USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 94 TYR OH : rot 80:sc= 0.188 USER MOD Set 2.1: A 85 GLN : amide:sc= 0.725 K(o=1.6,f=-1.4) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -136:sc= 0.828 (180deg=0) USER MOD Set 3.1: A 65 ASN : amide:sc= -2.71! C(o=-3.8!,f=-13!) USER MOD Set 3.2: A 88 TYR OH : rot -135:sc= 1.23 USER MOD Set 3.3: A 115 GLN : amide:sc= -2.28! K(o=-3.8!,f=-5.6) USER MOD Set 4.1: A 61 LYS NZ :NH3+ 137:sc= 0.552 (180deg=0.00485) USER MOD Set 4.2: A 62 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 1 GLN : amide:sc= -0.0802 K(o=-0.08,f=-0.9) USER MOD Single : A 1 GLN N :NH3+ -142:sc= -0.353 (180deg=-2.34!) USER MOD Single : A 3 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.3) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.82 F(o=-12!,f=-0.82) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 89:sc= 0.338 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 36 TYR OH : rot 150:sc= -0.0252 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0633 F(o=-1.7!,f=-0.063) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.623 K(o=-0.62,f=-9.9!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -1.76 F(o=-2.5,f=-1.8) USER MOD Single : A 84 SER OG : rot -57:sc= 1.3 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= -0.0112 (180deg=-0.107) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -51:sc= 0.211 USER MOD Single : A 110 THR OG1 : rot 130:sc= 1.2 USER MOD Single : A 117 THR OG1 : rot -110:sc= -2.64! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.179 -6.714 -17.117 1.00 0.00 N ATOM 2 CA GLN A 1 22.941 -8.114 -16.965 1.00 0.00 C ATOM 3 C GLN A 1 21.494 -8.395 -16.619 1.00 0.00 C ATOM 4 O GLN A 1 20.747 -8.778 -17.492 1.00 0.00 O ATOM 5 CB GLN A 1 23.873 -8.519 -15.893 1.00 0.00 C ATOM 6 CG GLN A 1 25.277 -8.345 -16.330 1.00 0.00 C ATOM 7 CD GLN A 1 26.253 -8.531 -15.240 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.735 -9.613 -14.969 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.515 -7.413 -14.574 1.00 0.00 N ATOM 0 H1 GLN A 1 23.847 -6.558 -17.899 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.282 -6.230 -17.326 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.581 -6.333 -16.237 1.00 0.00 H new ATOM 0 HA GLN A 1 23.112 -8.677 -17.882 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.688 -7.924 -14.999 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.696 -9.561 -15.624 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.493 -9.056 -17.127 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.398 -7.347 -16.751 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.075 -6.537 -14.855 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.156 -7.430 -13.781 1.00 0.00 H new ATOM 18 N CYS A 2 21.066 -8.201 -15.351 1.00 0.00 N ATOM 19 CA CYS A 2 19.665 -8.414 -15.075 1.00 0.00 C ATOM 20 C CYS A 2 18.925 -7.173 -15.639 1.00 0.00 C ATOM 21 O CYS A 2 17.745 -7.179 -15.825 1.00 0.00 O ATOM 22 CB CYS A 2 19.183 -8.550 -13.603 1.00 0.00 C ATOM 23 SG CYS A 2 20.031 -9.600 -12.323 1.00 0.00 S ATOM 0 H CYS A 2 21.644 -7.915 -14.561 1.00 0.00 H new ATOM 0 HA CYS A 2 19.457 -9.388 -15.519 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.155 -7.539 -13.197 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.153 -8.902 -13.652 1.00 0.00 H new ATOM 28 N ASN A 3 19.716 -6.087 -15.838 1.00 0.00 N ATOM 29 CA ASN A 3 19.264 -4.741 -16.256 1.00 0.00 C ATOM 30 C ASN A 3 18.286 -4.108 -15.254 1.00 0.00 C ATOM 31 O ASN A 3 17.447 -3.301 -15.606 1.00 0.00 O ATOM 32 CB ASN A 3 18.714 -4.768 -17.743 1.00 0.00 C ATOM 33 CG ASN A 3 17.176 -4.908 -17.908 1.00 0.00 C ATOM 34 OD1 ASN A 3 16.448 -3.909 -17.942 1.00 0.00 O ATOM 35 ND2 ASN A 3 16.694 -6.124 -18.044 1.00 0.00 N ATOM 0 H ASN A 3 20.726 -6.131 -15.705 1.00 0.00 H new ATOM 0 HA ASN A 3 20.132 -4.082 -16.252 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.029 -3.851 -18.240 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.191 -5.595 -18.269 1.00 0.00 H new ATOM 0 HD21 ASN A 3 15.693 -6.263 -18.182 1.00 0.00 H new ATOM 0 HD22 ASN A 3 17.321 -6.928 -18.011 1.00 0.00 H new ATOM 42 N ALA A 4 18.548 -4.384 -13.974 1.00 0.00 N ATOM 43 CA ALA A 4 17.800 -3.827 -12.816 1.00 0.00 C ATOM 44 C ALA A 4 16.395 -4.388 -12.716 1.00 0.00 C ATOM 45 O ALA A 4 15.645 -4.388 -13.692 1.00 0.00 O ATOM 46 CB ALA A 4 17.755 -2.325 -12.837 1.00 0.00 C ATOM 0 H ALA A 4 19.300 -5.014 -13.695 1.00 0.00 H new ATOM 0 HA ALA A 4 18.353 -4.138 -11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.198 -1.966 -11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.770 -1.930 -12.805 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.264 -1.988 -13.750 1.00 0.00 H new ATOM 52 N PRO A 5 16.061 -4.981 -11.544 1.00 0.00 N ATOM 53 CA PRO A 5 14.749 -5.636 -11.356 1.00 0.00 C ATOM 54 C PRO A 5 13.606 -4.666 -11.634 1.00 0.00 C ATOM 55 O PRO A 5 12.729 -4.912 -12.465 1.00 0.00 O ATOM 56 CB PRO A 5 14.693 -5.898 -9.858 1.00 0.00 C ATOM 57 CG PRO A 5 16.098 -5.792 -9.345 1.00 0.00 C ATOM 58 CD PRO A 5 16.918 -5.033 -10.351 1.00 0.00 C ATOM 0 HA PRO A 5 14.652 -6.507 -12.004 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.046 -5.174 -9.363 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.281 -6.886 -9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.112 -5.281 -8.382 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.519 -6.785 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.164 -4.033 -9.993 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.861 -5.538 -10.559 1.00 0.00 H new ATOM 66 N GLU A 6 13.751 -3.515 -10.998 1.00 0.00 N ATOM 67 CA GLU A 6 12.867 -2.351 -11.060 1.00 0.00 C ATOM 68 C GLU A 6 12.773 -1.779 -9.667 1.00 0.00 C ATOM 69 O GLU A 6 13.533 -2.190 -8.780 1.00 0.00 O ATOM 70 CB GLU A 6 11.430 -2.652 -11.583 1.00 0.00 C ATOM 71 CG GLU A 6 10.547 -3.493 -10.661 1.00 0.00 C ATOM 72 CD GLU A 6 9.154 -3.695 -11.247 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.529 -2.688 -11.662 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.679 -4.851 -11.286 1.00 0.00 O ATOM 0 H GLU A 6 14.545 -3.353 -10.379 1.00 0.00 H new ATOM 0 HA GLU A 6 13.301 -1.656 -11.779 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.926 -1.704 -11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.513 -3.164 -12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.016 -4.463 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.466 -3.005 -9.690 1.00 0.00 H new ATOM 81 N TRP A 7 11.846 -0.868 -9.444 1.00 0.00 N ATOM 82 CA TRP A 7 11.628 -0.372 -8.117 1.00 0.00 C ATOM 83 C TRP A 7 10.354 -0.959 -7.585 1.00 0.00 C ATOM 84 O TRP A 7 9.298 -0.841 -8.197 1.00 0.00 O ATOM 85 CB TRP A 7 11.548 1.164 -8.088 1.00 0.00 C ATOM 86 CG TRP A 7 11.279 1.720 -6.746 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.130 1.718 -5.650 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.112 2.441 -6.345 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.533 2.349 -4.592 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.301 2.811 -4.994 1.00 0.00 C ATOM 91 CE3 TRP A 7 8.904 2.804 -6.981 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.346 3.523 -4.283 1.00 0.00 C ATOM 93 CZ3 TRP A 7 7.966 3.516 -6.262 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.196 3.863 -4.923 1.00 0.00 C ATOM 0 H TRP A 7 11.243 -0.466 -10.161 1.00 0.00 H new ATOM 0 HA TRP A 7 12.473 -0.666 -7.494 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.486 1.575 -8.460 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.764 1.491 -8.771 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.118 1.283 -5.634 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.935 2.458 -3.661 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.718 2.530 -8.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.511 3.799 -3.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 7.042 3.810 -6.737 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.439 4.415 -4.386 1.00 0.00 H new ATOM 105 N LEU A 8 10.447 -1.568 -6.434 1.00 0.00 N ATOM 106 CA LEU A 8 9.328 -2.199 -5.826 1.00 0.00 C ATOM 107 C LEU A 8 8.901 -1.335 -4.656 1.00 0.00 C ATOM 108 O LEU A 8 9.642 -1.183 -3.699 1.00 0.00 O ATOM 109 CB LEU A 8 9.727 -3.599 -5.367 1.00 0.00 C ATOM 110 CG LEU A 8 8.586 -4.606 -5.206 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.961 -4.927 -6.555 1.00 0.00 C ATOM 112 CD2 LEU A 8 9.084 -5.894 -4.566 1.00 0.00 C ATOM 0 H LEU A 8 11.311 -1.636 -5.896 1.00 0.00 H new ATOM 0 HA LEU A 8 8.497 -2.304 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.443 -4.003 -6.082 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.245 -3.512 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 8 7.836 -4.153 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.152 -5.645 -6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.565 -4.014 -6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.717 -5.353 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.254 -6.593 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.856 -6.338 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.499 -5.675 -3.582 1.00 0.00 H new ATOM 124 N PRO A 9 7.711 -0.730 -4.736 1.00 0.00 N ATOM 125 CA PRO A 9 7.240 0.209 -3.711 1.00 0.00 C ATOM 126 C PRO A 9 6.990 -0.437 -2.337 1.00 0.00 C ATOM 127 O PRO A 9 6.971 0.264 -1.321 1.00 0.00 O ATOM 128 CB PRO A 9 5.937 0.777 -4.312 1.00 0.00 C ATOM 129 CG PRO A 9 5.481 -0.244 -5.271 1.00 0.00 C ATOM 130 CD PRO A 9 6.738 -0.883 -5.843 1.00 0.00 C ATOM 0 HA PRO A 9 7.993 0.968 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.190 0.953 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.114 1.732 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.856 -0.989 -4.778 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.879 0.205 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.579 -1.930 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.073 -0.379 -6.749 1.00 0.00 H new ATOM 138 N PHE A 10 6.792 -1.742 -2.301 1.00 0.00 N ATOM 139 CA PHE A 10 6.517 -2.405 -1.027 1.00 0.00 C ATOM 140 C PHE A 10 7.754 -3.140 -0.473 1.00 0.00 C ATOM 141 O PHE A 10 7.658 -3.890 0.523 1.00 0.00 O ATOM 142 CB PHE A 10 5.299 -3.362 -1.121 1.00 0.00 C ATOM 143 CG PHE A 10 5.021 -3.945 -2.488 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.227 -3.262 -3.393 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.547 -5.171 -2.867 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.959 -3.785 -4.650 1.00 0.00 C ATOM 147 CE2 PHE A 10 5.276 -5.701 -4.102 1.00 0.00 C ATOM 148 CZ PHE A 10 4.481 -5.007 -4.996 1.00 0.00 C ATOM 0 H PHE A 10 6.814 -2.357 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 10 6.263 -1.615 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.452 -4.184 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.411 -2.823 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.809 -2.306 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.178 -5.715 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.346 -3.236 -5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.684 -6.662 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.270 -5.427 -5.968 1.00 0.00 H new ATOM 158 N ALA A 11 8.922 -2.918 -1.092 1.00 0.00 N ATOM 159 CA ALA A 11 10.135 -3.559 -0.652 1.00 0.00 C ATOM 160 C ALA A 11 11.364 -2.631 -0.763 1.00 0.00 C ATOM 161 O ALA A 11 11.410 -1.755 -1.618 1.00 0.00 O ATOM 162 CB ALA A 11 10.360 -4.816 -1.450 1.00 0.00 C ATOM 0 H ALA A 11 9.036 -2.299 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 11 10.015 -3.805 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.278 -5.300 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.519 -5.494 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.446 -4.565 -2.507 1.00 0.00 H new ATOM 168 N ARG A 12 12.354 -2.815 0.146 1.00 0.00 N ATOM 169 CA ARG A 12 13.593 -2.002 0.137 1.00 0.00 C ATOM 170 C ARG A 12 14.860 -2.886 0.211 1.00 0.00 C ATOM 171 O ARG A 12 15.373 -3.121 1.297 1.00 0.00 O ATOM 172 CB ARG A 12 13.653 -1.025 1.329 1.00 0.00 C ATOM 173 CG ARG A 12 12.325 -0.639 1.954 1.00 0.00 C ATOM 174 CD ARG A 12 11.603 0.414 1.130 1.00 0.00 C ATOM 175 NE ARG A 12 11.136 1.529 1.977 1.00 0.00 N ATOM 176 CZ ARG A 12 10.406 1.401 3.126 1.00 0.00 C ATOM 177 NH1 ARG A 12 9.924 0.199 3.521 1.00 0.00 N ATOM 178 NH2 ARG A 12 10.142 2.464 3.860 1.00 0.00 N ATOM 0 H ARG A 12 12.318 -3.514 0.888 1.00 0.00 H new ATOM 0 HA ARG A 12 13.568 -1.449 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.278 -1.469 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.153 -0.114 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.695 -1.524 2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.493 -0.260 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.271 0.796 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.753 -0.039 0.620 1.00 0.00 H new ATOM 0 HE ARG A 12 11.378 2.474 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.103 -0.632 2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.382 0.125 4.382 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.482 3.381 3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.597 2.369 4.717 1.00 0.00 H new ATOM 192 N PRO A 13 15.340 -3.447 -0.939 1.00 0.00 N ATOM 193 CA PRO A 13 16.564 -4.231 -0.975 1.00 0.00 C ATOM 194 C PRO A 13 17.801 -3.396 -0.764 1.00 0.00 C ATOM 195 O PRO A 13 17.841 -2.212 -1.061 1.00 0.00 O ATOM 196 CB PRO A 13 16.555 -4.893 -2.327 1.00 0.00 C ATOM 197 CG PRO A 13 15.850 -3.929 -3.161 1.00 0.00 C ATOM 198 CD PRO A 13 14.750 -3.346 -2.285 1.00 0.00 C ATOM 0 HA PRO A 13 16.594 -4.956 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.565 -5.079 -2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.043 -5.855 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.525 -3.148 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.432 -4.410 -4.045 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.520 -2.315 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.822 -3.911 -2.366 1.00 0.00 H new ATOM 206 N THR A 14 18.835 -4.057 -0.263 1.00 0.00 N ATOM 207 CA THR A 14 20.000 -3.366 0.279 1.00 0.00 C ATOM 208 C THR A 14 21.201 -3.327 -0.684 1.00 0.00 C ATOM 209 O THR A 14 22.231 -2.772 -0.349 1.00 0.00 O ATOM 210 CB THR A 14 20.450 -4.120 1.534 1.00 0.00 C ATOM 211 OG1 THR A 14 21.036 -5.376 1.152 1.00 0.00 O ATOM 212 CG2 THR A 14 19.270 -4.434 2.388 1.00 0.00 C ATOM 0 H THR A 14 18.892 -5.074 -0.220 1.00 0.00 H new ATOM 0 HA THR A 14 19.699 -2.337 0.473 1.00 0.00 H new ATOM 0 HB THR A 14 21.164 -3.497 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.326 -5.859 1.954 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.598 -4.970 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.777 -3.507 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.570 -5.054 1.828 1.00 0.00 H new ATOM 220 N GLN A 15 21.066 -3.907 -1.850 1.00 0.00 N ATOM 221 CA GLN A 15 22.269 -4.162 -2.707 1.00 0.00 C ATOM 222 C GLN A 15 22.110 -3.489 -4.076 1.00 0.00 C ATOM 223 O GLN A 15 23.029 -2.931 -4.623 1.00 0.00 O ATOM 224 CB GLN A 15 22.336 -5.627 -2.892 1.00 0.00 C ATOM 225 CG GLN A 15 22.314 -6.394 -1.595 1.00 0.00 C ATOM 226 CD GLN A 15 21.789 -7.717 -1.885 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.476 -7.711 -1.948 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 22.497 -8.690 -2.140 1.00 0.00 N flip ATOM 0 H GLN A 15 20.178 -4.215 -2.247 1.00 0.00 H new ATOM 0 HA GLN A 15 23.169 -3.762 -2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.497 -5.947 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.246 -5.876 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.316 -6.462 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.691 -5.886 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 15 23.512 -8.615 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 15 22.069 -9.571 -2.424 1.00 0.00 H new ATOM 237 N LEU A 16 20.884 -3.442 -4.509 1.00 0.00 N ATOM 238 CA LEU A 16 20.473 -2.884 -5.785 1.00 0.00 C ATOM 239 C LEU A 16 20.785 -1.445 -5.929 1.00 0.00 C ATOM 240 O LEU A 16 21.172 -1.016 -6.990 1.00 0.00 O ATOM 241 CB LEU A 16 18.983 -3.189 -5.947 1.00 0.00 C ATOM 242 CG LEU A 16 18.175 -2.386 -6.945 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.956 -3.152 -7.375 1.00 0.00 C ATOM 244 CD2 LEU A 16 17.721 -1.098 -6.254 1.00 0.00 C ATOM 0 H LEU A 16 20.101 -3.805 -3.966 1.00 0.00 H new ATOM 0 HA LEU A 16 21.045 -3.347 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.890 -4.241 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.514 -3.068 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 16 18.786 -2.175 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.388 -2.559 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.261 -4.090 -7.840 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.334 -3.364 -6.505 1.00 0.00 H new ATOM 0 HD21 LEU A 16 17.135 -0.498 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 16 17.110 -1.347 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 16 18.594 -0.531 -5.932 1.00 0.00 H new ATOM 256 N THR A 17 20.584 -0.713 -4.893 1.00 0.00 N ATOM 257 CA THR A 17 20.811 0.718 -4.914 1.00 0.00 C ATOM 258 C THR A 17 22.230 1.025 -5.470 1.00 0.00 C ATOM 259 O THR A 17 22.409 2.011 -6.176 1.00 0.00 O ATOM 260 CB THR A 17 20.634 1.319 -3.486 1.00 0.00 C ATOM 261 OG1 THR A 17 21.077 2.685 -3.465 1.00 0.00 O ATOM 262 CG2 THR A 17 21.450 0.507 -2.451 1.00 0.00 C ATOM 0 H THR A 17 20.257 -1.074 -3.997 1.00 0.00 H new ATOM 0 HA THR A 17 20.075 1.182 -5.570 1.00 0.00 H new ATOM 0 HB THR A 17 19.576 1.273 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.960 3.053 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.315 0.940 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.104 -0.527 -2.445 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.506 0.535 -2.718 1.00 0.00 H new ATOM 270 N ASP A 18 23.219 0.195 -5.125 1.00 0.00 N ATOM 271 CA ASP A 18 24.582 0.393 -5.598 1.00 0.00 C ATOM 272 C ASP A 18 24.841 -0.430 -6.869 1.00 0.00 C ATOM 273 O ASP A 18 25.667 -0.086 -7.702 1.00 0.00 O ATOM 274 CB ASP A 18 25.598 0.010 -4.497 1.00 0.00 C ATOM 275 CG ASP A 18 27.020 0.422 -4.833 1.00 0.00 C ATOM 276 OD1 ASP A 18 27.324 1.620 -4.761 1.00 0.00 O ATOM 277 OD2 ASP A 18 27.842 -0.453 -5.167 1.00 0.00 O ATOM 0 H ASP A 18 23.096 -0.617 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 18 24.709 1.449 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.302 0.478 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.566 -1.068 -4.339 1.00 0.00 H new ATOM 282 N GLU A 19 24.084 -1.514 -7.032 1.00 0.00 N ATOM 283 CA GLU A 19 24.233 -2.435 -8.099 1.00 0.00 C ATOM 284 C GLU A 19 22.903 -3.016 -8.547 1.00 0.00 C ATOM 285 O GLU A 19 22.441 -4.039 -8.085 1.00 0.00 O ATOM 286 CB GLU A 19 25.213 -3.492 -7.714 1.00 0.00 C ATOM 287 CG GLU A 19 25.147 -3.904 -6.277 1.00 0.00 C ATOM 288 CD GLU A 19 26.203 -4.922 -5.905 1.00 0.00 C ATOM 289 OE1 GLU A 19 26.902 -5.430 -6.824 1.00 0.00 O ATOM 290 OE2 GLU A 19 26.376 -5.183 -4.689 1.00 0.00 O ATOM 0 H GLU A 19 23.331 -1.761 -6.390 1.00 0.00 H new ATOM 0 HA GLU A 19 24.625 -1.901 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.046 -4.370 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 26.219 -3.133 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.262 -3.022 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.161 -4.319 -6.069 1.00 0.00 H new ATOM 297 N PHE A 20 22.325 -2.293 -9.395 1.00 0.00 N ATOM 298 CA PHE A 20 21.102 -2.584 -10.076 1.00 0.00 C ATOM 299 C PHE A 20 21.248 -3.830 -10.947 1.00 0.00 C ATOM 300 O PHE A 20 20.328 -4.659 -11.046 1.00 0.00 O ATOM 301 CB PHE A 20 20.775 -1.360 -10.909 1.00 0.00 C ATOM 302 CG PHE A 20 20.419 -0.178 -10.067 1.00 0.00 C ATOM 303 CD1 PHE A 20 21.397 0.687 -9.624 1.00 0.00 C ATOM 304 CD2 PHE A 20 19.107 0.072 -9.714 1.00 0.00 C ATOM 305 CE1 PHE A 20 21.074 1.774 -8.842 1.00 0.00 C ATOM 306 CE2 PHE A 20 18.765 1.164 -8.926 1.00 0.00 C ATOM 307 CZ PHE A 20 19.756 2.021 -8.484 1.00 0.00 C ATOM 0 H PHE A 20 22.712 -1.392 -9.674 1.00 0.00 H new ATOM 0 HA PHE A 20 20.298 -2.797 -9.372 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.631 -1.111 -11.537 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.945 -1.590 -11.578 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.428 0.510 -9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.331 -0.596 -10.058 1.00 0.00 H new ATOM 0 HE1 PHE A 20 21.854 2.440 -8.504 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.733 1.342 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.507 2.872 -7.868 1.00 0.00 H new ATOM 317 N GLU A 21 22.394 -3.952 -11.581 1.00 0.00 N ATOM 318 CA GLU A 21 22.650 -5.008 -12.563 1.00 0.00 C ATOM 319 C GLU A 21 23.597 -6.099 -12.012 1.00 0.00 C ATOM 320 O GLU A 21 24.680 -5.808 -11.542 1.00 0.00 O ATOM 321 CB GLU A 21 23.264 -4.373 -13.820 1.00 0.00 C ATOM 322 CG GLU A 21 22.306 -3.485 -14.574 1.00 0.00 C ATOM 323 CD GLU A 21 22.920 -2.811 -15.782 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.065 -2.314 -15.684 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.260 -2.795 -16.852 1.00 0.00 O ATOM 0 H GLU A 21 23.184 -3.324 -11.436 1.00 0.00 H new ATOM 0 HA GLU A 21 21.703 -5.493 -12.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.138 -3.789 -13.532 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.613 -5.164 -14.484 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.451 -4.080 -14.897 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.925 -2.720 -13.897 1.00 0.00 H new ATOM 332 N PHE A 22 23.155 -7.360 -12.086 1.00 0.00 N ATOM 333 CA PHE A 22 23.929 -8.503 -11.584 1.00 0.00 C ATOM 334 C PHE A 22 24.009 -9.624 -12.634 1.00 0.00 C ATOM 335 O PHE A 22 23.152 -9.736 -13.507 1.00 0.00 O ATOM 336 CB PHE A 22 23.249 -9.108 -10.373 1.00 0.00 C ATOM 337 CG PHE A 22 23.179 -8.251 -9.181 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.255 -8.150 -8.350 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.014 -7.568 -8.884 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.184 -7.390 -7.220 1.00 0.00 C ATOM 341 CE2 PHE A 22 21.929 -6.808 -7.764 1.00 0.00 C ATOM 342 CZ PHE A 22 23.007 -6.709 -6.923 1.00 0.00 C ATOM 0 H PHE A 22 22.256 -7.617 -12.493 1.00 0.00 H new ATOM 0 HA PHE A 22 24.923 -8.126 -11.342 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.234 -9.391 -10.654 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.773 -10.026 -10.107 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.169 -8.675 -8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.166 -7.640 -9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.036 -7.317 -6.560 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.014 -6.282 -7.535 1.00 0.00 H new ATOM 0 HZ PHE A 22 22.943 -6.103 -6.031 1.00 0.00 H new ATOM 352 N PRO A 23 25.045 -10.470 -12.525 1.00 0.00 N ATOM 353 CA PRO A 23 25.184 -11.703 -13.296 1.00 0.00 C ATOM 354 C PRO A 23 24.160 -12.756 -12.850 1.00 0.00 C ATOM 355 O PRO A 23 23.576 -12.629 -11.769 1.00 0.00 O ATOM 356 CB PRO A 23 26.637 -12.131 -13.049 1.00 0.00 C ATOM 357 CG PRO A 23 26.955 -11.594 -11.713 1.00 0.00 C ATOM 358 CD PRO A 23 26.191 -10.296 -11.599 1.00 0.00 C ATOM 0 HA PRO A 23 24.984 -11.572 -14.359 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.742 -13.216 -13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.305 -11.727 -13.809 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.659 -12.292 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 23 28.027 -11.428 -11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.855 -10.119 -10.577 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.808 -9.444 -11.884 1.00 0.00 H new ATOM 366 N ILE A 24 23.914 -13.766 -13.668 1.00 0.00 N ATOM 367 CA ILE A 24 22.864 -14.722 -13.383 1.00 0.00 C ATOM 368 C ILE A 24 23.276 -15.527 -12.162 1.00 0.00 C ATOM 369 O ILE A 24 24.407 -16.036 -12.066 1.00 0.00 O ATOM 370 CB ILE A 24 22.647 -15.757 -14.552 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.232 -15.085 -15.858 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.600 -16.789 -14.147 1.00 0.00 C ATOM 373 CD1 ILE A 24 23.394 -14.605 -16.682 1.00 0.00 C ATOM 0 H ILE A 24 24.427 -13.942 -14.532 1.00 0.00 H new ATOM 0 HA ILE A 24 21.943 -14.157 -13.238 1.00 0.00 H new ATOM 0 HB ILE A 24 23.604 -16.247 -14.729 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.644 -15.788 -16.448 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.583 -14.239 -15.632 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.456 -17.500 -14.961 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.937 -17.320 -13.257 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.657 -16.286 -13.934 1.00 0.00 H new ATOM 0 HD11 ILE A 24 23.024 -14.138 -17.595 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.970 -13.877 -16.110 1.00 0.00 H new ATOM 0 HD13 ILE A 24 24.032 -15.451 -16.939 1.00 0.00 H new ATOM 385 N GLY A 25 22.350 -15.655 -11.218 1.00 0.00 N ATOM 386 CA GLY A 25 22.671 -16.368 -9.995 1.00 0.00 C ATOM 387 C GLY A 25 22.950 -15.471 -8.802 1.00 0.00 C ATOM 388 O GLY A 25 23.566 -15.896 -7.845 1.00 0.00 O ATOM 0 H GLY A 25 21.401 -15.286 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.843 -17.033 -9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.543 -16.997 -10.173 1.00 0.00 H new ATOM 392 N THR A 26 22.465 -14.228 -8.849 1.00 0.00 N ATOM 393 CA THR A 26 22.672 -13.308 -7.748 1.00 0.00 C ATOM 394 C THR A 26 21.362 -13.047 -7.046 1.00 0.00 C ATOM 395 O THR A 26 20.354 -12.722 -7.672 1.00 0.00 O ATOM 396 CB THR A 26 23.252 -11.978 -8.207 1.00 0.00 C ATOM 397 OG1 THR A 26 24.487 -12.232 -8.887 1.00 0.00 O ATOM 398 CG2 THR A 26 23.532 -11.077 -6.997 1.00 0.00 C ATOM 0 H THR A 26 21.933 -13.846 -9.631 1.00 0.00 H new ATOM 0 HA THR A 26 23.387 -13.776 -7.071 1.00 0.00 H new ATOM 0 HB THR A 26 22.541 -11.481 -8.867 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.312 -12.379 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.947 -10.128 -7.338 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.603 -10.894 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.245 -11.568 -6.335 1.00 0.00 H new ATOM 406 N TYR A 27 21.393 -13.183 -5.756 1.00 0.00 N ATOM 407 CA TYR A 27 20.206 -13.055 -4.926 1.00 0.00 C ATOM 408 C TYR A 27 20.153 -11.674 -4.256 1.00 0.00 C ATOM 409 O TYR A 27 21.130 -11.209 -3.673 1.00 0.00 O ATOM 410 CB TYR A 27 20.238 -14.158 -3.828 1.00 0.00 C ATOM 411 CG TYR A 27 19.933 -15.585 -4.306 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.785 -16.255 -5.166 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.794 -16.268 -3.850 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.501 -17.561 -5.590 1.00 0.00 C ATOM 415 CE2 TYR A 27 18.514 -17.561 -4.261 1.00 0.00 C ATOM 416 CZ TYR A 27 19.363 -18.201 -5.132 1.00 0.00 C ATOM 417 OH TYR A 27 19.068 -19.492 -5.571 1.00 0.00 O ATOM 0 H TYR A 27 22.244 -13.388 -5.233 1.00 0.00 H new ATOM 0 HA TYR A 27 19.323 -13.168 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.224 -14.153 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.519 -13.893 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.682 -15.765 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 27 18.122 -15.775 -3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 27 21.169 -18.066 -6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.631 -18.065 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 27 18.235 -19.797 -5.154 1.00 0.00 H new ATOM 427 N LEU A 28 19.000 -11.063 -4.315 1.00 0.00 N ATOM 428 CA LEU A 28 18.773 -9.764 -3.683 1.00 0.00 C ATOM 429 C LEU A 28 17.899 -9.856 -2.452 1.00 0.00 C ATOM 430 O LEU A 28 16.952 -10.658 -2.379 1.00 0.00 O ATOM 431 CB LEU A 28 18.213 -8.702 -4.639 1.00 0.00 C ATOM 432 CG LEU A 28 19.175 -8.111 -5.647 1.00 0.00 C ATOM 433 CD1 LEU A 28 18.405 -7.316 -6.675 1.00 0.00 C ATOM 434 CD2 LEU A 28 20.129 -7.174 -4.943 1.00 0.00 C ATOM 0 H LEU A 28 18.185 -11.440 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 28 19.768 -9.439 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.379 -9.143 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.807 -7.887 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 28 19.725 -8.919 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.099 -6.891 -7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.700 -7.970 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.860 -6.512 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.822 -6.748 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.566 -6.372 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.688 -7.725 -4.187 1.00 0.00 H new ATOM 446 N ASN A 29 18.219 -9.004 -1.483 1.00 0.00 N ATOM 447 CA ASN A 29 17.607 -9.018 -0.199 1.00 0.00 C ATOM 448 C ASN A 29 16.452 -8.033 -0.209 1.00 0.00 C ATOM 449 O ASN A 29 16.632 -6.848 0.014 1.00 0.00 O ATOM 450 CB ASN A 29 18.662 -8.565 0.835 1.00 0.00 C ATOM 451 CG ASN A 29 18.175 -8.725 2.269 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.391 -9.595 2.558 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.672 -7.886 3.169 1.00 0.00 N ATOM 0 H ASN A 29 18.927 -8.278 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 29 17.239 -10.013 0.052 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.574 -9.145 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.918 -7.521 0.655 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.393 -7.963 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 29 19.333 -7.164 2.883 1.00 0.00 H new ATOM 460 N TYR A 30 15.306 -8.557 -0.482 1.00 0.00 N ATOM 461 CA TYR A 30 14.075 -7.800 -0.503 1.00 0.00 C ATOM 462 C TYR A 30 13.223 -8.108 0.712 1.00 0.00 C ATOM 463 O TYR A 30 13.014 -9.268 1.068 1.00 0.00 O ATOM 464 CB TYR A 30 13.302 -8.058 -1.784 1.00 0.00 C ATOM 465 CG TYR A 30 13.745 -7.314 -3.017 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.972 -7.530 -3.656 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.852 -6.404 -3.599 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.272 -6.842 -4.814 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.152 -5.727 -4.746 1.00 0.00 C ATOM 470 CZ TYR A 30 14.351 -5.939 -5.353 1.00 0.00 C ATOM 471 OH TYR A 30 14.661 -5.268 -6.501 1.00 0.00 O ATOM 0 H TYR A 30 15.183 -9.545 -0.703 1.00 0.00 H new ATOM 0 HA TYR A 30 14.334 -6.742 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.350 -9.126 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.255 -7.816 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.681 -8.233 -3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.897 -6.233 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.221 -7.002 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.444 -5.029 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 30 13.917 -4.679 -6.747 1.00 0.00 H new ATOM 481 N GLU A 31 12.725 -7.068 1.336 1.00 0.00 N ATOM 482 CA GLU A 31 11.859 -7.213 2.521 1.00 0.00 C ATOM 483 C GLU A 31 10.523 -6.494 2.310 1.00 0.00 C ATOM 484 O GLU A 31 10.494 -5.415 1.723 1.00 0.00 O ATOM 485 CB GLU A 31 12.580 -6.650 3.751 1.00 0.00 C ATOM 486 CG GLU A 31 11.808 -6.808 5.044 1.00 0.00 C ATOM 487 CD GLU A 31 12.562 -6.267 6.255 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.567 -5.550 6.062 1.00 0.00 O ATOM 489 OE2 GLU A 31 12.169 -6.592 7.403 1.00 0.00 O ATOM 0 H GLU A 31 12.895 -6.102 1.056 1.00 0.00 H new ATOM 0 HA GLU A 31 11.649 -8.271 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.545 -7.147 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.782 -5.591 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.852 -6.291 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.586 -7.863 5.202 1.00 0.00 H new ATOM 496 N CYS A 32 9.431 -7.076 2.821 1.00 0.00 N ATOM 497 CA CYS A 32 8.139 -6.427 2.712 1.00 0.00 C ATOM 498 C CYS A 32 7.904 -5.483 3.878 1.00 0.00 C ATOM 499 O CYS A 32 8.354 -5.737 4.975 1.00 0.00 O ATOM 500 CB CYS A 32 6.936 -7.402 2.675 1.00 0.00 C ATOM 501 SG CYS A 32 6.762 -8.519 1.253 1.00 0.00 S ATOM 0 H CYS A 32 9.424 -7.975 3.302 1.00 0.00 H new ATOM 0 HA CYS A 32 8.186 -5.898 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.981 -8.016 3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.026 -6.806 2.741 1.00 0.00 H new ATOM 506 N ARG A 33 7.181 -4.408 3.633 1.00 0.00 N ATOM 507 CA ARG A 33 6.790 -3.525 4.687 1.00 0.00 C ATOM 508 C ARG A 33 5.477 -4.050 5.373 1.00 0.00 C ATOM 509 O ARG A 33 4.905 -5.033 4.887 1.00 0.00 O ATOM 510 CB ARG A 33 6.743 -2.061 4.189 1.00 0.00 C ATOM 511 CG ARG A 33 6.095 -1.778 2.835 1.00 0.00 C ATOM 512 CD ARG A 33 6.203 -0.298 2.587 1.00 0.00 C ATOM 513 NE ARG A 33 5.602 0.178 1.326 1.00 0.00 N ATOM 514 CZ ARG A 33 4.407 0.805 1.263 1.00 0.00 C ATOM 515 NH1 ARG A 33 3.545 0.733 2.282 1.00 0.00 N ATOM 516 NH2 ARG A 33 4.078 1.513 0.174 1.00 0.00 N ATOM 0 H ARG A 33 6.857 -4.134 2.706 1.00 0.00 H new ATOM 0 HA ARG A 33 7.541 -3.518 5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.217 -1.471 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.767 -1.689 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.596 -2.337 2.045 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.051 -2.092 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.730 0.228 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.257 -0.022 2.594 1.00 0.00 H new ATOM 0 HE ARG A 33 6.115 0.026 0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.787 0.201 3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.645 1.210 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.730 1.579 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.176 1.986 0.127 1.00 0.00 H new ATOM 530 N PRO A 34 4.979 -3.439 6.486 1.00 0.00 N ATOM 531 CA PRO A 34 3.874 -4.029 7.246 1.00 0.00 C ATOM 532 C PRO A 34 2.506 -3.988 6.554 1.00 0.00 C ATOM 533 O PRO A 34 2.233 -3.119 5.727 1.00 0.00 O ATOM 534 CB PRO A 34 3.873 -3.240 8.546 1.00 0.00 C ATOM 535 CG PRO A 34 4.361 -1.895 8.155 1.00 0.00 C ATOM 536 CD PRO A 34 5.358 -2.117 7.036 1.00 0.00 C ATOM 0 HA PRO A 34 4.030 -5.100 7.376 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.875 -3.191 8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.523 -3.699 9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.537 -1.263 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.830 -1.390 9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.292 -1.335 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.383 -2.116 7.407 1.00 0.00 H new ATOM 544 N GLY A 35 1.648 -4.953 6.922 1.00 0.00 N ATOM 545 CA GLY A 35 0.307 -5.034 6.386 1.00 0.00 C ATOM 546 C GLY A 35 0.247 -5.743 5.062 1.00 0.00 C ATOM 547 O GLY A 35 -0.748 -5.636 4.345 1.00 0.00 O ATOM 0 H GLY A 35 1.875 -5.686 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.333 -5.553 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.094 -4.027 6.272 1.00 0.00 H new ATOM 551 N TYR A 36 1.315 -6.430 4.705 1.00 0.00 N ATOM 552 CA TYR A 36 1.339 -7.209 3.493 1.00 0.00 C ATOM 553 C TYR A 36 1.286 -8.695 3.775 1.00 0.00 C ATOM 554 O TYR A 36 2.046 -9.220 4.589 1.00 0.00 O ATOM 555 CB TYR A 36 2.513 -6.837 2.598 1.00 0.00 C ATOM 556 CG TYR A 36 2.387 -5.451 1.990 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.716 -5.269 0.791 1.00 0.00 C ATOM 558 CD2 TYR A 36 2.920 -4.335 2.616 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.581 -4.011 0.225 1.00 0.00 C ATOM 560 CE2 TYR A 36 2.790 -3.075 2.063 1.00 0.00 C ATOM 561 CZ TYR A 36 2.117 -2.919 0.859 1.00 0.00 C ATOM 562 OH TYR A 36 1.969 -1.649 0.287 1.00 0.00 O ATOM 0 H TYR A 36 2.180 -6.461 5.244 1.00 0.00 H new ATOM 0 HA TYR A 36 0.433 -6.961 2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.434 -6.890 3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.598 -7.572 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.290 -6.124 0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.446 -4.452 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.056 -3.891 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.210 -2.216 2.565 1.00 0.00 H new ATOM 0 HH TYR A 36 1.945 -0.972 0.995 1.00 0.00 H new ATOM 572 N SER A 37 0.366 -9.357 3.069 1.00 0.00 N ATOM 573 CA SER A 37 0.081 -10.789 3.272 1.00 0.00 C ATOM 574 C SER A 37 1.293 -11.660 2.958 1.00 0.00 C ATOM 575 O SER A 37 1.628 -12.562 3.708 1.00 0.00 O ATOM 576 CB SER A 37 -1.136 -11.189 2.394 1.00 0.00 C ATOM 577 OG SER A 37 -1.496 -12.545 2.574 1.00 0.00 O ATOM 0 H SER A 37 -0.203 -8.922 2.342 1.00 0.00 H new ATOM 0 HA SER A 37 -0.155 -10.954 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.986 -10.552 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.900 -11.013 1.345 1.00 0.00 H new ATOM 0 HG SER A 37 -2.266 -12.757 2.006 1.00 0.00 H new ATOM 583 N GLY A 38 1.958 -11.336 1.856 1.00 0.00 N ATOM 584 CA GLY A 38 3.093 -12.117 1.408 1.00 0.00 C ATOM 585 C GLY A 38 4.329 -11.911 2.254 1.00 0.00 C ATOM 586 O GLY A 38 4.505 -10.853 2.875 1.00 0.00 O ATOM 0 H GLY A 38 1.728 -10.540 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.826 -13.174 1.418 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.320 -11.856 0.374 1.00 0.00 H new ATOM 590 N ARG A 39 5.152 -12.958 2.320 1.00 0.00 N ATOM 591 CA ARG A 39 6.427 -12.914 2.980 1.00 0.00 C ATOM 592 C ARG A 39 7.511 -12.847 1.904 1.00 0.00 C ATOM 593 O ARG A 39 7.373 -13.459 0.855 1.00 0.00 O ATOM 594 CB ARG A 39 6.606 -14.153 3.886 1.00 0.00 C ATOM 595 CG ARG A 39 5.599 -14.268 5.040 1.00 0.00 C ATOM 596 CD ARG A 39 5.787 -13.175 6.086 1.00 0.00 C ATOM 597 NE ARG A 39 5.201 -11.900 5.681 1.00 0.00 N ATOM 598 CZ ARG A 39 5.397 -10.748 6.304 1.00 0.00 C ATOM 599 NH1 ARG A 39 6.276 -10.662 7.291 1.00 0.00 N ATOM 600 NH2 ARG A 39 4.713 -9.669 5.924 1.00 0.00 N ATOM 0 H ARG A 39 4.935 -13.865 1.907 1.00 0.00 H new ATOM 0 HA ARG A 39 6.497 -12.036 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.532 -15.049 3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.613 -14.136 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.586 -14.215 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.704 -15.244 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.336 -13.495 7.025 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.852 -13.037 6.274 1.00 0.00 H new ATOM 0 HE ARG A 39 4.597 -11.897 4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.806 -11.486 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.423 -9.772 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.043 -9.734 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.859 -8.779 6.400 1.00 0.00 H new ATOM 614 N PRO A 40 8.568 -12.086 2.126 1.00 0.00 N ATOM 615 CA PRO A 40 9.575 -11.806 1.110 1.00 0.00 C ATOM 616 C PRO A 40 10.463 -13.006 0.717 1.00 0.00 C ATOM 617 O PRO A 40 10.729 -13.880 1.511 1.00 0.00 O ATOM 618 CB PRO A 40 10.414 -10.702 1.760 1.00 0.00 C ATOM 619 CG PRO A 40 10.333 -10.998 3.206 1.00 0.00 C ATOM 620 CD PRO A 40 8.932 -11.506 3.432 1.00 0.00 C ATOM 0 HA PRO A 40 9.104 -11.535 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.444 -10.722 1.405 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.018 -9.713 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.073 -11.744 3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.528 -10.106 3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.897 -12.251 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.254 -10.702 3.719 1.00 0.00 H new ATOM 628 N PHE A 41 10.890 -12.994 -0.539 1.00 0.00 N ATOM 629 CA PHE A 41 11.825 -13.973 -1.099 1.00 0.00 C ATOM 630 C PHE A 41 12.917 -13.259 -1.876 1.00 0.00 C ATOM 631 O PHE A 41 12.719 -12.161 -2.366 1.00 0.00 O ATOM 632 CB PHE A 41 11.132 -14.983 -2.001 1.00 0.00 C ATOM 633 CG PHE A 41 10.138 -15.845 -1.292 1.00 0.00 C ATOM 634 CD1 PHE A 41 10.572 -16.887 -0.480 1.00 0.00 C ATOM 635 CD2 PHE A 41 8.802 -15.608 -1.428 1.00 0.00 C ATOM 636 CE1 PHE A 41 9.656 -17.681 0.182 1.00 0.00 C ATOM 637 CE2 PHE A 41 7.879 -16.403 -0.765 1.00 0.00 C ATOM 638 CZ PHE A 41 8.310 -17.439 0.042 1.00 0.00 C ATOM 0 H PHE A 41 10.592 -12.290 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 41 12.259 -14.522 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.627 -14.450 -2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.886 -15.620 -2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.629 -17.076 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.461 -14.797 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.997 -18.491 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.822 -16.212 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.592 -18.056 0.561 1.00 0.00 H new ATOM 648 N SER A 42 14.048 -13.862 -1.996 1.00 0.00 N ATOM 649 CA SER A 42 15.126 -13.273 -2.748 1.00 0.00 C ATOM 650 C SER A 42 14.832 -13.332 -4.268 1.00 0.00 C ATOM 651 O SER A 42 14.092 -14.195 -4.731 1.00 0.00 O ATOM 652 CB SER A 42 16.419 -14.032 -2.451 1.00 0.00 C ATOM 653 OG SER A 42 16.729 -13.934 -1.079 1.00 0.00 O ATOM 0 H SER A 42 14.262 -14.770 -1.584 1.00 0.00 H new ATOM 0 HA SER A 42 15.228 -12.228 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.310 -15.079 -2.734 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.235 -13.624 -3.047 1.00 0.00 H new ATOM 0 HG SER A 42 17.558 -14.424 -0.895 1.00 0.00 H new ATOM 659 N ILE A 43 15.410 -12.409 -5.035 1.00 0.00 N ATOM 660 CA ILE A 43 15.294 -12.472 -6.485 1.00 0.00 C ATOM 661 C ILE A 43 16.651 -12.634 -7.174 1.00 0.00 C ATOM 662 O ILE A 43 17.671 -12.166 -6.698 1.00 0.00 O ATOM 663 CB ILE A 43 14.538 -11.282 -7.088 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.200 -9.943 -6.764 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.062 -11.298 -6.701 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.591 -8.781 -7.522 1.00 0.00 C ATOM 0 H ILE A 43 15.954 -11.622 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 43 14.701 -13.366 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 43 14.590 -11.395 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.119 -9.754 -5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.263 -10.004 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.560 -10.440 -7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.601 -12.217 -7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.970 -11.249 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.104 -7.859 -7.248 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.696 -8.951 -8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.534 -8.696 -7.270 1.00 0.00 H new ATOM 678 N ILE A 44 16.613 -13.401 -8.250 1.00 0.00 N ATOM 679 CA ILE A 44 17.799 -13.858 -8.981 1.00 0.00 C ATOM 680 C ILE A 44 17.556 -13.707 -10.501 1.00 0.00 C ATOM 681 O ILE A 44 16.438 -13.963 -10.913 1.00 0.00 O ATOM 682 CB ILE A 44 18.075 -15.351 -8.639 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.849 -15.604 -7.143 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.512 -15.708 -8.956 1.00 0.00 C ATOM 685 CD1 ILE A 44 16.451 -16.087 -6.797 1.00 0.00 C ATOM 0 H ILE A 44 15.739 -13.735 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 44 18.661 -13.257 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 44 17.395 -15.960 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.572 -16.343 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.049 -14.683 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.689 -16.755 -8.711 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.702 -15.546 -10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.181 -15.080 -8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.375 -16.242 -5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.721 -15.340 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.252 -17.026 -7.313 1.00 0.00 H new ATOM 697 N CYS A 45 18.578 -13.289 -11.339 1.00 0.00 N ATOM 698 CA CYS A 45 18.311 -13.110 -12.819 1.00 0.00 C ATOM 699 C CYS A 45 18.062 -14.483 -13.546 1.00 0.00 C ATOM 700 O CYS A 45 18.654 -14.759 -14.589 1.00 0.00 O ATOM 701 CB CYS A 45 19.433 -12.477 -13.664 1.00 0.00 C ATOM 702 SG CYS A 45 20.728 -11.372 -13.050 1.00 0.00 S ATOM 0 H CYS A 45 19.531 -13.083 -11.040 1.00 0.00 H new ATOM 0 HA CYS A 45 17.451 -12.442 -12.781 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.955 -13.311 -14.134 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.929 -11.928 -14.459 1.00 0.00 H new ATOM 707 N LEU A 46 17.226 -15.310 -12.981 1.00 0.00 N ATOM 708 CA LEU A 46 17.005 -16.671 -13.469 1.00 0.00 C ATOM 709 C LEU A 46 16.414 -16.697 -14.881 1.00 0.00 C ATOM 710 O LEU A 46 16.815 -17.482 -15.729 1.00 0.00 O ATOM 711 CB LEU A 46 16.081 -17.451 -12.548 1.00 0.00 C ATOM 712 CG LEU A 46 16.634 -17.739 -11.159 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.620 -18.472 -10.279 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.960 -18.469 -11.213 1.00 0.00 C ATOM 0 H LEU A 46 16.668 -15.070 -12.162 1.00 0.00 H new ATOM 0 HA LEU A 46 17.989 -17.139 -13.489 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.149 -16.896 -12.442 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.835 -18.399 -13.026 1.00 0.00 H new ATOM 0 HG LEU A 46 16.823 -16.772 -10.692 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.057 -18.657 -9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.725 -17.860 -10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.355 -19.422 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.316 -18.653 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.831 -19.420 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.689 -17.860 -11.748 1.00 0.00 H new ATOM 726 N LYS A 47 15.447 -15.816 -15.127 1.00 0.00 N ATOM 727 CA LYS A 47 14.775 -15.822 -16.414 1.00 0.00 C ATOM 728 C LYS A 47 15.236 -14.759 -17.348 1.00 0.00 C ATOM 729 O LYS A 47 15.145 -13.582 -17.039 1.00 0.00 O ATOM 730 CB LYS A 47 13.271 -15.810 -16.242 1.00 0.00 C ATOM 731 CG LYS A 47 12.550 -15.745 -17.555 1.00 0.00 C ATOM 732 CD LYS A 47 11.134 -16.146 -17.379 1.00 0.00 C ATOM 733 CE LYS A 47 11.209 -17.654 -17.164 1.00 0.00 C ATOM 734 NZ LYS A 47 9.897 -18.340 -17.184 1.00 0.00 N ATOM 0 H LYS A 47 15.121 -15.108 -14.469 1.00 0.00 H new ATOM 0 HA LYS A 47 15.060 -16.758 -16.894 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.962 -16.706 -15.704 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.984 -14.955 -15.629 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.602 -14.733 -17.958 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.035 -16.401 -18.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.678 -15.642 -16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.535 -15.896 -18.255 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.844 -18.088 -17.936 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.693 -17.849 -16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.036 -19.359 -17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.293 -17.956 -16.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.440 -18.187 -18.105 1.00 0.00 H new ATOM 748 N ASN A 48 15.740 -15.202 -18.517 1.00 0.00 N ATOM 749 CA ASN A 48 16.267 -14.293 -19.536 1.00 0.00 C ATOM 750 C ASN A 48 17.332 -13.405 -18.954 1.00 0.00 C ATOM 751 O ASN A 48 17.493 -12.275 -19.392 1.00 0.00 O ATOM 752 CB ASN A 48 15.143 -13.434 -20.163 1.00 0.00 C ATOM 753 CG ASN A 48 14.242 -14.218 -21.062 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.796 -15.185 -21.757 1.00 0.00 O flip ATOM 755 ND2 ASN A 48 13.062 -13.926 -21.185 1.00 0.00 N flip ATOM 0 H ASN A 48 15.790 -16.188 -18.773 1.00 0.00 H new ATOM 0 HA ASN A 48 16.707 -14.903 -20.325 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.550 -12.983 -19.367 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.590 -12.617 -20.729 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.663 -13.169 -20.629 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.476 -14.439 -21.843 1.00 0.00 H new ATOM 762 N SER A 49 18.098 -13.960 -18.009 1.00 0.00 N ATOM 763 CA SER A 49 19.099 -13.200 -17.298 1.00 0.00 C ATOM 764 C SER A 49 18.492 -11.932 -16.694 1.00 0.00 C ATOM 765 O SER A 49 19.211 -10.967 -16.440 1.00 0.00 O ATOM 766 CB SER A 49 20.279 -12.835 -18.234 1.00 0.00 C ATOM 767 OG SER A 49 20.666 -13.951 -19.020 1.00 0.00 O ATOM 0 H SER A 49 18.034 -14.938 -17.727 1.00 0.00 H new ATOM 0 HA SER A 49 19.479 -13.822 -16.487 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.990 -12.010 -18.885 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.126 -12.492 -17.641 1.00 0.00 H new ATOM 0 HG SER A 49 21.411 -13.697 -19.604 1.00 0.00 H new ATOM 773 N VAL A 50 17.153 -11.942 -16.469 1.00 0.00 N ATOM 774 CA VAL A 50 16.487 -10.796 -15.881 1.00 0.00 C ATOM 775 C VAL A 50 16.217 -11.038 -14.415 1.00 0.00 C ATOM 776 O VAL A 50 17.012 -10.660 -13.600 1.00 0.00 O ATOM 777 CB VAL A 50 15.149 -10.463 -16.598 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.444 -9.291 -15.903 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.395 -10.149 -18.046 1.00 0.00 C ATOM 0 H VAL A 50 16.539 -12.726 -16.688 1.00 0.00 H new ATOM 0 HA VAL A 50 17.158 -9.945 -16.001 1.00 0.00 H new ATOM 0 HB VAL A 50 14.499 -11.336 -16.541 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.509 -9.072 -16.418 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.234 -9.556 -14.867 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.088 -8.412 -15.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.448 -9.918 -18.534 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.062 -9.291 -18.124 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.853 -11.010 -18.532 1.00 0.00 H new ATOM 789 N TRP A 51 15.108 -11.743 -14.099 1.00 0.00 N ATOM 790 CA TRP A 51 14.737 -12.054 -12.714 1.00 0.00 C ATOM 791 C TRP A 51 13.851 -13.276 -12.619 1.00 0.00 C ATOM 792 O TRP A 51 13.404 -13.814 -13.625 1.00 0.00 O ATOM 793 CB TRP A 51 14.127 -10.871 -11.966 1.00 0.00 C ATOM 794 CG TRP A 51 15.107 -9.766 -11.786 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.157 -8.613 -12.481 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.218 -9.733 -10.874 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.244 -7.884 -12.095 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.887 -8.543 -11.099 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.696 -10.600 -9.908 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.033 -8.185 -10.377 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.826 -10.246 -9.190 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.479 -9.043 -9.433 1.00 0.00 C ATOM 0 H TRP A 51 14.456 -12.106 -14.794 1.00 0.00 H new ATOM 0 HA TRP A 51 15.677 -12.283 -12.212 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.260 -10.502 -12.514 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.770 -11.203 -10.991 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.443 -8.310 -13.232 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.527 -6.988 -12.492 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.196 -11.538 -9.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.544 -7.253 -10.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.205 -10.914 -8.431 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.357 -8.790 -8.858 1.00 0.00 H new ATOM 813 N THR A 52 13.639 -13.716 -11.404 1.00 0.00 N ATOM 814 CA THR A 52 12.761 -14.827 -11.147 1.00 0.00 C ATOM 815 C THR A 52 11.315 -14.410 -11.507 1.00 0.00 C ATOM 816 O THR A 52 10.486 -15.227 -11.913 1.00 0.00 O ATOM 817 CB THR A 52 12.847 -15.236 -9.682 1.00 0.00 C ATOM 818 OG1 THR A 52 12.425 -14.148 -8.831 1.00 0.00 O ATOM 819 CG2 THR A 52 14.279 -15.528 -9.370 1.00 0.00 C ATOM 0 H THR A 52 14.068 -13.316 -10.570 1.00 0.00 H new ATOM 0 HA THR A 52 13.057 -15.681 -11.755 1.00 0.00 H new ATOM 0 HB THR A 52 12.208 -16.102 -9.510 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.484 -14.425 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.371 -15.824 -8.325 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.633 -16.337 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.879 -14.636 -9.548 1.00 0.00 H new ATOM 827 N GLY A 53 11.050 -13.120 -11.304 1.00 0.00 N ATOM 828 CA GLY A 53 9.767 -12.503 -11.650 1.00 0.00 C ATOM 829 C GLY A 53 9.320 -11.483 -10.618 1.00 0.00 C ATOM 830 O GLY A 53 8.615 -10.538 -10.943 1.00 0.00 O ATOM 0 H GLY A 53 11.720 -12.470 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.850 -12.019 -12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.007 -13.279 -11.743 1.00 0.00 H new ATOM 834 N ALA A 54 9.775 -11.668 -9.363 1.00 0.00 N ATOM 835 CA ALA A 54 9.487 -10.709 -8.256 1.00 0.00 C ATOM 836 C ALA A 54 7.989 -10.303 -8.152 1.00 0.00 C ATOM 837 O ALA A 54 7.664 -9.199 -7.761 1.00 0.00 O ATOM 838 CB ALA A 54 10.352 -9.463 -8.431 1.00 0.00 C ATOM 0 H ALA A 54 10.343 -12.468 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 54 9.727 -11.222 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.145 -8.760 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.405 -9.744 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.125 -8.994 -9.388 1.00 0.00 H new ATOM 844 N LYS A 55 7.109 -11.219 -8.478 1.00 0.00 N ATOM 845 CA LYS A 55 5.687 -10.981 -8.463 1.00 0.00 C ATOM 846 C LYS A 55 4.989 -11.453 -7.177 1.00 0.00 C ATOM 847 O LYS A 55 5.444 -12.388 -6.513 1.00 0.00 O ATOM 848 CB LYS A 55 5.036 -11.617 -9.647 1.00 0.00 C ATOM 849 CG LYS A 55 3.570 -11.370 -9.637 1.00 0.00 C ATOM 850 CD LYS A 55 2.882 -11.977 -10.788 1.00 0.00 C ATOM 851 CE LYS A 55 1.452 -11.654 -10.678 1.00 0.00 C ATOM 852 NZ LYS A 55 0.662 -12.186 -11.795 1.00 0.00 N ATOM 0 H LYS A 55 7.365 -12.164 -8.765 1.00 0.00 H new ATOM 0 HA LYS A 55 5.571 -9.898 -8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.470 -11.219 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.229 -12.690 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.145 -11.767 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.387 -10.295 -9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.290 -11.593 -11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.030 -13.057 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.065 -12.055 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.331 -10.572 -10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.338 -11.929 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.011 -11.785 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.753 -13.222 -11.822 1.00 0.00 H new ATOM 866 N ASP A 56 3.919 -10.716 -6.812 1.00 0.00 N ATOM 867 CA ASP A 56 3.040 -11.012 -5.653 1.00 0.00 C ATOM 868 C ASP A 56 3.817 -11.199 -4.404 1.00 0.00 C ATOM 869 O ASP A 56 3.446 -11.949 -3.500 1.00 0.00 O ATOM 870 CB ASP A 56 1.997 -12.166 -5.905 1.00 0.00 C ATOM 871 CG ASP A 56 2.593 -13.572 -6.116 1.00 0.00 C ATOM 872 OD1 ASP A 56 3.023 -13.895 -7.263 1.00 0.00 O ATOM 873 OD2 ASP A 56 2.576 -14.356 -5.153 1.00 0.00 O ATOM 0 H ASP A 56 3.633 -9.881 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 56 2.426 -10.121 -5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.314 -12.205 -5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.402 -11.908 -6.781 1.00 0.00 H new ATOM 878 N ARG A 57 4.886 -10.455 -4.340 1.00 0.00 N ATOM 879 CA ARG A 57 5.795 -10.519 -3.221 1.00 0.00 C ATOM 880 C ARG A 57 5.127 -10.074 -1.941 1.00 0.00 C ATOM 881 O ARG A 57 5.330 -10.678 -0.874 1.00 0.00 O ATOM 882 CB ARG A 57 6.951 -9.572 -3.505 1.00 0.00 C ATOM 883 CG ARG A 57 7.871 -10.014 -4.609 1.00 0.00 C ATOM 884 CD ARG A 57 8.550 -11.263 -4.189 1.00 0.00 C ATOM 885 NE ARG A 57 9.247 -11.026 -2.952 1.00 0.00 N ATOM 886 CZ ARG A 57 10.473 -10.523 -2.847 1.00 0.00 C ATOM 887 NH1 ARG A 57 11.253 -10.415 -3.920 1.00 0.00 N ATOM 888 NH2 ARG A 57 10.935 -10.143 -1.651 1.00 0.00 N ATOM 0 H ARG A 57 5.155 -9.785 -5.061 1.00 0.00 H new ATOM 0 HA ARG A 57 6.129 -11.549 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.546 -8.592 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.534 -9.449 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.307 -10.180 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.606 -9.238 -4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.821 -12.063 -4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.250 -11.588 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 57 8.761 -11.263 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.911 -10.719 -4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.192 -10.028 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.347 -10.240 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.875 -9.757 -1.567 1.00 0.00 H new ATOM 902 N CYS A 58 4.348 -9.002 -2.028 1.00 0.00 N ATOM 903 CA CYS A 58 3.650 -8.487 -0.872 1.00 0.00 C ATOM 904 C CYS A 58 2.226 -8.158 -1.317 1.00 0.00 C ATOM 905 O CYS A 58 2.015 -7.780 -2.471 1.00 0.00 O ATOM 906 CB CYS A 58 4.336 -7.208 -0.351 1.00 0.00 C ATOM 907 SG CYS A 58 6.198 -7.256 -0.259 1.00 0.00 S ATOM 0 H CYS A 58 4.189 -8.478 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 58 3.655 -9.222 -0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.045 -6.377 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.949 -6.992 0.645 1.00 0.00 H new ATOM 912 N ARG A 59 1.270 -8.273 -0.441 1.00 0.00 N ATOM 913 CA ARG A 59 -0.085 -8.018 -0.852 1.00 0.00 C ATOM 914 C ARG A 59 -0.798 -7.072 0.134 1.00 0.00 C ATOM 915 O ARG A 59 -0.646 -7.199 1.343 1.00 0.00 O ATOM 916 CB ARG A 59 -0.811 -9.343 -0.890 1.00 0.00 C ATOM 917 CG ARG A 59 -0.259 -10.324 -1.888 1.00 0.00 C ATOM 918 CD ARG A 59 -0.957 -11.654 -1.769 1.00 0.00 C ATOM 919 NE ARG A 59 -2.362 -11.600 -2.152 1.00 0.00 N ATOM 920 CZ ARG A 59 -3.300 -12.503 -1.808 1.00 0.00 C ATOM 921 NH1 ARG A 59 -3.083 -13.339 -0.801 1.00 0.00 N ATOM 922 NH2 ARG A 59 -4.481 -12.512 -2.430 1.00 0.00 N ATOM 0 H ARG A 59 1.394 -8.534 0.537 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.084 -7.539 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.774 -9.793 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.861 -9.162 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.382 -9.932 -2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.811 -10.453 -1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.444 -12.384 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.881 -12.007 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.660 -10.813 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.204 -13.299 -0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.795 -14.022 -0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.674 -11.834 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.190 -13.197 -2.168 1.00 0.00 H new ATOM 936 N ARG A 60 -1.621 -6.164 -0.387 1.00 0.00 N ATOM 937 CA ARG A 60 -2.391 -5.206 0.426 1.00 0.00 C ATOM 938 C ARG A 60 -3.835 -5.683 0.599 1.00 0.00 C ATOM 939 O ARG A 60 -4.420 -6.288 -0.309 1.00 0.00 O ATOM 940 CB ARG A 60 -2.338 -3.849 -0.256 1.00 0.00 C ATOM 941 CG ARG A 60 -2.997 -3.886 -1.610 1.00 0.00 C ATOM 942 CD ARG A 60 -2.965 -2.557 -2.334 1.00 0.00 C ATOM 943 NE ARG A 60 -1.609 -2.143 -2.676 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.299 -1.003 -3.295 1.00 0.00 C ATOM 945 NH1 ARG A 60 -2.236 -0.305 -3.882 1.00 0.00 N ATOM 946 NH2 ARG A 60 -0.023 -0.612 -3.398 1.00 0.00 N ATOM 0 H ARG A 60 -1.778 -6.066 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.957 -5.129 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.832 -3.106 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.300 -3.535 -0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.503 -4.638 -2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.034 -4.202 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.561 -2.628 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.428 -1.794 -1.708 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.844 -2.769 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.202 -0.633 -3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.001 0.567 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.720 -1.187 -3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.206 0.261 -3.873 1.00 0.00 H new ATOM 960 N LYS A 61 -4.372 -5.475 1.787 1.00 0.00 N ATOM 961 CA LYS A 61 -5.735 -5.872 2.148 1.00 0.00 C ATOM 962 C LYS A 61 -6.778 -4.829 1.757 1.00 0.00 C ATOM 963 O LYS A 61 -6.500 -3.631 1.745 1.00 0.00 O ATOM 964 CB LYS A 61 -5.850 -6.323 3.619 1.00 0.00 C ATOM 965 CG LYS A 61 -6.995 -7.334 3.811 1.00 0.00 C ATOM 966 CD LYS A 61 -8.331 -6.680 3.917 1.00 0.00 C ATOM 967 CE LYS A 61 -9.434 -7.669 3.947 1.00 0.00 C ATOM 968 NZ LYS A 61 -10.755 -7.019 4.101 1.00 0.00 N ATOM 0 H LYS A 61 -3.870 -5.017 2.548 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.964 -6.753 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.909 -6.772 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.020 -5.454 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.002 -8.031 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.810 -7.919 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.366 -6.071 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.472 -6.005 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.422 -8.254 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.274 -8.366 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.439 -7.466 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.082 -7.125 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.673 -6.008 3.871 1.00 0.00 H new ATOM 982 N SER A 62 -7.955 -5.286 1.391 1.00 0.00 N ATOM 983 CA SER A 62 -9.027 -4.412 1.039 1.00 0.00 C ATOM 984 C SER A 62 -9.622 -3.715 2.285 1.00 0.00 C ATOM 985 O SER A 62 -9.767 -4.312 3.349 1.00 0.00 O ATOM 986 CB SER A 62 -10.097 -5.263 0.362 1.00 0.00 C ATOM 987 OG SER A 62 -10.406 -6.414 1.126 1.00 0.00 O ATOM 0 H SER A 62 -8.186 -6.278 1.332 1.00 0.00 H new ATOM 0 HA SER A 62 -8.662 -3.628 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.999 -4.668 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.752 -5.564 -0.627 1.00 0.00 H new ATOM 0 HG SER A 62 -11.096 -6.937 0.666 1.00 0.00 H new ATOM 993 N CYS A 63 -10.080 -2.492 2.082 1.00 0.00 N ATOM 994 CA CYS A 63 -10.728 -1.668 3.132 1.00 0.00 C ATOM 995 C CYS A 63 -12.211 -1.902 3.190 1.00 0.00 C ATOM 996 O CYS A 63 -12.773 -2.544 2.299 1.00 0.00 O ATOM 997 CB CYS A 63 -10.448 -0.166 2.985 1.00 0.00 C ATOM 998 SG CYS A 63 -9.427 0.588 4.318 1.00 0.00 S ATOM 0 H CYS A 63 -10.020 -2.022 1.179 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.277 -1.996 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.948 0.000 2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.401 0.360 2.941 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.845 -1.432 4.249 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.275 -1.575 4.389 1.00 0.00 C ATOM 1005 C ARG A 64 -14.880 -0.253 4.812 1.00 0.00 C ATOM 1006 O ARG A 64 -14.303 0.461 5.608 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.599 -2.669 5.439 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.107 -2.333 6.850 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.651 -2.761 7.098 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.497 -4.227 7.131 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.346 -4.868 7.399 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.231 -4.178 7.612 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.329 -6.195 7.465 1.00 0.00 N ATOM 0 H ARG A 64 -12.388 -0.949 5.022 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.701 -1.872 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.677 -2.825 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.149 -3.610 5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.197 -1.259 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.753 -2.822 7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.015 -2.349 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.307 -2.340 8.043 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.322 -4.795 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.247 -3.159 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.359 -4.667 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.188 -6.724 7.313 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.457 -6.684 7.668 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.042 0.064 4.263 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.783 1.268 4.675 1.00 0.00 C ATOM 1029 C ASN A 65 -18.251 1.026 5.108 1.00 0.00 C ATOM 1030 O ASN A 65 -18.902 1.982 5.472 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.749 2.380 3.618 1.00 0.00 C ATOM 1032 CG ASN A 65 -15.742 3.503 3.917 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -15.206 4.121 3.013 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.500 3.779 5.180 1.00 0.00 N ATOM 0 H ASN A 65 -16.498 -0.485 3.535 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.239 1.589 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.508 1.939 2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.745 2.814 3.531 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.850 4.526 5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.963 3.246 5.916 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.812 -0.263 5.093 1.00 0.00 N ATOM 1042 CA PRO A 66 -20.158 -0.557 5.611 1.00 0.00 C ATOM 1043 C PRO A 66 -20.588 0.200 6.909 1.00 0.00 C ATOM 1044 O PRO A 66 -21.793 0.432 7.101 1.00 0.00 O ATOM 1045 CB PRO A 66 -20.066 -2.049 5.887 1.00 0.00 C ATOM 1046 CG PRO A 66 -19.270 -2.549 4.742 1.00 0.00 C ATOM 1047 CD PRO A 66 -18.233 -1.496 4.485 1.00 0.00 C ATOM 0 HA PRO A 66 -20.916 -0.235 4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.577 -2.254 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -21.051 -2.514 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.807 -3.508 4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.898 -2.703 3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.278 -1.756 4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -18.051 -1.367 3.418 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.648 0.558 7.862 1.00 0.00 N ATOM 1056 CA PRO A 67 -20.033 1.326 9.054 1.00 0.00 C ATOM 1057 C PRO A 67 -20.646 2.680 8.691 1.00 0.00 C ATOM 1058 O PRO A 67 -21.539 3.134 9.385 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.654 1.617 9.743 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.599 1.091 8.822 1.00 0.00 C ATOM 1061 CD PRO A 67 -18.271 0.054 7.978 1.00 0.00 C ATOM 0 HA PRO A 67 -20.764 0.785 9.655 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.523 2.686 9.913 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.597 1.130 10.717 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.186 1.889 8.205 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.770 0.660 9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.794 -0.043 7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.240 -0.929 8.447 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.212 3.243 7.533 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.717 4.532 6.964 1.00 0.00 C ATOM 1071 C ASP A 68 -20.831 5.685 7.993 1.00 0.00 C ATOM 1072 O ASP A 68 -20.753 5.490 9.207 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.079 4.352 6.233 1.00 0.00 C ATOM 1074 CG ASP A 68 -21.932 3.650 4.895 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -21.269 4.218 3.988 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -22.504 2.531 4.740 1.00 0.00 O ATOM 0 H ASP A 68 -19.490 2.812 6.956 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.952 4.823 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.755 3.780 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.537 5.329 6.079 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.924 6.937 7.499 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.236 8.065 8.333 1.00 0.00 C ATOM 1083 C PRO A 69 -22.643 7.891 8.866 1.00 0.00 C ATOM 1084 O PRO A 69 -23.497 7.337 8.177 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.146 9.278 7.422 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.440 8.775 6.218 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.762 7.320 6.107 1.00 0.00 C ATOM 0 HA PRO A 69 -20.564 8.170 9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.135 9.663 7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.597 10.092 7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.764 9.312 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.364 8.927 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.669 7.146 5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.962 6.761 5.621 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.912 8.380 10.064 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.241 8.211 10.655 1.00 0.00 C ATOM 1097 C VAL A 70 -25.326 8.906 9.821 1.00 0.00 C ATOM 1098 O VAL A 70 -26.454 8.454 9.741 1.00 0.00 O ATOM 1099 CB VAL A 70 -24.277 8.718 12.115 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -24.000 10.195 12.167 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -25.605 8.354 12.800 1.00 0.00 C ATOM 0 H VAL A 70 -22.245 8.890 10.643 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.453 7.142 10.658 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.488 8.215 12.674 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.029 10.534 13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -23.014 10.395 11.747 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -24.755 10.727 11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -25.599 8.724 13.825 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -26.432 8.809 12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -25.726 7.271 12.806 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.943 10.018 9.213 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.848 10.785 8.339 1.00 0.00 C ATOM 1113 C ASN A 71 -25.764 10.322 6.868 1.00 0.00 C ATOM 1114 O ASN A 71 -26.477 10.841 6.000 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.532 12.289 8.461 1.00 0.00 C ATOM 1116 CG ASN A 71 -24.099 12.663 8.026 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -23.413 11.888 7.374 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -23.645 13.845 8.429 1.00 0.00 N ATOM 0 H ASN A 71 -24.010 10.419 9.303 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.871 10.603 8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -26.243 12.850 7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.680 12.599 9.496 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -22.695 14.133 8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -24.247 14.465 8.971 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.888 9.349 6.611 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.757 8.750 5.289 1.00 0.00 C ATOM 1127 C GLY A 72 -23.992 9.614 4.312 1.00 0.00 C ATOM 1128 O GLY A 72 -24.046 9.383 3.114 1.00 0.00 O ATOM 0 H GLY A 72 -24.256 8.959 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.254 7.787 5.382 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.751 8.553 4.887 1.00 0.00 H new ATOM 1132 N MET A 73 -23.277 10.593 4.818 1.00 0.00 N ATOM 1133 CA MET A 73 -22.573 11.490 3.967 1.00 0.00 C ATOM 1134 C MET A 73 -21.093 11.129 3.846 1.00 0.00 C ATOM 1135 O MET A 73 -20.236 11.661 4.561 1.00 0.00 O ATOM 1136 CB MET A 73 -22.724 12.913 4.487 1.00 0.00 C ATOM 1137 CG MET A 73 -24.106 13.514 4.376 1.00 0.00 C ATOM 1138 SD MET A 73 -24.134 15.193 4.991 1.00 0.00 S ATOM 1139 CE MET A 73 -25.858 15.627 5.022 1.00 0.00 C ATOM 0 H MET A 73 -23.175 10.778 5.816 1.00 0.00 H new ATOM 0 HA MET A 73 -23.007 11.411 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.425 12.930 5.535 1.00 0.00 H new ATOM 0 HB3 MET A 73 -22.026 13.553 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.429 13.500 3.335 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.816 12.907 4.938 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.970 16.647 5.389 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.269 15.556 4.015 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.393 14.944 5.681 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.811 10.217 2.947 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.457 9.852 2.602 1.00 0.00 C ATOM 1151 C VAL A 74 -19.358 9.642 1.110 1.00 0.00 C ATOM 1152 O VAL A 74 -20.267 9.083 0.493 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.957 8.559 3.314 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.738 7.351 2.874 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.469 8.366 3.100 1.00 0.00 C ATOM 0 H VAL A 74 -21.522 9.702 2.429 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.824 10.674 2.938 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.127 8.680 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.363 6.467 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.792 7.492 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.626 7.217 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.143 7.457 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.263 8.281 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.929 9.221 3.507 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.286 10.093 0.554 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.982 9.878 -0.837 1.00 0.00 C ATOM 1167 C HIS A 75 -16.758 9.003 -0.939 1.00 0.00 C ATOM 1168 O HIS A 75 -15.846 9.140 -0.116 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.717 11.191 -1.598 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.917 12.099 -1.778 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.849 13.300 -2.488 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -20.202 12.010 -1.333 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.016 13.884 -2.478 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.851 13.129 -1.791 1.00 0.00 N ATOM 0 H HIS A 75 -17.578 10.632 1.053 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.852 9.404 -1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.941 11.745 -1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.319 10.945 -2.583 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -20.626 11.215 -0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.257 14.824 -2.951 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.834 13.345 -1.625 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.711 8.140 -1.942 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.571 7.298 -2.113 1.00 0.00 C ATOM 1184 C VAL A 76 -14.963 7.549 -3.509 1.00 0.00 C ATOM 1185 O VAL A 76 -15.664 7.557 -4.524 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.985 5.811 -1.978 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -17.227 5.508 -2.832 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.838 4.921 -2.376 1.00 0.00 C ATOM 0 H VAL A 76 -17.448 8.016 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.832 7.526 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.239 5.614 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.498 4.458 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -18.056 6.134 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.008 5.717 -3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.137 3.877 -2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.562 5.124 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.984 5.116 -1.727 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.648 7.804 -3.516 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.920 8.102 -4.754 1.00 0.00 C ATOM 1200 C ILE A 77 -12.426 6.849 -5.527 1.00 0.00 C ATOM 1201 O ILE A 77 -12.701 6.692 -6.719 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.694 8.956 -4.414 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -12.097 10.269 -3.720 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.874 9.242 -5.660 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.907 11.037 -3.151 1.00 0.00 C ATOM 0 H ILE A 77 -13.067 7.810 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.629 8.618 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.079 8.386 -3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.623 10.903 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.797 10.047 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.009 9.850 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.537 8.302 -6.097 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.487 9.780 -6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.259 11.952 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.394 10.419 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.217 11.289 -3.957 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.720 5.961 -4.816 1.00 0.00 N ATOM 1218 CA LYS A 78 -11.051 4.786 -5.435 1.00 0.00 C ATOM 1219 C LYS A 78 -11.838 3.484 -5.379 1.00 0.00 C ATOM 1220 O LYS A 78 -11.440 2.484 -5.994 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.671 4.601 -4.851 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.742 5.766 -5.108 1.00 0.00 C ATOM 1223 CD LYS A 78 -8.437 5.936 -6.589 1.00 0.00 C ATOM 1224 CE LYS A 78 -7.502 7.128 -6.816 1.00 0.00 C ATOM 1225 NZ LYS A 78 -7.156 7.317 -8.252 1.00 0.00 N ATOM 0 H LYS A 78 -11.591 6.026 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.984 5.023 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.759 4.448 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.228 3.696 -5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.193 6.681 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.811 5.615 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.977 5.027 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.365 6.085 -7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.975 8.034 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.587 6.982 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.522 8.135 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.680 6.464 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.025 7.483 -8.799 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.948 3.484 -4.685 1.00 0.00 N ATOM 1240 CA GLY A 79 -13.694 2.245 -4.564 1.00 0.00 C ATOM 1241 C GLY A 79 -13.287 1.398 -3.366 1.00 0.00 C ATOM 1242 O GLY A 79 -13.407 0.180 -3.393 1.00 0.00 O ATOM 0 H GLY A 79 -13.349 4.292 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.756 2.477 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.559 1.660 -5.474 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.808 2.067 -2.308 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.452 1.428 -1.016 1.00 0.00 C ATOM 1248 C ILE A 80 -11.240 0.439 -1.115 1.00 0.00 C ATOM 1249 O ILE A 80 -11.413 -0.761 -1.277 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.685 0.641 -0.444 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.938 1.528 -0.402 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.390 0.110 0.939 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.808 2.757 0.447 1.00 0.00 C ATOM 0 H ILE A 80 -12.652 3.075 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.160 2.243 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.875 -0.199 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.187 1.830 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.774 0.935 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.259 -0.431 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.534 -0.563 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.164 0.941 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.740 3.321 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.593 2.468 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.996 3.377 0.067 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.039 0.991 -1.025 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.796 0.193 -1.040 1.00 0.00 C ATOM 1267 C GLN A 81 -7.673 0.873 -0.275 1.00 0.00 C ATOM 1268 O GLN A 81 -7.752 2.051 -0.010 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.382 -0.160 -2.464 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.110 -0.956 -2.578 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.171 -2.317 -1.915 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -6.068 -2.696 -1.282 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -8.179 -2.999 -1.939 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.886 1.996 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.005 -0.742 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.189 -0.724 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.267 0.763 -3.032 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.870 -1.088 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.295 -0.384 -2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.006 -2.670 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.197 -3.900 -1.460 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.645 0.129 0.080 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.515 0.717 0.714 1.00 0.00 C ATOM 1284 C PHE A 82 -4.889 1.780 -0.180 1.00 0.00 C ATOM 1285 O PHE A 82 -4.587 1.543 -1.359 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.500 -0.381 1.018 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.142 0.119 1.462 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.997 1.027 2.484 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.006 -0.337 0.820 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.759 1.487 2.858 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.759 0.112 1.186 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.637 1.028 2.209 1.00 0.00 C ATOM 0 H PHE A 82 -6.582 -0.879 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.828 1.200 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.906 -1.027 1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.372 -0.996 0.127 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.874 1.385 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.099 -1.056 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.667 2.206 3.658 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.120 -0.251 0.675 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.340 1.385 2.501 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.695 2.944 0.410 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.188 4.103 -0.295 1.00 0.00 C ATOM 1304 C GLY A 83 -5.308 4.997 -0.830 1.00 0.00 C ATOM 1305 O GLY A 83 -5.060 6.042 -1.369 1.00 0.00 O ATOM 0 H GLY A 83 -4.886 3.112 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.553 4.683 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.561 3.775 -1.124 1.00 0.00 H new ATOM 1309 N SER A 84 -6.532 4.546 -0.716 1.00 0.00 N ATOM 1310 CA SER A 84 -7.673 5.350 -1.154 1.00 0.00 C ATOM 1311 C SER A 84 -8.026 6.401 -0.139 1.00 0.00 C ATOM 1312 O SER A 84 -7.610 6.332 1.037 1.00 0.00 O ATOM 1313 CB SER A 84 -8.904 4.507 -1.491 1.00 0.00 C ATOM 1314 OG SER A 84 -9.442 3.871 -0.356 1.00 0.00 O ATOM 0 H SER A 84 -6.775 3.635 -0.328 1.00 0.00 H new ATOM 0 HA SER A 84 -7.356 5.840 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.665 5.143 -1.943 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.635 3.755 -2.233 1.00 0.00 H new ATOM 0 HG SER A 84 -8.751 3.320 0.068 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.814 7.370 -0.583 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.315 8.408 0.270 1.00 0.00 C ATOM 1322 C GLN A 85 -10.795 8.562 0.043 1.00 0.00 C ATOM 1323 O GLN A 85 -11.286 8.375 -1.070 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.604 9.741 0.019 1.00 0.00 C ATOM 1325 CG GLN A 85 -9.120 10.863 0.903 1.00 0.00 C ATOM 1326 CD GLN A 85 -8.455 12.198 0.679 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -8.680 12.878 -0.297 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.491 12.474 1.523 1.00 0.00 N ATOM 0 H GLN A 85 -9.119 7.448 -1.553 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.122 8.125 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.535 9.614 0.189 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.729 10.022 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.192 10.974 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.986 10.576 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.335 11.874 2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.896 13.288 1.370 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.494 8.875 1.095 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.937 9.080 1.089 1.00 0.00 C ATOM 1339 C ILE A 86 -13.257 10.393 1.762 1.00 0.00 C ATOM 1340 O ILE A 86 -12.432 10.940 2.485 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.652 7.913 1.790 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.181 7.816 3.236 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.440 6.578 1.047 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.915 6.784 4.037 1.00 0.00 C ATOM 0 H ILE A 86 -11.074 9.002 2.016 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.293 9.114 0.059 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.723 8.113 1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.116 7.584 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.300 8.788 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.962 5.780 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.833 6.659 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.375 6.350 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.527 6.771 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.978 7.026 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.775 5.803 3.583 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.441 10.905 1.516 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.845 12.170 2.089 1.00 0.00 C ATOM 1358 C LYS A 87 -16.028 11.963 3.042 1.00 0.00 C ATOM 1359 O LYS A 87 -16.968 11.303 2.709 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.237 13.138 0.970 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.075 13.945 0.374 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.062 13.019 -0.302 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.008 13.764 -1.091 1.00 0.00 C ATOM 1364 NZ LYS A 87 -11.070 14.562 -0.243 1.00 0.00 N ATOM 0 H LYS A 87 -15.143 10.464 0.922 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.012 12.590 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.714 12.571 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.982 13.833 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.459 14.663 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.583 14.518 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.574 12.408 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.591 12.337 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.433 13.048 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.501 14.431 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.926 15.498 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.474 14.675 0.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.157 14.068 -0.175 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.968 12.634 4.165 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.941 12.557 5.292 1.00 0.00 C ATOM 1380 C TYR A 88 -17.805 13.752 5.460 1.00 0.00 C ATOM 1381 O TYR A 88 -18.374 13.974 6.533 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.285 12.158 6.605 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.033 10.695 6.686 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.106 9.820 6.797 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.751 10.164 6.648 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.916 8.471 6.873 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.568 8.804 6.728 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.647 7.964 6.842 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.449 6.611 6.907 1.00 0.00 O ATOM 0 H TYR A 88 -15.210 13.290 4.355 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.617 11.756 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.342 12.694 6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.923 12.461 7.435 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.111 10.215 6.824 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.898 10.819 6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.764 7.807 6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.569 8.394 6.701 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.725 6.416 7.538 1.00 0.00 H new ATOM 1399 N SER A 89 -17.908 14.533 4.434 1.00 0.00 N ATOM 1400 CA SER A 89 -18.541 15.826 4.568 1.00 0.00 C ATOM 1401 C SER A 89 -19.972 15.683 4.976 1.00 0.00 C ATOM 1402 O SER A 89 -20.733 14.943 4.399 1.00 0.00 O ATOM 1403 CB SER A 89 -18.467 16.578 3.231 1.00 0.00 C ATOM 1404 OG SER A 89 -19.061 17.862 3.317 1.00 0.00 O ATOM 0 H SER A 89 -17.569 14.311 3.498 1.00 0.00 H new ATOM 0 HA SER A 89 -18.014 16.386 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.425 16.679 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.969 15.996 2.458 1.00 0.00 H new ATOM 0 HG SER A 89 -18.994 18.312 2.449 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.312 16.463 5.947 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.613 16.503 6.528 1.00 0.00 C ATOM 1412 C CYS A 90 -22.486 17.527 5.738 1.00 0.00 C ATOM 1413 O CYS A 90 -22.559 17.541 4.493 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.419 17.018 7.989 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.278 16.085 9.066 1.00 0.00 S ATOM 0 H CYS A 90 -19.661 17.120 6.377 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.099 15.528 6.506 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.067 18.048 7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.396 17.038 8.471 1.00 0.00 H new ATOM 1420 N THR A 91 -23.018 18.429 6.488 1.00 0.00 N ATOM 1421 CA THR A 91 -23.930 19.477 6.064 1.00 0.00 C ATOM 1422 C THR A 91 -23.201 20.590 5.245 1.00 0.00 C ATOM 1423 O THR A 91 -22.001 20.692 5.268 1.00 0.00 O ATOM 1424 CB THR A 91 -24.518 20.078 7.373 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.406 19.133 8.012 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.246 21.387 7.159 1.00 0.00 C ATOM 0 H THR A 91 -22.824 18.471 7.488 1.00 0.00 H new ATOM 0 HA THR A 91 -24.701 19.071 5.409 1.00 0.00 H new ATOM 0 HB THR A 91 -23.664 20.286 8.017 1.00 0.00 H new ATOM 0 HG1 THR A 91 -25.765 19.526 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.630 21.750 8.112 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.558 22.122 6.742 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.075 21.234 6.468 1.00 0.00 H new ATOM 1434 N LYS A 92 -23.941 21.353 4.429 1.00 0.00 N ATOM 1435 CA LYS A 92 -23.363 22.510 3.772 1.00 0.00 C ATOM 1436 C LYS A 92 -22.879 23.604 4.753 1.00 0.00 C ATOM 1437 O LYS A 92 -21.774 24.120 4.606 1.00 0.00 O ATOM 1438 CB LYS A 92 -24.312 23.096 2.740 1.00 0.00 C ATOM 1439 CG LYS A 92 -23.721 24.316 2.078 1.00 0.00 C ATOM 1440 CD LYS A 92 -22.468 24.004 1.300 1.00 0.00 C ATOM 1441 CE LYS A 92 -21.820 25.276 0.802 1.00 0.00 C ATOM 1442 NZ LYS A 92 -22.690 26.045 -0.116 1.00 0.00 N ATOM 0 H LYS A 92 -24.925 21.186 4.217 1.00 0.00 H new ATOM 0 HA LYS A 92 -22.474 22.140 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -24.539 22.344 1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -25.254 23.361 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -24.460 24.755 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.495 25.064 2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.768 23.456 1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -22.709 23.358 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -21.557 25.902 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.890 25.028 0.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -22.144 26.821 -0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -23.045 25.417 -0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -23.493 26.438 0.415 1.00 0.00 H new ATOM 1456 N GLY A 93 -23.691 23.947 5.743 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.315 24.992 6.663 1.00 0.00 C ATOM 1458 C GLY A 93 -23.044 24.441 8.024 1.00 0.00 C ATOM 1459 O GLY A 93 -23.960 24.357 8.848 1.00 0.00 O ATOM 0 H GLY A 93 -24.600 23.520 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.428 25.505 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.111 25.734 6.720 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.811 24.037 8.244 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.392 23.443 9.503 1.00 0.00 C ATOM 1465 C TYR A 94 -19.859 23.384 9.503 1.00 0.00 C ATOM 1466 O TYR A 94 -19.224 24.003 8.668 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.955 22.005 9.547 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.045 21.015 8.877 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.676 21.169 7.550 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.477 19.979 9.590 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.777 20.301 6.947 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.578 19.130 8.995 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.234 19.294 7.676 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.347 18.431 7.084 1.00 0.00 O ATOM 0 H TYR A 94 -21.064 24.110 7.553 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.746 24.016 10.360 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.109 21.709 10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.931 21.984 9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.096 21.980 6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -20.743 19.835 10.627 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.512 20.426 5.907 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.138 18.327 9.568 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.462 18.849 7.042 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.293 22.657 10.455 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.891 22.310 10.416 1.00 0.00 C ATOM 1486 C ARG A 95 -17.716 20.913 10.966 1.00 0.00 C ATOM 1487 O ARG A 95 -18.490 20.482 11.820 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.026 23.295 11.174 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.309 23.387 12.667 1.00 0.00 C ATOM 1490 CD ARG A 95 -16.378 24.383 13.320 1.00 0.00 C ATOM 1491 NE ARG A 95 -16.628 24.491 14.742 1.00 0.00 N ATOM 1492 CZ ARG A 95 -15.904 25.223 15.577 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -14.716 25.712 15.202 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -16.348 25.444 16.806 1.00 0.00 N ATOM 0 H ARG A 95 -19.793 22.296 11.268 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.561 22.349 9.378 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -15.981 23.019 11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -17.157 24.283 10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.344 23.687 12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.185 22.407 13.128 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -15.344 24.080 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.503 25.360 12.853 1.00 0.00 H new ATOM 0 HE ARG A 95 -17.415 23.968 15.127 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.359 25.523 14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.167 26.274 15.853 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.241 25.052 17.104 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.796 26.006 17.454 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.743 20.220 10.512 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.530 18.879 11.018 1.00 0.00 C ATOM 1510 C LEU A 96 -15.300 18.927 11.916 1.00 0.00 C ATOM 1511 O LEU A 96 -14.224 19.317 11.478 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.312 17.942 9.831 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.364 16.444 10.153 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.649 15.634 8.921 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.126 15.956 10.835 1.00 0.00 C ATOM 0 H LEU A 96 -16.080 20.533 9.803 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.384 18.514 11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.067 18.160 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.342 18.167 9.387 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.186 16.308 10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.680 14.576 9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.610 15.933 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.864 15.804 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.219 14.889 11.039 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.264 16.129 10.191 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.991 16.494 11.773 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.489 18.541 13.179 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.429 18.664 14.188 1.00 0.00 C ATOM 1529 C ILE A 97 -13.216 17.776 13.902 1.00 0.00 C ATOM 1530 O ILE A 97 -12.060 18.242 14.034 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.953 18.400 15.629 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.190 19.312 15.947 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -13.851 18.633 16.681 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -15.928 20.786 15.860 1.00 0.00 C ATOM 0 H ILE A 97 -16.360 18.142 13.529 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.098 19.701 14.123 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.258 17.355 15.676 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -16.996 19.060 15.257 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.545 19.080 16.951 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.251 18.440 17.676 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.016 17.959 16.489 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.505 19.665 16.623 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -16.841 21.332 16.096 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.148 21.059 16.570 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.605 21.039 14.850 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.466 16.513 13.528 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.390 15.591 13.217 1.00 0.00 C ATOM 1548 C GLY A 98 -12.001 15.606 11.759 1.00 0.00 C ATOM 1549 O GLY A 98 -11.688 16.642 11.216 1.00 0.00 O ATOM 0 H GLY A 98 -14.402 16.118 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.519 15.841 13.822 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.692 14.582 13.496 1.00 0.00 H new ATOM 1553 N SER A 99 -12.012 14.436 11.141 1.00 0.00 N ATOM 1554 CA SER A 99 -11.577 14.289 9.775 1.00 0.00 C ATOM 1555 C SER A 99 -12.757 14.380 8.784 1.00 0.00 C ATOM 1556 O SER A 99 -13.710 13.619 8.869 1.00 0.00 O ATOM 1557 CB SER A 99 -10.888 12.922 9.633 1.00 0.00 C ATOM 1558 OG SER A 99 -9.916 12.727 10.644 1.00 0.00 O ATOM 0 H SER A 99 -12.323 13.568 11.577 1.00 0.00 H new ATOM 0 HA SER A 99 -10.889 15.100 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.634 12.129 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.416 12.851 8.653 1.00 0.00 H new ATOM 0 HG SER A 99 -9.496 11.849 10.529 1.00 0.00 H new ATOM 1564 N SER A 100 -12.652 15.301 7.852 1.00 0.00 N ATOM 1565 CA SER A 100 -13.626 15.484 6.780 1.00 0.00 C ATOM 1566 C SER A 100 -13.336 14.532 5.641 1.00 0.00 C ATOM 1567 O SER A 100 -14.080 14.465 4.665 1.00 0.00 O ATOM 1568 CB SER A 100 -13.582 16.913 6.312 1.00 0.00 C ATOM 1569 OG SER A 100 -13.603 17.790 7.416 1.00 0.00 O ATOM 0 H SER A 100 -11.875 15.960 7.810 1.00 0.00 H new ATOM 0 HA SER A 100 -14.627 15.264 7.152 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.681 17.082 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.432 17.116 5.661 1.00 0.00 H new ATOM 0 HG SER A 100 -13.572 18.717 7.098 1.00 0.00 H new ATOM 1575 N SER A 101 -12.253 13.835 5.761 1.00 0.00 N ATOM 1576 CA SER A 101 -11.854 12.866 4.800 1.00 0.00 C ATOM 1577 C SER A 101 -10.986 11.826 5.488 1.00 0.00 C ATOM 1578 O SER A 101 -10.466 12.087 6.557 1.00 0.00 O ATOM 1579 CB SER A 101 -11.117 13.555 3.639 1.00 0.00 C ATOM 1580 OG SER A 101 -10.060 14.383 4.105 1.00 0.00 O ATOM 0 H SER A 101 -11.610 13.927 6.547 1.00 0.00 H new ATOM 0 HA SER A 101 -12.724 12.363 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.717 12.800 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.823 14.155 3.065 1.00 0.00 H new ATOM 0 HG SER A 101 -9.613 14.803 3.341 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.830 10.662 4.885 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.082 9.574 5.483 1.00 0.00 C ATOM 1588 C ALA A 102 -9.282 8.861 4.433 1.00 0.00 C ATOM 1589 O ALA A 102 -9.687 8.800 3.267 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.037 8.587 6.140 1.00 0.00 C ATOM 0 H ALA A 102 -11.219 10.445 3.967 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.408 9.986 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.467 7.772 6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.611 9.096 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.718 8.185 5.390 1.00 0.00 H new ATOM 1596 N THR A 103 -8.165 8.329 4.838 1.00 0.00 N ATOM 1597 CA THR A 103 -7.298 7.626 3.930 1.00 0.00 C ATOM 1598 C THR A 103 -7.068 6.185 4.444 1.00 0.00 C ATOM 1599 O THR A 103 -6.769 5.998 5.615 1.00 0.00 O ATOM 1600 CB THR A 103 -5.952 8.393 3.827 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.212 9.747 3.413 1.00 0.00 O ATOM 1602 CG2 THR A 103 -5.040 7.749 2.792 1.00 0.00 C ATOM 0 H THR A 103 -7.829 8.368 5.800 1.00 0.00 H new ATOM 0 HA THR A 103 -7.753 7.570 2.941 1.00 0.00 H new ATOM 0 HB THR A 103 -5.466 8.368 4.803 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.366 10.237 3.348 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.103 8.303 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.835 6.718 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.528 7.764 1.817 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.252 5.181 3.575 1.00 0.00 N ATOM 1611 CA CYS A 104 -7.032 3.801 4.005 1.00 0.00 C ATOM 1612 C CYS A 104 -5.545 3.519 4.157 1.00 0.00 C ATOM 1613 O CYS A 104 -4.776 3.565 3.165 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.706 2.808 3.023 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.635 1.012 3.511 1.00 0.00 S ATOM 0 H CYS A 104 -7.543 5.295 2.604 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.495 3.662 4.982 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.752 3.093 2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.237 2.918 2.045 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.152 3.246 5.397 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.770 2.972 5.745 1.00 0.00 C ATOM 1622 C ILE A 105 -3.645 1.647 6.490 1.00 0.00 C ATOM 1623 O ILE A 105 -4.638 1.092 6.984 1.00 0.00 O ATOM 1624 CB ILE A 105 -3.113 4.082 6.615 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.767 4.199 8.004 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -3.132 5.412 5.876 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -5.068 5.004 8.067 1.00 0.00 C ATOM 0 H ILE A 105 -5.791 3.209 6.191 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.242 2.932 4.792 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.075 3.796 6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.966 3.194 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.048 4.654 8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.669 6.180 6.496 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.578 5.317 4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.163 5.693 5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.437 5.019 9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.881 6.025 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.813 4.542 7.420 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.435 1.123 6.543 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.197 -0.144 7.186 1.00 0.00 C ATOM 1641 C ILE A 106 -2.082 0.051 8.688 1.00 0.00 C ATOM 1642 O ILE A 106 -1.300 0.866 9.145 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.836 -0.742 6.705 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.829 -0.942 5.192 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -0.554 -2.065 7.425 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.903 -1.872 4.693 1.00 0.00 C ATOM 0 H ILE A 106 -1.604 1.561 6.146 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.026 -0.807 6.937 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.046 -0.033 6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.947 0.027 4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.144 -1.332 4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.397 -2.471 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.507 -1.891 8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.352 -2.775 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.832 -1.962 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.774 -2.854 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.882 -1.474 4.960 1.00 0.00 H new ATOM 1658 N SER A 107 -2.889 -0.694 9.455 1.00 0.00 N ATOM 1659 CA SER A 107 -2.766 -0.674 10.924 1.00 0.00 C ATOM 1660 C SER A 107 -1.767 -1.719 11.379 1.00 0.00 C ATOM 1661 O SER A 107 -1.313 -1.722 12.524 1.00 0.00 O ATOM 1662 CB SER A 107 -4.129 -0.929 11.589 1.00 0.00 C ATOM 1663 OG SER A 107 -4.653 -2.205 11.225 1.00 0.00 O ATOM 0 H SER A 107 -3.621 -1.307 9.095 1.00 0.00 H new ATOM 0 HA SER A 107 -2.413 0.313 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.024 -0.872 12.672 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.831 -0.148 11.296 1.00 0.00 H new ATOM 0 HG SER A 107 -4.633 -2.301 10.250 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.431 -2.597 10.454 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.541 -3.670 10.689 1.00 0.00 C ATOM 1671 C GLY A 108 -1.212 -4.985 10.368 1.00 0.00 C ATOM 1672 O GLY A 108 -0.906 -5.606 9.365 1.00 0.00 O ATOM 0 H GLY A 108 -1.790 -2.565 9.500 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.353 -3.551 10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.218 -3.663 11.730 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.129 -5.399 11.237 1.00 0.00 N ATOM 1677 CA ASP A 109 -2.918 -6.616 11.020 1.00 0.00 C ATOM 1678 C ASP A 109 -3.819 -6.489 9.788 1.00 0.00 C ATOM 1679 O ASP A 109 -3.988 -7.426 9.025 1.00 0.00 O ATOM 1680 CB ASP A 109 -3.748 -6.950 12.262 1.00 0.00 C ATOM 1681 CG ASP A 109 -4.575 -8.219 12.110 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -3.974 -9.314 11.969 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -5.822 -8.127 12.178 1.00 0.00 O ATOM 0 H ASP A 109 -2.348 -4.909 12.104 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.221 -7.434 10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.081 -7.059 13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.413 -6.115 12.481 1.00 0.00 H new ATOM 1688 N THR A 110 -4.403 -5.310 9.621 1.00 0.00 N ATOM 1689 CA THR A 110 -5.407 -5.091 8.617 1.00 0.00 C ATOM 1690 C THR A 110 -5.293 -3.676 8.050 1.00 0.00 C ATOM 1691 O THR A 110 -4.328 -2.957 8.345 1.00 0.00 O ATOM 1692 CB THR A 110 -6.812 -5.352 9.210 1.00 0.00 C ATOM 1693 OG1 THR A 110 -7.816 -5.394 8.170 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.169 -4.298 10.231 1.00 0.00 C ATOM 0 H THR A 110 -4.187 -4.486 10.183 1.00 0.00 H new ATOM 0 HA THR A 110 -5.251 -5.790 7.795 1.00 0.00 H new ATOM 0 HB THR A 110 -6.786 -6.323 9.704 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.361 -6.202 8.273 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.161 -4.503 10.634 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.439 -4.313 11.040 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.165 -3.316 9.757 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.268 -3.279 7.225 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.271 -1.967 6.625 1.00 0.00 C ATOM 1704 C VAL A 111 -7.461 -1.173 7.180 1.00 0.00 C ATOM 1705 O VAL A 111 -8.599 -1.657 7.221 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.410 -2.064 5.081 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.199 -2.752 4.510 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.644 -2.841 4.706 1.00 0.00 C ATOM 0 H VAL A 111 -7.064 -3.861 6.965 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.329 -1.471 6.861 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.492 -1.055 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.296 -2.820 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.305 -2.181 4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.118 -3.754 4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.723 -2.897 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.579 -3.848 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.525 -2.341 5.108 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.160 0.024 7.665 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.150 0.879 8.271 1.00 0.00 C ATOM 1720 C ILE A 112 -8.123 2.315 7.739 1.00 0.00 C ATOM 1721 O ILE A 112 -7.178 2.715 7.095 1.00 0.00 O ATOM 1722 CB ILE A 112 -8.111 0.828 9.821 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.686 0.961 10.354 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.730 -0.477 10.302 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.079 2.334 10.214 1.00 0.00 C ATOM 0 H ILE A 112 -6.221 0.422 7.646 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.112 0.468 7.966 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.685 1.672 10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.681 0.684 11.408 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.051 0.245 9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.703 -0.513 11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.764 -0.536 9.963 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.167 -1.318 9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.068 2.328 10.620 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.045 2.611 9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.685 3.057 10.760 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.180 3.038 7.982 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.288 4.427 7.550 1.00 0.00 C ATOM 1739 C TRP A 113 -8.723 5.370 8.640 1.00 0.00 C ATOM 1740 O TRP A 113 -8.850 5.087 9.813 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.755 4.772 7.307 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.355 4.016 6.172 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.184 2.932 6.259 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.168 4.263 4.790 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.511 2.505 5.008 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.918 3.303 4.092 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.448 5.210 4.061 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.961 3.263 2.716 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.500 5.165 2.682 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.260 4.193 2.025 1.00 0.00 C ATOM 0 H TRP A 113 -9.998 2.693 8.484 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.717 4.555 6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.325 4.567 8.213 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.843 5.841 7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.527 2.483 7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.110 1.707 4.795 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.861 5.964 4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.539 2.509 2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.946 5.890 2.104 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.289 4.184 0.945 1.00 0.00 H new ATOM 1761 N ASP A 114 -8.124 6.479 8.215 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.529 7.488 9.137 1.00 0.00 C ATOM 1763 C ASP A 114 -8.598 8.101 10.016 1.00 0.00 C ATOM 1764 O ASP A 114 -8.353 8.423 11.177 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.831 8.635 8.360 1.00 0.00 C ATOM 1766 CG ASP A 114 -5.419 8.346 7.961 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -4.573 8.166 8.861 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.160 8.302 6.738 1.00 0.00 O ATOM 0 H ASP A 114 -8.029 6.719 7.228 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.791 6.962 9.743 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.411 8.854 7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -6.844 9.534 8.976 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.787 8.287 9.437 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.981 8.838 10.117 1.00 0.00 C ATOM 1775 C GLN A 115 -11.082 8.439 11.590 1.00 0.00 C ATOM 1776 O GLN A 115 -11.097 7.271 11.953 1.00 0.00 O ATOM 1777 CB GLN A 115 -12.243 8.360 9.390 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.462 8.245 10.270 1.00 0.00 C ATOM 1779 CD GLN A 115 -14.103 6.879 10.164 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.069 6.239 9.105 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -14.638 6.394 11.255 1.00 0.00 N ATOM 0 H GLN A 115 -9.959 8.056 8.459 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.886 9.923 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.462 9.050 8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.042 7.388 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.182 8.436 11.306 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -14.187 9.010 9.990 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.648 6.951 12.109 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.045 5.459 11.251 1.00 0.00 H new ATOM 1790 N GLU A 116 -11.190 9.447 12.434 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.313 9.229 13.888 1.00 0.00 C ATOM 1792 C GLU A 116 -12.641 8.529 14.241 1.00 0.00 C ATOM 1793 O GLU A 116 -12.669 7.596 15.037 1.00 0.00 O ATOM 1794 CB GLU A 116 -11.263 10.568 14.628 1.00 0.00 C ATOM 1795 CG GLU A 116 -9.919 11.291 14.574 1.00 0.00 C ATOM 1796 CD GLU A 116 -9.972 12.637 15.280 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -11.039 12.971 15.841 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -8.945 13.348 15.324 1.00 0.00 O ATOM 0 H GLU A 116 -11.196 10.427 12.153 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.481 8.594 14.193 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.027 11.224 14.211 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.524 10.398 15.672 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.153 10.668 15.036 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.627 11.437 13.534 1.00 0.00 H new ATOM 1805 N THR A 117 -13.713 8.960 13.580 1.00 0.00 N ATOM 1806 CA THR A 117 -15.058 8.481 13.830 1.00 0.00 C ATOM 1807 C THR A 117 -16.009 9.493 13.182 1.00 0.00 C ATOM 1808 O THR A 117 -15.549 10.569 12.786 1.00 0.00 O ATOM 1809 CB THR A 117 -15.319 8.379 15.373 1.00 0.00 C ATOM 1810 OG1 THR A 117 -16.313 7.381 15.679 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.746 9.717 15.963 1.00 0.00 C ATOM 0 H THR A 117 -13.664 9.664 12.844 1.00 0.00 H new ATOM 0 HA THR A 117 -15.210 7.486 13.412 1.00 0.00 H new ATOM 0 HB THR A 117 -14.373 8.083 15.826 1.00 0.00 H new ATOM 0 HG1 THR A 117 -17.131 7.820 15.992 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.917 9.605 17.034 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.961 10.455 15.797 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.665 10.050 15.482 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.305 9.157 12.972 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.241 10.119 12.393 1.00 0.00 C ATOM 1821 C PRO A 118 -18.456 11.346 13.296 1.00 0.00 C ATOM 1822 O PRO A 118 -18.996 11.245 14.399 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.523 9.313 12.211 1.00 0.00 C ATOM 1824 CG PRO A 118 -19.388 8.146 13.138 1.00 0.00 C ATOM 1825 CD PRO A 118 -17.930 7.844 13.228 1.00 0.00 C ATOM 0 HA PRO A 118 -17.873 10.540 11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.402 9.910 12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.638 8.984 11.178 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.797 8.382 14.121 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.940 7.285 12.761 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.658 7.451 14.208 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.625 7.101 12.491 1.00 0.00 H new ATOM 1833 N ILE A 119 -18.021 12.480 12.817 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.141 13.714 13.564 1.00 0.00 C ATOM 1835 C ILE A 119 -18.879 14.777 12.691 1.00 0.00 C ATOM 1836 O ILE A 119 -18.475 15.020 11.547 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.721 14.220 13.832 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.953 13.200 14.665 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.791 15.540 14.620 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.490 13.359 14.617 1.00 0.00 C ATOM 0 H ILE A 119 -17.576 12.580 11.905 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.693 13.551 14.489 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.215 14.373 12.879 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.281 13.274 15.702 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -16.210 12.199 14.320 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.781 15.903 14.812 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.339 16.282 14.039 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.303 15.371 15.568 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.020 12.594 15.236 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.146 13.254 13.588 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.219 14.346 14.992 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.916 15.390 13.226 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.575 16.514 12.539 1.00 0.00 C ATOM 1854 C CYS A 120 -20.969 17.589 13.591 1.00 0.00 C ATOM 1855 O CYS A 120 -21.866 17.351 14.429 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.792 16.040 11.684 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.345 14.894 10.290 1.00 0.00 S ATOM 0 H CYS A 120 -20.327 15.142 14.126 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.878 16.961 11.830 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.507 15.538 12.337 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.295 16.915 11.273 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.263 18.730 13.597 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.484 19.770 14.645 1.00 0.00 C ATOM 1864 C ASP A 121 -21.880 20.394 14.617 1.00 0.00 C ATOM 1865 O ASP A 121 -22.559 20.360 15.620 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.399 20.873 14.538 1.00 0.00 C ATOM 1867 CG ASP A 121 -19.500 22.004 15.580 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -20.464 22.034 16.379 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -18.609 22.894 15.583 1.00 0.00 O ATOM 0 H ASP A 121 -19.547 18.965 12.910 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.405 19.257 15.603 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.419 20.405 14.629 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.450 21.314 13.542 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.331 20.823 13.409 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.589 21.616 13.237 1.00 0.00 C ATOM 1876 C ARG A 122 -24.410 21.808 14.515 1.00 0.00 C ATOM 1877 O ARG A 122 -24.358 22.918 15.095 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.456 21.087 12.114 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.691 21.965 11.915 1.00 0.00 C ATOM 1880 CD ARG A 122 -26.539 21.525 10.739 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.742 22.361 10.620 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.821 23.537 9.966 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -26.723 24.082 9.433 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -28.996 24.195 9.883 1.00 0.00 N ATOM 0 H ARG A 122 -21.843 20.635 12.533 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.235 22.610 12.963 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -23.879 21.051 11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -24.764 20.066 12.338 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.296 21.945 12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.377 22.998 11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -25.955 21.587 9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.827 20.481 10.863 1.00 0.00 H new ATOM 0 HE ARG A 122 -28.591 22.022 11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -25.824 23.608 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -26.784 24.972 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -29.832 23.803 10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -29.048 25.084 9.387 1.00 0.00 H new TER 1898 ARG A 122