -0.111 1.00 0.00 O ATOM 48 CB GLU A 6 -16.642 13.372 -1.253 1.00 0.00 C ATOM 49 CG GLU A 6 -17.978 14.110 -1.345 1.00 0.00 C ATOM 50 CD GLU A 6 -17.910 15.151 -2.465 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.858 15.273 -3.071 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.912 15.808 -2.697 1.00 0.00 O ATOM 0 H GLU A 6 -14.595 12.235 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.098 12.801 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.836 14.080 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.419 12.883 -2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.784 13.402 -1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.203 14.596 -0.396 1.00 0.00 H new ATOM 53 N MET A 7 -17.154 10.313 -1.391 1.00 0.00 N ATOM 54 CA MET A 7 -18.004 9.175 -1.839 1.00 0.00 C ATOM 55 C MET A 7 -18.286 8.245 -0.657 1.00 0.00 C ATOM 56 O MET A 7 -19.232 7.483 -0.668 1.00 0.00 O ATOM 57 CB MET A 7 -17.272 8.398 -2.934 1.00 0.00 C ATOM 58 CG MET A 7 -17.067 9.302 -4.150 1.00 0.00 C ATOM 59 SD MET A 7 -15.905 8.519 -5.296 1.00 0.00 S ATOM 60 CE MET A 7 -15.965 9.791 -6.581 1.00 0.00 C ATOM 0 H MET A 7 -16.216 10.338 -1.790 1.00 0.00 H new ATOM 0 HA MET A 7 -18.947 9.558 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.310 8.045 -2.563 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.847 7.516 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.020 9.481 -4.648 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.685 10.273 -3.834 1.00 0.00 H new ATOM 0 HE1 MET A 7 -15.308 9.508 -7.404 1.00 0.00 H new ATOM 0 HE2 MET A 7 -16.986 9.888 -6.949 1.00 0.00 H new ATOM 0 HE3 MET A 7 -15.637 10.744 -6.165 1.00 0.00 H new ATOM 61 N CYS A 8 -17.473 8.300 0.363 1.00 0.00 N ATOM 62 CA CYS A 8 -17.700 7.416 1.540 1.00 0.00 C ATOM 63 C CYS A 8 -18.888 7.937 2.347 1.00 0.00 C ATOM 64 O CYS A 8 -19.675 7.173 2.869 1.00 0.00 O ATOM 65 CB CYS A 8 -16.446 7.402 2.417 1.00 0.00 C ATOM 66 SG CYS A 8 -15.059 6.720 1.471 1.00 0.00 S ATOM 0 H CYS A 8 -16.664 8.917 0.432 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.913 6.403 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -16.211 8.413 2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -16.620 6.803 3.311 1.00 0.00 H new ATOM 67 N HIS A 9 -19.031 9.231 2.447 1.00 0.00 N ATOM 68 CA HIS A 9 -20.179 9.791 3.212 1.00 0.00 C ATOM 69 C HIS A 9 -21.448 9.021 2.828 1.00 0.00 C ATOM 70 O HIS A 9 -22.230 8.632 3.671 1.00 0.00 O ATOM 71 CB HIS A 9 -20.334 11.280 2.871 1.00 0.00 C ATOM 72 CG HIS A 9 -21.727 11.744 3.203 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.838 11.281 2.518 1.00 0.00 N ATOM 74 CD2 HIS A 9 -22.206 12.625 4.141 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.920 11.876 3.049 1.00 0.00 C ATOM 76 NE2 HIS A 9 -23.591 12.706 4.043 1.00 0.00 N ATOM 0 H HIS A 9 -18.404 9.921 2.033 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.008 9.692 4.284 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.604 11.867 3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.131 11.442 1.812 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.599 13.172 4.848 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.932 11.704 2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.220 13.276 4.608 1.00 0.00 H new ATOM 77 N GLU A 10 -21.651 8.797 1.558 1.00 0.00 N ATOM 78 CA GLU A 10 -22.862 8.050 1.115 1.00 0.00 C ATOM 79 C GLU A 10 -22.728 6.577 1.515 1.00 0.00 C ATOM 80 O GLU A 10 -23.663 5.973 2.003 1.00 0.00 O ATOM 81 CB GLU A 10 -23.001 8.153 -0.404 1.00 0.00 C ATOM 82 CG GLU A 10 -24.315 7.502 -0.839 1.00 0.00 C ATOM 83 CD GLU A 10 -24.382 7.457 -2.366 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.429 7.892 -2.993 1.00 0.00 O ATOM 85 OE2 GLU A 10 -25.382 6.989 -2.884 1.00 0.00 O ATOM 0 H GLU A 10 -21.030 9.099 0.808 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.745 8.478 1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.981 9.198 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -22.160 7.661 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.386 6.493 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -25.160 8.065 -0.444 1.00 0.00 H new ATOM 86 N PHE A 11 -21.576 5.992 1.313 1.00 0.00 N ATOM 87 CA PHE A 11 -21.404 4.560 1.689 1.00 0.00 C ATOM 88 C PHE A 11 -21.375 4.434 3.215 1.00 0.00 C ATOM 89 O PHE A 11 -21.312 3.347 3.756 1.00 0.00 O ATOM 90 CB PHE A 11 -20.089 4.021 1.104 1.00 0.00 C ATOM 91 CG PHE A 11 -20.372 2.834 0.206 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.442 1.975 0.492 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.566 2.594 -0.916 1.00 0.00 C ATOM 94 CE1 PHE A 11 -21.704 0.881 -0.341 1.00 0.00 C ATOM 95 CE2 PHE A 11 -19.832 1.501 -1.749 1.00 0.00 C ATOM 96 CZ PHE A 11 -20.901 0.645 -1.462 1.00 0.00 C ATOM 0 H PHE A 11 -20.754 6.440 0.908 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.237 3.981 1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.585 4.804 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.416 3.726 1.909 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.065 2.157 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.739 3.253 -1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -22.527 0.218 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.212 1.318 -2.614 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.106 -0.198 -2.106 1.00 0.00 H new ATOM 97 N GLN A 12 -21.423 5.537 3.917 1.00 0.00 N ATOM 98 CA GLN A 12 -21.403 5.475 5.406 1.00 0.00 C ATOM 99 C GLN A 12 -22.784 5.062 5.917 1.00 0.00 C ATOM 100 O GLN A 12 -22.907 4.385 6.918 1.00 0.00 O ATOM 101 CB GLN A 12 -21.040 6.852 5.968 1.00 0.00 C ATOM 102 CG GLN A 12 -19.521 7.030 5.937 1.00 0.00 C ATOM 103 CD GLN A 12 -19.155 8.403 6.503 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.018 9.222 6.749 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.900 8.692 6.722 1.00 0.00 N ATOM 0 H GLN A 12 -21.475 6.476 3.522 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.663 4.744 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.521 7.635 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.408 6.948 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.040 6.245 6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.154 6.937 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.175 8.005 6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.645 9.605 7.099 1.00 0.00 H new ATOM 106 N ALA A 13 -23.825 5.462 5.237 1.00 0.00 N ATOM 107 CA ALA A 13 -25.194 5.086 5.686 1.00 0.00 C ATOM 108 C ALA A 13 -25.386 3.580 5.508 1.00 0.00 C ATOM 109 O ALA A 13 -26.175 2.958 6.190 1.00 0.00 O ATOM 110 CB ALA A 13 -26.234 5.836 4.850 1.00 0.00 C ATOM 0 H ALA A 13 -23.785 6.032 4.392 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.319 5.350 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -27.235 5.559 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -26.095 6.910 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -26.114 5.574 3.799 1.00 0.00 H new ATOM 111 N PHE A 14 -24.663 2.988 4.595 1.00 0.00 N ATOM 112 CA PHE A 14 -24.795 1.521 4.375 1.00 0.00 C ATOM 113 C PHE A 14 -23.908 0.776 5.375 1.00 0.00 C ATOM 114 O PHE A 14 -23.893 -0.438 5.421 1.00 0.00 O ATOM 115 CB PHE A 14 -24.353 1.179 2.951 1.00 0.00 C ATOM 116 CG PHE A 14 -25.315 1.793 1.962 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.515 1.140 1.656 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.007 3.015 1.350 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.407 1.708 0.738 1.00 0.00 C ATOM 120 CE2 PHE A 14 -25.899 3.583 0.433 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.099 2.930 0.127 1.00 0.00 C ATOM 0 H PHE A 14 -23.987 3.458 3.993 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.834 1.223 4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.345 1.552 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.321 0.097 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -26.753 0.198 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.081 3.519 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.332 1.204 0.501 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.662 4.525 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 14 -27.787 3.369 -0.580 1.00 0.00 H new ATOM 122 N MET A 15 -23.165 1.494 6.174 1.00 0.00 N ATOM 123 CA MET A 15 -22.276 0.829 7.169 1.00 0.00 C ATOM 124 C MET A 15 -23.101 0.405 8.387 1.00 0.00 C ATOM 125 O MET A 15 -23.889 1.167 8.911 1.00 0.00 O ATOM 126 CB MET A 15 -21.185 1.808 7.606 1.00 0.00 C ATOM 127 CG MET A 15 -19.969 1.027 8.111 1.00 0.00 C ATOM 128 SD MET A 15 -20.352 0.289 9.718 1.00 0.00 S ATOM 129 CE MET A 15 -20.736 1.828 10.590 1.00 0.00 C ATOM 0 H MET A 15 -23.136 2.514 6.180 1.00 0.00 H new ATOM 0 HA MET A 15 -21.817 -0.051 6.719 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.899 2.446 6.770 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.562 2.462 8.392 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.700 0.249 7.396 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.108 1.690 8.199 1.00 0.00 H new ATOM 0 HE1 MET A 15 -20.357 1.772 11.611 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.266 2.665 10.074 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.816 1.974 10.611 1.00 0.00 H new ATOM 130 N LYS A 16 -22.928 -0.806 8.840 1.00 0.00 N ATOM 131 CA LYS A 16 -23.701 -1.282 10.022 1.00 0.00 C ATOM 132 C LYS A 16 -22.801 -2.147 10.906 1.00 0.00 C ATOM 133 O LYS A 16 -21.949 -2.867 10.424 1.00 0.00 O ATOM 134 CB LYS A 16 -24.896 -2.110 9.545 1.00 0.00 C ATOM 135 CG LYS A 16 -25.857 -2.344 10.712 1.00 0.00 C ATOM 136 CD LYS A 16 -27.054 -3.166 10.229 1.00 0.00 C ATOM 137 CE LYS A 16 -28.023 -3.391 11.392 1.00 0.00 C ATOM 138 NZ LYS A 16 -28.653 -2.094 11.771 1.00 0.00 N ATOM 0 H LYS A 16 -22.283 -1.488 8.442 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.056 -0.425 10.595 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.410 -1.592 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.554 -3.065 9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.345 -2.867 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -26.196 -1.390 11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.560 -2.647 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -26.715 -4.124 9.834 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -28.790 -4.111 11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.492 -3.813 12.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.511 -2.275 12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.983 -1.535 12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -28.905 -1.566 10.911 1.00 0.00 H new ATOM 139 N ASN A 17 -22.981 -2.084 12.197 1.00 0.00 N ATOM 140 CA ASN A 17 -22.134 -2.904 13.108 1.00 0.00 C ATOM 141 C ASN A 17 -20.661 -2.697 12.758 1.00 0.00 C ATOM 142 O ASN A 17 -19.843 -3.581 12.918 1.00 0.00 O ATOM 143 CB ASN A 17 -22.493 -4.384 12.944 1.00 0.00 C ATOM 144 CG ASN A 17 -22.202 -5.128 14.248 1.00 0.00 C ATOM 145 OD1 ASN A 17 -21.548 -4.605 15.128 1.00 0.00 O ATOM 146 ND2 ASN A 17 -22.664 -6.338 14.410 1.00 0.00 N ATOM 0 H ASN A 17 -23.678 -1.500 12.660 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.309 -2.599 14.140 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -23.546 -4.487 12.682 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.917 -4.820 12.128 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.476 -6.844 15.275 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.213 -6.777 13.671 1.00 0.00 H new ATOM 147 N GLY A 18 -20.315 -1.537 12.273 1.00 0.00 N ATOM 148 CA GLY A 18 -18.895 -1.278 11.906 1.00 0.00 C ATOM 149 C GLY A 18 -18.576 -2.015 10.607 1.00 0.00 C ATOM 150 O GLY A 18 -17.431 -2.193 10.243 1.00 0.00 O ATOM 0 H GLY A 18 -20.954 -0.758 12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.727 -0.208 11.783 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.232 -1.615 12.703 1.00 0.00 H new ATOM 151 N LYS A 19 -19.586 -2.447 9.905 1.00 0.00 N ATOM 152 CA LYS A 19 -19.354 -3.175 8.628 1.00 0.00 C ATOM 153 C LYS A 19 -19.962 -2.377 7.475 1.00 0.00 C ATOM 154 O LYS A 19 -21.031 -1.812 7.596 1.00 0.00 O ATOM 155 CB LYS A 19 -20.022 -4.547 8.699 1.00 0.00 C ATOM 156 CG LYS A 19 -19.511 -5.424 7.554 1.00 0.00 C ATOM 157 CD LYS A 19 -20.698 -6.072 6.837 1.00 0.00 C ATOM 158 CE LYS A 19 -20.224 -7.330 6.106 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.336 -8.505 7.015 1.00 0.00 N ATOM 0 H LYS A 19 -20.566 -2.326 10.162 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.283 -3.297 8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.806 -5.019 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.105 -4.440 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.933 -4.823 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.843 -6.193 7.941 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.476 -6.327 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.137 -5.370 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.824 -7.491 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.191 -7.206 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.014 -9.360 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.745 -8.350 7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.327 -8.626 7.305 1.00 0.00 H new ATOM 160 N LEU A 20 -19.298 -2.327 6.355 1.00 0.00 N ATOM 161 CA LEU A 20 -19.851 -1.567 5.202 1.00 0.00 C ATOM 162 C LEU A 20 -20.644 -2.515 4.304 1.00 0.00 C ATOM 163 O LEU A 20 -20.219 -3.616 4.018 1.00 0.00 O ATOM 164 CB LEU A 20 -18.708 -0.944 4.399 1.00 0.00 C ATOM 165 CG LEU A 20 -19.253 -0.411 3.073 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.175 0.781 3.342 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.092 0.034 2.184 1.00 0.00 C ATOM 0 H LEU A 20 -18.399 -2.778 6.189 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.506 -0.777 5.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.248 -0.136 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.931 -1.686 4.214 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.814 -1.199 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.563 1.161 2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -21.004 0.464 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.614 1.568 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.482 0.414 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.530 0.821 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.436 -0.815 1.991 1.00 0.00 H new ATOM 168 N PHE A 21 -21.794 -2.097 3.854 1.00 0.00 N ATOM 169 CA PHE A 21 -22.609 -2.977 2.974 1.00 0.00 C ATOM 170 C PHE A 21 -22.332 -2.624 1.512 1.00 0.00 C ATOM 171 O PHE A 21 -22.477 -1.491 1.100 1.00 0.00 O ATOM 172 CB PHE A 21 -24.095 -2.775 3.277 1.00 0.00 C ATOM 173 CG PHE A 21 -24.418 -3.350 4.637 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.875 -4.581 5.025 1.00 0.00 C ATOM 175 CD2 PHE A 21 -25.262 -2.652 5.509 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.177 -5.113 6.284 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.564 -3.184 6.767 1.00 0.00 C ATOM 178 CZ PHE A 21 -25.021 -4.415 7.156 1.00 0.00 C ATOM 0 H PHE A 21 -22.204 -1.185 4.058 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.345 -4.019 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.340 -1.713 3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.702 -3.260 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.223 -5.120 4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.680 -1.702 5.210 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.759 -6.063 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -26.216 -2.645 7.439 1.00 0.00 H new ATOM 0 HZ PHE A 21 -25.253 -4.825 8.128 1.00 0.00 H new ATOM 179 N CYS A 22 -21.926 -3.584 0.728 1.00 0.00 N ATOM 180 CA CYS A 22 -21.633 -3.306 -0.708 1.00 0.00 C ATOM 181 C CYS A 22 -22.774 -3.830 -1.588 1.00 0.00 C ATOM 182 O CYS A 22 -22.616 -4.799 -2.305 1.00 0.00 O ATOM 183 CB CYS A 22 -20.333 -4.008 -1.104 1.00 0.00 C ATOM 184 SG CYS A 22 -18.976 -3.391 -0.078 1.00 0.00 S ATOM 0 H CYS A 22 -21.784 -4.551 1.019 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.534 -2.230 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.437 -5.086 -0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.117 -3.829 -2.157 1.00 0.00 H new ATOM 185 N PRO A 23 -23.944 -3.172 -1.538 1.00 0.00 N ATOM 186 CA PRO A 23 -25.107 -3.571 -2.341 1.00 0.00 C ATOM 187 C PRO A 23 -24.890 -3.274 -3.827 1.00 0.00 C ATOM 188 O PRO A 23 -24.009 -2.525 -4.197 1.00 0.00 O ATOM 189 CB PRO A 23 -26.236 -2.698 -1.796 1.00 0.00 C ATOM 190 CG PRO A 23 -25.546 -1.505 -1.225 1.00 0.00 C ATOM 191 CD PRO A 23 -24.227 -1.995 -0.699 1.00 0.00 C ATOM 0 HA PRO A 23 -25.308 -4.640 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.933 -2.413 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.813 -3.224 -1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.401 -0.738 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.140 -1.056 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.449 -1.237 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.288 -2.259 0.357 1.00 0.00 H new ATOM 192 N GLN A 24 -25.686 -3.853 -4.684 1.00 0.00 N ATOM 193 CA GLN A 24 -25.519 -3.598 -6.143 1.00 0.00 C ATOM 194 C GLN A 24 -26.557 -2.574 -6.607 1.00 0.00 C ATOM 195 O GLN A 24 -27.745 -2.830 -6.593 1.00 0.00 O ATOM 196 CB GLN A 24 -25.708 -4.902 -6.917 1.00 0.00 C ATOM 197 CG GLN A 24 -25.348 -4.677 -8.388 1.00 0.00 C ATOM 198 CD GLN A 24 -25.466 -5.998 -9.149 1.00 0.00 C ATOM 199 OE1 GLN A 24 -25.642 -7.042 -8.554 1.00 0.00 O ATOM 200 NE2 GLN A 24 -25.373 -5.998 -10.451 1.00 0.00 N ATOM 0 H GLN A 24 -26.443 -4.490 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.518 -3.209 -6.328 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -25.078 -5.684 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.740 -5.242 -6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.012 -3.932 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -24.333 -4.287 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -25.225 -5.122 -10.952 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -25.448 -6.874 -10.968 1.00 0.00 H new ATOM 201 N ASP A 25 -26.118 -1.416 -7.020 1.00 0.00 N ATOM 202 CA ASP A 25 -27.078 -0.378 -7.488 1.00 0.00 C ATOM 203 C ASP A 25 -27.090 -0.346 -9.017 1.00 0.00 C ATOM 204 O ASP A 25 -26.235 -0.917 -9.666 1.00 0.00 O ATOM 205 CB ASP A 25 -26.655 0.991 -6.951 1.00 0.00 C ATOM 206 CG ASP A 25 -25.274 1.354 -7.504 1.00 0.00 C ATOM 207 OD1 ASP A 25 -24.799 0.641 -8.372 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.716 2.340 -7.050 1.00 0.00 O ATOM 0 H ASP A 25 -25.135 -1.145 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 25 -28.077 -0.617 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -27.384 1.748 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.629 0.973 -5.861 1.00 0.00 H new ATOM 209 N LYS A 26 -28.052 0.314 -9.600 1.00 0.00 N ATOM 210 CA LYS A 26 -28.118 0.379 -11.088 1.00 0.00 C ATOM 211 C LYS A 26 -27.352 1.607 -11.584 1.00 0.00 C ATOM 212 O LYS A 26 -27.322 1.896 -12.764 1.00 0.00 O ATOM 213 CB LYS A 26 -29.578 0.475 -11.533 1.00 0.00 C ATOM 214 CG LYS A 26 -30.327 -0.788 -11.106 1.00 0.00 C ATOM 215 CD LYS A 26 -31.764 -0.732 -11.630 1.00 0.00 C ATOM 216 CE LYS A 26 -32.539 -1.948 -11.121 1.00 0.00 C ATOM 217 NZ LYS A 26 -32.088 -3.167 -11.850 1.00 0.00 N ATOM 0 H LYS A 26 -28.796 0.812 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.669 -0.521 -11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.046 1.355 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.632 0.594 -12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -29.821 -1.672 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.328 -0.873 -10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -32.248 0.186 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -31.765 -0.717 -12.720 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.379 -2.072 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -33.609 -1.798 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -32.725 -3.959 -11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -32.103 -2.985 -12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -31.120 -3.409 -11.556 1.00 0.00 H new ATOM 218 N LYS A 27 -26.733 2.336 -10.696 1.00 0.00 N ATOM 219 CA LYS A 27 -25.971 3.544 -11.124 1.00 0.00 C ATOM 220 C LYS A 27 -24.485 3.349 -10.812 1.00 0.00 C ATOM 221 O LYS A 27 -23.980 3.842 -9.824 1.00 0.00 O ATOM 222 CB LYS A 27 -26.495 4.770 -10.373 1.00 0.00 C ATOM 223 CG LYS A 27 -25.859 6.034 -10.954 1.00 0.00 C ATOM 224 CD LYS A 27 -26.737 6.572 -12.086 1.00 0.00 C ATOM 225 CE LYS A 27 -25.853 7.216 -13.156 1.00 0.00 C ATOM 226 NZ LYS A 27 -26.436 6.958 -14.503 1.00 0.00 N ATOM 0 H LYS A 27 -26.722 2.148 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.099 3.693 -12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -27.580 4.825 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -26.261 4.687 -9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -25.748 6.789 -10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -24.860 5.812 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.323 5.763 -12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -27.445 7.303 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.775 8.289 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.843 6.810 -13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.836 7.396 -15.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.488 5.933 -14.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -27.392 7.366 -14.552 1.00 0.00 H new ATOM 227 N PRO A 28 -23.777 2.610 -11.679 1.00 0.00 N ATOM 228 CA PRO A 28 -22.343 2.340 -11.506 1.00 0.00 C ATOM 229 C PRO A 28 -21.490 3.593 -11.728 1.00 0.00 C ATOM 230 O PRO A 28 -21.636 4.291 -12.712 1.00 0.00 O ATOM 231 CB PRO A 28 -22.041 1.306 -12.591 1.00 0.00 C ATOM 232 CG PRO A 28 -23.085 1.535 -13.630 1.00 0.00 C ATOM 233 CD PRO A 28 -24.318 1.980 -12.896 1.00 0.00 C ATOM 0 HA PRO A 28 -22.113 2.002 -10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.039 1.441 -12.999 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.090 0.291 -12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.763 2.292 -14.345 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.277 0.624 -14.196 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.906 2.683 -13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -24.970 1.140 -12.658 1.00 0.00 H new ATOM 234 N ILE A 29 -20.600 3.881 -10.818 1.00 0.00 N ATOM 235 CA ILE A 29 -19.734 5.084 -10.970 1.00 0.00 C ATOM 236 C ILE A 29 -18.327 4.653 -11.388 1.00 0.00 C ATOM 237 O ILE A 29 -17.914 3.535 -11.151 1.00 0.00 O ATOM 238 CB ILE A 29 -19.652 5.824 -9.631 1.00 0.00 C ATOM 239 CG1 ILE A 29 -18.999 7.192 -9.849 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.815 4.993 -8.648 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.551 7.774 -8.510 1.00 0.00 C ATOM 0 H ILE A 29 -20.435 3.333 -9.974 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.158 5.740 -11.730 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.652 5.967 -9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.143 7.094 -10.517 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.704 7.869 -10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.752 5.514 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.285 4.021 -8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.812 4.854 -9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -18.087 8.747 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.415 7.889 -7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.830 7.102 -8.044 1.00 0.00 H new ATOM 242 N GLN A 30 -17.578 5.535 -11.993 1.00 0.00 N ATOM 243 CA GLN A 30 -16.192 5.176 -12.405 1.00 0.00 C ATOM 244 C GLN A 30 -15.219 5.681 -11.339 1.00 0.00 C ATOM 245 O GLN A 30 -15.049 6.871 -11.154 1.00 0.00 O ATOM 246 CB GLN A 30 -15.865 5.826 -13.751 1.00 0.00 C ATOM 247 CG GLN A 30 -16.669 5.144 -14.859 1.00 0.00 C ATOM 248 CD GLN A 30 -16.290 5.749 -16.214 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.693 6.805 -16.275 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.614 5.119 -17.310 1.00 0.00 N ATOM 0 H GLN A 30 -17.866 6.487 -12.219 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.105 4.094 -12.507 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.100 6.890 -13.719 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.798 5.742 -13.957 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.471 4.072 -14.859 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.736 5.270 -14.678 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.115 4.232 -17.259 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.366 5.513 -18.217 1.00 0.00 H new ATOM 251 N SER A 31 -14.593 4.789 -10.624 1.00 0.00 N ATOM 252 CA SER A 31 -13.646 5.221 -9.558 1.00 0.00 C ATOM 253 C SER A 31 -12.273 5.520 -10.158 1.00 0.00 C ATOM 254 O SER A 31 -12.113 5.619 -11.358 1.00 0.00 O ATOM 255 CB SER A 31 -13.519 4.108 -8.516 1.00 0.00 C ATOM 256 OG SER A 31 -13.586 4.673 -7.215 1.00 0.00 O ATOM 0 H SER A 31 -14.696 3.780 -10.731 1.00 0.00 H new ATOM 0 HA SER A 31 -14.027 6.127 -9.087 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.317 3.377 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.576 3.578 -8.647 1.00 0.00 H new ATOM 0 HG SER A 31 -13.225 5.584 -7.235 1.00 0.00 H new ATOM 257 N LEU A 32 -11.280 5.675 -9.323 1.00 0.00 N ATOM 258 CA LEU A 32 -9.913 5.981 -9.830 1.00 0.00 C ATOM 259 C LEU A 32 -8.899 5.018 -9.206 1.00 0.00 C ATOM 260 O LEU A 32 -7.715 5.095 -9.467 1.00 0.00 O ATOM 261 CB LEU A 32 -9.546 7.416 -9.446 1.00 0.00 C ATOM 262 CG LEU A 32 -9.834 7.632 -7.957 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.599 8.225 -7.276 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.012 8.597 -7.798 1.00 0.00 C ATOM 0 H LEU A 32 -11.358 5.602 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.896 5.869 -10.914 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.493 7.602 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.120 8.123 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.080 6.676 -7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.806 8.378 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.758 7.540 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.352 9.180 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.216 8.750 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.765 9.552 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.894 8.177 -8.281 1.00 0.00 H new ATOM 265 N ASP A 33 -9.350 4.115 -8.377 1.00 0.00 N ATOM 266 CA ASP A 33 -8.404 3.157 -7.734 1.00 0.00 C ATOM 267 C ASP A 33 -8.177 1.954 -8.653 1.00 0.00 C ATOM 268 O ASP A 33 -7.544 0.987 -8.278 1.00 0.00 O ATOM 269 CB ASP A 33 -8.988 2.680 -6.405 1.00 0.00 C ATOM 270 CG ASP A 33 -8.942 3.823 -5.388 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.104 4.694 -5.546 1.00 0.00 O ATOM 272 OD2 ASP A 33 -9.744 3.804 -4.470 1.00 0.00 O ATOM 0 H ASP A 33 -10.330 3.999 -8.118 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.452 3.657 -7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.016 2.346 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.423 1.825 -6.033 1.00 0.00 H new ATOM 273 N GLY A 34 -8.686 2.003 -9.853 1.00 0.00 N ATOM 274 CA GLY A 34 -8.494 0.859 -10.789 1.00 0.00 C ATOM 275 C GLY A 34 -9.726 -0.048 -10.753 1.00 0.00 C ATOM 276 O GLY A 34 -9.771 -1.073 -11.404 1.00 0.00 O ATOM 0 H GLY A 34 -9.226 2.784 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.332 1.228 -11.802 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.605 0.293 -10.510 1.00 0.00 H new ATOM 277 N ILE A 35 -10.726 0.317 -9.998 1.00 0.00 N ATOM 278 CA ILE A 35 -11.952 -0.527 -9.925 1.00 0.00 C ATOM 279 C ILE A 35 -13.153 0.276 -10.435 1.00 0.00 C ATOM 280 O ILE A 35 -13.085 1.479 -10.591 1.00 0.00 O ATOM 281 CB ILE A 35 -12.191 -0.951 -8.473 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.936 -1.637 -7.928 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.371 -1.923 -8.410 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.835 -1.398 -6.420 1.00 0.00 C ATOM 0 H ILE A 35 -10.747 1.163 -9.429 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.824 -1.415 -10.543 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.415 -0.070 -7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.975 -2.706 -8.135 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.050 -1.247 -8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.540 -2.224 -7.376 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.266 -1.435 -8.797 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.149 -2.804 -9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.941 -1.887 -6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.776 -0.327 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.716 -1.809 -5.927 1.00 0.00 H new ATOM 285 N MET A 36 -14.250 -0.379 -10.705 1.00 0.00 N ATOM 286 CA MET A 36 -15.449 0.349 -11.215 1.00 0.00 C ATOM 287 C MET A 36 -16.544 0.367 -10.144 1.00 0.00 C ATOM 288 O MET A 36 -17.181 -0.632 -9.882 1.00 0.00 O ATOM 289 CB MET A 36 -15.976 -0.359 -12.464 1.00 0.00 C ATOM 290 CG MET A 36 -14.954 -0.222 -13.593 1.00 0.00 C ATOM 291 SD MET A 36 -15.664 -0.864 -15.129 1.00 0.00 S ATOM 292 CE MET A 36 -16.794 0.513 -15.446 1.00 0.00 C ATOM 0 H MET A 36 -14.368 -1.386 -10.595 1.00 0.00 H new ATOM 0 HA MET A 36 -15.169 1.374 -11.460 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.158 -1.412 -12.249 1.00 0.00 H new ATOM 0 HB3 MET A 36 -16.929 0.074 -12.767 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.673 0.824 -13.719 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.045 -0.769 -13.343 1.00 0.00 H new ATOM 0 HE1 MET A 36 -16.896 0.660 -16.521 1.00 0.00 H new ATOM 0 HE2 MET A 36 -17.770 0.289 -15.017 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.398 1.421 -14.991 1.00 0.00 H new ATOM 293 N PHE A 37 -16.770 1.501 -9.534 1.00 0.00 N ATOM 294 CA PHE A 37 -17.828 1.603 -8.484 1.00 0.00 C ATOM 295 C PHE A 37 -17.452 0.756 -7.272 1.00 0.00 C ATOM 296 O PHE A 37 -17.337 1.258 -6.172 1.00 0.00 O ATOM 297 CB PHE A 37 -19.166 1.129 -9.048 1.00 0.00 C ATOM 298 CG PHE A 37 -20.210 1.170 -7.957 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.843 2.377 -7.637 1.00 0.00 C ATOM 300 CD2 PHE A 37 -20.545 0.000 -7.265 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.810 2.414 -6.624 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.511 0.036 -6.254 1.00 0.00 C ATOM 303 CZ PHE A 37 -22.143 1.243 -5.933 1.00 0.00 C ATOM 0 H PHE A 37 -16.264 2.367 -9.719 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.916 2.644 -8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.468 1.764 -9.881 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.071 0.116 -9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -20.586 3.280 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -20.057 -0.931 -7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -22.298 3.345 -6.376 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -21.769 -0.867 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.888 1.271 -5.152 1.00 0.00 H new ATOM 304 N ILE A 38 -17.253 -0.519 -7.459 1.00 0.00 N ATOM 305 CA ILE A 38 -16.873 -1.388 -6.310 1.00 0.00 C ATOM 306 C ILE A 38 -15.825 -0.659 -5.472 1.00 0.00 C ATOM 307 O ILE A 38 -15.702 -0.873 -4.282 1.00 0.00 O ATOM 308 CB ILE A 38 -16.291 -2.704 -6.828 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.320 -3.404 -7.718 1.00 0.00 C ATOM 310 CG2 ILE A 38 -15.937 -3.609 -5.646 1.00 0.00 C ATOM 311 CD1 ILE A 38 -18.669 -3.452 -6.997 1.00 0.00 C ATOM 0 H ILE A 38 -17.337 -0.997 -8.356 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.752 -1.605 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.391 -2.498 -7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -17.420 -2.872 -8.664 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -16.985 -4.414 -7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.522 -4.546 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -15.201 -3.111 -5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.835 -3.815 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -19.403 -3.951 -7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.563 -4.003 -6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -19.004 -2.437 -6.784 1.00 0.00 H new ATOM 312 N ASN A 39 -15.072 0.211 -6.091 1.00 0.00 N ATOM 313 CA ASN A 39 -14.036 0.968 -5.340 1.00 0.00 C ATOM 314 C ASN A 39 -14.688 1.710 -4.176 1.00 0.00 C ATOM 315 O ASN A 39 -14.264 1.596 -3.052 1.00 0.00 O ATOM 316 CB ASN A 39 -13.369 1.987 -6.265 1.00 0.00 C ATOM 317 CG ASN A 39 -12.153 2.588 -5.558 1.00 0.00 C ATOM 318 OD1 ASN A 39 -11.339 1.874 -5.008 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.997 3.885 -5.543 1.00 0.00 N ATOM 0 H ASN A 39 -15.132 0.428 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 39 -13.289 0.270 -4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.064 1.507 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.076 2.773 -6.530 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.192 4.296 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.680 4.486 -6.004 1.00 0.00 H new ATOM 320 N LYS A 40 -15.711 2.479 -4.433 1.00 0.00 N ATOM 321 CA LYS A 40 -16.367 3.231 -3.325 1.00 0.00 C ATOM 322 C LYS A 40 -16.517 2.321 -2.109 1.00 0.00 C ATOM 323 O LYS A 40 -16.212 2.696 -0.995 1.00 0.00 O ATOM 324 CB LYS A 40 -17.750 3.718 -3.768 1.00 0.00 C ATOM 325 CG LYS A 40 -17.599 4.847 -4.789 1.00 0.00 C ATOM 326 CD LYS A 40 -18.872 5.696 -4.792 1.00 0.00 C ATOM 327 CE LYS A 40 -18.787 6.743 -5.903 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.488 7.985 -5.473 1.00 0.00 N ATOM 0 H LYS A 40 -16.119 2.619 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.750 4.091 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.313 2.893 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.316 4.069 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.736 5.465 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.421 4.434 -5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.745 5.061 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.997 6.185 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.744 6.962 -6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.238 6.356 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.041 8.809 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.487 7.935 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.425 8.079 -4.439 1.00 0.00 H new ATOM 329 N CYS A 41 -16.976 1.125 -2.319 1.00 0.00 N ATOM 330 CA CYS A 41 -17.141 0.176 -1.186 1.00 0.00 C ATOM 331 C CYS A 41 -15.785 -0.449 -0.860 1.00 0.00 C ATOM 332 O CYS A 41 -15.501 -0.800 0.268 1.00 0.00 O ATOM 333 CB CYS A 41 -18.119 -0.923 -1.597 1.00 0.00 C ATOM 334 SG CYS A 41 -19.153 -1.385 -0.186 1.00 0.00 S ATOM 0 H CYS A 41 -17.246 0.759 -3.232 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.524 0.701 -0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.745 -0.576 -2.420 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.571 -1.793 -1.958 1.00 0.00 H new ATOM 335 N ALA A 42 -14.953 -0.601 -1.851 1.00 0.00 N ATOM 336 CA ALA A 42 -13.613 -1.217 -1.625 1.00 0.00 C ATOM 337 C ALA A 42 -12.635 -0.191 -1.040 1.00 0.00 C ATOM 338 O ALA A 42 -11.624 -0.551 -0.470 1.00 0.00 O ATOM 339 CB ALA A 42 -13.065 -1.731 -2.958 1.00 0.00 C ATOM 0 H ALA A 42 -15.143 -0.324 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.721 -2.040 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.086 -2.182 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.746 -2.477 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.972 -0.900 -3.658 1.00 0.00 H new ATOM 340 N THR A 43 -12.908 1.081 -1.176 1.00 0.00 N ATOM 341 CA THR A 43 -11.965 2.095 -0.625 1.00 0.00 C ATOM 342 C THR A 43 -12.573 2.736 0.620 1.00 0.00 C ATOM 343 O THR A 43 -11.871 3.172 1.509 1.00 0.00 O ATOM 344 CB THR A 43 -11.695 3.175 -1.676 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.278 2.788 -2.913 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.186 3.347 -1.854 1.00 0.00 C ATOM 0 H THR A 43 -13.735 1.457 -1.640 1.00 0.00 H new ATOM 0 HA THR A 43 -11.027 1.607 -0.361 1.00 0.00 H new ATOM 0 HB THR A 43 -12.131 4.119 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.738 2.080 -3.322 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.993 4.116 -2.602 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.739 3.644 -0.905 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.748 2.404 -2.182 1.00 0.00 H new ATOM 347 N CYS A 44 -13.872 2.795 0.692 1.00 0.00 N ATOM 348 CA CYS A 44 -14.516 3.410 1.883 1.00 0.00 C ATOM 349 C CYS A 44 -14.538 2.396 3.028 1.00 0.00 C ATOM 350 O CYS A 44 -14.565 2.757 4.188 1.00 0.00 O ATOM 351 CB CYS A 44 -15.942 3.827 1.529 1.00 0.00 C ATOM 352 SG CYS A 44 -15.883 5.227 0.384 1.00 0.00 S ATOM 0 H CYS A 44 -14.514 2.445 -0.020 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.952 4.290 2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.476 2.992 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.488 4.102 2.431 1.00 0.00 H new ATOM 353 N LYS A 45 -14.518 1.129 2.716 1.00 0.00 N ATOM 354 CA LYS A 45 -14.529 0.100 3.793 1.00 0.00 C ATOM 355 C LYS A 45 -13.392 0.391 4.773 1.00 0.00 C ATOM 356 O LYS A 45 -13.574 0.369 5.974 1.00 0.00 O ATOM 357 CB LYS A 45 -14.336 -1.287 3.177 1.00 0.00 C ATOM 358 CG LYS A 45 -14.576 -2.358 4.242 1.00 0.00 C ATOM 359 CD LYS A 45 -14.425 -3.744 3.611 1.00 0.00 C ATOM 360 CE LYS A 45 -14.791 -4.817 4.638 1.00 0.00 C ATOM 361 NZ LYS A 45 -13.559 -5.268 5.344 1.00 0.00 N ATOM 0 H LYS A 45 -14.495 0.763 1.764 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.483 0.128 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.026 -1.426 2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.328 -1.380 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.865 -2.239 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.573 -2.247 4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.069 -3.829 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.401 -3.889 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.509 -4.420 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.269 -5.662 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.807 -5.998 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.888 -5.663 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.121 -4.459 5.829 1.00 0.00 H new ATOM 362 N MET A 46 -12.222 0.679 4.270 1.00 0.00 N ATOM 363 CA MET A 46 -11.079 0.986 5.173 1.00 0.00 C ATOM 364 C MET A 46 -11.228 2.418 5.687 1.00 0.00 C ATOM 365 O MET A 46 -10.689 2.782 6.714 1.00 0.00 O ATOM 366 CB MET A 46 -9.764 0.852 4.401 1.00 0.00 C ATOM 367 CG MET A 46 -9.627 -0.576 3.869 1.00 0.00 C ATOM 368 SD MET A 46 -8.033 -0.756 3.029 1.00 0.00 S ATOM 369 CE MET A 46 -8.292 0.524 1.777 1.00 0.00 C ATOM 0 H MET A 46 -12.010 0.715 3.273 1.00 0.00 H new ATOM 0 HA MET A 46 -11.072 0.290 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.741 1.563 3.575 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.922 1.091 5.051 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.701 -1.290 4.689 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.441 -0.798 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.788 0.237 0.854 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.359 0.637 1.588 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.885 1.470 2.134 1.00 0.00 H new ATOM 370 N ILE A 47 -11.962 3.231 4.977 1.00 0.00 N ATOM 371 CA ILE A 47 -12.157 4.640 5.418 1.00 0.00 C ATOM 372 C ILE A 47 -13.228 4.682 6.511 1.00 0.00 C ATOM 373 O ILE A 47 -13.208 5.533 7.378 1.00 0.00 O ATOM 374 CB ILE A 47 -12.597 5.492 4.226 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.497 5.487 3.163 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.846 6.930 4.685 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.042 6.082 1.863 1.00 0.00 C ATOM 0 H ILE A 47 -12.435 2.979 4.109 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.221 5.035 5.813 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.515 5.079 3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.640 6.065 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.147 4.469 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.159 7.535 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.628 6.939 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.928 7.342 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.259 6.079 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.886 5.486 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.370 7.106 2.041 1.00 0.00 H new ATOM 378 N LEU A 48 -14.159 3.764 6.486 1.00 0.00 N ATOM 379 CA LEU A 48 -15.216 3.758 7.536 1.00 0.00 C ATOM 380 C LEU A 48 -14.627 3.191 8.827 1.00 0.00 C ATOM 381 O LEU A 48 -15.109 3.453 9.911 1.00 0.00 O ATOM 382 CB LEU A 48 -16.399 2.891 7.087 1.00 0.00 C ATOM 383 CG LEU A 48 -17.045 3.487 5.828 1.00 0.00 C ATOM 384 CD1 LEU A 48 -18.474 2.956 5.690 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.084 5.016 5.929 1.00 0.00 C ATOM 0 H LEU A 48 -14.232 3.024 5.788 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.569 4.776 7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.059 1.876 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.136 2.826 7.887 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.456 3.200 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.934 3.378 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.452 1.869 5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.055 3.242 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -17.544 5.428 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.667 5.308 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.069 5.400 6.026 1.00 0.00 H new ATOM 386 N GLU A 49 -13.579 2.420 8.717 1.00 0.00 N ATOM 387 CA GLU A 49 -12.949 1.840 9.936 1.00 0.00 C ATOM 388 C GLU A 49 -12.223 2.951 10.697 1.00 0.00 C ATOM 389 O GLU A 49 -12.213 2.982 11.911 1.00 0.00 O ATOM 390 CB GLU A 49 -11.944 0.760 9.529 1.00 0.00 C ATOM 391 CG GLU A 49 -12.688 -0.420 8.903 1.00 0.00 C ATOM 392 CD GLU A 49 -11.680 -1.479 8.451 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.494 -1.206 8.524 1.00 0.00 O ATOM 394 OE2 GLU A 49 -12.112 -2.544 8.042 1.00 0.00 O ATOM 0 H GLU A 49 -13.132 2.167 7.835 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.716 1.396 10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.224 1.167 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.380 0.427 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.383 -0.849 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.280 -0.080 8.053 1.00 0.00 H new ATOM 395 N LYS A 50 -11.622 3.868 9.988 1.00 0.00 N ATOM 396 CA LYS A 50 -10.903 4.982 10.667 1.00 0.00 C ATOM 397 C LYS A 50 -11.848 5.654 11.663 1.00 0.00 C ATOM 398 O LYS A 50 -11.446 6.074 12.731 1.00 0.00 O ATOM 399 CB LYS A 50 -10.450 6.005 9.623 1.00 0.00 C ATOM 400 CG LYS A 50 -9.638 7.108 10.305 1.00 0.00 C ATOM 401 CD LYS A 50 -9.118 8.085 9.249 1.00 0.00 C ATOM 402 CE LYS A 50 -10.298 8.828 8.618 1.00 0.00 C ATOM 403 NZ LYS A 50 -9.953 10.269 8.469 1.00 0.00 N ATOM 0 H LYS A 50 -11.598 3.893 8.969 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.032 4.592 11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.847 5.516 8.857 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.316 6.435 9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.258 7.635 11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.804 6.673 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.428 8.796 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.561 7.546 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.535 8.397 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.186 8.718 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.754 10.775 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.747 10.675 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.117 10.364 7.858 1.00 0.00 H new ATOM 404 N GLU A 51 -13.105 5.753 11.326 1.00 0.00 N ATOM 405 CA GLU A 51 -14.078 6.391 12.255 1.00 0.00 C ATOM 406 C GLU A 51 -14.142 5.581 13.551 1.00 0.00 C ATOM 407 O GLU A 51 -14.382 6.113 14.617 1.00 0.00 O ATOM 408 CB GLU A 51 -15.462 6.421 11.602 1.00 0.00 C ATOM 409 CG GLU A 51 -16.438 7.174 12.508 1.00 0.00 C ATOM 410 CD GLU A 51 -16.091 8.664 12.504 1.00 0.00 C ATOM 411 OE1 GLU A 51 -15.491 9.110 11.540 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.430 9.333 13.466 1.00 0.00 O ATOM 0 H GLU A 51 -13.500 5.419 10.447 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.760 7.410 12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.406 6.906 10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.818 5.405 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.461 7.027 12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.386 6.780 13.523 1.00 0.00 H new ATOM 413 N ALA A 52 -13.926 4.297 13.468 1.00 0.00 N ATOM 414 CA ALA A 52 -13.970 3.452 14.694 1.00 0.00 C ATOM 415 C ALA A 52 -12.851 3.880 15.644 1.00 0.00 C ATOM 416 O ALA A 52 -12.951 3.731 16.846 1.00 0.00 O ATOM 417 CB ALA A 52 -13.781 1.983 14.309 1.00 0.00 C ATOM 0 H ALA A 52 -13.721 3.796 12.603 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.934 3.575 15.188 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.813 1.365 15.206 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.578 1.679 13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.817 1.857 13.816 1.00 0.00 H new ATOM 418 N LYS A 53 -11.784 4.414 15.114 1.00 0.00 N ATOM 419 CA LYS A 53 -10.658 4.853 15.984 1.00 0.00 C ATOM 420 C LYS A 53 -10.139 3.661 16.791 1.00 0.00 C ATOM 421 O LYS A 53 -9.966 3.739 17.991 1.00 0.00 O ATOM 422 CB LYS A 53 -11.149 5.943 16.940 1.00 0.00 C ATOM 423 CG LYS A 53 -11.649 7.141 16.130 1.00 0.00 C ATOM 424 CD LYS A 53 -12.066 8.263 17.083 1.00 0.00 C ATOM 425 CE LYS A 53 -12.650 9.425 16.276 1.00 0.00 C ATOM 426 NZ LYS A 53 -14.125 9.481 16.483 1.00 0.00 N ATOM 0 H LYS A 53 -11.644 4.565 14.115 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.853 5.248 15.364 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.950 5.556 17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.341 6.251 17.604 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.865 7.492 15.459 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.493 6.846 15.507 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.803 7.894 17.796 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.206 8.603 17.661 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.192 10.364 16.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.425 9.296 15.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.523 10.270 15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.554 8.588 16.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.329 9.623 17.493 1.00 0.00 H new