USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ -155:sc= 2.33 (180deg=0.684) USER MOD Set 1.2: A 82 THR OG1 : rot -65:sc= 2.2 USER MOD Set 2.1: A 74 GLN : amide:sc= -0.22 K(o=1,f=-0.77!) USER MOD Set 2.2: A 78 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.163 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0825) USER MOD Single : A 15 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.048) USER MOD Single : A 17 ASN : amide:sc= -0.272 K(o=-0.27,f=-3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0386 X(o=-0.039,f=-0.41) USER MOD Single : A 29 THR OG1 : rot -130:sc= 0.144 USER MOD Single : A 30 SER OG : rot 180:sc=0.000594 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= 0.277 (180deg=0.176) USER MOD Single : A 44 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 49 SER OG : rot -170:sc= 1.32 USER MOD Single : A 54 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.54) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000728) USER MOD Single : A 63 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.419 USER MOD Single : A 72 HIS : no HD1:sc=-0.00313 X(o=-0.0031,f=-0.33) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.38) USER MOD Single : A 84 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.5!) USER MOD Single : A 87 HIS : no HD1:sc= 0.431 K(o=2.3,f=-10!) USER MOD Single : A 92 LYS NZ :NH3+ 156:sc= 1.02 (180deg=0.667) USER MOD Single : A 94 GLN : amide:sc= -0.404 X(o=-0.4,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.623 -1.517 -11.788 1.00 42.45 N ATOM 2 CA GLY A 1 -14.435 -1.583 -10.944 1.00 52.55 C ATOM 3 C GLY A 1 -13.584 -2.708 -11.412 1.00 51.23 C ATOM 4 O GLY A 1 -14.032 -3.590 -12.163 1.00 13.30 O ATOM 0 H1 GLY A 1 -15.619 -0.626 -12.324 1.00 42.45 H new ATOM 0 H2 GLY A 1 -15.624 -2.319 -12.450 1.00 42.45 H new ATOM 0 H3 GLY A 1 -16.475 -1.559 -11.193 1.00 42.45 H new ATOM 0 HA2 GLY A 1 -13.883 -0.645 -10.994 1.00 52.55 H new ATOM 0 HA3 GLY A 1 -14.719 -1.731 -9.902 1.00 52.55 H new ATOM 10 N PRO A 2 -12.326 -2.696 -10.973 1.00 2.32 N ATOM 11 CA PRO A 2 -11.369 -3.738 -11.299 1.00 22.42 C ATOM 12 C PRO A 2 -11.790 -4.998 -10.582 1.00 44.41 C ATOM 13 O PRO A 2 -12.486 -4.912 -9.559 1.00 2.33 O ATOM 14 CB PRO A 2 -10.033 -3.205 -10.746 1.00 43.44 C ATOM 15 CG PRO A 2 -10.441 -2.242 -9.615 1.00 64.45 C ATOM 16 CD PRO A 2 -11.767 -1.656 -10.105 1.00 73.52 C ATOM 0 HA PRO A 2 -11.298 -3.968 -12.362 1.00 22.42 H new ATOM 0 HB2 PRO A 2 -9.407 -4.015 -10.371 1.00 43.44 H new ATOM 0 HB3 PRO A 2 -9.461 -2.691 -11.518 1.00 43.44 H new ATOM 0 HG2 PRO A 2 -10.560 -2.765 -8.666 1.00 64.45 H new ATOM 0 HG3 PRO A 2 -9.692 -1.465 -9.460 1.00 64.45 H new ATOM 0 HD2 PRO A 2 -12.434 -1.432 -9.273 1.00 73.52 H new ATOM 0 HD3 PRO A 2 -11.613 -0.724 -10.649 1.00 73.52 H new ATOM 24 N LYS A 3 -11.393 -6.161 -11.099 1.00 45.44 N ATOM 25 CA LYS A 3 -11.744 -7.414 -10.473 1.00 60.14 C ATOM 26 C LYS A 3 -10.639 -7.685 -9.488 1.00 43.03 C ATOM 27 O LYS A 3 -9.565 -7.087 -9.575 1.00 75.30 O ATOM 28 CB LYS A 3 -11.806 -8.579 -11.496 1.00 64.40 C ATOM 29 CG LYS A 3 -12.926 -8.389 -12.519 1.00 52.45 C ATOM 30 CD LYS A 3 -13.023 -9.530 -13.532 1.00 11.42 C ATOM 31 CE LYS A 3 -14.213 -9.396 -14.497 1.00 74.43 C ATOM 32 NZ LYS A 3 -14.166 -8.117 -15.233 1.00 50.22 N ATOM 0 H LYS A 3 -10.831 -6.251 -11.946 1.00 45.44 H new ATOM 0 HA LYS A 3 -12.730 -7.348 -10.012 1.00 60.14 H new ATOM 0 HB2 LYS A 3 -10.851 -8.656 -12.015 1.00 64.40 H new ATOM 0 HB3 LYS A 3 -11.956 -9.519 -10.965 1.00 64.40 H new ATOM 0 HG2 LYS A 3 -13.877 -8.298 -11.993 1.00 52.45 H new ATOM 0 HG3 LYS A 3 -12.766 -7.452 -13.052 1.00 52.45 H new ATOM 0 HD2 LYS A 3 -12.100 -9.571 -14.110 1.00 11.42 H new ATOM 0 HD3 LYS A 3 -13.105 -10.475 -12.995 1.00 11.42 H new ATOM 0 HE2 LYS A 3 -14.205 -10.225 -15.204 1.00 74.43 H new ATOM 0 HE3 LYS A 3 -15.146 -9.462 -13.938 1.00 74.43 H new ATOM 0 HZ1 LYS A 3 -14.911 -8.106 -15.958 1.00 50.22 H new ATOM 0 HZ2 LYS A 3 -14.316 -7.330 -14.571 1.00 50.22 H new ATOM 0 HZ3 LYS A 3 -13.237 -8.013 -15.689 1.00 50.22 H new ATOM 46 N PRO A 4 -10.888 -8.576 -8.511 1.00 14.54 N ATOM 47 CA PRO A 4 -9.880 -8.938 -7.537 1.00 4.32 C ATOM 48 C PRO A 4 -8.690 -9.521 -8.260 1.00 63.44 C ATOM 49 O PRO A 4 -8.869 -10.359 -9.144 1.00 75.53 O ATOM 50 CB PRO A 4 -10.564 -9.963 -6.604 1.00 41.23 C ATOM 51 CG PRO A 4 -11.794 -10.463 -7.402 1.00 33.54 C ATOM 52 CD PRO A 4 -12.170 -9.253 -8.271 1.00 2.50 C ATOM 0 HA PRO A 4 -9.509 -8.093 -6.957 1.00 4.32 H new ATOM 0 HB2 PRO A 4 -9.891 -10.785 -6.358 1.00 41.23 H new ATOM 0 HB3 PRO A 4 -10.863 -9.503 -5.662 1.00 41.23 H new ATOM 0 HG2 PRO A 4 -11.551 -11.335 -8.010 1.00 33.54 H new ATOM 0 HG3 PRO A 4 -12.611 -10.753 -6.741 1.00 33.54 H new ATOM 0 HD2 PRO A 4 -12.639 -9.563 -9.205 1.00 2.50 H new ATOM 0 HD3 PRO A 4 -12.877 -8.599 -7.761 1.00 2.50 H new ATOM 60 N GLY A 5 -7.493 -9.066 -7.906 1.00 23.01 N ATOM 61 CA GLY A 5 -6.277 -9.618 -8.484 1.00 62.43 C ATOM 62 C GLY A 5 -5.742 -8.660 -9.480 1.00 30.13 C ATOM 63 O GLY A 5 -4.591 -8.737 -9.848 1.00 51.23 O ATOM 0 H GLY A 5 -7.341 -8.321 -7.226 1.00 23.01 H new ATOM 0 HA2 GLY A 5 -5.539 -9.802 -7.704 1.00 62.43 H new ATOM 0 HA3 GLY A 5 -6.486 -10.577 -8.958 1.00 62.43 H new ATOM 67 N ASP A 6 -6.592 -7.737 -9.964 1.00 41.42 N ATOM 68 CA ASP A 6 -6.154 -6.754 -10.954 1.00 52.11 C ATOM 69 C ASP A 6 -5.171 -5.817 -10.282 1.00 20.40 C ATOM 70 O ASP A 6 -5.386 -5.392 -9.145 1.00 45.34 O ATOM 71 CB ASP A 6 -7.331 -5.921 -11.528 1.00 43.00 C ATOM 72 CG ASP A 6 -6.876 -5.118 -12.733 1.00 2.52 C ATOM 73 OD1 ASP A 6 -6.323 -5.723 -13.692 1.00 64.31 O ATOM 74 OD2 ASP A 6 -7.117 -3.899 -12.760 1.00 43.04 O ATOM 0 H ASP A 6 -7.570 -7.656 -9.687 1.00 41.42 H new ATOM 0 HA ASP A 6 -5.700 -7.290 -11.787 1.00 52.11 H new ATOM 0 HB2 ASP A 6 -8.148 -6.584 -11.813 1.00 43.00 H new ATOM 0 HB3 ASP A 6 -7.717 -5.250 -10.761 1.00 43.00 H new ATOM 79 N ILE A 7 -4.057 -5.505 -10.978 1.00 42.11 N ATOM 80 CA ILE A 7 -3.049 -4.617 -10.441 1.00 15.12 C ATOM 81 C ILE A 7 -3.437 -3.281 -10.962 1.00 13.41 C ATOM 82 O ILE A 7 -3.726 -3.138 -12.145 1.00 72.43 O ATOM 83 CB ILE A 7 -1.581 -4.935 -10.872 1.00 23.52 C ATOM 84 CG1 ILE A 7 -1.006 -6.160 -10.112 1.00 30.32 C ATOM 85 CG2 ILE A 7 -0.680 -3.681 -10.656 1.00 35.43 C ATOM 86 CD1 ILE A 7 -1.667 -7.478 -10.449 1.00 70.30 C ATOM 0 H ILE A 7 -3.849 -5.863 -11.910 1.00 42.11 H new ATOM 0 HA ILE A 7 -3.029 -4.706 -9.355 1.00 15.12 H new ATOM 0 HB ILE A 7 -1.591 -5.191 -11.931 1.00 23.52 H new ATOM 0 HG12 ILE A 7 0.060 -6.237 -10.328 1.00 30.32 H new ATOM 0 HG13 ILE A 7 -1.102 -5.984 -9.041 1.00 30.32 H new ATOM 0 HG21 ILE A 7 0.342 -3.911 -10.959 1.00 35.43 H new ATOM 0 HG22 ILE A 7 -1.059 -2.853 -11.256 1.00 35.43 H new ATOM 0 HG23 ILE A 7 -0.692 -3.401 -9.603 1.00 35.43 H new ATOM 0 HD11 ILE A 7 -1.201 -8.277 -9.872 1.00 70.30 H new ATOM 0 HD12 ILE A 7 -2.728 -7.426 -10.206 1.00 70.30 H new ATOM 0 HD13 ILE A 7 -1.548 -7.683 -11.513 1.00 70.30 H new ATOM 98 N PHE A 8 -3.473 -2.282 -10.080 1.00 62.10 N ATOM 99 CA PHE A 8 -3.853 -0.957 -10.461 1.00 63.32 C ATOM 100 C PHE A 8 -2.773 -0.062 -9.954 1.00 45.22 C ATOM 101 O PHE A 8 -2.162 -0.333 -8.916 1.00 12.23 O ATOM 102 CB PHE A 8 -5.272 -0.474 -9.955 1.00 74.54 C ATOM 103 CG PHE A 8 -5.427 -0.607 -8.442 1.00 31.03 C ATOM 104 CD1 PHE A 8 -5.402 -1.881 -7.792 1.00 53.24 C ATOM 105 CD2 PHE A 8 -5.675 0.546 -7.653 1.00 1.35 C ATOM 106 CE1 PHE A 8 -5.586 -1.973 -6.396 1.00 3.14 C ATOM 107 CE2 PHE A 8 -5.865 0.441 -6.260 1.00 25.12 C ATOM 108 CZ PHE A 8 -5.820 -0.814 -5.634 1.00 21.42 C ATOM 0 H PHE A 8 -3.238 -2.385 -9.093 1.00 62.10 H new ATOM 0 HA PHE A 8 -3.962 -0.932 -11.545 1.00 63.32 H new ATOM 0 HB2 PHE A 8 -5.422 0.567 -10.243 1.00 74.54 H new ATOM 0 HB3 PHE A 8 -6.049 -1.057 -10.450 1.00 74.54 H new ATOM 0 HD1 PHE A 8 -5.241 -2.777 -8.373 1.00 53.24 H new ATOM 0 HD2 PHE A 8 -5.719 1.516 -8.126 1.00 1.35 H new ATOM 0 HE1 PHE A 8 -5.547 -2.937 -5.911 1.00 3.14 H new ATOM 0 HE2 PHE A 8 -6.046 1.329 -5.673 1.00 25.12 H new ATOM 0 HZ PHE A 8 -5.965 -0.890 -4.567 1.00 21.42 H new ATOM 118 N GLU A 9 -2.458 0.988 -10.726 1.00 63.23 N ATOM 119 CA GLU A 9 -1.382 1.862 -10.399 1.00 51.21 C ATOM 120 C GLU A 9 -2.008 3.088 -9.849 1.00 3.33 C ATOM 121 O GLU A 9 -2.941 3.618 -10.433 1.00 12.01 O ATOM 122 CB GLU A 9 -0.563 2.261 -11.641 1.00 10.04 C ATOM 123 CG GLU A 9 -0.178 1.043 -12.498 1.00 51.54 C ATOM 124 CD GLU A 9 0.585 1.524 -13.693 1.00 25.54 C ATOM 125 OE1 GLU A 9 1.740 1.985 -13.522 1.00 52.30 O ATOM 126 OE2 GLU A 9 0.037 1.449 -14.813 1.00 12.13 O ATOM 0 H GLU A 9 -2.953 1.233 -11.583 1.00 63.23 H new ATOM 0 HA GLU A 9 -0.705 1.367 -9.702 1.00 51.21 H new ATOM 0 HB2 GLU A 9 -1.140 2.961 -12.245 1.00 10.04 H new ATOM 0 HB3 GLU A 9 0.341 2.782 -11.326 1.00 10.04 H new ATOM 0 HG2 GLU A 9 0.428 0.347 -11.917 1.00 51.54 H new ATOM 0 HG3 GLU A 9 -1.071 0.503 -12.811 1.00 51.54 H new ATOM 133 N VAL A 10 -1.524 3.538 -8.703 1.00 12.04 N ATOM 134 CA VAL A 10 -2.073 4.685 -8.061 1.00 23.01 C ATOM 135 C VAL A 10 -0.927 5.574 -7.824 1.00 60.44 C ATOM 136 O VAL A 10 0.088 5.149 -7.297 1.00 71.14 O ATOM 137 CB VAL A 10 -2.716 4.358 -6.710 1.00 73.12 C ATOM 138 CG1 VAL A 10 -3.244 5.654 -6.056 1.00 62.34 C ATOM 139 CG2 VAL A 10 -3.823 3.310 -6.944 1.00 73.23 C ATOM 0 H VAL A 10 -0.743 3.110 -8.206 1.00 12.04 H new ATOM 0 HA VAL A 10 -2.855 5.119 -8.683 1.00 23.01 H new ATOM 0 HB VAL A 10 -1.989 3.934 -6.017 1.00 73.12 H new ATOM 0 HG11 VAL A 10 -3.701 5.417 -5.095 1.00 62.34 H new ATOM 0 HG12 VAL A 10 -2.417 6.348 -5.903 1.00 62.34 H new ATOM 0 HG13 VAL A 10 -3.987 6.114 -6.707 1.00 62.34 H new ATOM 0 HG21 VAL A 10 -4.296 3.062 -5.994 1.00 73.23 H new ATOM 0 HG22 VAL A 10 -4.570 3.716 -7.626 1.00 73.23 H new ATOM 0 HG23 VAL A 10 -3.387 2.411 -7.378 1.00 73.23 H new ATOM 149 N GLU A 11 -1.054 6.839 -8.218 1.00 43.30 N ATOM 150 CA GLU A 11 -0.049 7.788 -7.890 1.00 14.00 C ATOM 151 C GLU A 11 -0.600 8.587 -6.784 1.00 12.42 C ATOM 152 O GLU A 11 -1.599 9.291 -6.945 1.00 34.04 O ATOM 153 CB GLU A 11 0.375 8.678 -9.045 1.00 1.01 C ATOM 154 CG GLU A 11 0.990 7.828 -10.149 1.00 72.04 C ATOM 155 CD GLU A 11 1.861 8.674 -11.014 1.00 44.31 C ATOM 156 OE1 GLU A 11 1.394 9.714 -11.517 1.00 2.13 O ATOM 157 OE2 GLU A 11 3.036 8.297 -11.196 1.00 1.50 O ATOM 0 H GLU A 11 -1.839 7.206 -8.756 1.00 43.30 H new ATOM 0 HA GLU A 11 0.866 7.262 -7.617 1.00 14.00 H new ATOM 0 HB2 GLU A 11 -0.486 9.225 -9.430 1.00 1.01 H new ATOM 0 HB3 GLU A 11 1.095 9.420 -8.700 1.00 1.01 H new ATOM 0 HG2 GLU A 11 1.573 7.017 -9.713 1.00 72.04 H new ATOM 0 HG3 GLU A 11 0.203 7.369 -10.748 1.00 72.04 H new ATOM 164 N LEU A 12 -0.016 8.405 -5.604 1.00 63.11 N ATOM 165 CA LEU A 12 -0.567 8.912 -4.406 1.00 63.31 C ATOM 166 C LEU A 12 0.229 10.111 -4.045 1.00 24.41 C ATOM 167 O LEU A 12 1.453 10.025 -3.894 1.00 51.31 O ATOM 168 CB LEU A 12 -0.446 7.870 -3.264 1.00 64.12 C ATOM 169 CG LEU A 12 -1.561 7.927 -2.214 1.00 61.12 C ATOM 170 CD1 LEU A 12 -1.481 9.141 -1.302 1.00 60.42 C ATOM 171 CD2 LEU A 12 -2.949 7.747 -2.841 1.00 34.34 C ATOM 0 H LEU A 12 0.858 7.895 -5.478 1.00 63.11 H new ATOM 0 HA LEU A 12 -1.623 9.146 -4.544 1.00 63.31 H new ATOM 0 HB2 LEU A 12 -0.432 6.872 -3.703 1.00 64.12 H new ATOM 0 HB3 LEU A 12 0.512 8.012 -2.763 1.00 64.12 H new ATOM 0 HG LEU A 12 -1.395 7.072 -1.558 1.00 61.12 H new ATOM 0 HD11 LEU A 12 -2.302 9.113 -0.586 1.00 60.42 H new ATOM 0 HD12 LEU A 12 -0.532 9.132 -0.766 1.00 60.42 H new ATOM 0 HD13 LEU A 12 -1.552 10.050 -1.899 1.00 60.42 H new ATOM 0 HD21 LEU A 12 -3.709 7.794 -2.061 1.00 34.34 H new ATOM 0 HD22 LEU A 12 -3.125 8.540 -3.568 1.00 34.34 H new ATOM 0 HD23 LEU A 12 -3.000 6.779 -3.340 1.00 34.34 H new ATOM 183 N ALA A 13 -0.441 11.266 -3.930 1.00 42.25 N ATOM 184 CA ALA A 13 0.240 12.485 -3.592 1.00 64.34 C ATOM 185 C ALA A 13 -0.010 12.736 -2.140 1.00 31.22 C ATOM 186 O ALA A 13 -1.065 12.418 -1.619 1.00 74.55 O ATOM 187 CB ALA A 13 -0.271 13.714 -4.374 1.00 12.14 C ATOM 0 H ALA A 13 -1.447 11.363 -4.068 1.00 42.25 H new ATOM 0 HA ALA A 13 1.294 12.360 -3.841 1.00 64.34 H new ATOM 0 HB1 ALA A 13 0.288 14.598 -4.068 1.00 12.14 H new ATOM 0 HB2 ALA A 13 -0.132 13.549 -5.442 1.00 12.14 H new ATOM 0 HB3 ALA A 13 -1.330 13.864 -4.165 1.00 12.14 H new ATOM 193 N LYS A 14 0.968 13.350 -1.467 1.00 14.23 N ATOM 194 CA LYS A 14 0.832 13.747 -0.058 1.00 12.33 C ATOM 195 C LYS A 14 0.352 15.174 -0.084 1.00 73.22 C ATOM 196 O LYS A 14 0.697 15.975 0.779 1.00 72.32 O ATOM 197 CB LYS A 14 2.193 13.742 0.705 1.00 5.22 C ATOM 198 CG LYS A 14 2.721 12.350 1.114 1.00 44.22 C ATOM 199 CD LYS A 14 2.746 11.318 -0.022 1.00 23.14 C ATOM 200 CE LYS A 14 3.567 10.054 0.281 1.00 62.52 C ATOM 201 NZ LYS A 14 4.978 10.382 0.581 1.00 4.21 N ATOM 0 H LYS A 14 1.871 13.586 -1.878 1.00 14.23 H new ATOM 0 HA LYS A 14 0.163 13.049 0.446 1.00 12.33 H new ATOM 0 HB2 LYS A 14 2.942 14.226 0.079 1.00 5.22 H new ATOM 0 HB3 LYS A 14 2.088 14.350 1.604 1.00 5.22 H new ATOM 0 HG2 LYS A 14 3.731 12.461 1.509 1.00 44.22 H new ATOM 0 HG3 LYS A 14 2.102 11.965 1.924 1.00 44.22 H new ATOM 0 HD2 LYS A 14 1.722 11.024 -0.251 1.00 23.14 H new ATOM 0 HD3 LYS A 14 3.149 11.792 -0.917 1.00 23.14 H new ATOM 0 HE2 LYS A 14 3.127 9.528 1.128 1.00 62.52 H new ATOM 0 HE3 LYS A 14 3.523 9.377 -0.572 1.00 62.52 H new ATOM 0 HZ1 LYS A 14 5.579 9.560 0.366 1.00 4.21 H new ATOM 0 HZ2 LYS A 14 5.277 11.191 0.000 1.00 4.21 H new ATOM 0 HZ3 LYS A 14 5.071 10.626 1.588 1.00 4.21 H new ATOM 215 N ASN A 15 -0.420 15.538 -1.121 1.00 30.12 N ATOM 216 CA ASN A 15 -0.716 16.928 -1.377 1.00 32.42 C ATOM 217 C ASN A 15 -1.881 17.299 -0.534 1.00 30.45 C ATOM 218 O ASN A 15 -1.841 18.284 0.188 1.00 63.22 O ATOM 219 CB ASN A 15 -1.081 17.196 -2.862 1.00 11.53 C ATOM 220 CG ASN A 15 -1.172 18.712 -3.145 1.00 24.13 C ATOM 221 OD1 ASN A 15 -1.959 19.134 -3.991 1.00 1.13 O ATOM 222 ND2 ASN A 15 -0.355 19.540 -2.458 1.00 72.14 N ATOM 0 H ASN A 15 -0.840 14.884 -1.782 1.00 30.12 H new ATOM 0 HA ASN A 15 0.172 17.517 -1.146 1.00 32.42 H new ATOM 0 HB2 ASN A 15 -0.330 16.746 -3.512 1.00 11.53 H new ATOM 0 HB3 ASN A 15 -2.033 16.721 -3.098 1.00 11.53 H new ATOM 0 HD21 ASN A 15 -0.381 20.544 -2.635 1.00 72.14 H new ATOM 0 HD22 ASN A 15 0.287 19.161 -1.762 1.00 72.14 H new ATOM 229 N ASP A 16 -2.961 16.488 -0.611 1.00 71.31 N ATOM 230 CA ASP A 16 -4.196 16.789 0.109 1.00 33.30 C ATOM 231 C ASP A 16 -3.894 16.852 1.581 1.00 72.41 C ATOM 232 O ASP A 16 -4.150 17.858 2.237 1.00 75.12 O ATOM 233 CB ASP A 16 -5.317 15.734 -0.107 1.00 12.24 C ATOM 234 CG ASP A 16 -6.580 16.242 0.563 1.00 44.14 C ATOM 235 OD1 ASP A 16 -7.150 17.250 0.081 1.00 14.13 O ATOM 236 OD2 ASP A 16 -7.007 15.648 1.569 1.00 71.41 O ATOM 0 H ASP A 16 -2.992 15.630 -1.162 1.00 71.31 H new ATOM 0 HA ASP A 16 -4.562 17.738 -0.282 1.00 33.30 H new ATOM 0 HB2 ASP A 16 -5.489 15.574 -1.171 1.00 12.24 H new ATOM 0 HB3 ASP A 16 -5.022 14.774 0.316 1.00 12.24 H new ATOM 241 N ASN A 17 -3.334 15.780 2.116 1.00 14.42 N ATOM 242 CA ASN A 17 -2.988 15.752 3.498 1.00 40.41 C ATOM 243 C ASN A 17 -1.879 14.763 3.562 1.00 70.42 C ATOM 244 O ASN A 17 -1.661 14.027 2.598 1.00 32.00 O ATOM 245 CB ASN A 17 -4.170 15.255 4.404 1.00 10.21 C ATOM 246 CG ASN A 17 -3.767 15.300 5.883 1.00 34.13 C ATOM 247 OD1 ASN A 17 -3.021 16.195 6.316 1.00 70.22 O ATOM 248 ND2 ASN A 17 -4.255 14.323 6.671 1.00 31.55 N ATOM 0 H ASN A 17 -3.116 14.926 1.602 1.00 14.42 H new ATOM 0 HA ASN A 17 -2.729 16.747 3.860 1.00 40.41 H new ATOM 0 HB2 ASN A 17 -5.049 15.879 4.241 1.00 10.21 H new ATOM 0 HB3 ASN A 17 -4.446 14.238 4.127 1.00 10.21 H new ATOM 0 HD21 ASN A 17 -4.015 14.300 7.662 1.00 31.55 H new ATOM 0 HD22 ASN A 17 -4.865 13.607 6.277 1.00 31.55 H new ATOM 255 N SER A 18 -1.136 14.756 4.694 1.00 41.22 N ATOM 256 CA SER A 18 -0.095 13.772 4.974 1.00 42.13 C ATOM 257 C SER A 18 -0.599 12.364 4.662 1.00 10.32 C ATOM 258 O SER A 18 -1.805 12.090 4.682 1.00 15.43 O ATOM 259 CB SER A 18 0.414 13.821 6.424 1.00 51.13 C ATOM 260 OG SER A 18 0.847 15.152 6.736 1.00 33.32 O ATOM 0 H SER A 18 -1.253 15.445 5.437 1.00 41.22 H new ATOM 0 HA SER A 18 0.746 14.026 4.328 1.00 42.13 H new ATOM 0 HB2 SER A 18 -0.377 13.515 7.109 1.00 51.13 H new ATOM 0 HB3 SER A 18 1.238 13.119 6.555 1.00 51.13 H new ATOM 0 HG SER A 18 1.170 15.183 7.661 1.00 33.32 H new ATOM 266 N LEU A 19 0.353 11.473 4.281 1.00 3.12 N ATOM 267 CA LEU A 19 0.029 10.206 3.648 1.00 64.34 C ATOM 268 C LEU A 19 -0.868 9.368 4.508 1.00 33.02 C ATOM 269 O LEU A 19 -1.974 9.034 4.089 1.00 30.21 O ATOM 270 CB LEU A 19 1.242 9.371 3.153 1.00 30.31 C ATOM 271 CG LEU A 19 2.284 8.925 4.213 1.00 60.34 C ATOM 272 CD1 LEU A 19 3.368 8.027 3.610 1.00 42.41 C ATOM 273 CD2 LEU A 19 2.881 10.095 5.000 1.00 54.22 C ATOM 0 H LEU A 19 1.353 11.628 4.411 1.00 3.12 H new ATOM 0 HA LEU A 19 -0.502 10.500 2.743 1.00 64.34 H new ATOM 0 HB2 LEU A 19 0.857 8.477 2.662 1.00 30.31 H new ATOM 0 HB3 LEU A 19 1.763 9.953 2.393 1.00 30.31 H new ATOM 0 HG LEU A 19 1.734 8.325 4.939 1.00 60.34 H new ATOM 0 HD11 LEU A 19 4.076 7.739 4.387 1.00 42.41 H new ATOM 0 HD12 LEU A 19 2.907 7.133 3.189 1.00 42.41 H new ATOM 0 HD13 LEU A 19 3.894 8.569 2.824 1.00 42.41 H new ATOM 0 HD21 LEU A 19 3.602 9.716 5.724 1.00 54.22 H new ATOM 0 HD22 LEU A 19 3.381 10.778 4.313 1.00 54.22 H new ATOM 0 HD23 LEU A 19 2.085 10.625 5.523 1.00 54.22 H new ATOM 285 N GLY A 20 -0.442 9.056 5.747 1.00 42.00 N ATOM 286 CA GLY A 20 -1.275 8.305 6.647 1.00 2.42 C ATOM 287 C GLY A 20 -1.588 6.950 6.092 1.00 61.23 C ATOM 288 O GLY A 20 -2.761 6.560 6.021 1.00 51.42 O ATOM 0 H GLY A 20 0.468 9.319 6.126 1.00 42.00 H new ATOM 0 HA2 GLY A 20 -0.773 8.200 7.609 1.00 2.42 H new ATOM 0 HA3 GLY A 20 -2.202 8.849 6.829 1.00 2.42 H new ATOM 292 N ILE A 21 -0.556 6.195 5.700 1.00 72.14 N ATOM 293 CA ILE A 21 -0.769 4.851 5.222 1.00 1.24 C ATOM 294 C ILE A 21 -0.081 3.995 6.241 1.00 31.14 C ATOM 295 O ILE A 21 0.788 4.473 6.962 1.00 13.11 O ATOM 296 CB ILE A 21 -0.108 4.567 3.847 1.00 21.42 C ATOM 297 CG1 ILE A 21 -0.110 5.789 2.919 1.00 34.40 C ATOM 298 CG2 ILE A 21 -0.765 3.314 3.203 1.00 15.10 C ATOM 299 CD1 ILE A 21 -1.478 6.146 2.457 1.00 22.34 C ATOM 0 H ILE A 21 0.418 6.499 5.709 1.00 72.14 H new ATOM 0 HA ILE A 21 -1.836 4.668 5.092 1.00 1.24 H new ATOM 0 HB ILE A 21 0.948 4.352 4.012 1.00 21.42 H new ATOM 0 HG12 ILE A 21 0.328 6.640 3.441 1.00 34.40 H new ATOM 0 HG13 ILE A 21 0.522 5.586 2.054 1.00 34.40 H new ATOM 0 HG21 ILE A 21 -0.300 3.115 2.237 1.00 15.10 H new ATOM 0 HG22 ILE A 21 -0.625 2.453 3.857 1.00 15.10 H new ATOM 0 HG23 ILE A 21 -1.831 3.494 3.062 1.00 15.10 H new ATOM 0 HD11 ILE A 21 -1.426 7.017 1.803 1.00 22.34 H new ATOM 0 HD12 ILE A 21 -1.908 5.307 1.910 1.00 22.34 H new ATOM 0 HD13 ILE A 21 -2.104 6.376 3.319 1.00 22.34 H new ATOM 311 N CYS A 22 -0.401 2.713 6.302 1.00 12.51 N ATOM 312 CA CYS A 22 0.463 1.822 6.997 1.00 64.00 C ATOM 313 C CYS A 22 0.189 0.515 6.363 1.00 61.11 C ATOM 314 O CYS A 22 -0.777 0.390 5.605 1.00 2.43 O ATOM 315 CB CYS A 22 0.154 1.712 8.514 1.00 63.20 C ATOM 316 SG CYS A 22 1.654 1.410 9.502 1.00 54.34 S ATOM 0 H CYS A 22 -1.231 2.291 5.887 1.00 12.51 H new ATOM 0 HA CYS A 22 1.496 2.164 6.935 1.00 64.00 H new ATOM 0 HB2 CYS A 22 -0.323 2.631 8.853 1.00 63.20 H new ATOM 0 HB3 CYS A 22 -0.557 0.903 8.680 1.00 63.20 H new ATOM 321 N VAL A 23 1.080 -0.457 6.544 1.00 61.21 N ATOM 322 CA VAL A 23 0.992 -1.675 5.807 1.00 3.14 C ATOM 323 C VAL A 23 1.420 -2.749 6.761 1.00 74.54 C ATOM 324 O VAL A 23 1.916 -2.461 7.855 1.00 71.54 O ATOM 325 CB VAL A 23 1.896 -1.697 4.559 1.00 64.41 C ATOM 326 CG1 VAL A 23 1.145 -1.016 3.391 1.00 63.14 C ATOM 327 CG2 VAL A 23 3.220 -1.001 4.882 1.00 60.45 C ATOM 0 H VAL A 23 1.862 -0.407 7.197 1.00 61.21 H new ATOM 0 HA VAL A 23 -0.023 -1.809 5.434 1.00 3.14 H new ATOM 0 HB VAL A 23 2.129 -2.719 4.260 1.00 64.41 H new ATOM 0 HG11 VAL A 23 1.773 -1.024 2.500 1.00 63.14 H new ATOM 0 HG12 VAL A 23 0.221 -1.557 3.188 1.00 63.14 H new ATOM 0 HG13 VAL A 23 0.911 0.014 3.660 1.00 63.14 H new ATOM 0 HG21 VAL A 23 3.862 -1.014 4.002 1.00 60.45 H new ATOM 0 HG22 VAL A 23 3.027 0.031 5.174 1.00 60.45 H new ATOM 0 HG23 VAL A 23 3.715 -1.523 5.701 1.00 60.45 H new ATOM 337 N THR A 24 1.182 -3.990 6.376 1.00 35.25 N ATOM 338 CA THR A 24 1.475 -5.121 7.192 1.00 54.50 C ATOM 339 C THR A 24 1.857 -6.187 6.209 1.00 12.11 C ATOM 340 O THR A 24 1.609 -6.038 5.023 1.00 34.12 O ATOM 341 CB THR A 24 0.258 -5.580 8.040 1.00 43.21 C ATOM 342 OG1 THR A 24 0.577 -6.684 8.907 1.00 33.43 O ATOM 343 CG2 THR A 24 -0.924 -5.953 7.106 1.00 61.03 C ATOM 0 H THR A 24 0.774 -4.228 5.472 1.00 35.25 H new ATOM 0 HA THR A 24 2.256 -4.895 7.917 1.00 54.50 H new ATOM 0 HB THR A 24 -0.028 -4.745 8.680 1.00 43.21 H new ATOM 0 HG1 THR A 24 -0.218 -6.936 9.421 1.00 33.43 H new ATOM 0 HG21 THR A 24 -1.775 -6.274 7.707 1.00 61.03 H new ATOM 0 HG22 THR A 24 -1.207 -5.084 6.512 1.00 61.03 H new ATOM 0 HG23 THR A 24 -0.622 -6.763 6.442 1.00 61.03 H new ATOM 351 N GLY A 25 2.453 -7.282 6.692 1.00 34.15 N ATOM 352 CA GLY A 25 2.733 -8.417 5.859 1.00 10.12 C ATOM 353 C GLY A 25 4.015 -8.245 5.114 1.00 31.34 C ATOM 354 O GLY A 25 4.301 -7.197 4.625 1.00 63.32 O ATOM 0 H GLY A 25 2.746 -7.390 7.663 1.00 34.15 H new ATOM 0 HA2 GLY A 25 2.785 -9.316 6.473 1.00 10.12 H new ATOM 0 HA3 GLY A 25 1.916 -8.561 5.152 1.00 10.12 H new ATOM 358 N GLY A 26 4.814 -9.345 5.032 1.00 14.20 N ATOM 359 CA GLY A 26 5.939 -9.408 4.132 1.00 44.14 C ATOM 360 C GLY A 26 6.463 -10.845 4.080 1.00 54.32 C ATOM 361 O GLY A 26 6.068 -11.634 3.218 1.00 51.41 O ATOM 0 H GLY A 26 4.677 -10.188 5.590 1.00 14.20 H new ATOM 0 HA2 GLY A 26 5.642 -9.081 3.136 1.00 44.14 H new ATOM 0 HA3 GLY A 26 6.726 -8.733 4.468 1.00 44.14 H new ATOM 365 N VAL A 27 7.409 -11.169 5.000 1.00 45.03 N ATOM 366 CA VAL A 27 8.305 -12.370 4.999 1.00 20.14 C ATOM 367 C VAL A 27 7.628 -13.760 5.064 1.00 64.30 C ATOM 368 O VAL A 27 8.279 -14.703 5.506 1.00 51.00 O ATOM 369 CB VAL A 27 9.379 -12.291 6.066 1.00 12.22 C ATOM 370 CG1 VAL A 27 10.198 -11.027 5.794 1.00 3.02 C ATOM 371 CG2 VAL A 27 8.718 -12.299 7.468 1.00 60.23 C ATOM 0 H VAL A 27 7.581 -10.571 5.808 1.00 45.03 H new ATOM 0 HA VAL A 27 8.742 -12.310 4.002 1.00 20.14 H new ATOM 0 HB VAL A 27 10.049 -13.150 6.040 1.00 12.22 H new ATOM 0 HG11 VAL A 27 10.984 -10.934 6.544 1.00 3.02 H new ATOM 0 HG12 VAL A 27 10.647 -11.091 4.803 1.00 3.02 H new ATOM 0 HG13 VAL A 27 9.547 -10.154 5.842 1.00 3.02 H new ATOM 0 HG21 VAL A 27 9.491 -12.242 8.235 1.00 60.23 H new ATOM 0 HG22 VAL A 27 8.051 -11.442 7.561 1.00 60.23 H new ATOM 0 HG23 VAL A 27 8.147 -13.219 7.596 1.00 60.23 H new ATOM 381 N ASN A 28 6.337 -13.894 4.713 1.00 4.15 N ATOM 382 CA ASN A 28 5.510 -15.100 5.035 1.00 11.31 C ATOM 383 C ASN A 28 4.935 -14.834 6.357 1.00 74.32 C ATOM 384 O ASN A 28 5.230 -15.455 7.367 1.00 33.25 O ATOM 385 CB ASN A 28 6.164 -16.521 5.023 1.00 50.34 C ATOM 386 CG ASN A 28 6.546 -16.871 3.592 1.00 34.22 C ATOM 387 OD1 ASN A 28 5.687 -16.921 2.700 1.00 10.33 O ATOM 388 ND2 ASN A 28 7.835 -17.125 3.342 1.00 53.44 N ATOM 0 H ASN A 28 5.826 -13.177 4.198 1.00 4.15 H new ATOM 0 HA ASN A 28 4.806 -15.196 4.208 1.00 11.31 H new ATOM 0 HB2 ASN A 28 7.046 -16.537 5.664 1.00 50.34 H new ATOM 0 HB3 ASN A 28 5.468 -17.260 5.420 1.00 50.34 H new ATOM 0 HD21 ASN A 28 8.133 -17.367 2.397 1.00 53.44 H new ATOM 0 HD22 ASN A 28 8.520 -17.076 4.096 1.00 53.44 H new ATOM 395 N THR A 29 4.117 -13.825 6.314 1.00 45.11 N ATOM 396 CA THR A 29 3.412 -13.268 7.391 1.00 52.23 C ATOM 397 C THR A 29 2.120 -14.094 7.529 1.00 14.44 C ATOM 398 O THR A 29 2.006 -15.201 6.983 1.00 73.40 O ATOM 399 CB THR A 29 3.109 -11.813 7.061 1.00 54.43 C ATOM 400 OG1 THR A 29 2.315 -11.151 8.043 1.00 72.34 O ATOM 401 CG2 THR A 29 2.413 -11.795 5.681 1.00 23.04 C ATOM 0 H THR A 29 3.921 -13.340 5.439 1.00 45.11 H new ATOM 0 HA THR A 29 3.972 -13.291 8.326 1.00 52.23 H new ATOM 0 HB THR A 29 4.046 -11.257 7.046 1.00 54.43 H new ATOM 0 HG1 THR A 29 1.564 -10.699 7.606 1.00 72.34 H new ATOM 0 HG21 THR A 29 2.178 -10.767 5.406 1.00 23.04 H new ATOM 0 HG22 THR A 29 3.077 -12.228 4.933 1.00 23.04 H new ATOM 0 HG23 THR A 29 1.493 -12.377 5.730 1.00 23.04 H new ATOM 409 N SER A 30 1.164 -13.576 8.312 1.00 64.54 N ATOM 410 CA SER A 30 -0.081 -14.228 8.616 1.00 63.34 C ATOM 411 C SER A 30 -0.883 -14.475 7.339 1.00 4.21 C ATOM 412 O SER A 30 -1.623 -15.447 7.248 1.00 14.34 O ATOM 413 CB SER A 30 -0.941 -13.353 9.558 1.00 72.43 C ATOM 414 OG SER A 30 -0.139 -12.882 10.660 1.00 44.01 O ATOM 0 H SER A 30 1.255 -12.663 8.757 1.00 64.54 H new ATOM 0 HA SER A 30 0.157 -15.175 9.100 1.00 63.34 H new ATOM 0 HB2 SER A 30 -1.351 -12.506 9.008 1.00 72.43 H new ATOM 0 HB3 SER A 30 -1.787 -13.930 9.933 1.00 72.43 H new ATOM 0 HG SER A 30 -0.689 -12.327 11.251 1.00 44.01 H new ATOM 420 N VAL A 31 -0.741 -13.598 6.327 1.00 72.00 N ATOM 421 CA VAL A 31 -1.518 -13.739 5.119 1.00 62.10 C ATOM 422 C VAL A 31 -0.756 -14.672 4.178 1.00 72.41 C ATOM 423 O VAL A 31 0.481 -14.627 4.084 1.00 23.32 O ATOM 424 CB VAL A 31 -1.800 -12.414 4.426 1.00 71.15 C ATOM 425 CG1 VAL A 31 -2.895 -11.686 5.228 1.00 62.23 C ATOM 426 CG2 VAL A 31 -0.498 -11.598 4.336 1.00 11.53 C ATOM 0 H VAL A 31 -0.102 -12.803 6.337 1.00 72.00 H new ATOM 0 HA VAL A 31 -2.492 -14.149 5.387 1.00 62.10 H new ATOM 0 HB VAL A 31 -2.156 -12.561 3.406 1.00 71.15 H new ATOM 0 HG11 VAL A 31 -3.119 -10.730 4.754 1.00 62.23 H new ATOM 0 HG12 VAL A 31 -3.796 -12.299 5.253 1.00 62.23 H new ATOM 0 HG13 VAL A 31 -2.546 -11.513 6.246 1.00 62.23 H new ATOM 0 HG21 VAL A 31 -0.697 -10.648 3.840 1.00 11.53 H new ATOM 0 HG22 VAL A 31 -0.116 -11.410 5.340 1.00 11.53 H new ATOM 0 HG23 VAL A 31 0.243 -12.157 3.765 1.00 11.53 H new ATOM 436 N ARG A 32 -1.507 -15.563 3.493 1.00 0.02 N ATOM 437 CA ARG A 32 -0.940 -16.612 2.649 1.00 13.23 C ATOM 438 C ARG A 32 -0.263 -16.006 1.460 1.00 31.32 C ATOM 439 O ARG A 32 0.782 -16.481 1.025 1.00 62.21 O ATOM 440 CB ARG A 32 -2.024 -17.591 2.143 1.00 62.31 C ATOM 441 CG ARG A 32 -1.512 -18.676 1.174 1.00 33.22 C ATOM 442 CD ARG A 32 -2.520 -19.825 0.970 1.00 53.21 C ATOM 443 NE ARG A 32 -2.724 -20.471 2.311 1.00 13.11 N ATOM 444 CZ ARG A 32 -1.812 -21.378 2.830 1.00 5.52 C ATOM 445 NH1 ARG A 32 -0.758 -21.823 2.063 1.00 41.13 N ATOM 446 NH2 ARG A 32 -1.954 -21.824 4.111 1.00 63.14 N ATOM 0 H ARG A 32 -2.527 -15.566 3.517 1.00 0.02 H new ATOM 0 HA ARG A 32 -0.225 -17.162 3.260 1.00 13.23 H new ATOM 0 HB2 ARG A 32 -2.483 -18.079 3.003 1.00 62.31 H new ATOM 0 HB3 ARG A 32 -2.807 -17.019 1.645 1.00 62.31 H new ATOM 0 HG2 ARG A 32 -1.290 -18.219 0.210 1.00 33.22 H new ATOM 0 HG3 ARG A 32 -0.576 -19.084 1.556 1.00 33.22 H new ATOM 0 HD2 ARG A 32 -3.463 -19.446 0.577 1.00 53.21 H new ATOM 0 HD3 ARG A 32 -2.141 -20.547 0.247 1.00 53.21 H new ATOM 0 HE ARG A 32 -3.555 -20.236 2.854 1.00 13.11 H new ATOM 0 HH11 ARG A 32 -0.645 -21.485 1.107 1.00 41.13 H new ATOM 0 HH12 ARG A 32 -0.091 -22.490 2.451 1.00 41.13 H new ATOM 0 HH21 ARG A 32 -2.729 -21.491 4.684 1.00 63.14 H new ATOM 0 HH22 ARG A 32 -1.285 -22.491 4.496 1.00 63.14 H new ATOM 460 N HIS A 33 -0.829 -14.924 0.896 1.00 30.34 N ATOM 461 CA HIS A 33 -0.250 -14.347 -0.322 1.00 12.24 C ATOM 462 C HIS A 33 1.082 -13.704 0.000 1.00 61.12 C ATOM 463 O HIS A 33 1.790 -13.296 -0.894 1.00 25.30 O ATOM 464 CB HIS A 33 -1.119 -13.252 -1.003 1.00 54.43 C ATOM 465 CG HIS A 33 -2.367 -13.769 -1.679 1.00 64.32 C ATOM 466 ND1 HIS A 33 -3.513 -14.032 -1.000 1.00 1.51 N ATOM 467 CD2 HIS A 33 -2.609 -14.021 -2.981 1.00 12.50 C ATOM 468 CE1 HIS A 33 -4.439 -14.429 -1.868 1.00 55.00 C ATOM 469 NE2 HIS A 33 -3.908 -14.429 -3.079 1.00 11.22 N ATOM 0 H HIS A 33 -1.658 -14.448 1.251 1.00 30.34 H new ATOM 0 HA HIS A 33 -0.166 -15.186 -1.012 1.00 12.24 H new ATOM 0 HB2 HIS A 33 -1.407 -12.516 -0.252 1.00 54.43 H new ATOM 0 HB3 HIS A 33 -0.510 -12.732 -1.742 1.00 54.43 H new ATOM 0 HD2 HIS A 33 -1.906 -13.919 -3.795 1.00 12.50 H new ATOM 0 HE1 HIS A 33 -5.454 -14.705 -1.625 1.00 55.00 H new ATOM 0 HE2 HIS A 33 -4.388 -14.690 -3.941 1.00 11.22 H new ATOM 478 N GLY A 34 1.442 -13.581 1.316 1.00 43.35 N ATOM 479 CA GLY A 34 2.685 -12.890 1.720 1.00 72.45 C ATOM 480 C GLY A 34 2.572 -11.438 1.340 1.00 34.31 C ATOM 481 O GLY A 34 3.557 -10.711 1.285 1.00 72.32 O ATOM 0 H GLY A 34 0.893 -13.948 2.093 1.00 43.35 H new ATOM 0 HA2 GLY A 34 2.841 -12.989 2.794 1.00 72.45 H new ATOM 0 HA3 GLY A 34 3.546 -13.343 1.230 1.00 72.45 H new ATOM 485 N GLY A 35 1.342 -11.029 1.015 1.00 43.25 N ATOM 486 CA GLY A 35 1.087 -9.730 0.494 1.00 34.22 C ATOM 487 C GLY A 35 1.388 -8.714 1.525 1.00 63.34 C ATOM 488 O GLY A 35 1.150 -8.920 2.712 1.00 64.51 O ATOM 0 H GLY A 35 0.509 -11.609 1.115 1.00 43.25 H new ATOM 0 HA2 GLY A 35 1.698 -9.556 -0.392 1.00 34.22 H new ATOM 0 HA3 GLY A 35 0.045 -9.650 0.183 1.00 34.22 H new ATOM 492 N ILE A 36 1.897 -7.572 1.056 1.00 61.12 N ATOM 493 CA ILE A 36 2.079 -6.431 1.869 1.00 42.32 C ATOM 494 C ILE A 36 0.716 -5.754 1.795 1.00 41.14 C ATOM 495 O ILE A 36 0.357 -5.217 0.756 1.00 23.43 O ATOM 496 CB ILE A 36 3.130 -5.486 1.253 1.00 51.55 C ATOM 497 CG1 ILE A 36 4.462 -6.233 0.840 1.00 70.12 C ATOM 498 CG2 ILE A 36 3.339 -4.279 2.168 1.00 3.04 C ATOM 499 CD1 ILE A 36 5.600 -6.232 1.888 1.00 21.54 C ATOM 0 H ILE A 36 2.188 -7.442 0.087 1.00 61.12 H new ATOM 0 HA ILE A 36 2.415 -6.677 2.876 1.00 42.32 H new ATOM 0 HB ILE A 36 2.748 -5.106 0.305 1.00 51.55 H new ATOM 0 HG12 ILE A 36 4.215 -7.268 0.604 1.00 70.12 H new ATOM 0 HG13 ILE A 36 4.840 -5.778 -0.076 1.00 70.12 H new ATOM 0 HG21 ILE A 36 4.083 -3.614 1.729 1.00 3.04 H new ATOM 0 HG22 ILE A 36 2.397 -3.743 2.285 1.00 3.04 H new ATOM 0 HG23 ILE A 36 3.687 -4.618 3.144 1.00 3.04 H new ATOM 0 HD11 ILE A 36 6.460 -6.773 1.492 1.00 21.54 H new ATOM 0 HD12 ILE A 36 5.889 -5.205 2.110 1.00 21.54 H new ATOM 0 HD13 ILE A 36 5.255 -6.718 2.801 1.00 21.54 H new ATOM 511 N TYR A 37 -0.100 -5.857 2.840 1.00 43.22 N ATOM 512 CA TYR A 37 -1.471 -5.373 2.755 1.00 1.14 C ATOM 513 C TYR A 37 -1.522 -4.062 3.433 1.00 44.42 C ATOM 514 O TYR A 37 -0.816 -3.828 4.402 1.00 14.35 O ATOM 515 CB TYR A 37 -2.526 -6.279 3.452 1.00 73.00 C ATOM 516 CG TYR A 37 -2.780 -7.489 2.596 1.00 5.22 C ATOM 517 CD1 TYR A 37 -1.969 -8.630 2.700 1.00 72.21 C ATOM 518 CD2 TYR A 37 -3.857 -7.504 1.684 1.00 11.41 C ATOM 519 CE1 TYR A 37 -2.229 -9.771 1.908 1.00 54.24 C ATOM 520 CE2 TYR A 37 -4.126 -8.645 0.904 1.00 25.43 C ATOM 521 CZ TYR A 37 -3.307 -9.782 1.023 1.00 71.54 C ATOM 522 OH TYR A 37 -3.568 -10.937 0.258 1.00 51.43 O ATOM 0 H TYR A 37 0.159 -6.264 3.739 1.00 43.22 H new ATOM 0 HA TYR A 37 -1.722 -5.343 1.695 1.00 1.14 H new ATOM 0 HB2 TYR A 37 -2.169 -6.583 4.436 1.00 73.00 H new ATOM 0 HB3 TYR A 37 -3.453 -5.726 3.606 1.00 73.00 H new ATOM 0 HD1 TYR A 37 -1.139 -8.636 3.391 1.00 72.21 H new ATOM 0 HD2 TYR A 37 -4.483 -6.629 1.583 1.00 11.41 H new ATOM 0 HE1 TYR A 37 -1.590 -10.638 1.988 1.00 54.24 H new ATOM 0 HE2 TYR A 37 -4.959 -8.647 0.216 1.00 25.43 H new ATOM 0 HH TYR A 37 -4.353 -10.784 -0.308 1.00 51.43 H new ATOM 532 N VAL A 38 -2.397 -3.170 2.936 1.00 72.34 N ATOM 533 CA VAL A 38 -2.674 -1.913 3.577 1.00 34.51 C ATOM 534 C VAL A 38 -3.334 -2.235 4.906 1.00 41.31 C ATOM 535 O VAL A 38 -4.213 -3.108 4.993 1.00 25.11 O ATOM 536 CB VAL A 38 -3.582 -1.038 2.721 1.00 12.12 C ATOM 537 CG1 VAL A 38 -3.982 0.226 3.478 1.00 22.12 C ATOM 538 CG2 VAL A 38 -2.836 -0.718 1.403 1.00 1.14 C ATOM 0 H VAL A 38 -2.923 -3.320 2.075 1.00 72.34 H new ATOM 0 HA VAL A 38 -1.752 -1.350 3.722 1.00 34.51 H new ATOM 0 HB VAL A 38 -4.509 -1.561 2.487 1.00 12.12 H new ATOM 0 HG11 VAL A 38 -4.630 0.837 2.849 1.00 22.12 H new ATOM 0 HG12 VAL A 38 -4.514 -0.048 4.389 1.00 22.12 H new ATOM 0 HG13 VAL A 38 -3.088 0.793 3.737 1.00 22.12 H new ATOM 0 HG21 VAL A 38 -3.466 -0.092 0.771 1.00 1.14 H new ATOM 0 HG22 VAL A 38 -1.909 -0.190 1.628 1.00 1.14 H new ATOM 0 HG23 VAL A 38 -2.607 -1.646 0.880 1.00 1.14 H new ATOM 548 N LYS A 39 -2.846 -1.581 5.978 1.00 41.11 N ATOM 549 CA LYS A 39 -3.191 -1.972 7.321 1.00 33.34 C ATOM 550 C LYS A 39 -4.084 -0.937 7.898 1.00 14.21 C ATOM 551 O LYS A 39 -5.096 -1.255 8.501 1.00 22.53 O ATOM 552 CB LYS A 39 -1.949 -2.052 8.234 1.00 43.31 C ATOM 553 CG LYS A 39 -2.266 -2.577 9.653 1.00 53.31 C ATOM 554 CD LYS A 39 -1.058 -2.665 10.595 1.00 25.24 C ATOM 555 CE LYS A 39 -0.459 -1.302 10.989 1.00 33.20 C ATOM 556 NZ LYS A 39 0.627 -1.468 11.987 1.00 51.12 N ATOM 0 H LYS A 39 -2.214 -0.783 5.920 1.00 41.11 H new ATOM 0 HA LYS A 39 -3.664 -2.953 7.269 1.00 33.34 H new ATOM 0 HB2 LYS A 39 -1.207 -2.703 7.771 1.00 43.31 H new ATOM 0 HB3 LYS A 39 -1.500 -1.062 8.312 1.00 43.31 H new ATOM 0 HG2 LYS A 39 -3.015 -1.927 10.106 1.00 53.31 H new ATOM 0 HG3 LYS A 39 -2.714 -3.567 9.567 1.00 53.31 H new ATOM 0 HD2 LYS A 39 -1.357 -3.193 11.501 1.00 25.24 H new ATOM 0 HD3 LYS A 39 -0.283 -3.265 10.118 1.00 25.24 H new ATOM 0 HE2 LYS A 39 -0.070 -0.802 10.102 1.00 33.20 H new ATOM 0 HE3 LYS A 39 -1.240 -0.662 11.399 1.00 33.20 H new ATOM 0 HZ1 LYS A 39 1.260 -0.643 11.952 1.00 51.12 H new ATOM 0 HZ2 LYS A 39 0.215 -1.548 12.939 1.00 51.12 H new ATOM 0 HZ3 LYS A 39 1.168 -2.329 11.771 1.00 51.12 H new ATOM 570 N ALA A 40 -3.696 0.332 7.761 1.00 14.15 N ATOM 571 CA ALA A 40 -4.401 1.383 8.435 1.00 3.02 C ATOM 572 C ALA A 40 -4.415 2.513 7.506 1.00 41.03 C ATOM 573 O ALA A 40 -3.467 2.697 6.737 1.00 32.44 O ATOM 574 CB ALA A 40 -3.722 1.868 9.738 1.00 50.45 C ATOM 0 H ALA A 40 -2.906 0.638 7.193 1.00 14.15 H new ATOM 0 HA ALA A 40 -5.384 1.006 8.716 1.00 3.02 H new ATOM 0 HB1 ALA A 40 -4.319 2.663 10.185 1.00 50.45 H new ATOM 0 HB2 ALA A 40 -3.642 1.036 10.438 1.00 50.45 H new ATOM 0 HB3 ALA A 40 -2.726 2.247 9.510 1.00 50.45 H new ATOM 580 N VAL A 41 -5.502 3.281 7.542 1.00 41.03 N ATOM 581 CA VAL A 41 -5.622 4.453 6.745 1.00 74.24 C ATOM 582 C VAL A 41 -6.064 5.508 7.716 1.00 61.52 C ATOM 583 O VAL A 41 -6.990 5.283 8.492 1.00 1.42 O ATOM 584 CB VAL A 41 -6.687 4.319 5.645 1.00 64.34 C ATOM 585 CG1 VAL A 41 -6.709 5.607 4.798 1.00 33.12 C ATOM 586 CG2 VAL A 41 -6.368 3.054 4.807 1.00 55.05 C ATOM 0 H VAL A 41 -6.312 3.090 8.131 1.00 41.03 H new ATOM 0 HA VAL A 41 -4.684 4.669 6.234 1.00 74.24 H new ATOM 0 HB VAL A 41 -7.685 4.199 6.067 1.00 64.34 H new ATOM 0 HG11 VAL A 41 -7.463 5.516 4.017 1.00 33.12 H new ATOM 0 HG12 VAL A 41 -6.948 6.458 5.436 1.00 33.12 H new ATOM 0 HG13 VAL A 41 -5.731 5.759 4.342 1.00 33.12 H new ATOM 0 HG21 VAL A 41 -7.114 2.941 4.020 1.00 55.05 H new ATOM 0 HG22 VAL A 41 -5.380 3.154 4.359 1.00 55.05 H new ATOM 0 HG23 VAL A 41 -6.386 2.176 5.452 1.00 55.05 H new ATOM 596 N ILE A 42 -5.389 6.680 7.725 1.00 4.02 N ATOM 597 CA ILE A 42 -5.822 7.778 8.598 1.00 35.32 C ATOM 598 C ILE A 42 -7.151 8.241 8.059 1.00 73.41 C ATOM 599 O ILE A 42 -7.333 8.316 6.843 1.00 61.50 O ATOM 600 CB ILE A 42 -4.858 8.996 8.611 1.00 73.25 C ATOM 601 CG1 ILE A 42 -3.432 8.564 8.860 1.00 30.31 C ATOM 602 CG2 ILE A 42 -5.315 10.032 9.636 1.00 44.44 C ATOM 603 CD1 ILE A 42 -3.232 7.793 10.101 1.00 73.15 C ATOM 0 H ILE A 42 -4.568 6.881 7.154 1.00 4.02 H new ATOM 0 HA ILE A 42 -5.859 7.406 9.622 1.00 35.32 H new ATOM 0 HB ILE A 42 -4.887 9.462 7.626 1.00 73.25 H new ATOM 0 HG12 ILE A 42 -3.096 7.962 8.016 1.00 30.31 H new ATOM 0 HG13 ILE A 42 -2.798 9.450 8.892 1.00 30.31 H new ATOM 0 HG21 ILE A 42 -4.627 10.878 9.630 1.00 44.44 H new ATOM 0 HG22 ILE A 42 -6.317 10.378 9.382 1.00 44.44 H new ATOM 0 HG23 ILE A 42 -5.327 9.581 10.628 1.00 44.44 H new ATOM 0 HD11 ILE A 42 -2.180 7.526 10.198 1.00 73.15 H new ATOM 0 HD12 ILE A 42 -3.533 8.397 10.957 1.00 73.15 H new ATOM 0 HD13 ILE A 42 -3.835 6.886 10.067 1.00 73.15 H new ATOM 615 N PRO A 43 -8.096 8.581 8.960 1.00 60.54 N ATOM 616 CA PRO A 43 -9.309 9.264 8.580 1.00 31.31 C ATOM 617 C PRO A 43 -8.923 10.557 7.918 1.00 20.21 C ATOM 618 O PRO A 43 -8.425 11.466 8.602 1.00 4.33 O ATOM 619 CB PRO A 43 -10.075 9.487 9.897 1.00 64.34 C ATOM 620 CG PRO A 43 -9.012 9.324 11.003 1.00 60.30 C ATOM 621 CD PRO A 43 -8.029 8.322 10.405 1.00 23.12 C ATOM 0 HA PRO A 43 -9.932 8.712 7.876 1.00 31.31 H new ATOM 0 HB2 PRO A 43 -10.529 10.477 9.928 1.00 64.34 H new ATOM 0 HB3 PRO A 43 -10.881 8.763 10.013 1.00 64.34 H new ATOM 0 HG2 PRO A 43 -8.527 10.272 11.237 1.00 60.30 H new ATOM 0 HG3 PRO A 43 -9.450 8.953 11.930 1.00 60.30 H new ATOM 0 HD2 PRO A 43 -7.021 8.472 10.791 1.00 23.12 H new ATOM 0 HD3 PRO A 43 -8.311 7.296 10.641 1.00 23.12 H new ATOM 629 N GLN A 44 -9.131 10.630 6.590 1.00 31.43 N ATOM 630 CA GLN A 44 -8.783 11.771 5.791 1.00 13.13 C ATOM 631 C GLN A 44 -7.282 11.904 5.664 1.00 23.21 C ATOM 632 O GLN A 44 -6.766 13.016 5.459 1.00 22.00 O ATOM 633 CB GLN A 44 -9.415 13.100 6.249 1.00 42.22 C ATOM 634 CG GLN A 44 -10.947 13.030 6.287 1.00 70.14 C ATOM 635 CD GLN A 44 -11.480 14.301 6.917 1.00 50.33 C ATOM 636 OE1 GLN A 44 -12.315 14.246 7.816 1.00 51.03 O ATOM 637 NE2 GLN A 44 -11.013 15.461 6.452 1.00 54.31 N ATOM 0 H GLN A 44 -9.554 9.873 6.053 1.00 31.43 H new ATOM 0 HA GLN A 44 -9.216 11.573 4.811 1.00 13.13 H new ATOM 0 HB2 GLN A 44 -9.040 13.356 7.240 1.00 42.22 H new ATOM 0 HB3 GLN A 44 -9.106 13.899 5.575 1.00 42.22 H new ATOM 0 HG2 GLN A 44 -11.344 12.914 5.279 1.00 70.14 H new ATOM 0 HG3 GLN A 44 -11.271 12.161 6.860 1.00 70.14 H new ATOM 0 HE21 GLN A 44 -10.319 15.469 5.704 1.00 54.31 H new ATOM 0 HE22 GLN A 44 -11.349 16.340 6.844 1.00 54.31 H new ATOM 646 N GLY A 45 -6.534 10.758 5.698 1.00 65.21 N ATOM 647 CA GLY A 45 -5.167 10.765 5.215 1.00 1.13 C ATOM 648 C GLY A 45 -5.224 10.863 3.705 1.00 41.21 C ATOM 649 O GLY A 45 -6.304 10.934 3.107 1.00 24.21 O ATOM 0 H GLY A 45 -6.865 9.859 6.048 1.00 65.21 H new ATOM 0 HA2 GLY A 45 -4.616 11.607 5.634 1.00 1.13 H new ATOM 0 HA3 GLY A 45 -4.646 9.858 5.522 1.00 1.13 H new ATOM 653 N ALA A 46 -4.043 10.863 3.054 1.00 13.30 N ATOM 654 CA ALA A 46 -3.945 11.107 1.613 1.00 21.34 C ATOM 655 C ALA A 46 -4.656 10.002 0.865 1.00 13.51 C ATOM 656 O ALA A 46 -5.272 10.238 -0.167 1.00 52.23 O ATOM 657 CB ALA A 46 -2.484 11.147 1.106 1.00 43.54 C ATOM 0 H ALA A 46 -3.146 10.696 3.510 1.00 13.30 H new ATOM 0 HA ALA A 46 -4.400 12.081 1.433 1.00 21.34 H new ATOM 0 HB1 ALA A 46 -2.477 11.331 0.032 1.00 43.54 H new ATOM 0 HB2 ALA A 46 -1.944 11.946 1.615 1.00 43.54 H new ATOM 0 HB3 ALA A 46 -2.000 10.193 1.314 1.00 43.54 H new ATOM 663 N ALA A 47 -4.581 8.763 1.399 1.00 30.22 N ATOM 664 CA ALA A 47 -5.169 7.594 0.736 1.00 10.21 C ATOM 665 C ALA A 47 -6.658 7.780 0.630 1.00 41.54 C ATOM 666 O ALA A 47 -7.229 7.564 -0.419 1.00 64.54 O ATOM 667 CB ALA A 47 -4.934 6.276 1.493 1.00 52.22 C ATOM 0 H ALA A 47 -4.119 8.554 2.284 1.00 30.22 H new ATOM 0 HA ALA A 47 -4.683 7.523 -0.237 1.00 10.21 H new ATOM 0 HB1 ALA A 47 -5.396 5.455 0.945 1.00 52.22 H new ATOM 0 HB2 ALA A 47 -3.863 6.095 1.584 1.00 52.22 H new ATOM 0 HB3 ALA A 47 -5.376 6.343 2.487 1.00 52.22 H new ATOM 673 N GLU A 48 -7.310 8.177 1.747 1.00 3.53 N ATOM 674 CA GLU A 48 -8.770 8.268 1.783 1.00 61.25 C ATOM 675 C GLU A 48 -9.231 9.383 0.875 1.00 53.51 C ATOM 676 O GLU A 48 -10.282 9.288 0.230 1.00 50.42 O ATOM 677 CB GLU A 48 -9.375 8.489 3.196 1.00 73.23 C ATOM 678 CG GLU A 48 -10.914 8.366 3.193 1.00 72.40 C ATOM 679 CD GLU A 48 -11.455 8.459 4.586 1.00 22.24 C ATOM 680 OE1 GLU A 48 -10.672 8.634 5.536 1.00 34.31 O ATOM 681 OE2 GLU A 48 -12.690 8.349 4.747 1.00 73.11 O ATOM 0 H GLU A 48 -6.847 8.434 2.619 1.00 3.53 H new ATOM 0 HA GLU A 48 -9.130 7.296 1.446 1.00 61.25 H new ATOM 0 HB2 GLU A 48 -8.955 7.760 3.888 1.00 73.23 H new ATOM 0 HB3 GLU A 48 -9.091 9.476 3.561 1.00 73.23 H new ATOM 0 HG2 GLU A 48 -11.346 9.155 2.577 1.00 72.40 H new ATOM 0 HG3 GLU A 48 -11.207 7.416 2.746 1.00 72.40 H new ATOM 688 N SER A 49 -8.446 10.462 0.791 1.00 62.12 N ATOM 689 CA SER A 49 -8.814 11.581 -0.042 1.00 2.22 C ATOM 690 C SER A 49 -8.692 11.167 -1.496 1.00 51.01 C ATOM 691 O SER A 49 -9.571 11.465 -2.313 1.00 5.12 O ATOM 692 CB SER A 49 -7.923 12.803 0.202 1.00 60.43 C ATOM 693 OG SER A 49 -8.119 13.273 1.539 1.00 54.11 O ATOM 0 H SER A 49 -7.563 10.572 1.289 1.00 62.12 H new ATOM 0 HA SER A 49 -9.838 11.861 0.206 1.00 2.22 H new ATOM 0 HB2 SER A 49 -6.876 12.541 0.046 1.00 60.43 H new ATOM 0 HB3 SER A 49 -8.164 13.591 -0.512 1.00 60.43 H new ATOM 0 HG SER A 49 -7.670 14.137 1.651 1.00 54.11 H new ATOM 699 N ASP A 50 -7.605 10.435 -1.840 1.00 4.03 N ATOM 700 CA ASP A 50 -7.400 9.981 -3.225 1.00 52.35 C ATOM 701 C ASP A 50 -8.476 8.958 -3.539 1.00 72.11 C ATOM 702 O ASP A 50 -9.041 8.937 -4.622 1.00 5.54 O ATOM 703 CB ASP A 50 -6.013 9.330 -3.462 1.00 74.44 C ATOM 704 CG ASP A 50 -5.755 9.264 -4.961 1.00 0.23 C ATOM 705 OD1 ASP A 50 -5.768 10.339 -5.614 1.00 14.13 O ATOM 706 OD2 ASP A 50 -5.520 8.169 -5.487 1.00 33.31 O ATOM 0 H ASP A 50 -6.873 10.154 -1.187 1.00 4.03 H new ATOM 0 HA ASP A 50 -7.452 10.856 -3.873 1.00 52.35 H new ATOM 0 HB2 ASP A 50 -5.234 9.911 -2.970 1.00 74.44 H new ATOM 0 HB3 ASP A 50 -5.986 8.330 -3.029 1.00 74.44 H new ATOM 711 N GLY A 51 -8.814 8.134 -2.528 1.00 5.31 N ATOM 712 CA GLY A 51 -9.964 7.238 -2.589 1.00 63.14 C ATOM 713 C GLY A 51 -9.618 5.957 -3.271 1.00 22.02 C ATOM 714 O GLY A 51 -10.384 5.000 -3.229 1.00 10.33 O ATOM 0 H GLY A 51 -8.293 8.078 -1.653 1.00 5.31 H new ATOM 0 HA2 GLY A 51 -10.320 7.031 -1.580 1.00 63.14 H new ATOM 0 HA3 GLY A 51 -10.780 7.727 -3.121 1.00 63.14 H new ATOM 718 N ARG A 52 -8.483 5.914 -3.960 1.00 50.32 N ATOM 719 CA ARG A 52 -8.148 4.755 -4.752 1.00 12.13 C ATOM 720 C ARG A 52 -7.581 3.703 -3.857 1.00 61.01 C ATOM 721 O ARG A 52 -7.815 2.523 -4.065 1.00 33.12 O ATOM 722 CB ARG A 52 -7.153 5.067 -5.869 1.00 53.01 C ATOM 723 CG ARG A 52 -7.685 6.169 -6.793 1.00 21.52 C ATOM 724 CD ARG A 52 -6.718 6.564 -7.893 1.00 31.42 C ATOM 725 NE ARG A 52 -6.584 5.441 -8.867 1.00 54.13 N ATOM 726 CZ ARG A 52 -5.650 5.497 -9.872 1.00 43.21 C ATOM 727 NH1 ARG A 52 -4.755 6.544 -9.925 1.00 65.12 N ATOM 728 NH2 ARG A 52 -5.621 4.516 -10.808 1.00 54.43 N ATOM 0 H ARG A 52 -7.792 6.664 -3.981 1.00 50.32 H new ATOM 0 HA ARG A 52 -9.064 4.408 -5.230 1.00 12.13 H new ATOM 0 HB2 ARG A 52 -6.202 5.379 -5.436 1.00 53.01 H new ATOM 0 HB3 ARG A 52 -6.958 4.165 -6.449 1.00 53.01 H new ATOM 0 HG2 ARG A 52 -8.618 5.832 -7.245 1.00 21.52 H new ATOM 0 HG3 ARG A 52 -7.920 7.050 -6.195 1.00 21.52 H new ATOM 0 HD2 ARG A 52 -7.076 7.459 -8.401 1.00 31.42 H new ATOM 0 HD3 ARG A 52 -5.745 6.807 -7.466 1.00 31.42 H new ATOM 0 HE ARG A 52 -7.191 4.625 -8.785 1.00 54.13 H new ATOM 0 HH11 ARG A 52 -4.786 7.278 -9.217 1.00 65.12 H new ATOM 0 HH12 ARG A 52 -4.062 6.585 -10.672 1.00 65.12 H new ATOM 0 HH21 ARG A 52 -6.289 3.746 -10.761 1.00 54.43 H new ATOM 0 HH22 ARG A 52 -4.931 4.548 -11.559 1.00 54.43 H new ATOM 742 N ILE A 53 -6.833 4.111 -2.826 1.00 62.45 N ATOM 743 CA ILE A 53 -6.263 3.159 -1.904 1.00 70.21 C ATOM 744 C ILE A 53 -7.228 3.070 -0.741 1.00 62.03 C ATOM 745 O ILE A 53 -7.720 4.094 -0.248 1.00 31.13 O ATOM 746 CB ILE A 53 -4.884 3.572 -1.416 1.00 13.53 C ATOM 747 CG1 ILE A 53 -3.987 3.884 -2.642 1.00 54.14 C ATOM 748 CG2 ILE A 53 -4.305 2.460 -0.502 1.00 12.04 C ATOM 749 CD1 ILE A 53 -2.572 4.312 -2.283 1.00 22.12 C ATOM 0 H ILE A 53 -6.617 5.087 -2.621 1.00 62.45 H new ATOM 0 HA ILE A 53 -6.125 2.198 -2.400 1.00 70.21 H new ATOM 0 HB ILE A 53 -4.935 4.479 -0.814 1.00 13.53 H new ATOM 0 HG12 ILE A 53 -3.938 2.999 -3.277 1.00 54.14 H new ATOM 0 HG13 ILE A 53 -4.456 4.673 -3.230 1.00 54.14 H new ATOM 0 HG21 ILE A 53 -3.316 2.755 -0.152 1.00 12.04 H new ATOM 0 HG22 ILE A 53 -4.964 2.312 0.354 1.00 12.04 H new ATOM 0 HG23 ILE A 53 -4.228 1.530 -1.065 1.00 12.04 H new ATOM 0 HD11 ILE A 53 -2.010 4.512 -3.195 1.00 22.12 H new ATOM 0 HD12 ILE A 53 -2.609 5.215 -1.674 1.00 22.12 H new ATOM 0 HD13 ILE A 53 -2.082 3.516 -1.722 1.00 22.12 H new ATOM 761 N HIS A 54 -7.554 1.840 -0.319 1.00 11.52 N ATOM 762 CA HIS A 54 -8.476 1.623 0.763 1.00 51.44 C ATOM 763 C HIS A 54 -7.866 0.578 1.627 1.00 3.54 C ATOM 764 O HIS A 54 -6.808 0.018 1.322 1.00 52.42 O ATOM 765 CB HIS A 54 -9.850 1.073 0.293 1.00 52.23 C ATOM 766 CG HIS A 54 -10.784 2.150 -0.161 1.00 15.52 C ATOM 767 ND1 HIS A 54 -11.590 2.810 0.714 1.00 22.10 N ATOM 768 CD2 HIS A 54 -11.007 2.668 -1.384 1.00 42.35 C ATOM 769 CE1 HIS A 54 -12.300 3.703 0.037 1.00 22.55 C ATOM 770 NE2 HIS A 54 -11.958 3.634 -1.243 1.00 45.21 N ATOM 0 H HIS A 54 -7.179 0.984 -0.727 1.00 11.52 H new ATOM 0 HA HIS A 54 -8.651 2.576 1.262 1.00 51.44 H new ATOM 0 HB2 HIS A 54 -9.693 0.367 -0.523 1.00 52.23 H new ATOM 0 HB3 HIS A 54 -10.312 0.519 1.110 1.00 52.23 H new ATOM 0 HD2 HIS A 54 -10.523 2.373 -2.304 1.00 42.35 H new ATOM 0 HE1 HIS A 54 -13.034 4.374 0.458 1.00 22.55 H new ATOM 0 HE2 HIS A 54 -12.342 4.207 -1.994 1.00 45.21 H new ATOM 779 N LYS A 55 -8.535 0.299 2.761 1.00 73.15 N ATOM 780 CA LYS A 55 -8.118 -0.707 3.690 1.00 12.14 C ATOM 781 C LYS A 55 -8.234 -2.054 3.018 1.00 32.31 C ATOM 782 O LYS A 55 -9.260 -2.388 2.418 1.00 73.34 O ATOM 783 CB LYS A 55 -9.031 -0.714 4.962 1.00 71.53 C ATOM 784 CG LYS A 55 -8.881 -1.930 5.902 1.00 75.44 C ATOM 785 CD LYS A 55 -7.501 -2.076 6.543 1.00 32.04 C ATOM 786 CE LYS A 55 -7.331 -3.396 7.318 1.00 41.54 C ATOM 787 NZ LYS A 55 -8.256 -3.484 8.468 1.00 53.44 N ATOM 0 H LYS A 55 -9.387 0.785 3.039 1.00 73.15 H new ATOM 0 HA LYS A 55 -7.092 -0.498 3.994 1.00 12.14 H new ATOM 0 HB2 LYS A 55 -8.826 0.190 5.536 1.00 71.53 H new ATOM 0 HB3 LYS A 55 -10.070 -0.657 4.638 1.00 71.53 H new ATOM 0 HG2 LYS A 55 -9.628 -1.855 6.693 1.00 75.44 H new ATOM 0 HG3 LYS A 55 -9.103 -2.837 5.339 1.00 75.44 H new ATOM 0 HD2 LYS A 55 -6.738 -2.017 5.767 1.00 32.04 H new ATOM 0 HD3 LYS A 55 -7.332 -1.239 7.221 1.00 32.04 H new ATOM 0 HE2 LYS A 55 -7.506 -4.236 6.646 1.00 41.54 H new ATOM 0 HE3 LYS A 55 -6.303 -3.479 7.672 1.00 41.54 H new ATOM 0 HZ1 LYS A 55 -8.098 -4.379 8.973 1.00 53.44 H new ATOM 0 HZ2 LYS A 55 -8.084 -2.687 9.114 1.00 53.44 H new ATOM 0 HZ3 LYS A 55 -9.238 -3.447 8.127 1.00 53.44 H new ATOM 801 N GLY A 56 -7.173 -2.863 3.143 1.00 34.55 N ATOM 802 CA GLY A 56 -7.225 -4.239 2.726 1.00 52.53 C ATOM 803 C GLY A 56 -6.609 -4.362 1.381 1.00 2.30 C ATOM 804 O GLY A 56 -6.356 -5.460 0.934 1.00 5.04 O ATOM 0 H GLY A 56 -6.276 -2.572 3.532 1.00 34.55 H new ATOM 0 HA2 GLY A 56 -6.696 -4.869 3.441 1.00 52.53 H new ATOM 0 HA3 GLY A 56 -8.258 -4.585 2.700 1.00 52.53 H new ATOM 808 N ASP A 57 -6.353 -3.225 0.686 1.00 41.52 N ATOM 809 CA ASP A 57 -5.732 -3.279 -0.646 1.00 12.31 C ATOM 810 C ASP A 57 -4.339 -3.813 -0.454 1.00 24.51 C ATOM 811 O ASP A 57 -3.760 -3.669 0.617 1.00 64.33 O ATOM 812 CB ASP A 57 -5.626 -1.897 -1.349 1.00 41.21 C ATOM 813 CG ASP A 57 -6.965 -1.559 -2.010 1.00 31.41 C ATOM 814 OD1 ASP A 57 -7.473 -2.356 -2.857 1.00 10.31 O ATOM 815 OD2 ASP A 57 -7.514 -0.494 -1.706 1.00 64.04 O ATOM 0 H ASP A 57 -6.564 -2.285 1.022 1.00 41.52 H new ATOM 0 HA ASP A 57 -6.358 -3.904 -1.282 1.00 12.31 H new ATOM 0 HB2 ASP A 57 -5.361 -1.127 -0.624 1.00 41.21 H new ATOM 0 HB3 ASP A 57 -4.833 -1.917 -2.097 1.00 41.21 H new ATOM 820 N ARG A 58 -3.791 -4.503 -1.471 1.00 43.33 N ATOM 821 CA ARG A 58 -2.522 -5.174 -1.305 1.00 65.04 C ATOM 822 C ARG A 58 -1.530 -4.402 -2.118 1.00 24.23 C ATOM 823 O ARG A 58 -1.764 -4.151 -3.265 1.00 32.31 O ATOM 824 CB ARG A 58 -2.576 -6.657 -1.801 1.00 71.54 C ATOM 825 CG ARG A 58 -1.446 -7.557 -1.275 1.00 24.34 C ATOM 826 CD ARG A 58 -0.130 -7.445 -2.045 1.00 53.43 C ATOM 827 NE ARG A 58 -0.294 -8.108 -3.381 1.00 25.30 N ATOM 828 CZ ARG A 58 0.802 -8.519 -4.112 1.00 1.24 C ATOM 829 NH1 ARG A 58 2.071 -8.247 -3.680 1.00 51.20 N ATOM 830 NH2 ARG A 58 0.611 -9.196 -5.258 1.00 63.44 N ATOM 0 H ARG A 58 -4.211 -4.601 -2.395 1.00 43.33 H new ATOM 0 HA ARG A 58 -2.251 -5.209 -0.250 1.00 65.04 H new ATOM 0 HB2 ARG A 58 -3.532 -7.089 -1.506 1.00 71.54 H new ATOM 0 HB3 ARG A 58 -2.547 -6.662 -2.891 1.00 71.54 H new ATOM 0 HG2 ARG A 58 -1.261 -7.312 -0.229 1.00 24.34 H new ATOM 0 HG3 ARG A 58 -1.782 -8.594 -1.305 1.00 24.34 H new ATOM 0 HD2 ARG A 58 0.144 -6.398 -2.174 1.00 53.43 H new ATOM 0 HD3 ARG A 58 0.676 -7.918 -1.485 1.00 53.43 H new ATOM 0 HE ARG A 58 -1.231 -8.257 -3.755 1.00 25.30 H new ATOM 0 HH11 ARG A 58 2.215 -7.735 -2.809 1.00 51.20 H new ATOM 0 HH12 ARG A 58 2.874 -8.556 -4.229 1.00 51.20 H new ATOM 0 HH21 ARG A 58 -0.336 -9.400 -5.578 1.00 63.44 H new ATOM 0 HH22 ARG A 58 1.413 -9.505 -5.807 1.00 63.44 H new ATOM 844 N VAL A 59 -0.396 -3.989 -1.514 1.00 51.33 N ATOM 845 CA VAL A 59 0.593 -3.201 -2.220 1.00 23.50 C ATOM 846 C VAL A 59 1.649 -4.173 -2.688 1.00 42.33 C ATOM 847 O VAL A 59 2.023 -5.098 -1.960 1.00 65.14 O ATOM 848 CB VAL A 59 1.272 -2.143 -1.336 1.00 10.44 C ATOM 849 CG1 VAL A 59 2.046 -1.139 -2.239 1.00 42.24 C ATOM 850 CG2 VAL A 59 0.194 -1.457 -0.465 1.00 32.04 C ATOM 0 H VAL A 59 -0.158 -4.195 -0.544 1.00 51.33 H new ATOM 0 HA VAL A 59 0.100 -2.664 -3.030 1.00 23.50 H new ATOM 0 HB VAL A 59 2.000 -2.597 -0.664 1.00 10.44 H new ATOM 0 HG11 VAL A 59 2.529 -0.387 -1.616 1.00 42.24 H new ATOM 0 HG12 VAL A 59 2.802 -1.674 -2.813 1.00 42.24 H new ATOM 0 HG13 VAL A 59 1.350 -0.652 -2.921 1.00 42.24 H new ATOM 0 HG21 VAL A 59 0.663 -0.703 0.168 1.00 32.04 H new ATOM 0 HG22 VAL A 59 -0.545 -0.981 -1.109 1.00 32.04 H new ATOM 0 HG23 VAL A 59 -0.296 -2.202 0.161 1.00 32.04 H new ATOM 860 N LEU A 60 2.140 -4.007 -3.918 1.00 10.24 N ATOM 861 CA LEU A 60 3.214 -4.859 -4.390 1.00 72.35 C ATOM 862 C LEU A 60 4.448 -4.017 -4.489 1.00 71.04 C ATOM 863 O LEU A 60 5.505 -4.392 -3.967 1.00 64.10 O ATOM 864 CB LEU A 60 2.974 -5.570 -5.768 1.00 63.15 C ATOM 865 CG LEU A 60 2.247 -4.747 -6.842 1.00 34.33 C ATOM 866 CD1 LEU A 60 2.669 -5.148 -8.248 1.00 13.22 C ATOM 867 CD2 LEU A 60 0.738 -4.815 -6.689 1.00 10.32 C ATOM 0 H LEU A 60 1.816 -3.307 -4.585 1.00 10.24 H new ATOM 0 HA LEU A 60 3.295 -5.672 -3.668 1.00 72.35 H new ATOM 0 HB2 LEU A 60 3.941 -5.876 -6.168 1.00 63.15 H new ATOM 0 HB3 LEU A 60 2.401 -6.480 -5.588 1.00 63.15 H new ATOM 0 HG LEU A 60 2.546 -3.710 -6.690 1.00 34.33 H new ATOM 0 HD11 LEU A 60 2.131 -4.541 -8.976 1.00 13.22 H new ATOM 0 HD12 LEU A 60 3.741 -4.990 -8.365 1.00 13.22 H new ATOM 0 HD13 LEU A 60 2.438 -6.201 -8.411 1.00 13.22 H new ATOM 0 HD21 LEU A 60 0.266 -4.218 -7.470 1.00 10.32 H new ATOM 0 HD22 LEU A 60 0.410 -5.851 -6.775 1.00 10.32 H new ATOM 0 HD23 LEU A 60 0.453 -4.425 -5.712 1.00 10.32 H new ATOM 879 N ALA A 61 4.354 -2.873 -5.188 1.00 64.23 N ATOM 880 CA ALA A 61 5.542 -2.116 -5.470 1.00 44.45 C ATOM 881 C ALA A 61 5.337 -0.690 -5.129 1.00 21.15 C ATOM 882 O ALA A 61 4.216 -0.218 -4.928 1.00 43.40 O ATOM 883 CB ALA A 61 5.984 -2.190 -6.938 1.00 41.21 C ATOM 0 H ALA A 61 3.486 -2.477 -5.550 1.00 64.23 H new ATOM 0 HA ALA A 61 6.325 -2.564 -4.858 1.00 44.45 H new ATOM 0 HB1 ALA A 61 6.887 -1.595 -7.077 1.00 41.21 H new ATOM 0 HB2 ALA A 61 6.188 -3.227 -7.205 1.00 41.21 H new ATOM 0 HB3 ALA A 61 5.191 -1.801 -7.577 1.00 41.21 H new ATOM 889 N VAL A 62 6.480 0.007 -5.074 1.00 44.23 N ATOM 890 CA VAL A 62 6.551 1.399 -4.760 1.00 70.23 C ATOM 891 C VAL A 62 7.610 1.926 -5.668 1.00 61.00 C ATOM 892 O VAL A 62 8.774 1.635 -5.488 1.00 33.20 O ATOM 893 CB VAL A 62 6.966 1.687 -3.318 1.00 50.52 C ATOM 894 CG1 VAL A 62 7.038 3.216 -3.097 1.00 71.21 C ATOM 895 CG2 VAL A 62 5.953 1.007 -2.391 1.00 73.24 C ATOM 0 H VAL A 62 7.392 -0.413 -5.255 1.00 44.23 H new ATOM 0 HA VAL A 62 5.568 1.855 -4.881 1.00 70.23 H new ATOM 0 HB VAL A 62 7.957 1.289 -3.099 1.00 50.52 H new ATOM 0 HG11 VAL A 62 7.334 3.421 -2.068 1.00 71.21 H new ATOM 0 HG12 VAL A 62 7.771 3.648 -3.779 1.00 71.21 H new ATOM 0 HG13 VAL A 62 6.060 3.658 -3.288 1.00 71.21 H new ATOM 0 HG21 VAL A 62 6.225 1.197 -1.353 1.00 73.24 H new ATOM 0 HG22 VAL A 62 4.958 1.407 -2.584 1.00 73.24 H new ATOM 0 HG23 VAL A 62 5.954 -0.067 -2.576 1.00 73.24 H new ATOM 905 N ASN A 63 7.208 2.707 -6.671 1.00 34.42 N ATOM 906 CA ASN A 63 8.129 3.302 -7.651 1.00 25.44 C ATOM 907 C ASN A 63 8.969 2.209 -8.302 1.00 24.44 C ATOM 908 O ASN A 63 10.155 2.389 -8.562 1.00 40.24 O ATOM 909 CB ASN A 63 9.068 4.378 -7.030 1.00 74.54 C ATOM 910 CG ASN A 63 9.756 5.194 -8.134 1.00 40.21 C ATOM 911 OD1 ASN A 63 9.384 5.130 -9.314 1.00 1.02 O ATOM 912 ND2 ASN A 63 10.778 5.984 -7.748 1.00 10.21 N ATOM 0 H ASN A 63 6.230 2.948 -6.831 1.00 34.42 H new ATOM 0 HA ASN A 63 7.513 3.805 -8.396 1.00 25.44 H new ATOM 0 HB2 ASN A 63 8.493 5.042 -6.384 1.00 74.54 H new ATOM 0 HB3 ASN A 63 9.819 3.896 -6.404 1.00 74.54 H new ATOM 0 HD21 ASN A 63 11.271 6.553 -8.436 1.00 10.21 H new ATOM 0 HD22 ASN A 63 11.058 6.013 -6.768 1.00 10.21 H new ATOM 919 N GLY A 64 8.360 1.040 -8.573 1.00 55.10 N ATOM 920 CA GLY A 64 9.059 -0.016 -9.278 1.00 23.32 C ATOM 921 C GLY A 64 9.984 -0.731 -8.326 1.00 1.42 C ATOM 922 O GLY A 64 10.885 -1.444 -8.762 1.00 63.21 O ATOM 0 H GLY A 64 7.399 0.818 -8.313 1.00 55.10 H new ATOM 0 HA2 GLY A 64 8.343 -0.719 -9.703 1.00 23.32 H new ATOM 0 HA3 GLY A 64 9.627 0.402 -10.109 1.00 23.32 H new ATOM 926 N VAL A 65 9.787 -0.559 -7.003 1.00 33.22 N ATOM 927 CA VAL A 65 10.594 -1.245 -6.042 1.00 4.01 C ATOM 928 C VAL A 65 9.697 -2.272 -5.459 1.00 24.00 C ATOM 929 O VAL A 65 8.640 -1.952 -4.919 1.00 54.20 O ATOM 930 CB VAL A 65 11.118 -0.347 -4.923 1.00 25.52 C ATOM 931 CG1 VAL A 65 11.910 -1.202 -3.901 1.00 75.21 C ATOM 932 CG2 VAL A 65 11.972 0.772 -5.570 1.00 10.43 C ATOM 0 H VAL A 65 9.074 0.051 -6.603 1.00 33.22 H new ATOM 0 HA VAL A 65 11.482 -1.648 -6.530 1.00 4.01 H new ATOM 0 HB VAL A 65 10.306 0.124 -4.369 1.00 25.52 H new ATOM 0 HG11 VAL A 65 12.284 -0.561 -3.103 1.00 75.21 H new ATOM 0 HG12 VAL A 65 11.255 -1.963 -3.478 1.00 75.21 H new ATOM 0 HG13 VAL A 65 12.749 -1.684 -4.403 1.00 75.21 H new ATOM 0 HG21 VAL A 65 12.360 1.430 -4.792 1.00 10.43 H new ATOM 0 HG22 VAL A 65 12.803 0.326 -6.116 1.00 10.43 H new ATOM 0 HG23 VAL A 65 11.354 1.349 -6.258 1.00 10.43 H new ATOM 942 N SER A 66 10.082 -3.536 -5.608 1.00 4.22 N ATOM 943 CA SER A 66 9.315 -4.618 -5.073 1.00 31.40 C ATOM 944 C SER A 66 9.468 -4.607 -3.583 1.00 22.21 C ATOM 945 O SER A 66 10.545 -4.857 -3.049 1.00 35.34 O ATOM 946 CB SER A 66 9.741 -6.004 -5.608 1.00 54.43 C ATOM 947 OG SER A 66 9.663 -6.029 -7.047 1.00 61.52 O ATOM 0 H SER A 66 10.929 -3.821 -6.101 1.00 4.22 H new ATOM 0 HA SER A 66 8.281 -4.468 -5.383 1.00 31.40 H new ATOM 0 HB2 SER A 66 10.759 -6.228 -5.288 1.00 54.43 H new ATOM 0 HB3 SER A 66 9.097 -6.777 -5.188 1.00 54.43 H new ATOM 0 HG SER A 66 9.937 -6.911 -7.374 1.00 61.52 H new ATOM 953 N LEU A 67 8.357 -4.315 -2.898 1.00 64.42 N ATOM 954 CA LEU A 67 8.299 -4.376 -1.450 1.00 72.54 C ATOM 955 C LEU A 67 8.293 -5.828 -1.056 1.00 43.31 C ATOM 956 O LEU A 67 8.736 -6.180 0.014 1.00 10.52 O ATOM 957 CB LEU A 67 6.989 -3.796 -0.888 1.00 2.22 C ATOM 958 CG LEU A 67 6.778 -2.305 -1.081 1.00 44.11 C ATOM 959 CD1 LEU A 67 5.440 -1.849 -0.457 1.00 73.42 C ATOM 960 CD2 LEU A 67 7.958 -1.497 -0.580 1.00 62.42 C ATOM 0 H LEU A 67 7.481 -4.032 -3.338 1.00 64.42 H new ATOM 0 HA LEU A 67 9.146 -3.809 -1.064 1.00 72.54 H new ATOM 0 HB2 LEU A 67 6.155 -4.323 -1.351 1.00 2.22 H new ATOM 0 HB3 LEU A 67 6.949 -4.012 0.180 1.00 2.22 H new ATOM 0 HG LEU A 67 6.714 -2.114 -2.152 1.00 44.11 H new ATOM 0 HD11 LEU A 67 5.314 -0.777 -0.610 1.00 73.42 H new ATOM 0 HD12 LEU A 67 4.617 -2.382 -0.932 1.00 73.42 H new ATOM 0 HD13 LEU A 67 5.444 -2.065 0.611 1.00 73.42 H new ATOM 0 HD21 LEU A 67 7.765 -0.436 -0.737 1.00 62.42 H new ATOM 0 HD22 LEU A 67 8.103 -1.686 0.484 1.00 62.42 H new ATOM 0 HD23 LEU A 67 8.856 -1.787 -1.126 1.00 62.42 H new ATOM 972 N GLU A 68 7.750 -6.694 -1.946 1.00 34.22 N ATOM 973 CA GLU A 68 7.585 -8.118 -1.665 1.00 73.43 C ATOM 974 C GLU A 68 8.902 -8.727 -1.200 1.00 14.24 C ATOM 975 O GLU A 68 9.982 -8.306 -1.629 1.00 62.23 O ATOM 976 CB GLU A 68 7.042 -8.925 -2.864 1.00 25.22 C ATOM 977 CG GLU A 68 5.773 -8.293 -3.476 1.00 2.53 C ATOM 978 CD GLU A 68 5.225 -9.206 -4.550 1.00 44.52 C ATOM 979 OE1 GLU A 68 5.783 -10.305 -4.765 1.00 11.00 O ATOM 980 OE2 GLU A 68 4.209 -8.852 -5.166 1.00 62.10 O ATOM 0 H GLU A 68 7.420 -6.415 -2.870 1.00 34.22 H new ATOM 0 HA GLU A 68 6.839 -8.181 -0.873 1.00 73.43 H new ATOM 0 HB2 GLU A 68 7.814 -8.996 -3.630 1.00 25.22 H new ATOM 0 HB3 GLU A 68 6.818 -9.942 -2.542 1.00 25.22 H new ATOM 0 HG2 GLU A 68 5.023 -8.134 -2.701 1.00 2.53 H new ATOM 0 HG3 GLU A 68 6.007 -7.316 -3.899 1.00 2.53 H new ATOM 987 N GLY A 69 8.812 -9.704 -0.267 1.00 2.11 N ATOM 988 CA GLY A 69 10.000 -10.341 0.304 1.00 13.14 C ATOM 989 C GLY A 69 10.442 -9.599 1.534 1.00 22.23 C ATOM 990 O GLY A 69 10.956 -10.211 2.487 1.00 54.31 O ATOM 0 H GLY A 69 7.929 -10.060 0.098 1.00 2.11 H new ATOM 0 HA2 GLY A 69 9.781 -11.379 0.555 1.00 13.14 H new ATOM 0 HA3 GLY A 69 10.804 -10.354 -0.431 1.00 13.14 H new ATOM 994 N ALA A 70 10.308 -8.255 1.522 1.00 53.34 N ATOM 995 CA ALA A 70 10.796 -7.433 2.617 1.00 31.25 C ATOM 996 C ALA A 70 9.957 -7.659 3.843 1.00 55.34 C ATOM 997 O ALA A 70 8.957 -8.376 3.830 1.00 32.34 O ATOM 998 CB ALA A 70 10.805 -5.923 2.324 1.00 74.02 C ATOM 0 H ALA A 70 9.867 -7.732 0.765 1.00 53.34 H new ATOM 0 HA ALA A 70 11.830 -7.743 2.766 1.00 31.25 H new ATOM 0 HB1 ALA A 70 11.183 -5.386 3.194 1.00 74.02 H new ATOM 0 HB2 ALA A 70 11.447 -5.723 1.466 1.00 74.02 H new ATOM 0 HB3 ALA A 70 9.791 -5.589 2.104 1.00 74.02 H new ATOM 1004 N THR A 71 10.396 -7.050 4.948 1.00 71.13 N ATOM 1005 CA THR A 71 9.729 -7.187 6.191 1.00 54.15 C ATOM 1006 C THR A 71 8.558 -6.236 6.198 1.00 4.01 C ATOM 1007 O THR A 71 8.493 -5.284 5.417 1.00 42.32 O ATOM 1008 CB THR A 71 10.641 -6.906 7.374 1.00 50.44 C ATOM 1009 OG1 THR A 71 11.376 -5.697 7.154 1.00 24.45 O ATOM 1010 CG2 THR A 71 11.632 -8.081 7.484 1.00 21.41 C ATOM 0 H THR A 71 11.224 -6.455 4.979 1.00 71.13 H new ATOM 0 HA THR A 71 9.396 -8.219 6.297 1.00 54.15 H new ATOM 0 HB THR A 71 10.052 -6.797 8.285 1.00 50.44 H new ATOM 0 HG1 THR A 71 11.959 -5.524 7.922 1.00 24.45 H new ATOM 0 HG21 THR A 71 12.304 -7.912 8.325 1.00 21.41 H new ATOM 0 HG22 THR A 71 11.081 -9.008 7.640 1.00 21.41 H new ATOM 0 HG23 THR A 71 12.213 -8.154 6.565 1.00 21.41 H new ATOM 1018 N HIS A 72 7.597 -6.509 7.095 1.00 35.31 N ATOM 1019 CA HIS A 72 6.395 -5.717 7.189 1.00 75.20 C ATOM 1020 C HIS A 72 6.767 -4.327 7.608 1.00 1.22 C ATOM 1021 O HIS A 72 6.206 -3.365 7.111 1.00 64.40 O ATOM 1022 CB HIS A 72 5.329 -6.292 8.153 1.00 35.02 C ATOM 1023 CG HIS A 72 5.793 -6.558 9.566 1.00 25.42 C ATOM 1024 ND1 HIS A 72 5.846 -5.591 10.530 1.00 35.25 N ATOM 1025 CD2 HIS A 72 6.167 -7.712 10.145 1.00 1.40 C ATOM 1026 CE1 HIS A 72 6.251 -6.153 11.661 1.00 11.03 C ATOM 1027 NE2 HIS A 72 6.450 -7.441 11.444 1.00 73.23 N ATOM 0 H HIS A 72 7.645 -7.280 7.762 1.00 35.31 H new ATOM 0 HA HIS A 72 5.932 -5.725 6.202 1.00 75.20 H new ATOM 0 HB2 HIS A 72 4.489 -5.598 8.191 1.00 35.02 H new ATOM 0 HB3 HIS A 72 4.952 -7.225 7.733 1.00 35.02 H new ATOM 0 HD2 HIS A 72 6.231 -8.677 9.665 1.00 1.40 H new ATOM 0 HE1 HIS A 72 6.394 -5.643 12.602 1.00 11.03 H new ATOM 0 HE2 HIS A 72 6.764 -8.119 12.138 1.00 73.23 H new ATOM 1036 N LYS A 73 7.759 -4.188 8.532 1.00 15.11 N ATOM 1037 CA LYS A 73 8.205 -2.866 8.941 1.00 45.14 C ATOM 1038 C LYS A 73 8.748 -2.121 7.746 1.00 0.21 C ATOM 1039 O LYS A 73 8.459 -0.954 7.585 1.00 34.20 O ATOM 1040 CB LYS A 73 9.271 -2.849 10.075 1.00 51.20 C ATOM 1041 CG LYS A 73 10.590 -3.569 9.750 1.00 22.22 C ATOM 1042 CD LYS A 73 11.664 -3.342 10.806 1.00 51.43 C ATOM 1043 CE LYS A 73 13.011 -3.980 10.441 1.00 22.53 C ATOM 1044 NZ LYS A 73 14.038 -3.621 11.430 1.00 63.43 N ATOM 0 H LYS A 73 8.241 -4.965 8.985 1.00 15.11 H new ATOM 0 HA LYS A 73 7.321 -2.381 9.354 1.00 45.14 H new ATOM 0 HB2 LYS A 73 9.495 -1.812 10.325 1.00 51.20 H new ATOM 0 HB3 LYS A 73 8.837 -3.305 10.965 1.00 51.20 H new ATOM 0 HG2 LYS A 73 10.401 -4.638 9.655 1.00 22.22 H new ATOM 0 HG3 LYS A 73 10.958 -3.224 8.784 1.00 22.22 H new ATOM 0 HD2 LYS A 73 11.803 -2.271 10.950 1.00 51.43 H new ATOM 0 HD3 LYS A 73 11.322 -3.749 11.757 1.00 51.43 H new ATOM 0 HE2 LYS A 73 12.906 -5.064 10.395 1.00 22.53 H new ATOM 0 HE3 LYS A 73 13.320 -3.648 9.450 1.00 22.53 H new ATOM 0 HZ1 LYS A 73 14.943 -4.062 11.167 1.00 63.43 H new ATOM 0 HZ2 LYS A 73 14.150 -2.587 11.454 1.00 63.43 H new ATOM 0 HZ3 LYS A 73 13.749 -3.960 12.370 1.00 63.43 H new ATOM 1058 N GLN A 74 9.538 -2.801 6.859 1.00 54.45 N ATOM 1059 CA GLN A 74 10.246 -2.137 5.771 1.00 73.52 C ATOM 1060 C GLN A 74 9.236 -1.541 4.840 1.00 20.44 C ATOM 1061 O GLN A 74 9.404 -0.423 4.364 1.00 11.13 O ATOM 1062 CB GLN A 74 11.135 -3.146 4.984 1.00 72.30 C ATOM 1063 CG GLN A 74 12.293 -2.534 4.171 1.00 13.31 C ATOM 1064 CD GLN A 74 11.793 -2.009 2.837 1.00 23.31 C ATOM 1065 OE1 GLN A 74 10.807 -2.492 2.283 1.00 71.51 O ATOM 1066 NE2 GLN A 74 12.494 -1.012 2.291 1.00 3.35 N ATOM 0 H GLN A 74 9.686 -3.810 6.896 1.00 54.45 H new ATOM 0 HA GLN A 74 10.892 -1.365 6.188 1.00 73.52 H new ATOM 0 HB2 GLN A 74 11.553 -3.861 5.693 1.00 72.30 H new ATOM 0 HB3 GLN A 74 10.496 -3.708 4.303 1.00 72.30 H new ATOM 0 HG2 GLN A 74 12.753 -1.724 4.737 1.00 13.31 H new ATOM 0 HG3 GLN A 74 13.065 -3.286 4.006 1.00 13.31 H new ATOM 0 HE21 GLN A 74 13.307 -0.634 2.777 1.00 3.35 H new ATOM 0 HE22 GLN A 74 12.216 -0.628 1.388 1.00 3.35 H new ATOM 1075 N ALA A 75 8.122 -2.275 4.610 1.00 22.31 N ATOM 1076 CA ALA A 75 7.042 -1.802 3.766 1.00 74.34 C ATOM 1077 C ALA A 75 6.540 -0.455 4.270 1.00 33.43 C ATOM 1078 O ALA A 75 6.235 0.438 3.483 1.00 32.11 O ATOM 1079 CB ALA A 75 5.862 -2.772 3.765 1.00 31.43 C ATOM 0 H ALA A 75 7.964 -3.201 5.008 1.00 22.31 H new ATOM 0 HA ALA A 75 7.438 -1.717 2.754 1.00 74.34 H new ATOM 0 HB1 ALA A 75 5.072 -2.384 3.122 1.00 31.43 H new ATOM 0 HB2 ALA A 75 6.189 -3.743 3.392 1.00 31.43 H new ATOM 0 HB3 ALA A 75 5.481 -2.883 4.780 1.00 31.43 H new ATOM 1085 N VAL A 76 6.466 -0.286 5.610 1.00 50.14 N ATOM 1086 CA VAL A 76 5.945 0.938 6.189 1.00 13.11 C ATOM 1087 C VAL A 76 6.999 2.011 6.012 1.00 11.01 C ATOM 1088 O VAL A 76 6.716 3.098 5.504 1.00 2.44 O ATOM 1089 CB VAL A 76 5.640 0.821 7.683 1.00 53.30 C ATOM 1090 CG1 VAL A 76 4.990 2.130 8.154 1.00 34.24 C ATOM 1091 CG2 VAL A 76 4.733 -0.393 7.923 1.00 65.01 C ATOM 0 H VAL A 76 6.762 -0.985 6.292 1.00 50.14 H new ATOM 0 HA VAL A 76 5.007 1.170 5.684 1.00 13.11 H new ATOM 0 HB VAL A 76 6.553 0.667 8.258 1.00 53.30 H new ATOM 0 HG11 VAL A 76 4.766 2.063 9.219 1.00 34.24 H new ATOM 0 HG12 VAL A 76 5.675 2.960 7.979 1.00 34.24 H new ATOM 0 HG13 VAL A 76 4.067 2.298 7.599 1.00 34.24 H new ATOM 0 HG21 VAL A 76 4.514 -0.479 8.987 1.00 65.01 H new ATOM 0 HG22 VAL A 76 3.802 -0.267 7.370 1.00 65.01 H new ATOM 0 HG23 VAL A 76 5.238 -1.297 7.582 1.00 65.01 H new ATOM 1101 N CYS A 77 8.250 1.705 6.492 1.00 52.43 N ATOM 1102 CA CYS A 77 9.360 2.734 6.539 1.00 41.32 C ATOM 1103 C CYS A 77 9.525 3.330 5.130 1.00 4.43 C ATOM 1104 O CYS A 77 10.123 4.361 4.935 1.00 21.53 O ATOM 1105 CB CYS A 77 10.705 2.107 6.972 1.00 44.44 C ATOM 1106 SG CYS A 77 10.491 1.059 8.449 1.00 43.24 S ATOM 0 H CYS A 77 8.515 0.785 6.843 1.00 52.43 H new ATOM 0 HA CYS A 77 9.093 3.498 7.269 1.00 41.32 H new ATOM 0 HB2 CYS A 77 11.113 1.512 6.155 1.00 44.44 H new ATOM 0 HB3 CYS A 77 11.427 2.896 7.183 1.00 44.44 H new ATOM 1111 N THR A 78 9.179 2.502 4.120 1.00 55.34 N ATOM 1112 CA THR A 78 9.357 2.860 2.731 1.00 74.31 C ATOM 1113 C THR A 78 8.409 3.983 2.416 1.00 43.12 C ATOM 1114 O THR A 78 8.828 5.019 1.942 1.00 12.41 O ATOM 1115 CB THR A 78 9.131 1.706 1.768 1.00 4.34 C ATOM 1116 OG1 THR A 78 10.089 0.695 2.039 1.00 70.21 O ATOM 1117 CG2 THR A 78 9.329 2.203 0.307 1.00 71.35 C ATOM 0 H THR A 78 8.773 1.577 4.263 1.00 55.34 H new ATOM 0 HA THR A 78 10.396 3.159 2.595 1.00 74.31 H new ATOM 0 HB THR A 78 8.120 1.317 1.890 1.00 4.34 H new ATOM 0 HG1 THR A 78 9.821 0.196 2.838 1.00 70.21 H new ATOM 0 HG21 THR A 78 9.167 1.376 -0.384 1.00 71.35 H new ATOM 0 HG22 THR A 78 8.616 2.999 0.094 1.00 71.35 H new ATOM 0 HG23 THR A 78 10.343 2.583 0.186 1.00 71.35 H new ATOM 1125 N LEU A 79 7.097 3.798 2.700 1.00 31.12 N ATOM 1126 CA LEU A 79 6.092 4.802 2.354 1.00 30.34 C ATOM 1127 C LEU A 79 6.452 6.119 3.022 1.00 35.10 C ATOM 1128 O LEU A 79 6.633 7.113 2.363 1.00 11.35 O ATOM 1129 CB LEU A 79 4.661 4.393 2.785 1.00 30.14 C ATOM 1130 CG LEU A 79 4.197 3.044 2.169 1.00 52.12 C ATOM 1131 CD1 LEU A 79 2.846 2.576 2.733 1.00 43.42 C ATOM 1132 CD2 LEU A 79 4.218 3.039 0.621 1.00 14.44 C ATOM 0 H LEU A 79 6.724 2.969 3.163 1.00 31.12 H new ATOM 0 HA LEU A 79 6.091 4.898 1.268 1.00 30.34 H new ATOM 0 HB2 LEU A 79 4.623 4.321 3.872 1.00 30.14 H new ATOM 0 HB3 LEU A 79 3.963 5.177 2.493 1.00 30.14 H new ATOM 0 HG LEU A 79 4.940 2.309 2.479 1.00 52.12 H new ATOM 0 HD11 LEU A 79 2.567 1.629 2.270 1.00 43.42 H new ATOM 0 HD12 LEU A 79 2.929 2.442 3.812 1.00 43.42 H new ATOM 0 HD13 LEU A 79 2.083 3.324 2.518 1.00 43.42 H new ATOM 0 HD21 LEU A 79 3.883 2.068 0.256 1.00 14.44 H new ATOM 0 HD22 LEU A 79 3.553 3.817 0.246 1.00 14.44 H new ATOM 0 HD23 LEU A 79 5.233 3.228 0.270 1.00 14.44 H new ATOM 1144 N ARG A 80 6.590 6.116 4.347 1.00 32.54 N ATOM 1145 CA ARG A 80 7.051 7.313 5.101 1.00 31.21 C ATOM 1146 C ARG A 80 8.372 7.928 4.544 1.00 73.44 C ATOM 1147 O ARG A 80 8.705 9.063 4.874 1.00 25.11 O ATOM 1148 CB ARG A 80 7.244 7.047 6.604 1.00 34.20 C ATOM 1149 CG ARG A 80 6.021 6.374 7.271 1.00 65.34 C ATOM 1150 CD ARG A 80 6.112 6.321 8.806 1.00 21.30 C ATOM 1151 NE ARG A 80 7.494 5.842 9.159 1.00 52.44 N ATOM 1152 CZ ARG A 80 7.756 4.664 9.809 1.00 51.43 C ATOM 1153 NH1 ARG A 80 6.746 3.845 10.245 1.00 13.32 N ATOM 1154 NH2 ARG A 80 9.053 4.317 10.013 1.00 24.53 N ATOM 0 H ARG A 80 6.393 5.305 4.933 1.00 32.54 H new ATOM 0 HA ARG A 80 6.239 8.027 4.962 1.00 31.21 H new ATOM 0 HB2 ARG A 80 8.119 6.413 6.744 1.00 34.20 H new ATOM 0 HB3 ARG A 80 7.450 7.991 7.109 1.00 34.20 H new ATOM 0 HG2 ARG A 80 5.118 6.915 6.987 1.00 65.34 H new ATOM 0 HG3 ARG A 80 5.919 5.360 6.886 1.00 65.34 H new ATOM 0 HD2 ARG A 80 5.926 7.305 9.236 1.00 21.30 H new ATOM 0 HD3 ARG A 80 5.357 5.648 9.212 1.00 21.30 H new ATOM 0 HE ARG A 80 8.285 6.431 8.898 1.00 52.44 H new ATOM 0 HH11 ARG A 80 5.773 4.107 10.088 1.00 13.32 H new ATOM 0 HH12 ARG A 80 6.968 2.973 10.726 1.00 13.32 H new ATOM 0 HH21 ARG A 80 9.802 4.927 9.685 1.00 24.53 H new ATOM 0 HH22 ARG A 80 9.278 3.446 10.494 1.00 24.53 H new ATOM 1168 N ASN A 81 9.141 7.191 3.707 1.00 60.44 N ATOM 1169 CA ASN A 81 10.421 7.702 3.185 1.00 20.15 C ATOM 1170 C ASN A 81 10.193 8.229 1.769 1.00 52.24 C ATOM 1171 O ASN A 81 11.114 8.745 1.132 1.00 41.41 O ATOM 1172 CB ASN A 81 11.501 6.582 3.104 1.00 15.21 C ATOM 1173 CG ASN A 81 12.875 7.193 2.829 1.00 74.02 C ATOM 1174 OD1 ASN A 81 13.323 8.088 3.550 1.00 32.42 O ATOM 1175 ND2 ASN A 81 13.568 6.708 1.791 1.00 11.31 N ATOM 0 H ASN A 81 8.898 6.254 3.385 1.00 60.44 H new ATOM 0 HA ASN A 81 10.772 8.482 3.861 1.00 20.15 H new ATOM 0 HB2 ASN A 81 11.525 6.021 4.038 1.00 15.21 H new ATOM 0 HB3 ASN A 81 11.244 5.876 2.315 1.00 15.21 H new ATOM 0 HD21 ASN A 81 14.494 7.079 1.578 1.00 11.31 H new ATOM 0 HD22 ASN A 81 13.170 5.967 1.213 1.00 11.31 H new ATOM 1182 N THR A 82 8.964 8.095 1.239 1.00 2.11 N ATOM 1183 CA THR A 82 8.710 8.482 -0.150 1.00 51.54 C ATOM 1184 C THR A 82 8.570 10.000 -0.237 1.00 12.54 C ATOM 1185 O THR A 82 8.453 10.694 0.778 1.00 75.24 O ATOM 1186 CB THR A 82 7.497 7.816 -0.785 1.00 0.14 C ATOM 1187 OG1 THR A 82 6.313 8.006 0.004 1.00 10.25 O ATOM 1188 CG2 THR A 82 7.782 6.314 -0.967 1.00 71.11 C ATOM 0 H THR A 82 8.154 7.731 1.740 1.00 2.11 H new ATOM 0 HA THR A 82 9.570 8.130 -0.721 1.00 51.54 H new ATOM 0 HB THR A 82 7.318 8.280 -1.755 1.00 0.14 H new ATOM 0 HG1 THR A 82 6.413 7.542 0.861 1.00 10.25 H new ATOM 0 HG21 THR A 82 6.916 5.832 -1.421 1.00 71.11 H new ATOM 0 HG22 THR A 82 8.650 6.184 -1.613 1.00 71.11 H new ATOM 0 HG23 THR A 82 7.981 5.861 0.004 1.00 71.11 H new ATOM 1196 N GLY A 83 8.616 10.516 -1.480 1.00 41.42 N ATOM 1197 CA GLY A 83 8.583 11.937 -1.731 1.00 13.15 C ATOM 1198 C GLY A 83 7.156 12.397 -1.801 1.00 3.21 C ATOM 1199 O GLY A 83 6.312 11.971 -1.024 1.00 51.01 O ATOM 0 H GLY A 83 8.677 9.947 -2.324 1.00 41.42 H new ATOM 0 HA2 GLY A 83 9.110 12.470 -0.940 1.00 13.15 H new ATOM 0 HA3 GLY A 83 9.096 12.165 -2.665 1.00 13.15 H new ATOM 1203 N GLN A 84 6.875 13.321 -2.733 1.00 1.31 N ATOM 1204 CA GLN A 84 5.616 14.031 -2.763 1.00 71.15 C ATOM 1205 C GLN A 84 4.621 13.182 -3.483 1.00 65.33 C ATOM 1206 O GLN A 84 3.507 12.976 -2.996 1.00 41.44 O ATOM 1207 CB GLN A 84 5.732 15.394 -3.514 1.00 32.21 C ATOM 1208 CG GLN A 84 4.413 16.186 -3.636 1.00 55.22 C ATOM 1209 CD GLN A 84 3.938 16.621 -2.248 1.00 61.01 C ATOM 1210 OE1 GLN A 84 4.641 16.466 -1.248 1.00 10.31 O ATOM 1211 NE2 GLN A 84 2.732 17.183 -2.183 1.00 13.23 N ATOM 0 H GLN A 84 7.520 13.586 -3.477 1.00 1.31 H new ATOM 0 HA GLN A 84 5.312 14.234 -1.736 1.00 71.15 H new ATOM 0 HB2 GLN A 84 6.465 16.015 -2.998 1.00 32.21 H new ATOM 0 HB3 GLN A 84 6.121 15.208 -4.515 1.00 32.21 H new ATOM 0 HG2 GLN A 84 4.561 17.060 -4.270 1.00 55.22 H new ATOM 0 HG3 GLN A 84 3.651 15.570 -4.114 1.00 55.22 H new ATOM 0 HE21 GLN A 84 2.176 17.296 -3.030 1.00 13.23 H new ATOM 0 HE22 GLN A 84 2.365 17.500 -1.286 1.00 13.23 H new ATOM 1220 N VAL A 85 5.008 12.668 -4.663 1.00 24.10 N ATOM 1221 CA VAL A 85 4.125 11.827 -5.431 1.00 3.41 C ATOM 1222 C VAL A 85 4.813 10.513 -5.455 1.00 63.01 C ATOM 1223 O VAL A 85 6.047 10.456 -5.624 1.00 63.42 O ATOM 1224 CB VAL A 85 3.884 12.297 -6.868 1.00 22.55 C ATOM 1225 CG1 VAL A 85 2.872 11.334 -7.570 1.00 25.54 C ATOM 1226 CG2 VAL A 85 3.375 13.758 -6.813 1.00 22.44 C ATOM 0 H VAL A 85 5.921 12.828 -5.088 1.00 24.10 H new ATOM 0 HA VAL A 85 3.134 11.822 -4.976 1.00 3.41 H new ATOM 0 HB VAL A 85 4.801 12.274 -7.456 1.00 22.55 H new ATOM 0 HG11 VAL A 85 2.701 11.669 -8.593 1.00 25.54 H new ATOM 0 HG12 VAL A 85 3.280 10.323 -7.583 1.00 25.54 H new ATOM 0 HG13 VAL A 85 1.928 11.337 -7.024 1.00 25.54 H new ATOM 0 HG21 VAL A 85 3.195 14.119 -7.826 1.00 22.44 H new ATOM 0 HG22 VAL A 85 2.447 13.799 -6.243 1.00 22.44 H new ATOM 0 HG23 VAL A 85 4.124 14.387 -6.332 1.00 22.44 H new ATOM 1236 N VAL A 86 4.068 9.430 -5.232 1.00 3.24 N ATOM 1237 CA VAL A 86 4.650 8.136 -5.196 1.00 63.04 C ATOM 1238 C VAL A 86 3.912 7.365 -6.215 1.00 13.21 C ATOM 1239 O VAL A 86 2.709 7.534 -6.353 1.00 63.34 O ATOM 1240 CB VAL A 86 4.446 7.436 -3.866 1.00 5.02 C ATOM 1241 CG1 VAL A 86 5.428 6.253 -3.775 1.00 61.31 C ATOM 1242 CG2 VAL A 86 4.635 8.463 -2.743 1.00 64.23 C ATOM 0 H VAL A 86 3.060 9.449 -5.076 1.00 3.24 H new ATOM 0 HA VAL A 86 5.725 8.210 -5.362 1.00 63.04 H new ATOM 0 HB VAL A 86 3.440 7.028 -3.770 1.00 5.02 H new ATOM 0 HG11 VAL A 86 5.292 5.740 -2.823 1.00 61.31 H new ATOM 0 HG12 VAL A 86 5.237 5.558 -4.592 1.00 61.31 H new ATOM 0 HG13 VAL A 86 6.451 6.623 -3.845 1.00 61.31 H new ATOM 0 HG21 VAL A 86 4.492 7.977 -1.778 1.00 64.23 H new ATOM 0 HG22 VAL A 86 5.642 8.878 -2.795 1.00 64.23 H new ATOM 0 HG23 VAL A 86 3.906 9.265 -2.857 1.00 64.23 H new ATOM 1252 N HIS A 87 4.604 6.495 -6.939 1.00 40.42 N ATOM 1253 CA HIS A 87 3.951 5.627 -7.871 1.00 51.52 C ATOM 1254 C HIS A 87 3.759 4.345 -7.114 1.00 63.30 C ATOM 1255 O HIS A 87 4.723 3.736 -6.697 1.00 32.01 O ATOM 1256 CB HIS A 87 4.808 5.333 -9.129 1.00 5.42 C ATOM 1257 CG HIS A 87 4.006 4.803 -10.285 1.00 12.11 C ATOM 1258 ND1 HIS A 87 3.313 5.629 -11.125 1.00 62.24 N ATOM 1259 CD2 HIS A 87 3.788 3.539 -10.698 1.00 14.54 C ATOM 1260 CE1 HIS A 87 2.692 4.882 -12.024 1.00 42.42 C ATOM 1261 NE2 HIS A 87 2.963 3.614 -11.786 1.00 4.23 N ATOM 0 H HIS A 87 5.617 6.382 -6.889 1.00 40.42 H new ATOM 0 HA HIS A 87 3.029 6.084 -8.231 1.00 51.52 H new ATOM 0 HB2 HIS A 87 5.315 6.248 -9.437 1.00 5.42 H new ATOM 0 HB3 HIS A 87 5.583 4.611 -8.872 1.00 5.42 H new ATOM 0 HD2 HIS A 87 4.188 2.639 -10.255 1.00 14.54 H new ATOM 0 HE1 HIS A 87 2.065 5.251 -12.822 1.00 42.42 H new ATOM 0 HE2 HIS A 87 2.615 2.820 -12.324 1.00 4.23 H new ATOM 1270 N LEU A 88 2.513 3.949 -6.866 1.00 55.02 N ATOM 1271 CA LEU A 88 2.258 2.765 -6.071 1.00 22.34 C ATOM 1272 C LEU A 88 1.560 1.818 -6.961 1.00 12.23 C ATOM 1273 O LEU A 88 0.761 2.222 -7.799 1.00 0.23 O ATOM 1274 CB LEU A 88 1.360 3.004 -4.816 1.00 1.51 C ATOM 1275 CG LEU A 88 1.959 4.021 -3.821 1.00 11.45 C ATOM 1276 CD1 LEU A 88 0.937 4.495 -2.787 1.00 44.01 C ATOM 1277 CD2 LEU A 88 3.255 3.517 -3.170 1.00 75.34 C ATOM 0 H LEU A 88 1.678 4.428 -7.202 1.00 55.02 H new ATOM 0 HA LEU A 88 3.214 2.405 -5.689 1.00 22.34 H new ATOM 0 HB2 LEU A 88 0.381 3.357 -5.140 1.00 1.51 H new ATOM 0 HB3 LEU A 88 1.203 2.055 -4.304 1.00 1.51 H new ATOM 0 HG LEU A 88 2.233 4.896 -4.410 1.00 11.45 H new ATOM 0 HD11 LEU A 88 1.408 5.209 -2.111 1.00 44.01 H new ATOM 0 HD12 LEU A 88 0.100 4.974 -3.295 1.00 44.01 H new ATOM 0 HD13 LEU A 88 0.573 3.640 -2.217 1.00 44.01 H new ATOM 0 HD21 LEU A 88 3.633 4.271 -2.480 1.00 75.34 H new ATOM 0 HD22 LEU A 88 3.054 2.595 -2.625 1.00 75.34 H new ATOM 0 HD23 LEU A 88 4.000 3.327 -3.943 1.00 75.34 H new ATOM 1289 N LEU A 89 1.861 0.534 -6.808 1.00 74.31 N ATOM 1290 CA LEU A 89 1.167 -0.488 -7.538 1.00 21.42 C ATOM 1291 C LEU A 89 0.515 -1.288 -6.495 1.00 20.13 C ATOM 1292 O LEU A 89 1.153 -1.669 -5.499 1.00 4.33 O ATOM 1293 CB LEU A 89 2.087 -1.431 -8.355 1.00 4.35 C ATOM 1294 CG LEU A 89 2.245 -1.042 -9.843 1.00 23.04 C ATOM 1295 CD1 LEU A 89 2.374 0.472 -10.090 1.00 40.30 C ATOM 1296 CD2 LEU A 89 3.338 -1.864 -10.553 1.00 64.44 C ATOM 0 H LEU A 89 2.586 0.188 -6.179 1.00 74.31 H new ATOM 0 HA LEU A 89 0.502 -0.024 -8.266 1.00 21.42 H new ATOM 0 HB2 LEU A 89 3.073 -1.448 -7.890 1.00 4.35 H new ATOM 0 HB3 LEU A 89 1.690 -2.445 -8.298 1.00 4.35 H new ATOM 0 HG LEU A 89 1.299 -1.314 -10.310 1.00 23.04 H new ATOM 0 HD11 LEU A 89 2.481 0.659 -11.159 1.00 40.30 H new ATOM 0 HD12 LEU A 89 1.482 0.978 -9.721 1.00 40.30 H new ATOM 0 HD13 LEU A 89 3.251 0.853 -9.566 1.00 40.30 H new ATOM 0 HD21 LEU A 89 3.409 -1.552 -11.595 1.00 64.44 H new ATOM 0 HD22 LEU A 89 4.296 -1.699 -10.059 1.00 64.44 H new ATOM 0 HD23 LEU A 89 3.084 -2.923 -10.508 1.00 64.44 H new ATOM 1308 N LEU A 90 -0.767 -1.547 -6.684 1.00 23.53 N ATOM 1309 CA LEU A 90 -1.508 -2.282 -5.720 1.00 52.42 C ATOM 1310 C LEU A 90 -2.242 -3.314 -6.473 1.00 43.41 C ATOM 1311 O LEU A 90 -2.456 -3.172 -7.660 1.00 43.20 O ATOM 1312 CB LEU A 90 -2.517 -1.452 -4.898 1.00 14.10 C ATOM 1313 CG LEU A 90 -1.865 -0.338 -4.048 1.00 22.25 C ATOM 1314 CD1 LEU A 90 -1.730 1.001 -4.805 1.00 13.30 C ATOM 1315 CD2 LEU A 90 -2.557 -0.172 -2.693 1.00 72.24 C ATOM 0 H LEU A 90 -1.301 -1.252 -7.502 1.00 23.53 H new ATOM 0 HA LEU A 90 -0.805 -2.678 -4.987 1.00 52.42 H new ATOM 0 HB2 LEU A 90 -3.240 -1.001 -5.577 1.00 14.10 H new ATOM 0 HB3 LEU A 90 -3.072 -2.121 -4.240 1.00 14.10 H new ATOM 0 HG LEU A 90 -0.846 -0.668 -3.847 1.00 22.25 H new ATOM 0 HD11 LEU A 90 -1.265 1.742 -4.154 1.00 13.30 H new ATOM 0 HD12 LEU A 90 -1.111 0.857 -5.691 1.00 13.30 H new ATOM 0 HD13 LEU A 90 -2.718 1.351 -5.105 1.00 13.30 H new ATOM 0 HD21 LEU A 90 -2.066 0.621 -2.129 1.00 72.24 H new ATOM 0 HD22 LEU A 90 -3.604 0.088 -2.849 1.00 72.24 H new ATOM 0 HD23 LEU A 90 -2.494 -1.106 -2.135 1.00 72.24 H new ATOM 1327 N GLU A 91 -2.587 -4.407 -5.797 1.00 75.13 N ATOM 1328 CA GLU A 91 -3.224 -5.519 -6.407 1.00 2.11 C ATOM 1329 C GLU A 91 -4.501 -5.678 -5.676 1.00 73.51 C ATOM 1330 O GLU A 91 -4.538 -5.622 -4.439 1.00 52.51 O ATOM 1331 CB GLU A 91 -2.428 -6.827 -6.222 1.00 64.04 C ATOM 1332 CG GLU A 91 -3.058 -8.057 -6.884 1.00 31.24 C ATOM 1333 CD GLU A 91 -2.238 -9.237 -6.482 1.00 41.23 C ATOM 1334 OE1 GLU A 91 -2.108 -9.480 -5.260 1.00 72.43 O ATOM 1335 OE2 GLU A 91 -1.676 -9.910 -7.357 1.00 32.52 O ATOM 0 H GLU A 91 -2.420 -4.524 -4.798 1.00 75.13 H new ATOM 0 HA GLU A 91 -3.329 -5.343 -7.478 1.00 2.11 H new ATOM 0 HB2 GLU A 91 -1.425 -6.687 -6.626 1.00 64.04 H new ATOM 0 HB3 GLU A 91 -2.317 -7.022 -5.155 1.00 64.04 H new ATOM 0 HG2 GLU A 91 -4.093 -8.180 -6.564 1.00 31.24 H new ATOM 0 HG3 GLU A 91 -3.070 -7.947 -7.968 1.00 31.24 H new ATOM 1342 N LYS A 92 -5.587 -5.837 -6.422 1.00 11.20 N ATOM 1343 CA LYS A 92 -6.879 -6.017 -5.849 1.00 14.53 C ATOM 1344 C LYS A 92 -7.009 -7.346 -5.181 1.00 5.31 C ATOM 1345 O LYS A 92 -6.348 -8.317 -5.513 1.00 15.12 O ATOM 1346 CB LYS A 92 -8.041 -5.845 -6.849 1.00 34.21 C ATOM 1347 CG LYS A 92 -8.311 -4.398 -7.198 1.00 15.55 C ATOM 1348 CD LYS A 92 -8.698 -3.606 -5.956 1.00 51.30 C ATOM 1349 CE LYS A 92 -9.024 -2.134 -6.210 1.00 43.14 C ATOM 1350 NZ LYS A 92 -9.238 -1.434 -4.933 1.00 50.31 N ATOM 0 H LYS A 92 -5.578 -5.842 -7.442 1.00 11.20 H new ATOM 0 HA LYS A 92 -6.960 -5.219 -5.111 1.00 14.53 H new ATOM 0 HB2 LYS A 92 -7.813 -6.397 -7.761 1.00 34.21 H new ATOM 0 HB3 LYS A 92 -8.944 -6.286 -6.427 1.00 34.21 H new ATOM 0 HG2 LYS A 92 -7.424 -3.958 -7.654 1.00 15.55 H new ATOM 0 HG3 LYS A 92 -9.111 -4.340 -7.936 1.00 15.55 H new ATOM 0 HD2 LYS A 92 -9.564 -4.081 -5.495 1.00 51.30 H new ATOM 0 HD3 LYS A 92 -7.881 -3.664 -5.236 1.00 51.30 H new ATOM 0 HE2 LYS A 92 -8.209 -1.663 -6.759 1.00 43.14 H new ATOM 0 HE3 LYS A 92 -9.916 -2.053 -6.831 1.00 43.14 H new ATOM 0 HZ1 LYS A 92 -9.056 -0.418 -5.059 1.00 50.31 H new ATOM 0 HZ2 LYS A 92 -10.220 -1.573 -4.621 1.00 50.31 H new ATOM 0 HZ3 LYS A 92 -8.589 -1.815 -4.215 1.00 50.31 H new ATOM 1364 N GLY A 93 -7.878 -7.355 -4.196 1.00 64.54 N ATOM 1365 CA GLY A 93 -8.173 -8.513 -3.425 1.00 60.43 C ATOM 1366 C GLY A 93 -8.203 -8.022 -2.051 1.00 65.22 C ATOM 1367 O GLY A 93 -7.488 -8.528 -1.178 1.00 43.43 O ATOM 0 H GLY A 93 -8.406 -6.530 -3.912 1.00 64.54 H new ATOM 0 HA2 GLY A 93 -9.128 -8.952 -3.713 1.00 60.43 H new ATOM 0 HA3 GLY A 93 -7.415 -9.285 -3.557 1.00 60.43 H new ATOM 1371 N GLN A 94 -9.019 -6.965 -1.805 1.00 25.35 N ATOM 1372 CA GLN A 94 -9.014 -6.363 -0.511 1.00 11.41 C ATOM 1373 C GLN A 94 -9.905 -7.167 0.354 1.00 3.22 C ATOM 1374 O GLN A 94 -10.891 -7.746 -0.114 1.00 34.30 O ATOM 1375 CB GLN A 94 -9.432 -4.865 -0.463 1.00 2.40 C ATOM 1376 CG GLN A 94 -10.804 -4.539 -1.087 1.00 24.22 C ATOM 1377 CD GLN A 94 -11.045 -3.036 -0.925 1.00 72.13 C ATOM 1378 OE1 GLN A 94 -12.015 -2.612 -0.297 1.00 64.24 O ATOM 1379 NE2 GLN A 94 -10.143 -2.206 -1.489 1.00 3.53 N ATOM 0 H GLN A 94 -9.657 -6.546 -2.482 1.00 25.35 H new ATOM 0 HA GLN A 94 -7.980 -6.360 -0.167 1.00 11.41 H new ATOM 0 HB2 GLN A 94 -9.439 -4.541 0.578 1.00 2.40 H new ATOM 0 HB3 GLN A 94 -8.670 -4.277 -0.975 1.00 2.40 H new ATOM 0 HG2 GLN A 94 -10.820 -4.817 -2.141 1.00 24.22 H new ATOM 0 HG3 GLN A 94 -11.593 -5.108 -0.595 1.00 24.22 H new ATOM 0 HE21 GLN A 94 -9.350 -2.589 -2.003 1.00 3.53 H new ATOM 0 HE22 GLN A 94 -10.255 -1.196 -1.401 1.00 3.53 H new ATOM 1388 N SER A 95 -9.537 -7.273 1.633 1.00 35.01 N ATOM 1389 CA SER A 95 -10.237 -8.085 2.588 1.00 43.11 C ATOM 1390 C SER A 95 -11.654 -7.567 2.755 1.00 55.14 C ATOM 1391 O SER A 95 -11.952 -6.403 2.436 1.00 62.01 O ATOM 1392 CB SER A 95 -9.530 -7.980 3.958 1.00 14.42 C ATOM 1393 OG SER A 95 -8.110 -8.093 3.769 1.00 43.52 O ATOM 0 H SER A 95 -8.731 -6.784 2.024 1.00 35.01 H new ATOM 0 HA SER A 95 -10.249 -9.117 2.237 1.00 43.11 H new ATOM 0 HB2 SER A 95 -9.771 -7.029 4.433 1.00 14.42 H new ATOM 0 HB3 SER A 95 -9.884 -8.767 4.624 1.00 14.42 H new ATOM 0 HG SER A 95 -7.658 -8.025 4.636 1.00 43.52 H new ATOM 1399 N PRO A 96 -12.548 -8.442 3.268 1.00 4.51 N ATOM 1400 CA PRO A 96 -13.899 -8.051 3.651 1.00 53.10 C ATOM 1401 C PRO A 96 -13.792 -7.143 4.848 1.00 71.23 C ATOM 1402 O PRO A 96 -12.708 -7.060 5.439 1.00 24.42 O ATOM 1403 CB PRO A 96 -14.585 -9.384 4.028 1.00 55.21 C ATOM 1404 CG PRO A 96 -13.427 -10.317 4.434 1.00 44.13 C ATOM 1405 CD PRO A 96 -12.275 -9.869 3.528 1.00 53.50 C ATOM 0 HA PRO A 96 -14.453 -7.523 2.875 1.00 53.10 H new ATOM 0 HB2 PRO A 96 -15.291 -9.249 4.848 1.00 55.21 H new ATOM 0 HB3 PRO A 96 -15.147 -9.792 3.188 1.00 55.21 H new ATOM 0 HG2 PRO A 96 -13.174 -10.208 5.489 1.00 44.13 H new ATOM 0 HG3 PRO A 96 -13.680 -11.365 4.273 1.00 44.13 H new ATOM 0 HD2 PRO A 96 -11.310 -10.007 4.015 1.00 53.50 H new ATOM 0 HD3 PRO A 96 -12.250 -10.444 2.602 1.00 53.50 H new ATOM 1413 N THR A 97 -14.873 -6.466 5.224 1.00 43.22 N ATOM 1414 CA THR A 97 -14.862 -5.644 6.370 1.00 53.14 C ATOM 1415 C THR A 97 -16.195 -5.994 7.067 1.00 74.12 C ATOM 1416 O THR A 97 -16.167 -6.383 8.241 1.00 74.20 O ATOM 1417 CB THR A 97 -14.762 -4.128 6.057 1.00 24.35 C ATOM 1418 OG1 THR A 97 -14.855 -3.344 7.257 1.00 33.42 O ATOM 1419 CG2 THR A 97 -15.850 -3.706 5.030 1.00 64.51 C ATOM 0 H THR A 97 -15.764 -6.489 4.728 1.00 43.22 H new ATOM 0 HA THR A 97 -13.981 -5.827 6.985 1.00 53.14 H new ATOM 0 HB THR A 97 -13.785 -3.939 5.613 1.00 24.35 H new ATOM 0 HG1 THR A 97 -14.787 -2.393 7.032 1.00 33.42 H new ATOM 0 HG21 THR A 97 -15.762 -2.639 4.825 1.00 64.51 H new ATOM 0 HG22 THR A 97 -15.714 -4.266 4.105 1.00 64.51 H new ATOM 0 HG23 THR A 97 -16.838 -3.916 5.439 1.00 64.51 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 1.893 3.185 9.928 1.00 51.25 C HETATM 1429 C2 33B A 101 3.119 3.352 10.829 1.00 53.33 C HETATM 1430 O2 33B A 101 4.026 4.125 10.502 1.00 23.11 O HETATM 1431 N3 33B A 101 3.149 2.586 11.979 1.00 24.44 N HETATM 1432 C4 33B A 101 4.135 2.762 13.149 1.00 44.32 C HETATM 1433 C5 33B A 101 5.054 3.857 13.182 1.00 25.23 C HETATM 1434 C6 33B A 101 4.145 1.827 14.288 1.00 12.10 C HETATM 1435 S6 33B A 101 3.055 0.385 14.400 1.00 4.45 S HETATM 1436 C7 33B A 101 5.915 4.038 14.255 1.00 12.52 C HETATM 1437 C8 33B A 101 5.051 2.070 15.353 1.00 53.42 C HETATM 1438 C9 33B A 101 5.923 3.157 15.342 1.00 54.31 C HETATM 1439 N10 33B A 101 6.853 3.397 16.506 1.00 50.23 N HETATM 1440 N11 33B A 101 8.122 3.473 16.415 1.00 4.11 N HETATM 1441 C12 33B A 101 8.908 3.310 15.141 1.00 22.11 C HETATM 1442 C13 33B A 101 8.997 2.057 14.525 1.00 23.33 C HETATM 1443 C14 33B A 101 9.571 4.401 14.579 1.00 23.03 C HETATM 1444 C15 33B A 101 9.761 1.867 13.374 1.00 42.52 C HETATM 1445 C16 33B A 101 10.347 4.280 13.399 1.00 22.32 C HETATM 1446 C17 33B A 101 10.471 2.953 12.774 1.00 3.34 C HETATM 1447 S17 33B A 101 11.203 5.754 12.795 1.00 45.51 S HETATM 1448 N18 33B A 101 11.296 2.758 11.488 1.00 62.51 N HETATM 1449 C19 33B A 101 11.505 1.556 10.848 1.00 11.32 C HETATM 1450 O19 33B A 101 11.329 0.463 11.381 1.00 23.22 O HETATM 1451 C20 33B A 101 11.922 1.644 9.387 1.00 5.33 C HETATM 1452 O61 33B A 101 3.779 -0.491 15.302 1.00 61.03 O HETATM 1453 O62 33B A 101 1.825 0.958 14.916 1.00 3.22 O HETATM 1454 O63 33B A 101 2.988 -0.093 13.032 1.00 32.53 O HETATM 1455 O71 33B A 101 11.380 5.505 11.383 1.00 12.41 O HETATM 1456 O72 33B A 101 10.266 6.822 13.106 1.00 31.33 O HETATM 1457 O73 33B A 101 12.412 5.733 13.588 1.00 53.14 O HETATM 0 HO72 33B A 101 10.640 7.680 12.815 1.00 31.33 H new HETATM 0 HO62 33B A 101 1.152 0.252 15.017 1.00 3.22 H new HETATM 0 HN18 33B A 101 11.723 3.588 11.076 1.00 62.51 H new HETATM 0 HN3 33B A 101 2.458 1.840 12.060 1.00 24.44 H new HETATM 0 H8 33B A 101 5.065 1.388 16.203 1.00 53.42 H new HETATM 0 H7 33B A 101 6.600 4.885 14.251 1.00 12.52 H new HETATM 0 H5 33B A 101 5.079 4.561 12.350 1.00 25.23 H new HETATM 0 H15 33B A 101 9.818 0.875 12.925 1.00 42.52 H new HETATM 0 H14 33B A 101 9.490 5.375 15.061 1.00 23.03 H new HETATM 0 H13 33B A 101 8.458 1.212 14.954 1.00 23.33 H new