USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 762 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 71 ASN : amide:sc= -11! C(o=-11!,f=-16!) USER MOD Set 1.2: A 90 SER OG : rot 74:sc= 0.0271 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -173:sc= 0.225 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot -66:sc= -2.6 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.18 F(o=-2,f=-0.18) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 158:sc= 0.0603 (180deg=0) USER MOD Set 4.2: A 33 ASN :FLIP amide:sc= -1.13 F(o=-3.4,f=-1.4) USER MOD Set 4.3: A 36 LYS NZ :NH3+ -116:sc= -0.349 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.83 USER MOD Single : A 21 SER OG : rot -172:sc= -4.07 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.477 F(o=-2.4,f=-0.48) USER MOD Single : A 39 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.016) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.145 F(o=-0.89,f=-0.15) USER MOD Single : A 56 SER OG : rot -83:sc= 0.547! USER MOD Single : A 64 ASN : amide:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.844! F(o=-2.3,f=-0.84!) USER MOD Single : A 74 SER OG : rot 39:sc= 0.738 USER MOD Single : A 80 ASN : amide:sc= -0.966 K(o=-0.97,f=-2.1) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.17! C(o=-4.2!,f=-2.2!) USER MOD Single : A 84 MET CE :methyl 166:sc= -8.64! (180deg=-10.3!) USER MOD Single : A 91 MET CE :methyl 165:sc= -5.88! (180deg=-6.31!) USER MOD Single : A 92 SER OG : rot 87:sc= 0.36 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -9.12! C(o=-9.1!,f=-19!) USER MOD Single : A 97 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0501) USER MOD Single : A 100 MET CE :methyl -161:sc= -0.598 (180deg=-2.29) USER MOD Single : A 102 GLN : amide:sc= -0.208 K(o=-0.21,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 9 -3.928 -7.877 -11.251 1.00 0.00 N ATOM 23 CA ARG A 9 -2.711 -7.186 -10.847 1.00 0.00 C ATOM 24 C ARG A 9 -2.343 -6.098 -11.846 1.00 0.00 C ATOM 25 O ARG A 9 -1.944 -6.385 -12.976 1.00 0.00 O ATOM 26 CB ARG A 9 -1.557 -8.177 -10.704 1.00 0.00 C ATOM 27 CG ARG A 9 -1.532 -8.870 -9.355 1.00 0.00 C ATOM 28 CD ARG A 9 -0.152 -9.422 -9.035 1.00 0.00 C ATOM 29 NE ARG A 9 -0.219 -10.754 -8.438 1.00 0.00 N ATOM 30 CZ ARG A 9 -0.396 -11.873 -9.138 1.00 0.00 C ATOM 31 NH1 ARG A 9 -0.524 -11.824 -10.458 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.444 -13.042 -8.516 1.00 0.00 N ATOM 0 HA ARG A 9 -2.897 -6.717 -9.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.631 -8.928 -11.490 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.614 -7.651 -10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.832 -8.167 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.260 -9.682 -9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.442 -9.464 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.360 -8.744 -8.352 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.125 -10.831 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.487 -10.926 -10.941 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.659 -12.684 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.345 -13.084 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.580 -13.899 -9.052 1.00 0.00 H new ATOM 46 N GLU A 10 -2.476 -4.848 -11.421 1.00 0.00 N ATOM 47 CA GLU A 10 -2.155 -3.712 -12.275 1.00 0.00 C ATOM 48 C GLU A 10 -1.262 -2.714 -11.544 1.00 0.00 C ATOM 49 O GLU A 10 -1.629 -2.195 -10.489 1.00 0.00 O ATOM 50 CB GLU A 10 -3.437 -3.020 -12.743 1.00 0.00 C ATOM 51 CG GLU A 10 -4.447 -2.796 -11.630 1.00 0.00 C ATOM 52 CD GLU A 10 -5.597 -1.905 -12.058 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.362 -0.977 -12.859 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.732 -2.137 -11.590 1.00 0.00 O ATOM 0 H GLU A 10 -2.804 -4.595 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.614 -4.086 -13.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.180 -2.059 -13.188 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.899 -3.621 -13.527 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.840 -3.758 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.944 -2.348 -10.773 1.00 0.00 H new ATOM 61 N PHE A 11 -0.090 -2.450 -12.112 1.00 0.00 N ATOM 62 CA PHE A 11 0.854 -1.513 -11.515 1.00 0.00 C ATOM 63 C PHE A 11 0.431 -0.074 -11.790 1.00 0.00 C ATOM 64 O PHE A 11 0.109 0.281 -12.925 1.00 0.00 O ATOM 65 CB PHE A 11 2.263 -1.756 -12.061 1.00 0.00 C ATOM 66 CG PHE A 11 2.775 -3.144 -11.801 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.939 -3.603 -10.503 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.092 -3.989 -12.851 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.411 -4.880 -10.261 1.00 0.00 C ATOM 70 CE2 PHE A 11 3.564 -5.265 -12.616 1.00 0.00 C ATOM 71 CZ PHE A 11 3.722 -5.712 -11.318 1.00 0.00 C ATOM 0 H PHE A 11 0.228 -2.872 -12.984 1.00 0.00 H new ATOM 0 HA PHE A 11 0.859 -1.675 -10.437 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.265 -1.572 -13.135 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.947 -1.035 -11.613 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.696 -2.957 -9.673 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.968 -3.645 -13.867 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.536 -5.226 -9.246 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.809 -5.912 -13.445 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.088 -6.711 -11.131 1.00 0.00 H new ATOM 81 N LEU A 12 0.428 0.752 -10.748 1.00 0.00 N ATOM 82 CA LEU A 12 0.036 2.150 -10.889 1.00 0.00 C ATOM 83 C LEU A 12 0.979 3.071 -10.125 1.00 0.00 C ATOM 84 O LEU A 12 1.243 2.869 -8.940 1.00 0.00 O ATOM 85 CB LEU A 12 -1.397 2.353 -10.392 1.00 0.00 C ATOM 86 CG LEU A 12 -2.374 1.238 -10.762 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.445 1.088 -9.692 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.008 1.512 -12.118 1.00 0.00 C ATOM 0 H LEU A 12 0.691 0.479 -9.801 1.00 0.00 H new ATOM 0 HA LEU A 12 0.092 2.404 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.378 2.453 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.774 3.294 -10.793 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.819 0.302 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.131 0.289 -9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.976 0.844 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.997 2.023 -9.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.701 0.708 -12.365 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.548 2.458 -12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.230 1.567 -12.879 1.00 0.00 H new ATOM 100 N THR A 13 1.473 4.095 -10.814 1.00 0.00 N ATOM 101 CA THR A 13 2.376 5.063 -10.205 1.00 0.00 C ATOM 102 C THR A 13 1.602 6.297 -9.760 1.00 0.00 C ATOM 103 O THR A 13 0.746 6.796 -10.490 1.00 0.00 O ATOM 104 CB THR A 13 3.471 5.468 -11.192 1.00 0.00 C ATOM 105 OG1 THR A 13 4.059 4.327 -11.788 1.00 0.00 O ATOM 106 CG2 THR A 13 4.578 6.276 -10.549 1.00 0.00 C ATOM 0 H THR A 13 1.262 4.275 -11.796 1.00 0.00 H new ATOM 0 HA THR A 13 2.840 4.599 -9.335 1.00 0.00 H new ATOM 0 HB THR A 13 2.975 6.087 -11.940 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.756 4.609 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.325 6.533 -11.301 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.162 7.189 -10.124 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.046 5.688 -9.759 1.00 0.00 H new ATOM 114 N PHE A 14 1.895 6.783 -8.558 1.00 0.00 N ATOM 115 CA PHE A 14 1.202 7.954 -8.034 1.00 0.00 C ATOM 116 C PHE A 14 2.164 8.949 -7.390 1.00 0.00 C ATOM 117 O PHE A 14 2.981 8.585 -6.546 1.00 0.00 O ATOM 118 CB PHE A 14 0.147 7.525 -7.013 1.00 0.00 C ATOM 119 CG PHE A 14 -0.785 6.462 -7.521 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.359 6.566 -8.778 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.089 5.358 -6.740 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.216 5.589 -9.247 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.947 4.378 -7.203 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.511 4.493 -8.459 1.00 0.00 C ATOM 0 H PHE A 14 2.600 6.389 -7.935 1.00 0.00 H new ATOM 0 HA PHE A 14 0.722 8.452 -8.876 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.648 7.159 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.436 8.397 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.134 7.421 -9.398 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.650 5.262 -5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.655 5.682 -10.229 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.176 3.523 -6.584 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.181 3.728 -8.824 1.00 0.00 H new ATOM 134 N GLU A 15 2.035 10.214 -7.783 1.00 0.00 N ATOM 135 CA GLU A 15 2.864 11.281 -7.237 1.00 0.00 C ATOM 136 C GLU A 15 2.092 12.023 -6.151 1.00 0.00 C ATOM 137 O GLU A 15 1.183 12.797 -6.444 1.00 0.00 O ATOM 138 CB GLU A 15 3.285 12.253 -8.342 1.00 0.00 C ATOM 139 CG GLU A 15 3.712 11.566 -9.628 1.00 0.00 C ATOM 140 CD GLU A 15 2.570 11.409 -10.613 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.616 10.665 -10.303 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.629 12.033 -11.694 1.00 0.00 O ATOM 0 H GLU A 15 1.360 10.524 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 15 3.764 10.843 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.455 12.926 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.108 12.869 -7.978 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.512 12.141 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.121 10.584 -9.392 1.00 0.00 H new ATOM 149 N VAL A 16 2.440 11.760 -4.898 1.00 0.00 N ATOM 150 CA VAL A 16 1.756 12.382 -3.773 1.00 0.00 C ATOM 151 C VAL A 16 2.532 13.572 -3.209 1.00 0.00 C ATOM 152 O VAL A 16 3.585 13.401 -2.597 1.00 0.00 O ATOM 153 CB VAL A 16 1.510 11.364 -2.646 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.609 11.966 -1.584 1.00 0.00 C ATOM 155 CG2 VAL A 16 0.906 10.082 -3.202 1.00 0.00 C ATOM 0 H VAL A 16 3.191 11.121 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 16 0.802 12.744 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 16 2.467 11.115 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.442 11.236 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.083 12.854 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.346 12.241 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.740 9.375 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.044 10.308 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.589 9.644 -3.930 1.00 0.00 H new ATOM 165 N PRO A 17 2.016 14.801 -3.406 1.00 0.00 N ATOM 166 CA PRO A 17 2.657 16.022 -2.916 1.00 0.00 C ATOM 167 C PRO A 17 2.321 16.325 -1.460 1.00 0.00 C ATOM 168 O PRO A 17 1.293 16.936 -1.173 1.00 0.00 O ATOM 169 CB PRO A 17 2.070 17.095 -3.828 1.00 0.00 C ATOM 170 CG PRO A 17 0.697 16.608 -4.139 1.00 0.00 C ATOM 171 CD PRO A 17 0.760 15.101 -4.126 1.00 0.00 C ATOM 0 HA PRO A 17 3.744 15.951 -2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.044 18.066 -3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.664 17.214 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.019 16.972 -3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.367 16.973 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.103 14.670 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.772 14.693 -5.137 1.00 0.00 H new ATOM 179 N LEU A 18 3.201 15.916 -0.544 1.00 0.00 N ATOM 180 CA LEU A 18 2.991 16.165 0.883 1.00 0.00 C ATOM 181 C LEU A 18 3.531 17.531 1.279 1.00 0.00 C ATOM 182 O LEU A 18 3.874 17.768 2.438 1.00 0.00 O ATOM 183 CB LEU A 18 3.667 15.087 1.717 1.00 0.00 C ATOM 184 CG LEU A 18 5.184 15.146 1.701 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.712 15.798 2.971 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.776 13.757 1.525 1.00 0.00 C ATOM 0 H LEU A 18 4.061 15.414 -0.763 1.00 0.00 H new ATOM 0 HA LEU A 18 1.918 16.143 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.322 15.172 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.349 14.110 1.354 1.00 0.00 H new ATOM 0 HG LEU A 18 5.490 15.757 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.801 15.830 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.322 16.813 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.392 15.219 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.864 13.824 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.458 13.119 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.431 13.331 0.583 1.00 0.00 H new ATOM 198 N ASN A 19 3.600 18.418 0.303 1.00 0.00 N ATOM 199 CA ASN A 19 4.090 19.775 0.499 1.00 0.00 C ATOM 200 C ASN A 19 3.575 20.389 1.802 1.00 0.00 C ATOM 201 O ASN A 19 4.219 21.267 2.378 1.00 0.00 O ATOM 202 CB ASN A 19 3.678 20.639 -0.695 1.00 0.00 C ATOM 203 CG ASN A 19 2.222 21.083 -0.633 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.314 20.149 -0.347 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.915 22.257 -0.842 1.00 0.00 N flip ATOM 0 H ASN A 19 3.316 18.218 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 19 5.177 19.736 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.319 21.519 -0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.843 20.079 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.639 22.943 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.937 22.544 -0.799 1.00 0.00 H new ATOM 212 N ASP A 20 2.412 19.934 2.259 1.00 0.00 N ATOM 213 CA ASP A 20 1.825 20.455 3.488 1.00 0.00 C ATOM 214 C ASP A 20 1.107 19.363 4.279 1.00 0.00 C ATOM 215 O ASP A 20 0.260 19.657 5.121 1.00 0.00 O ATOM 216 CB ASP A 20 0.849 21.589 3.168 1.00 0.00 C ATOM 217 CG ASP A 20 0.435 22.362 4.405 1.00 0.00 C ATOM 218 OD1 ASP A 20 1.321 22.709 5.212 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.777 22.619 4.564 1.00 0.00 O ATOM 0 H ASP A 20 1.860 19.210 1.799 1.00 0.00 H new ATOM 0 HA ASP A 20 2.639 20.837 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.311 22.271 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.038 21.176 2.687 1.00 0.00 H new ATOM 224 N SER A 21 1.450 18.105 4.011 1.00 0.00 N ATOM 225 CA SER A 21 0.829 16.987 4.712 1.00 0.00 C ATOM 226 C SER A 21 1.851 16.225 5.555 1.00 0.00 C ATOM 227 O SER A 21 1.485 15.388 6.379 1.00 0.00 O ATOM 228 CB SER A 21 0.161 16.040 3.715 1.00 0.00 C ATOM 229 OG SER A 21 1.126 15.339 2.952 1.00 0.00 O ATOM 0 H SER A 21 2.149 17.837 3.319 1.00 0.00 H new ATOM 0 HA SER A 21 0.071 17.392 5.382 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.470 15.330 4.250 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.490 16.607 3.050 1.00 0.00 H new ATOM 0 HG SER A 21 0.678 14.837 2.240 1.00 0.00 H new ATOM 235 N GLY A 22 3.134 16.519 5.349 1.00 0.00 N ATOM 236 CA GLY A 22 4.180 15.853 6.103 1.00 0.00 C ATOM 237 C GLY A 22 3.973 15.957 7.602 1.00 0.00 C ATOM 238 O GLY A 22 4.431 15.100 8.359 1.00 0.00 O ATOM 0 H GLY A 22 3.466 17.207 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.216 14.802 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.145 16.288 5.842 1.00 0.00 H new ATOM 242 N SER A 23 3.280 17.007 8.031 1.00 0.00 N ATOM 243 CA SER A 23 3.011 17.217 9.450 1.00 0.00 C ATOM 244 C SER A 23 2.309 16.004 10.050 1.00 0.00 C ATOM 245 O SER A 23 2.602 15.596 11.174 1.00 0.00 O ATOM 246 CB SER A 23 2.154 18.470 9.650 1.00 0.00 C ATOM 247 OG SER A 23 0.783 18.192 9.423 1.00 0.00 O ATOM 0 H SER A 23 2.895 17.725 7.418 1.00 0.00 H new ATOM 0 HA SER A 23 3.964 17.355 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.289 18.848 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.487 19.254 8.970 1.00 0.00 H new ATOM 0 HG SER A 23 0.257 19.008 9.559 1.00 0.00 H new ATOM 253 N ALA A 24 1.387 15.428 9.287 1.00 0.00 N ATOM 254 CA ALA A 24 0.646 14.255 9.734 1.00 0.00 C ATOM 255 C ALA A 24 1.283 12.977 9.201 1.00 0.00 C ATOM 256 O ALA A 24 1.192 11.919 9.823 1.00 0.00 O ATOM 257 CB ALA A 24 -0.808 14.349 9.290 1.00 0.00 C ATOM 0 H ALA A 24 1.135 15.755 8.354 1.00 0.00 H new ATOM 0 HA ALA A 24 0.679 14.223 10.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.350 13.467 9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.262 15.242 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.853 14.406 8.202 1.00 0.00 H new ATOM 263 N GLY A 25 1.933 13.087 8.046 1.00 0.00 N ATOM 264 CA GLY A 25 2.581 11.936 7.444 1.00 0.00 C ATOM 265 C GLY A 25 1.966 11.553 6.115 1.00 0.00 C ATOM 266 O GLY A 25 1.654 10.385 5.881 1.00 0.00 O ATOM 0 H GLY A 25 2.022 13.954 7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.640 12.153 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.518 11.089 8.127 1.00 0.00 H new ATOM 270 N LEU A 26 1.800 12.542 5.239 1.00 0.00 N ATOM 271 CA LEU A 26 1.226 12.324 3.913 1.00 0.00 C ATOM 272 C LEU A 26 -0.293 12.172 3.957 1.00 0.00 C ATOM 273 O LEU A 26 -0.930 12.000 2.918 1.00 0.00 O ATOM 274 CB LEU A 26 1.837 11.088 3.250 1.00 0.00 C ATOM 275 CG LEU A 26 1.571 10.975 1.752 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.214 12.135 1.017 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.086 9.655 1.211 1.00 0.00 C ATOM 0 H LEU A 26 2.058 13.511 5.427 1.00 0.00 H new ATOM 0 HA LEU A 26 1.463 13.211 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.914 11.099 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.448 10.197 3.743 1.00 0.00 H new ATOM 0 HG LEU A 26 0.494 11.011 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.017 12.043 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.798 13.073 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.290 12.124 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.885 9.597 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.160 9.586 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.583 8.832 1.720 1.00 0.00 H new ATOM 289 N GLY A 27 -0.878 12.231 5.149 1.00 0.00 N ATOM 290 CA GLY A 27 -2.314 12.088 5.259 1.00 0.00 C ATOM 291 C GLY A 27 -2.787 10.731 4.778 1.00 0.00 C ATOM 292 O GLY A 27 -3.650 10.638 3.906 1.00 0.00 O ATOM 0 H GLY A 27 -0.387 12.374 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.614 12.230 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.802 12.870 4.677 1.00 0.00 H new ATOM 296 N VAL A 28 -2.221 9.676 5.357 1.00 0.00 N ATOM 297 CA VAL A 28 -2.586 8.308 4.994 1.00 0.00 C ATOM 298 C VAL A 28 -2.004 7.304 5.984 1.00 0.00 C ATOM 299 O VAL A 28 -1.050 7.608 6.703 1.00 0.00 O ATOM 300 CB VAL A 28 -2.112 7.935 3.570 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.296 7.832 2.623 1.00 0.00 C ATOM 302 CG2 VAL A 28 -1.092 8.936 3.047 1.00 0.00 C ATOM 0 H VAL A 28 -1.506 9.741 6.081 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.675 8.266 5.021 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.625 6.961 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.943 7.569 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.981 7.063 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.814 8.790 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.779 8.646 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.541 9.929 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.225 8.951 3.708 1.00 0.00 H new ATOM 312 N SER A 29 -2.580 6.107 6.012 1.00 0.00 N ATOM 313 CA SER A 29 -2.118 5.053 6.908 1.00 0.00 C ATOM 314 C SER A 29 -2.043 3.719 6.174 1.00 0.00 C ATOM 315 O SER A 29 -2.998 3.313 5.510 1.00 0.00 O ATOM 316 CB SER A 29 -3.048 4.936 8.115 1.00 0.00 C ATOM 317 OG SER A 29 -2.319 4.654 9.297 1.00 0.00 O ATOM 0 H SER A 29 -3.369 5.842 5.423 1.00 0.00 H new ATOM 0 HA SER A 29 -1.119 5.314 7.257 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.604 5.865 8.240 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.780 4.148 7.939 1.00 0.00 H new ATOM 0 HG SER A 29 -2.937 4.586 10.054 1.00 0.00 H new ATOM 323 N VAL A 30 -0.906 3.042 6.293 1.00 0.00 N ATOM 324 CA VAL A 30 -0.713 1.754 5.635 1.00 0.00 C ATOM 325 C VAL A 30 -0.615 0.627 6.656 1.00 0.00 C ATOM 326 O VAL A 30 -0.189 0.837 7.792 1.00 0.00 O ATOM 327 CB VAL A 30 0.554 1.744 4.755 1.00 0.00 C ATOM 328 CG1 VAL A 30 0.442 0.682 3.673 1.00 0.00 C ATOM 329 CG2 VAL A 30 0.795 3.114 4.135 1.00 0.00 C ATOM 0 H VAL A 30 -0.105 3.362 6.838 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.584 1.596 4.999 1.00 0.00 H new ATOM 0 HB VAL A 30 1.407 1.504 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.344 0.689 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.325 -0.298 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.424 0.892 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.694 3.082 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.059 3.389 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.923 3.854 4.925 1.00 0.00 H new ATOM 339 N LYS A 31 -1.016 -0.572 6.244 1.00 0.00 N ATOM 340 CA LYS A 31 -0.978 -1.736 7.120 1.00 0.00 C ATOM 341 C LYS A 31 -0.363 -2.936 6.406 1.00 0.00 C ATOM 342 O LYS A 31 -0.647 -3.186 5.235 1.00 0.00 O ATOM 343 CB LYS A 31 -2.390 -2.063 7.623 1.00 0.00 C ATOM 344 CG LYS A 31 -3.218 -2.889 6.652 1.00 0.00 C ATOM 345 CD LYS A 31 -2.911 -4.367 6.795 1.00 0.00 C ATOM 346 CE LYS A 31 -4.134 -5.223 6.508 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.876 -5.566 7.752 1.00 0.00 N ATOM 0 H LYS A 31 -1.371 -0.762 5.307 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.348 -1.503 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.312 -2.602 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.915 -1.131 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.279 -2.715 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.013 -2.569 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.107 -4.640 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.554 -4.569 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.797 -4.692 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.826 -6.139 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.859 -5.810 7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.420 -6.378 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.868 -4.750 8.397 1.00 0.00 H new ATOM 361 N GLY A 32 0.482 -3.673 7.119 1.00 0.00 N ATOM 362 CA GLY A 32 1.126 -4.837 6.537 1.00 0.00 C ATOM 363 C GLY A 32 0.555 -6.140 7.064 1.00 0.00 C ATOM 364 O GLY A 32 0.189 -6.236 8.235 1.00 0.00 O ATOM 0 H GLY A 32 0.733 -3.485 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.014 -4.807 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.195 -4.801 6.748 1.00 0.00 H new ATOM 368 N ASN A 33 0.480 -7.145 6.196 1.00 0.00 N ATOM 369 CA ASN A 33 -0.050 -8.448 6.580 1.00 0.00 C ATOM 370 C ASN A 33 0.969 -9.551 6.312 1.00 0.00 C ATOM 371 O ASN A 33 1.925 -9.359 5.561 1.00 0.00 O ATOM 372 CB ASN A 33 -1.347 -8.738 5.820 1.00 0.00 C ATOM 373 CG ASN A 33 -2.577 -8.543 6.683 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.578 -7.480 7.479 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 -3.515 -9.338 6.636 1.00 0.00 N flip ATOM 0 H ASN A 33 0.779 -7.081 5.223 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.261 -8.426 7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.409 -8.084 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.326 -9.762 5.448 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.472 -10.142 6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.336 -9.193 7.224 1.00 0.00 H new ATOM 382 N ARG A 34 0.755 -10.707 6.929 1.00 0.00 N ATOM 383 CA ARG A 34 1.652 -11.845 6.758 1.00 0.00 C ATOM 384 C ARG A 34 0.886 -13.070 6.270 1.00 0.00 C ATOM 385 O ARG A 34 -0.269 -13.280 6.644 1.00 0.00 O ATOM 386 CB ARG A 34 2.362 -12.166 8.074 1.00 0.00 C ATOM 387 CG ARG A 34 3.685 -12.892 7.892 1.00 0.00 C ATOM 388 CD ARG A 34 4.871 -11.967 8.119 1.00 0.00 C ATOM 389 NE ARG A 34 5.746 -12.452 9.185 1.00 0.00 N ATOM 390 CZ ARG A 34 5.490 -12.297 10.482 1.00 0.00 C ATOM 391 NH1 ARG A 34 4.387 -11.673 10.879 1.00 0.00 N ATOM 392 NH2 ARG A 34 6.338 -12.767 11.385 1.00 0.00 N ATOM 0 H ARG A 34 -0.033 -10.882 7.553 1.00 0.00 H new ATOM 0 HA ARG A 34 2.397 -11.579 6.008 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.539 -11.238 8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.704 -12.777 8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.739 -13.730 8.587 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.736 -13.309 6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.442 -11.875 7.195 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.510 -10.970 8.371 1.00 0.00 H new ATOM 0 HE ARG A 34 6.603 -12.938 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.730 -11.309 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.197 -11.557 11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.187 -13.247 11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.142 -12.648 12.379 1.00 0.00 H new ATOM 406 N SER A 35 1.535 -13.875 5.435 1.00 0.00 N ATOM 407 CA SER A 35 0.911 -15.080 4.899 1.00 0.00 C ATOM 408 C SER A 35 0.489 -16.018 6.027 1.00 0.00 C ATOM 409 O SER A 35 1.259 -16.279 6.952 1.00 0.00 O ATOM 410 CB SER A 35 1.872 -15.800 3.951 1.00 0.00 C ATOM 411 OG SER A 35 1.225 -16.152 2.740 1.00 0.00 O ATOM 0 H SER A 35 2.490 -13.716 5.115 1.00 0.00 H new ATOM 0 HA SER A 35 0.021 -14.784 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.726 -15.158 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.260 -16.697 4.434 1.00 0.00 H new ATOM 0 HG SER A 35 1.860 -16.609 2.150 1.00 0.00 H new ATOM 417 N LYS A 36 -0.737 -16.523 5.942 1.00 0.00 N ATOM 418 CA LYS A 36 -1.259 -17.432 6.955 1.00 0.00 C ATOM 419 C LYS A 36 -0.866 -18.880 6.663 1.00 0.00 C ATOM 420 O LYS A 36 -1.322 -19.802 7.340 1.00 0.00 O ATOM 421 CB LYS A 36 -2.781 -17.314 7.035 1.00 0.00 C ATOM 422 CG LYS A 36 -3.260 -16.010 7.653 1.00 0.00 C ATOM 423 CD LYS A 36 -3.469 -14.937 6.598 1.00 0.00 C ATOM 424 CE LYS A 36 -3.501 -13.548 7.213 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.517 -12.480 6.177 1.00 0.00 N ATOM 0 H LYS A 36 -1.387 -16.318 5.183 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.822 -17.149 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.197 -17.405 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.171 -18.148 7.619 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.194 -16.182 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.531 -15.664 8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.669 -14.991 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.404 -15.123 6.069 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.383 -13.452 7.846 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.631 -13.416 7.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.648 -11.914 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.571 -12.913 5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.343 -11.866 6.324 1.00 0.00 H new ATOM 439 N GLU A 37 -0.020 -19.077 5.655 1.00 0.00 N ATOM 440 CA GLU A 37 0.426 -20.414 5.284 1.00 0.00 C ATOM 441 C GLU A 37 1.862 -20.660 5.736 1.00 0.00 C ATOM 442 O GLU A 37 2.243 -21.793 6.031 1.00 0.00 O ATOM 443 CB GLU A 37 0.315 -20.608 3.771 1.00 0.00 C ATOM 444 CG GLU A 37 -0.996 -20.106 3.186 1.00 0.00 C ATOM 445 CD GLU A 37 -1.842 -21.221 2.604 1.00 0.00 C ATOM 446 OE1 GLU A 37 -2.122 -22.196 3.333 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.225 -21.120 1.419 1.00 0.00 O ATOM 0 H GLU A 37 0.369 -18.328 5.082 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.219 -21.135 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.142 -20.090 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.424 -21.668 3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.563 -19.593 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.785 -19.372 2.408 1.00 0.00 H new ATOM 454 N ASN A 38 2.657 -19.595 5.786 1.00 0.00 N ATOM 455 CA ASN A 38 4.053 -19.706 6.201 1.00 0.00 C ATOM 456 C ASN A 38 4.560 -18.400 6.809 1.00 0.00 C ATOM 457 O ASN A 38 5.764 -18.143 6.829 1.00 0.00 O ATOM 458 CB ASN A 38 4.938 -20.102 5.012 1.00 0.00 C ATOM 459 CG ASN A 38 4.398 -19.608 3.681 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.858 -18.394 3.672 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 4.465 -20.311 2.673 1.00 0.00 N flip ATOM 0 H ASN A 38 2.361 -18.649 5.546 1.00 0.00 H new ATOM 0 HA ASN A 38 4.107 -20.483 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.940 -19.701 5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.030 -21.188 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.888 -21.238 2.725 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.097 -19.967 1.786 1.00 0.00 H new ATOM 468 N HIS A 39 3.639 -17.579 7.310 1.00 0.00 N ATOM 469 CA HIS A 39 4.003 -16.303 7.922 1.00 0.00 C ATOM 470 C HIS A 39 4.901 -15.484 6.996 1.00 0.00 C ATOM 471 O HIS A 39 5.823 -14.806 7.450 1.00 0.00 O ATOM 472 CB HIS A 39 4.709 -16.541 9.258 1.00 0.00 C ATOM 473 CG HIS A 39 3.778 -16.558 10.432 1.00 0.00 C ATOM 474 ND1 HIS A 39 3.742 -17.588 11.348 1.00 0.00 N ATOM 475 CD2 HIS A 39 2.845 -15.664 10.836 1.00 0.00 C ATOM 476 CE1 HIS A 39 2.826 -17.327 12.264 1.00 0.00 C ATOM 477 NE2 HIS A 39 2.269 -16.166 11.977 1.00 0.00 N ATOM 0 H HIS A 39 2.638 -17.774 7.304 1.00 0.00 H new ATOM 0 HA HIS A 39 3.087 -15.739 8.095 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.242 -17.491 9.214 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.457 -15.762 9.409 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.600 -14.731 10.351 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.576 -17.957 13.105 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.530 -15.714 12.516 1.00 0.00 H new ATOM 486 N ALA A 40 4.625 -15.554 5.698 1.00 0.00 N ATOM 487 CA ALA A 40 5.407 -14.820 4.710 1.00 0.00 C ATOM 488 C ALA A 40 4.873 -13.403 4.528 1.00 0.00 C ATOM 489 O ALA A 40 3.708 -13.207 4.181 1.00 0.00 O ATOM 490 CB ALA A 40 5.407 -15.562 3.381 1.00 0.00 C ATOM 0 H ALA A 40 3.866 -16.111 5.306 1.00 0.00 H new ATOM 0 HA ALA A 40 6.432 -14.749 5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.994 -15.003 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.843 -16.552 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.383 -15.663 3.021 1.00 0.00 H new ATOM 496 N ASP A 41 5.734 -12.417 4.763 1.00 0.00 N ATOM 497 CA ASP A 41 5.350 -11.017 4.624 1.00 0.00 C ATOM 498 C ASP A 41 4.828 -10.730 3.219 1.00 0.00 C ATOM 499 O ASP A 41 5.596 -10.704 2.256 1.00 0.00 O ATOM 500 CB ASP A 41 6.539 -10.106 4.935 1.00 0.00 C ATOM 501 CG ASP A 41 7.249 -10.500 6.215 1.00 0.00 C ATOM 502 OD1 ASP A 41 8.062 -11.448 6.177 1.00 0.00 O ATOM 503 OD2 ASP A 41 6.994 -9.860 7.258 1.00 0.00 O ATOM 0 H ASP A 41 6.702 -12.562 5.050 1.00 0.00 H new ATOM 0 HA ASP A 41 4.550 -10.815 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.246 -10.139 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.192 -9.076 5.017 1.00 0.00 H new ATOM 508 N LEU A 42 3.521 -10.517 3.110 1.00 0.00 N ATOM 509 CA LEU A 42 2.898 -10.234 1.822 1.00 0.00 C ATOM 510 C LEU A 42 3.183 -8.802 1.382 1.00 0.00 C ATOM 511 O LEU A 42 3.350 -8.527 0.194 1.00 0.00 O ATOM 512 CB LEU A 42 1.387 -10.464 1.901 1.00 0.00 C ATOM 513 CG LEU A 42 0.969 -11.844 2.411 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.412 -11.782 3.046 1.00 0.00 C ATOM 515 CD2 LEU A 42 0.992 -12.860 1.279 1.00 0.00 C ATOM 0 H LEU A 42 2.873 -10.535 3.897 1.00 0.00 H new ATOM 0 HA LEU A 42 3.324 -10.913 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.953 -9.706 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.960 -10.315 0.909 1.00 0.00 H new ATOM 0 HG LEU A 42 1.683 -12.161 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.693 -12.773 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.396 -11.085 3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.138 -11.444 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.692 -13.836 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.301 -12.548 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.000 -12.925 0.869 1.00 0.00 H new ATOM 527 N GLY A 43 3.236 -7.891 2.349 1.00 0.00 N ATOM 528 CA GLY A 43 3.501 -6.497 2.043 1.00 0.00 C ATOM 529 C GLY A 43 2.575 -5.553 2.782 1.00 0.00 C ATOM 530 O GLY A 43 1.976 -5.926 3.791 1.00 0.00 O ATOM 0 H GLY A 43 3.100 -8.094 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.534 -6.262 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.395 -6.338 0.970 1.00 0.00 H new ATOM 534 N ILE A 44 2.460 -4.327 2.282 1.00 0.00 N ATOM 535 CA ILE A 44 1.600 -3.324 2.901 1.00 0.00 C ATOM 536 C ILE A 44 0.546 -2.831 1.915 1.00 0.00 C ATOM 537 O ILE A 44 0.680 -3.008 0.706 1.00 0.00 O ATOM 538 CB ILE A 44 2.407 -2.108 3.426 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.887 -2.225 3.056 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.254 -1.975 4.934 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.613 -3.335 3.791 1.00 0.00 C ATOM 0 H ILE A 44 2.952 -4.004 1.449 1.00 0.00 H new ATOM 0 HA ILE A 44 1.116 -3.810 3.748 1.00 0.00 H new ATOM 0 HB ILE A 44 2.006 -1.213 2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.972 -2.396 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.381 -1.277 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.827 -1.116 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.202 -1.834 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.623 -2.879 5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.657 -3.357 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.560 -3.155 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.144 -4.292 3.560 1.00 0.00 H new ATOM 553 N PHE A 45 -0.505 -2.210 2.443 1.00 0.00 N ATOM 554 CA PHE A 45 -1.585 -1.691 1.607 1.00 0.00 C ATOM 555 C PHE A 45 -2.246 -0.487 2.269 1.00 0.00 C ATOM 556 O PHE A 45 -2.326 -0.409 3.496 1.00 0.00 O ATOM 557 CB PHE A 45 -2.636 -2.777 1.333 1.00 0.00 C ATOM 558 CG PHE A 45 -2.231 -4.154 1.785 1.00 0.00 C ATOM 559 CD1 PHE A 45 -2.129 -4.452 3.135 1.00 0.00 C ATOM 560 CD2 PHE A 45 -1.955 -5.148 0.860 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.757 -5.716 3.553 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.583 -6.414 1.272 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.485 -6.698 2.621 1.00 0.00 C ATOM 0 H PHE A 45 -0.632 -2.054 3.443 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.151 -1.378 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.565 -2.502 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.844 -2.804 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.343 -3.688 3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.031 -4.931 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.679 -5.935 4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.369 -7.180 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.196 -7.687 2.946 1.00 0.00 H new ATOM 573 N VAL A 46 -2.726 0.450 1.455 1.00 0.00 N ATOM 574 CA VAL A 46 -3.385 1.646 1.972 1.00 0.00 C ATOM 575 C VAL A 46 -4.508 1.269 2.937 1.00 0.00 C ATOM 576 O VAL A 46 -5.573 0.816 2.521 1.00 0.00 O ATOM 577 CB VAL A 46 -3.962 2.509 0.829 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.571 3.794 1.375 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.886 2.821 -0.201 1.00 0.00 C ATOM 0 H VAL A 46 -2.671 0.404 0.437 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.631 2.227 2.503 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.753 1.940 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.971 4.386 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.374 3.549 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.804 4.368 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.312 3.430 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.072 3.366 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.503 1.891 -0.620 1.00 0.00 H new ATOM 589 N LYS A 47 -4.254 1.450 4.228 1.00 0.00 N ATOM 590 CA LYS A 47 -5.230 1.119 5.258 1.00 0.00 C ATOM 591 C LYS A 47 -6.269 2.226 5.410 1.00 0.00 C ATOM 592 O LYS A 47 -7.439 1.957 5.685 1.00 0.00 O ATOM 593 CB LYS A 47 -4.521 0.875 6.594 1.00 0.00 C ATOM 594 CG LYS A 47 -5.465 0.677 7.769 1.00 0.00 C ATOM 595 CD LYS A 47 -6.199 -0.652 7.678 1.00 0.00 C ATOM 596 CE LYS A 47 -7.640 -0.464 7.230 1.00 0.00 C ATOM 597 NZ LYS A 47 -8.524 -1.550 7.736 1.00 0.00 N ATOM 0 H LYS A 47 -3.376 1.826 4.587 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.748 0.209 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.885 -0.005 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.866 1.720 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.901 0.719 8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.188 1.492 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.682 -1.307 6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.181 -1.146 8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.008 0.499 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.682 -0.440 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.498 -1.386 7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.188 -2.467 7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.505 -1.557 8.776 1.00 0.00 H new ATOM 611 N SER A 48 -5.837 3.467 5.237 1.00 0.00 N ATOM 612 CA SER A 48 -6.736 4.608 5.362 1.00 0.00 C ATOM 613 C SER A 48 -6.131 5.851 4.725 1.00 0.00 C ATOM 614 O SER A 48 -4.956 5.864 4.357 1.00 0.00 O ATOM 615 CB SER A 48 -7.049 4.877 6.836 1.00 0.00 C ATOM 616 OG SER A 48 -8.390 5.306 7.002 1.00 0.00 O ATOM 0 H SER A 48 -4.873 3.710 5.010 1.00 0.00 H new ATOM 0 HA SER A 48 -7.661 4.368 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.879 3.972 7.418 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.370 5.637 7.223 1.00 0.00 H new ATOM 0 HG SER A 48 -8.566 5.470 7.952 1.00 0.00 H new ATOM 622 N ILE A 49 -6.941 6.898 4.597 1.00 0.00 N ATOM 623 CA ILE A 49 -6.486 8.146 4.002 1.00 0.00 C ATOM 624 C ILE A 49 -7.025 9.348 4.765 1.00 0.00 C ATOM 625 O ILE A 49 -8.043 9.262 5.450 1.00 0.00 O ATOM 626 CB ILE A 49 -6.917 8.255 2.526 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.595 6.956 1.781 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.252 9.448 1.856 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.955 6.990 0.311 1.00 0.00 C ATOM 0 H ILE A 49 -7.916 6.905 4.898 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.397 8.143 4.057 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.995 8.412 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.530 6.746 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.128 6.133 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.571 9.505 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.539 10.363 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.169 9.332 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.698 6.036 -0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.025 7.168 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.402 7.790 -0.181 1.00 0.00 H new ATOM 641 N ILE A 50 -6.331 10.470 4.631 1.00 0.00 N ATOM 642 CA ILE A 50 -6.722 11.703 5.293 1.00 0.00 C ATOM 643 C ILE A 50 -7.187 12.720 4.260 1.00 0.00 C ATOM 644 O ILE A 50 -6.373 13.292 3.537 1.00 0.00 O ATOM 645 CB ILE A 50 -5.558 12.313 6.109 1.00 0.00 C ATOM 646 CG1 ILE A 50 -5.148 11.399 7.273 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.950 13.685 6.640 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.705 10.014 6.860 1.00 0.00 C ATOM 0 H ILE A 50 -5.487 10.549 4.064 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.533 11.461 5.980 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.702 12.415 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.338 11.876 7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.990 11.307 7.960 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.122 14.104 7.213 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.184 14.345 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.825 13.590 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.435 9.439 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.519 9.513 6.337 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.841 10.090 6.199 1.00 0.00 H new ATOM 660 N ASN A 51 -8.493 12.935 4.190 1.00 0.00 N ATOM 661 CA ASN A 51 -9.062 13.882 3.235 1.00 0.00 C ATOM 662 C ASN A 51 -8.686 15.313 3.605 1.00 0.00 C ATOM 663 O ASN A 51 -9.540 16.117 3.978 1.00 0.00 O ATOM 664 CB ASN A 51 -10.588 13.748 3.175 1.00 0.00 C ATOM 665 CG ASN A 51 -11.068 12.331 3.430 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.299 12.008 4.698 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.228 11.539 2.501 1.00 0.00 N flip ATOM 0 H ASN A 51 -9.180 12.468 4.782 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.650 13.650 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.035 14.416 3.911 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.938 14.074 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.038 11.832 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.551 10.590 2.690 1.00 0.00 H new ATOM 674 N GLY A 52 -7.401 15.620 3.499 1.00 0.00 N ATOM 675 CA GLY A 52 -6.926 16.949 3.825 1.00 0.00 C ATOM 676 C GLY A 52 -5.545 17.233 3.264 1.00 0.00 C ATOM 677 O GLY A 52 -5.217 18.381 2.964 1.00 0.00 O ATOM 0 H GLY A 52 -6.677 14.970 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.629 17.686 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.905 17.067 4.908 1.00 0.00 H new ATOM 681 N GLY A 53 -4.730 16.190 3.122 1.00 0.00 N ATOM 682 CA GLY A 53 -3.390 16.369 2.597 1.00 0.00 C ATOM 683 C GLY A 53 -3.203 15.746 1.230 1.00 0.00 C ATOM 684 O GLY A 53 -4.169 15.383 0.559 1.00 0.00 O ATOM 0 H GLY A 53 -4.974 15.229 3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.168 17.435 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.672 15.932 3.291 1.00 0.00 H new ATOM 688 N ALA A 54 -1.948 15.638 0.817 1.00 0.00 N ATOM 689 CA ALA A 54 -1.590 15.074 -0.479 1.00 0.00 C ATOM 690 C ALA A 54 -2.398 13.832 -0.838 1.00 0.00 C ATOM 691 O ALA A 54 -2.995 13.766 -1.909 1.00 0.00 O ATOM 692 CB ALA A 54 -0.112 14.746 -0.489 1.00 0.00 C ATOM 0 H ALA A 54 -1.147 15.939 1.372 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.824 15.825 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.160 14.324 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.464 15.655 -0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.105 14.023 0.297 1.00 0.00 H new ATOM 698 N ALA A 55 -2.396 12.843 0.045 1.00 0.00 N ATOM 699 CA ALA A 55 -3.116 11.596 -0.208 1.00 0.00 C ATOM 700 C ALA A 55 -4.563 11.857 -0.618 1.00 0.00 C ATOM 701 O ALA A 55 -5.147 11.091 -1.383 1.00 0.00 O ATOM 702 CB ALA A 55 -3.062 10.693 1.012 1.00 0.00 C ATOM 0 H ALA A 55 -1.907 12.876 0.940 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.623 11.092 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.603 9.770 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.023 10.460 1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.521 11.200 1.861 1.00 0.00 H new ATOM 708 N SER A 56 -5.132 12.946 -0.115 1.00 0.00 N ATOM 709 CA SER A 56 -6.506 13.305 -0.445 1.00 0.00 C ATOM 710 C SER A 56 -6.571 13.951 -1.820 1.00 0.00 C ATOM 711 O SER A 56 -7.273 13.481 -2.716 1.00 0.00 O ATOM 712 CB SER A 56 -7.071 14.271 0.593 1.00 0.00 C ATOM 713 OG SER A 56 -6.581 15.586 0.395 1.00 0.00 O ATOM 0 H SER A 56 -4.666 13.593 0.520 1.00 0.00 H new ATOM 0 HA SER A 56 -7.102 12.392 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.159 14.274 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.806 13.929 1.593 1.00 0.00 H new ATOM 0 HG SER A 56 -5.698 15.672 0.810 1.00 0.00 H new ATOM 719 N LYS A 57 -5.832 15.043 -1.969 1.00 0.00 N ATOM 720 CA LYS A 57 -5.791 15.786 -3.227 1.00 0.00 C ATOM 721 C LYS A 57 -5.254 14.930 -4.370 1.00 0.00 C ATOM 722 O LYS A 57 -5.542 15.193 -5.538 1.00 0.00 O ATOM 723 CB LYS A 57 -4.946 17.059 -3.084 1.00 0.00 C ATOM 724 CG LYS A 57 -3.706 16.898 -2.216 1.00 0.00 C ATOM 725 CD LYS A 57 -3.640 17.966 -1.136 1.00 0.00 C ATOM 726 CE LYS A 57 -2.210 18.410 -0.879 1.00 0.00 C ATOM 727 NZ LYS A 57 -2.140 19.827 -0.424 1.00 0.00 N ATOM 0 H LYS A 57 -5.249 15.437 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.816 16.067 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.639 17.390 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.569 17.848 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.710 15.911 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.814 16.954 -2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.241 18.825 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.073 17.580 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.760 17.764 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.624 18.292 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.147 20.090 -0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.546 20.446 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.677 19.935 0.460 1.00 0.00 H new ATOM 741 N ASP A 58 -4.470 13.909 -4.036 1.00 0.00 N ATOM 742 CA ASP A 58 -3.898 13.027 -5.049 1.00 0.00 C ATOM 743 C ASP A 58 -4.994 12.348 -5.865 1.00 0.00 C ATOM 744 O ASP A 58 -4.965 12.364 -7.095 1.00 0.00 O ATOM 745 CB ASP A 58 -3.002 11.974 -4.400 1.00 0.00 C ATOM 746 CG ASP A 58 -1.554 12.119 -4.823 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.103 13.269 -5.002 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.876 11.083 -4.983 1.00 0.00 O ATOM 0 H ASP A 58 -4.217 13.672 -3.077 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.295 13.638 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.073 12.057 -3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.360 10.980 -4.667 1.00 0.00 H new ATOM 753 N GLY A 59 -5.959 11.751 -5.171 1.00 0.00 N ATOM 754 CA GLY A 59 -7.049 11.075 -5.848 1.00 0.00 C ATOM 755 C GLY A 59 -6.578 9.873 -6.644 1.00 0.00 C ATOM 756 O GLY A 59 -7.017 9.657 -7.774 1.00 0.00 O ATOM 0 H GLY A 59 -6.005 11.724 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.787 10.754 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.549 11.776 -6.516 1.00 0.00 H new ATOM 760 N ARG A 60 -5.677 9.092 -6.057 1.00 0.00 N ATOM 761 CA ARG A 60 -5.141 7.906 -6.720 1.00 0.00 C ATOM 762 C ARG A 60 -4.981 6.760 -5.730 1.00 0.00 C ATOM 763 O ARG A 60 -5.518 5.672 -5.927 1.00 0.00 O ATOM 764 CB ARG A 60 -3.796 8.226 -7.367 1.00 0.00 C ATOM 765 CG ARG A 60 -3.781 9.569 -8.073 1.00 0.00 C ATOM 766 CD ARG A 60 -2.368 10.047 -8.352 1.00 0.00 C ATOM 767 NE ARG A 60 -2.130 11.357 -7.760 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.184 12.198 -8.169 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.367 11.862 -9.159 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.052 13.382 -7.585 1.00 0.00 N ATOM 0 H ARG A 60 -5.302 9.258 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.845 7.600 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.020 8.215 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.548 7.443 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.330 9.492 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.299 10.307 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.652 9.329 -7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.203 10.096 -9.428 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.725 11.647 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.462 10.953 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.356 12.513 -9.467 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.676 13.647 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.327 14.027 -7.898 1.00 0.00 H new ATOM 784 N LEU A 61 -4.239 7.026 -4.661 1.00 0.00 N ATOM 785 CA LEU A 61 -3.995 6.038 -3.613 1.00 0.00 C ATOM 786 C LEU A 61 -5.302 5.394 -3.158 1.00 0.00 C ATOM 787 O LEU A 61 -5.968 5.893 -2.251 1.00 0.00 O ATOM 788 CB LEU A 61 -3.304 6.706 -2.421 1.00 0.00 C ATOM 789 CG LEU A 61 -3.798 8.117 -2.111 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.910 8.329 -0.616 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.878 9.159 -2.731 1.00 0.00 C ATOM 0 H LEU A 61 -3.791 7.927 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.350 5.259 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.447 6.083 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.232 6.744 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.790 8.233 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.264 9.341 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.615 7.610 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.932 8.189 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.249 10.157 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.872 9.042 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.853 9.025 -3.812 1.00 0.00 H new ATOM 803 N ARG A 62 -5.665 4.289 -3.798 1.00 0.00 N ATOM 804 CA ARG A 62 -6.897 3.585 -3.464 1.00 0.00 C ATOM 805 C ARG A 62 -6.707 2.693 -2.246 1.00 0.00 C ATOM 806 O ARG A 62 -5.791 1.875 -2.199 1.00 0.00 O ATOM 807 CB ARG A 62 -7.373 2.753 -4.657 1.00 0.00 C ATOM 808 CG ARG A 62 -8.827 2.996 -5.027 1.00 0.00 C ATOM 809 CD ARG A 62 -9.052 4.430 -5.482 1.00 0.00 C ATOM 810 NE ARG A 62 -8.132 4.817 -6.548 1.00 0.00 N ATOM 811 CZ ARG A 62 -8.256 4.421 -7.814 1.00 0.00 C ATOM 812 NH1 ARG A 62 -9.259 3.629 -8.174 1.00 0.00 N ATOM 813 NH2 ARG A 62 -7.375 4.820 -8.721 1.00 0.00 N ATOM 0 H ARG A 62 -5.125 3.862 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.656 4.330 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.745 2.977 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.236 1.696 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.121 2.310 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.463 2.781 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.079 4.543 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.928 5.103 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.349 5.426 -6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.940 3.321 -7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.349 3.329 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.604 5.429 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.469 4.518 -9.691 1.00 0.00 H new ATOM 827 N VAL A 63 -7.588 2.850 -1.264 1.00 0.00 N ATOM 828 CA VAL A 63 -7.520 2.047 -0.050 1.00 0.00 C ATOM 829 C VAL A 63 -7.422 0.568 -0.398 1.00 0.00 C ATOM 830 O VAL A 63 -8.006 0.116 -1.382 1.00 0.00 O ATOM 831 CB VAL A 63 -8.744 2.277 0.857 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.518 1.648 2.223 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.039 3.764 0.992 1.00 0.00 C ATOM 0 H VAL A 63 -8.354 3.523 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.628 2.358 0.493 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.609 1.799 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.392 1.819 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.358 0.576 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.641 2.097 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.907 3.906 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.177 4.268 1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.245 4.185 0.008 1.00 0.00 H new ATOM 843 N ASN A 64 -6.665 -0.173 0.404 1.00 0.00 N ATOM 844 CA ASN A 64 -6.465 -1.606 0.191 1.00 0.00 C ATOM 845 C ASN A 64 -5.452 -1.877 -0.927 1.00 0.00 C ATOM 846 O ASN A 64 -5.007 -3.011 -1.096 1.00 0.00 O ATOM 847 CB ASN A 64 -7.791 -2.318 -0.113 1.00 0.00 C ATOM 848 CG ASN A 64 -8.374 -2.994 1.110 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.145 -4.181 1.348 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.135 -2.241 1.897 1.00 0.00 N ATOM 0 H ASN A 64 -6.174 0.199 1.217 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.062 -2.009 1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.508 -1.595 -0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.631 -3.061 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.555 -2.642 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.299 -1.262 1.663 1.00 0.00 H new ATOM 857 N ASP A 65 -5.075 -0.840 -1.682 1.00 0.00 N ATOM 858 CA ASP A 65 -4.103 -1.010 -2.759 1.00 0.00 C ATOM 859 C ASP A 65 -2.788 -1.544 -2.200 1.00 0.00 C ATOM 860 O ASP A 65 -2.351 -1.132 -1.127 1.00 0.00 O ATOM 861 CB ASP A 65 -3.861 0.316 -3.484 1.00 0.00 C ATOM 862 CG ASP A 65 -4.953 0.639 -4.487 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.883 -0.183 -4.642 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.879 1.714 -5.120 1.00 0.00 O ATOM 0 H ASP A 65 -5.424 0.112 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.505 -1.728 -3.474 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.796 1.120 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.901 0.275 -3.998 1.00 0.00 H new ATOM 869 N GLN A 66 -2.165 -2.469 -2.922 1.00 0.00 N ATOM 870 CA GLN A 66 -0.908 -3.060 -2.477 1.00 0.00 C ATOM 871 C GLN A 66 0.281 -2.194 -2.876 1.00 0.00 C ATOM 872 O GLN A 66 0.395 -1.771 -4.025 1.00 0.00 O ATOM 873 CB GLN A 66 -0.746 -4.466 -3.059 1.00 0.00 C ATOM 874 CG GLN A 66 0.051 -5.406 -2.169 1.00 0.00 C ATOM 875 CD GLN A 66 1.521 -5.040 -2.106 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.253 -5.345 -3.172 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.994 -4.491 -1.111 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.508 -2.825 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.936 -3.123 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.733 -4.894 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.254 -4.394 -4.029 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.367 -5.390 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.050 -6.426 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.395 -4.275 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.985 -4.252 -1.083 1.00 0.00 H new ATOM 886 N LEU A 67 1.169 -1.939 -1.919 1.00 0.00 N ATOM 887 CA LEU A 67 2.355 -1.130 -2.173 1.00 0.00 C ATOM 888 C LEU A 67 3.470 -1.988 -2.763 1.00 0.00 C ATOM 889 O LEU A 67 3.676 -3.126 -2.342 1.00 0.00 O ATOM 890 CB LEU A 67 2.833 -0.466 -0.880 1.00 0.00 C ATOM 891 CG LEU A 67 1.912 0.627 -0.335 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.465 1.188 0.967 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.729 1.735 -1.363 1.00 0.00 C ATOM 0 H LEU A 67 1.089 -2.281 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 67 2.094 -0.353 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.951 -1.235 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.819 -0.036 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 67 0.936 0.186 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.798 1.964 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.541 0.389 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.453 1.613 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.071 2.503 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.698 2.175 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.287 1.321 -2.269 1.00 0.00 H new ATOM 905 N ILE A 68 4.181 -1.442 -3.743 1.00 0.00 N ATOM 906 CA ILE A 68 5.268 -2.172 -4.389 1.00 0.00 C ATOM 907 C ILE A 68 6.557 -1.357 -4.412 1.00 0.00 C ATOM 908 O ILE A 68 7.639 -1.889 -4.166 1.00 0.00 O ATOM 909 CB ILE A 68 4.899 -2.564 -5.831 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.514 -3.217 -5.869 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.947 -3.501 -6.411 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.081 -3.637 -7.257 1.00 0.00 C ATOM 0 H ILE A 68 4.026 -0.502 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 68 5.429 -3.074 -3.799 1.00 0.00 H new ATOM 0 HB ILE A 68 4.871 -1.660 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.515 -4.091 -5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.781 -2.519 -5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.671 -3.769 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.917 -3.004 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.005 -4.403 -5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.092 -4.092 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.047 -2.763 -7.907 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.792 -4.359 -7.657 1.00 0.00 H new ATOM 924 N ALA A 69 6.440 -0.069 -4.719 1.00 0.00 N ATOM 925 CA ALA A 69 7.609 0.801 -4.779 1.00 0.00 C ATOM 926 C ALA A 69 7.294 2.199 -4.263 1.00 0.00 C ATOM 927 O ALA A 69 6.132 2.565 -4.090 1.00 0.00 O ATOM 928 CB ALA A 69 8.137 0.873 -6.204 1.00 0.00 C ATOM 0 H ALA A 69 5.555 0.393 -4.929 1.00 0.00 H new ATOM 0 HA ALA A 69 8.376 0.373 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.010 1.525 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.418 -0.126 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.362 1.271 -6.859 1.00 0.00 H new ATOM 934 N VAL A 70 8.343 2.977 -4.020 1.00 0.00 N ATOM 935 CA VAL A 70 8.193 4.340 -3.523 1.00 0.00 C ATOM 936 C VAL A 70 9.435 5.174 -3.835 1.00 0.00 C ATOM 937 O VAL A 70 10.476 5.018 -3.198 1.00 0.00 O ATOM 938 CB VAL A 70 7.925 4.351 -2.005 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.097 3.749 -1.244 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.630 5.764 -1.520 1.00 0.00 C ATOM 0 H VAL A 70 9.310 2.686 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 70 7.336 4.781 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 70 7.046 3.736 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.885 3.768 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.249 2.719 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.998 4.329 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.444 5.749 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.485 6.407 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.750 6.149 -2.035 1.00 0.00 H new ATOM 950 N ASN A 71 9.321 6.054 -4.829 1.00 0.00 N ATOM 951 CA ASN A 71 10.436 6.907 -5.233 1.00 0.00 C ATOM 952 C ASN A 71 11.640 6.063 -5.635 1.00 0.00 C ATOM 953 O ASN A 71 12.786 6.433 -5.374 1.00 0.00 O ATOM 954 CB ASN A 71 10.832 7.860 -4.103 1.00 0.00 C ATOM 955 CG ASN A 71 9.635 8.467 -3.406 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.037 9.426 -3.894 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.281 7.912 -2.257 1.00 0.00 N ATOM 0 H ASN A 71 8.467 6.194 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 71 10.110 7.495 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.437 7.321 -3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.455 8.658 -4.507 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.483 8.278 -1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.806 7.118 -1.891 1.00 0.00 H new ATOM 964 N GLY A 72 11.374 4.924 -6.261 1.00 0.00 N ATOM 965 CA GLY A 72 12.448 4.044 -6.679 1.00 0.00 C ATOM 966 C GLY A 72 12.734 2.960 -5.658 1.00 0.00 C ATOM 967 O GLY A 72 13.329 1.932 -5.985 1.00 0.00 O ATOM 0 H GLY A 72 10.436 4.594 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.187 3.583 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.351 4.631 -6.846 1.00 0.00 H new ATOM 971 N GLU A 73 12.303 3.184 -4.418 1.00 0.00 N ATOM 972 CA GLU A 73 12.512 2.214 -3.352 1.00 0.00 C ATOM 973 C GLU A 73 11.614 1.000 -3.556 1.00 0.00 C ATOM 974 O GLU A 73 10.428 1.026 -3.226 1.00 0.00 O ATOM 975 CB GLU A 73 12.245 2.849 -1.986 1.00 0.00 C ATOM 976 CG GLU A 73 13.396 2.694 -1.007 1.00 0.00 C ATOM 977 CD GLU A 73 14.418 3.808 -1.129 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.072 4.966 -0.815 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.563 3.522 -1.535 1.00 0.00 O ATOM 0 H GLU A 73 11.808 4.028 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 73 13.552 1.888 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.036 3.910 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.350 2.401 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.004 2.675 0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.886 1.736 -1.177 1.00 0.00 H new ATOM 986 N SER A 74 12.189 -0.060 -4.108 1.00 0.00 N ATOM 987 CA SER A 74 11.453 -1.287 -4.367 1.00 0.00 C ATOM 988 C SER A 74 11.126 -2.004 -3.064 1.00 0.00 C ATOM 989 O SER A 74 11.972 -2.685 -2.488 1.00 0.00 O ATOM 990 CB SER A 74 12.258 -2.209 -5.283 1.00 0.00 C ATOM 991 OG SER A 74 13.514 -2.531 -4.708 1.00 0.00 O ATOM 0 H SER A 74 13.170 -0.093 -4.386 1.00 0.00 H new ATOM 0 HA SER A 74 10.519 -1.024 -4.863 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.695 -3.123 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.410 -1.726 -6.248 1.00 0.00 H new ATOM 0 HG SER A 74 13.408 -2.659 -3.742 1.00 0.00 H new ATOM 997 N LEU A 75 9.892 -1.842 -2.607 1.00 0.00 N ATOM 998 CA LEU A 75 9.448 -2.469 -1.372 1.00 0.00 C ATOM 999 C LEU A 75 9.488 -3.993 -1.482 1.00 0.00 C ATOM 1000 O LEU A 75 9.437 -4.695 -0.472 1.00 0.00 O ATOM 1001 CB LEU A 75 8.036 -2.000 -1.019 1.00 0.00 C ATOM 1002 CG LEU A 75 7.961 -0.659 -0.282 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.541 -0.387 0.185 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.924 -0.641 0.900 1.00 0.00 C ATOM 0 H LEU A 75 9.180 -1.281 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 75 10.130 -2.170 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.455 -1.925 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.560 -2.763 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 75 8.254 0.130 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.506 0.570 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.874 -0.355 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.222 -1.180 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.856 0.320 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.663 -1.440 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.943 -0.790 0.542 1.00 0.00 H new ATOM 1016 N LEU A 76 9.587 -4.503 -2.710 1.00 0.00 N ATOM 1017 CA LEU A 76 9.643 -5.944 -2.938 1.00 0.00 C ATOM 1018 C LEU A 76 10.711 -6.589 -2.058 1.00 0.00 C ATOM 1019 O LEU A 76 11.902 -6.529 -2.363 1.00 0.00 O ATOM 1020 CB LEU A 76 9.934 -6.238 -4.411 1.00 0.00 C ATOM 1021 CG LEU A 76 8.711 -6.222 -5.327 1.00 0.00 C ATOM 1022 CD1 LEU A 76 9.099 -5.774 -6.727 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.059 -7.596 -5.366 1.00 0.00 C ATOM 0 H LEU A 76 9.630 -3.940 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 76 8.674 -6.368 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.653 -5.505 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.411 -7.216 -4.483 1.00 0.00 H new ATOM 0 HG LEU A 76 7.989 -5.510 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.215 -5.769 -7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.521 -4.770 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.839 -6.462 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.190 -7.568 -6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.774 -8.328 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.746 -7.879 -4.361 1.00 0.00 H new ATOM 1035 N GLY A 77 10.272 -7.193 -0.961 1.00 0.00 N ATOM 1036 CA GLY A 77 11.196 -7.831 -0.042 1.00 0.00 C ATOM 1037 C GLY A 77 11.039 -7.299 1.368 1.00 0.00 C ATOM 1038 O GLY A 77 11.029 -8.064 2.332 1.00 0.00 O ATOM 0 H GLY A 77 9.290 -7.253 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.028 -8.908 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.219 -7.667 -0.381 1.00 0.00 H new ATOM 1042 N LYS A 78 10.905 -5.982 1.483 1.00 0.00 N ATOM 1043 CA LYS A 78 10.733 -5.339 2.779 1.00 0.00 C ATOM 1044 C LYS A 78 9.463 -5.829 3.454 1.00 0.00 C ATOM 1045 O LYS A 78 8.360 -5.642 2.939 1.00 0.00 O ATOM 1046 CB LYS A 78 10.674 -3.821 2.615 1.00 0.00 C ATOM 1047 CG LYS A 78 12.040 -3.158 2.573 1.00 0.00 C ATOM 1048 CD LYS A 78 11.960 -1.706 3.013 1.00 0.00 C ATOM 1049 CE LYS A 78 13.202 -1.288 3.777 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.275 -0.794 2.870 1.00 0.00 N ATOM 0 H LYS A 78 10.912 -5.338 0.692 1.00 0.00 H new ATOM 0 HA LYS A 78 11.588 -5.599 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.137 -3.584 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.099 -3.397 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.730 -3.699 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.443 -3.213 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.836 -1.066 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.080 -1.563 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.943 -0.506 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.575 -2.135 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.144 -0.631 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.459 -1.503 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.972 0.097 2.427 1.00 0.00 H new ATOM 1064 N ALA A 79 9.626 -6.453 4.611 1.00 0.00 N ATOM 1065 CA ALA A 79 8.495 -6.966 5.363 1.00 0.00 C ATOM 1066 C ALA A 79 7.503 -5.850 5.658 1.00 0.00 C ATOM 1067 O ALA A 79 7.658 -4.726 5.179 1.00 0.00 O ATOM 1068 CB ALA A 79 8.979 -7.612 6.651 1.00 0.00 C ATOM 0 H ALA A 79 10.533 -6.616 5.049 1.00 0.00 H new ATOM 0 HA ALA A 79 7.986 -7.722 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.125 -7.994 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.655 -8.434 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.505 -6.872 7.254 1.00 0.00 H new ATOM 1074 N ASN A 80 6.486 -6.161 6.446 1.00 0.00 N ATOM 1075 CA ASN A 80 5.473 -5.174 6.794 1.00 0.00 C ATOM 1076 C ASN A 80 6.105 -3.958 7.465 1.00 0.00 C ATOM 1077 O ASN A 80 5.906 -2.826 7.028 1.00 0.00 O ATOM 1078 CB ASN A 80 4.418 -5.795 7.714 1.00 0.00 C ATOM 1079 CG ASN A 80 5.028 -6.644 8.812 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.394 -6.139 9.873 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.141 -7.943 8.561 1.00 0.00 N ATOM 0 H ASN A 80 6.339 -7.084 6.855 1.00 0.00 H new ATOM 0 HA ASN A 80 4.990 -4.845 5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.821 -5.001 8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.739 -6.408 7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.544 -8.565 9.262 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.824 -8.319 7.667 1.00 0.00 H new ATOM 1088 N GLN A 81 6.863 -4.194 8.530 1.00 0.00 N ATOM 1089 CA GLN A 81 7.511 -3.108 9.253 1.00 0.00 C ATOM 1090 C GLN A 81 8.629 -2.471 8.425 1.00 0.00 C ATOM 1091 O GLN A 81 8.846 -1.261 8.492 1.00 0.00 O ATOM 1092 CB GLN A 81 8.043 -3.602 10.605 1.00 0.00 C ATOM 1093 CG GLN A 81 9.405 -4.273 10.538 1.00 0.00 C ATOM 1094 CD GLN A 81 9.326 -5.720 10.099 1.00 0.00 C ATOM 1095 OE1 GLN A 81 10.108 -6.072 9.086 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 8.571 -6.513 10.662 1.00 0.00 N flip ATOM 0 H GLN A 81 7.043 -5.123 8.910 1.00 0.00 H new ATOM 0 HA GLN A 81 6.763 -2.338 9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.102 -2.756 11.289 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.326 -4.305 11.029 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.042 -3.723 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.879 -4.221 11.518 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.987 -6.199 11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.529 -7.484 10.353 1.00 0.00 H new ATOM 1105 N GLU A 82 9.336 -3.287 7.645 1.00 0.00 N ATOM 1106 CA GLU A 82 10.421 -2.789 6.810 1.00 0.00 C ATOM 1107 C GLU A 82 9.892 -1.796 5.794 1.00 0.00 C ATOM 1108 O GLU A 82 10.368 -0.666 5.697 1.00 0.00 O ATOM 1109 CB GLU A 82 11.102 -3.949 6.084 1.00 0.00 C ATOM 1110 CG GLU A 82 12.438 -4.325 6.682 1.00 0.00 C ATOM 1111 CD GLU A 82 13.203 -5.318 5.830 1.00 0.00 C ATOM 1112 OE1 GLU A 82 12.958 -6.535 5.972 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.047 -4.881 5.020 1.00 0.00 O ATOM 0 H GLU A 82 9.176 -4.292 7.576 1.00 0.00 H new ATOM 0 HA GLU A 82 11.147 -2.290 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.445 -4.818 6.105 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.243 -3.681 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.039 -3.425 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.281 -4.749 7.674 1.00 0.00 H new ATOM 1120 N ALA A 83 8.889 -2.227 5.053 1.00 0.00 N ATOM 1121 CA ALA A 83 8.268 -1.378 4.052 1.00 0.00 C ATOM 1122 C ALA A 83 7.649 -0.171 4.732 1.00 0.00 C ATOM 1123 O ALA A 83 7.637 0.933 4.187 1.00 0.00 O ATOM 1124 CB ALA A 83 7.229 -2.156 3.265 1.00 0.00 C ATOM 0 H ALA A 83 8.486 -3.161 5.125 1.00 0.00 H new ATOM 0 HA ALA A 83 9.025 -1.034 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.774 -1.504 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.707 -2.999 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.459 -2.524 3.943 1.00 0.00 H new ATOM 1130 N MET A 84 7.156 -0.392 5.944 1.00 0.00 N ATOM 1131 CA MET A 84 6.555 0.669 6.730 1.00 0.00 C ATOM 1132 C MET A 84 7.609 1.702 7.106 1.00 0.00 C ATOM 1133 O MET A 84 7.306 2.880 7.285 1.00 0.00 O ATOM 1134 CB MET A 84 5.914 0.098 7.989 1.00 0.00 C ATOM 1135 CG MET A 84 4.409 0.005 7.887 1.00 0.00 C ATOM 1136 SD MET A 84 3.709 -1.217 9.002 1.00 0.00 S ATOM 1137 CE MET A 84 3.073 -2.384 7.809 1.00 0.00 C ATOM 0 H MET A 84 7.163 -1.303 6.403 1.00 0.00 H new ATOM 0 HA MET A 84 5.782 1.151 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.323 -0.894 8.182 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.178 0.723 8.842 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.974 0.980 8.105 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.134 -0.245 6.862 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.827 -3.320 8.311 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.176 -1.976 7.343 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.827 -2.570 7.044 1.00 0.00 H new ATOM 1147 N GLU A 85 8.854 1.245 7.215 1.00 0.00 N ATOM 1148 CA GLU A 85 9.960 2.124 7.560 1.00 0.00 C ATOM 1149 C GLU A 85 10.421 2.878 6.321 1.00 0.00 C ATOM 1150 O GLU A 85 10.743 4.063 6.387 1.00 0.00 O ATOM 1151 CB GLU A 85 11.106 1.321 8.208 1.00 0.00 C ATOM 1152 CG GLU A 85 12.117 0.724 7.236 1.00 0.00 C ATOM 1153 CD GLU A 85 13.551 0.971 7.666 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.907 2.146 7.895 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.316 -0.009 7.774 1.00 0.00 O ATOM 0 H GLU A 85 9.119 0.271 7.069 1.00 0.00 H new ATOM 0 HA GLU A 85 9.628 2.857 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.636 1.973 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.673 0.513 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.946 -0.349 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.959 1.150 6.245 1.00 0.00 H new ATOM 1162 N THR A 86 10.417 2.187 5.185 1.00 0.00 N ATOM 1163 CA THR A 86 10.801 2.793 3.923 1.00 0.00 C ATOM 1164 C THR A 86 9.785 3.867 3.564 1.00 0.00 C ATOM 1165 O THR A 86 10.138 4.941 3.079 1.00 0.00 O ATOM 1166 CB THR A 86 10.879 1.727 2.821 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.131 1.065 2.856 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.694 2.280 1.422 1.00 0.00 C ATOM 0 H THR A 86 10.151 1.205 5.117 1.00 0.00 H new ATOM 0 HA THR A 86 11.787 3.247 4.017 1.00 0.00 H new ATOM 0 HB THR A 86 10.057 1.042 3.030 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.842 1.697 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.762 1.468 0.698 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.716 2.754 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.471 3.016 1.216 1.00 0.00 H new ATOM 1176 N LEU A 87 8.521 3.573 3.847 1.00 0.00 N ATOM 1177 CA LEU A 87 7.447 4.517 3.596 1.00 0.00 C ATOM 1178 C LEU A 87 7.593 5.673 4.568 1.00 0.00 C ATOM 1179 O LEU A 87 7.711 6.829 4.167 1.00 0.00 O ATOM 1180 CB LEU A 87 6.083 3.848 3.767 1.00 0.00 C ATOM 1181 CG LEU A 87 5.739 2.796 2.709 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.506 2.007 3.121 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.526 3.457 1.356 1.00 0.00 C ATOM 0 H LEU A 87 8.218 2.687 4.251 1.00 0.00 H new ATOM 0 HA LEU A 87 7.509 4.879 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.047 3.378 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.313 4.619 3.754 1.00 0.00 H new ATOM 0 HG LEU A 87 6.575 2.102 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.277 1.264 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.696 1.505 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.660 2.686 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.282 2.697 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.706 4.172 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.437 3.977 1.057 1.00 0.00 H new ATOM 1195 N ARG A 88 7.635 5.337 5.855 1.00 0.00 N ATOM 1196 CA ARG A 88 7.821 6.337 6.897 1.00 0.00 C ATOM 1197 C ARG A 88 9.065 7.156 6.587 1.00 0.00 C ATOM 1198 O ARG A 88 9.141 8.347 6.896 1.00 0.00 O ATOM 1199 CB ARG A 88 7.958 5.666 8.265 1.00 0.00 C ATOM 1200 CG ARG A 88 6.644 5.141 8.819 1.00 0.00 C ATOM 1201 CD ARG A 88 6.871 4.190 9.983 1.00 0.00 C ATOM 1202 NE ARG A 88 5.643 3.939 10.734 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.067 4.836 11.531 1.00 0.00 C ATOM 1204 NH1 ARG A 88 5.604 6.039 11.686 1.00 0.00 N ATOM 1205 NH2 ARG A 88 3.948 4.527 12.175 1.00 0.00 N ATOM 0 H ARG A 88 7.543 4.381 6.198 1.00 0.00 H new ATOM 0 HA ARG A 88 6.951 6.992 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.665 4.840 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.380 6.381 8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.026 5.977 9.146 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.094 4.628 8.030 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.266 3.246 9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.625 4.608 10.650 1.00 0.00 H new ATOM 0 HE ARG A 88 5.202 3.024 10.642 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.463 6.281 11.193 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.157 6.722 12.298 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.531 3.603 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.505 5.213 12.786 1.00 0.00 H new ATOM 1219 N ARG A 89 10.033 6.502 5.949 1.00 0.00 N ATOM 1220 CA ARG A 89 11.274 7.154 5.564 1.00 0.00 C ATOM 1221 C ARG A 89 11.014 8.143 4.440 1.00 0.00 C ATOM 1222 O ARG A 89 11.470 9.285 4.483 1.00 0.00 O ATOM 1223 CB ARG A 89 12.302 6.117 5.115 1.00 0.00 C ATOM 1224 CG ARG A 89 13.373 5.835 6.153 1.00 0.00 C ATOM 1225 CD ARG A 89 12.776 5.479 7.507 1.00 0.00 C ATOM 1226 NE ARG A 89 13.440 6.185 8.600 1.00 0.00 N ATOM 1227 CZ ARG A 89 13.365 5.811 9.876 1.00 0.00 C ATOM 1228 NH1 ARG A 89 12.656 4.744 10.223 1.00 0.00 N ATOM 1229 NH2 ARG A 89 13.999 6.510 10.808 1.00 0.00 N ATOM 0 H ARG A 89 9.977 5.517 5.689 1.00 0.00 H new ATOM 0 HA ARG A 89 11.669 7.689 6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.787 5.187 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.779 6.463 4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 89 14.005 5.016 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.015 6.710 6.259 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.714 5.723 7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.857 4.404 7.668 1.00 0.00 H new ATOM 0 HE ARG A 89 13.993 7.012 8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.164 4.205 9.510 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.603 4.463 11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.543 7.332 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.943 6.225 11.786 1.00 0.00 H new ATOM 1243 N SER A 90 10.266 7.696 3.438 1.00 0.00 N ATOM 1244 CA SER A 90 9.936 8.543 2.306 1.00 0.00 C ATOM 1245 C SER A 90 9.141 9.751 2.776 1.00 0.00 C ATOM 1246 O SER A 90 9.387 10.879 2.348 1.00 0.00 O ATOM 1247 CB SER A 90 9.141 7.759 1.259 1.00 0.00 C ATOM 1248 OG SER A 90 9.983 6.882 0.532 1.00 0.00 O ATOM 0 H SER A 90 9.879 6.754 3.389 1.00 0.00 H new ATOM 0 HA SER A 90 10.863 8.886 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.352 7.188 1.749 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.654 8.452 0.573 1.00 0.00 H new ATOM 0 HG SER A 90 10.226 6.119 1.097 1.00 0.00 H new ATOM 1254 N MET A 91 8.200 9.509 3.681 1.00 0.00 N ATOM 1255 CA MET A 91 7.384 10.578 4.234 1.00 0.00 C ATOM 1256 C MET A 91 8.231 11.466 5.139 1.00 0.00 C ATOM 1257 O MET A 91 7.889 12.622 5.388 1.00 0.00 O ATOM 1258 CB MET A 91 6.206 10.010 5.034 1.00 0.00 C ATOM 1259 CG MET A 91 5.410 8.940 4.304 1.00 0.00 C ATOM 1260 SD MET A 91 4.973 9.408 2.620 1.00 0.00 S ATOM 1261 CE MET A 91 4.376 7.842 1.990 1.00 0.00 C ATOM 0 H MET A 91 7.985 8.581 4.046 1.00 0.00 H new ATOM 0 HA MET A 91 6.992 11.168 3.406 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.584 9.592 5.967 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.535 10.827 5.300 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.990 8.018 4.279 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.499 8.728 4.864 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.825 8.008 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.221 7.182 1.796 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.717 7.381 2.726 1.00 0.00 H new ATOM 1271 N SER A 92 9.334 10.912 5.643 1.00 0.00 N ATOM 1272 CA SER A 92 10.220 11.648 6.532 1.00 0.00 C ATOM 1273 C SER A 92 11.222 12.503 5.764 1.00 0.00 C ATOM 1274 O SER A 92 11.322 13.708 5.996 1.00 0.00 O ATOM 1275 CB SER A 92 10.965 10.680 7.453 1.00 0.00 C ATOM 1276 OG SER A 92 10.208 10.397 8.617 1.00 0.00 O ATOM 0 H SER A 92 9.631 9.956 5.448 1.00 0.00 H new ATOM 0 HA SER A 92 9.599 12.318 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.175 9.754 6.918 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.926 11.110 7.736 1.00 0.00 H new ATOM 0 HG SER A 92 9.599 9.650 8.438 1.00 0.00 H new ATOM 1282 N THR A 93 11.976 11.876 4.865 1.00 0.00 N ATOM 1283 CA THR A 93 12.990 12.593 4.090 1.00 0.00 C ATOM 1284 C THR A 93 13.768 11.658 3.161 1.00 0.00 C ATOM 1285 O THR A 93 14.918 11.320 3.436 1.00 0.00 O ATOM 1286 CB THR A 93 13.969 13.260 5.045 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.974 13.962 4.333 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.651 12.258 5.948 1.00 0.00 C ATOM 0 H THR A 93 11.907 10.880 4.655 1.00 0.00 H new ATOM 0 HA THR A 93 12.477 13.333 3.475 1.00 0.00 H new ATOM 0 HB THR A 93 13.381 13.950 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.590 14.384 4.968 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.341 12.778 6.613 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.902 11.733 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.203 11.539 5.342 1.00 0.00 H new ATOM 1296 N GLU A 94 13.148 11.262 2.060 1.00 0.00 N ATOM 1297 CA GLU A 94 13.793 10.380 1.088 1.00 0.00 C ATOM 1298 C GLU A 94 12.977 10.341 -0.189 1.00 0.00 C ATOM 1299 O GLU A 94 13.514 10.384 -1.296 1.00 0.00 O ATOM 1300 CB GLU A 94 13.936 8.962 1.650 1.00 0.00 C ATOM 1301 CG GLU A 94 15.023 8.827 2.699 1.00 0.00 C ATOM 1302 CD GLU A 94 15.605 7.429 2.760 1.00 0.00 C ATOM 1303 OE1 GLU A 94 16.086 6.938 1.717 1.00 0.00 O ATOM 1304 OE2 GLU A 94 15.580 6.822 3.853 1.00 0.00 O ATOM 0 H GLU A 94 12.197 11.536 1.813 1.00 0.00 H new ATOM 0 HA GLU A 94 14.788 10.771 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.984 8.656 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.148 8.276 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.820 9.539 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.615 9.089 3.675 1.00 0.00 H new ATOM 1311 N GLY A 95 11.669 10.287 -0.012 1.00 0.00 N ATOM 1312 CA GLY A 95 10.759 10.277 -1.130 1.00 0.00 C ATOM 1313 C GLY A 95 10.207 11.660 -1.362 1.00 0.00 C ATOM 1314 O GLY A 95 9.863 12.030 -2.484 1.00 0.00 O ATOM 0 H GLY A 95 11.217 10.249 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.274 9.928 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.944 9.579 -0.939 1.00 0.00 H new ATOM 1318 N ASN A 96 10.148 12.433 -0.282 1.00 0.00 N ATOM 1319 CA ASN A 96 9.665 13.794 -0.345 1.00 0.00 C ATOM 1320 C ASN A 96 10.823 14.737 -0.630 1.00 0.00 C ATOM 1321 O ASN A 96 11.054 15.112 -1.775 1.00 0.00 O ATOM 1322 CB ASN A 96 8.974 14.187 0.960 1.00 0.00 C ATOM 1323 CG ASN A 96 8.491 15.622 0.932 1.00 0.00 C ATOM 1324 OD1 ASN A 96 7.441 15.924 0.370 1.00 0.00 O ATOM 1325 ND2 ASN A 96 9.268 16.521 1.520 1.00 0.00 N ATOM 0 H ASN A 96 10.432 12.131 0.650 1.00 0.00 H new ATOM 0 HA ASN A 96 8.935 13.867 -1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.128 13.523 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.665 14.053 1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.002 17.506 1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.132 16.228 1.976 1.00 0.00 H new ATOM 1332 N LYS A 97 11.557 15.109 0.420 1.00 0.00 N ATOM 1333 CA LYS A 97 12.706 16.000 0.288 1.00 0.00 C ATOM 1334 C LYS A 97 12.438 17.116 -0.726 1.00 0.00 C ATOM 1335 O LYS A 97 13.356 17.603 -1.386 1.00 0.00 O ATOM 1336 CB LYS A 97 13.942 15.190 -0.112 1.00 0.00 C ATOM 1337 CG LYS A 97 13.849 14.582 -1.496 1.00 0.00 C ATOM 1338 CD LYS A 97 13.362 13.142 -1.443 1.00 0.00 C ATOM 1339 CE LYS A 97 12.705 12.728 -2.749 1.00 0.00 C ATOM 1340 NZ LYS A 97 13.658 12.789 -3.893 1.00 0.00 N ATOM 0 H LYS A 97 11.373 14.804 1.376 1.00 0.00 H new ATOM 0 HA LYS A 97 12.885 16.475 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.819 15.836 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.095 14.393 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.170 15.174 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.827 14.619 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.202 12.480 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.651 13.027 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.316 11.714 -2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.854 13.379 -2.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.197 12.419 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.945 13.776 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.498 12.215 -3.676 1.00 0.00 H new ATOM 1354 N ARG A 98 11.169 17.513 -0.845 1.00 0.00 N ATOM 1355 CA ARG A 98 10.776 18.561 -1.775 1.00 0.00 C ATOM 1356 C ARG A 98 9.307 18.959 -1.597 1.00 0.00 C ATOM 1357 O ARG A 98 8.936 20.109 -1.831 1.00 0.00 O ATOM 1358 CB ARG A 98 11.034 18.099 -3.209 1.00 0.00 C ATOM 1359 CG ARG A 98 9.992 17.129 -3.752 1.00 0.00 C ATOM 1360 CD ARG A 98 10.626 15.839 -4.247 1.00 0.00 C ATOM 1361 NE ARG A 98 10.720 15.794 -5.704 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.966 14.684 -6.397 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.141 13.528 -5.770 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.037 14.732 -7.719 1.00 0.00 N ATOM 0 H ARG A 98 10.398 17.120 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 98 11.378 19.445 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.073 18.973 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.014 17.624 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.266 16.901 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.445 17.602 -4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.622 15.738 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.040 14.990 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 98 10.590 16.664 -6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.087 13.487 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.329 12.681 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.903 15.619 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.225 13.882 -8.251 1.00 0.00 H new ATOM 1378 N GLY A 99 8.475 18.002 -1.190 1.00 0.00 N ATOM 1379 CA GLY A 99 7.063 18.273 -1.001 1.00 0.00 C ATOM 1380 C GLY A 99 6.186 17.315 -1.784 1.00 0.00 C ATOM 1381 O GLY A 99 5.011 17.594 -2.030 1.00 0.00 O ATOM 0 H GLY A 99 8.757 17.043 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.820 18.202 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.847 19.296 -1.310 1.00 0.00 H new ATOM 1385 N MET A 100 6.760 16.181 -2.181 1.00 0.00 N ATOM 1386 CA MET A 100 6.033 15.176 -2.943 1.00 0.00 C ATOM 1387 C MET A 100 6.830 13.877 -3.049 1.00 0.00 C ATOM 1388 O MET A 100 8.058 13.888 -3.006 1.00 0.00 O ATOM 1389 CB MET A 100 5.704 15.714 -4.336 1.00 0.00 C ATOM 1390 CG MET A 100 6.848 15.593 -5.332 1.00 0.00 C ATOM 1391 SD MET A 100 6.420 16.233 -6.963 1.00 0.00 S ATOM 1392 CE MET A 100 4.752 15.606 -7.145 1.00 0.00 C ATOM 0 H MET A 100 7.731 15.937 -1.985 1.00 0.00 H new ATOM 0 HA MET A 100 5.105 14.955 -2.417 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.838 15.179 -4.726 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.419 16.763 -4.251 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.715 16.132 -4.951 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.138 14.546 -5.421 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.472 15.616 -8.198 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.704 14.585 -6.767 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.063 16.235 -6.581 1.00 0.00 H new ATOM 1402 N ILE A 101 6.120 12.760 -3.186 1.00 0.00 N ATOM 1403 CA ILE A 101 6.765 11.455 -3.289 1.00 0.00 C ATOM 1404 C ILE A 101 5.986 10.521 -4.212 1.00 0.00 C ATOM 1405 O ILE A 101 4.756 10.539 -4.235 1.00 0.00 O ATOM 1406 CB ILE A 101 6.933 10.804 -1.888 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.286 9.416 -1.821 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.354 11.705 -0.807 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.399 8.770 -0.459 1.00 0.00 C ATOM 0 H ILE A 101 5.101 12.733 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 101 7.754 11.615 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 101 8.002 10.680 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.233 9.500 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.753 8.768 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.481 11.232 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.873 12.663 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.293 11.865 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.921 7.791 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.451 8.655 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.907 9.398 0.284 1.00 0.00 H new ATOM 1421 N GLN A 102 6.712 9.697 -4.963 1.00 0.00 N ATOM 1422 CA GLN A 102 6.090 8.749 -5.878 1.00 0.00 C ATOM 1423 C GLN A 102 5.901 7.401 -5.192 1.00 0.00 C ATOM 1424 O GLN A 102 6.755 6.962 -4.423 1.00 0.00 O ATOM 1425 CB GLN A 102 6.945 8.580 -7.134 1.00 0.00 C ATOM 1426 CG GLN A 102 6.164 8.088 -8.341 1.00 0.00 C ATOM 1427 CD GLN A 102 6.789 8.513 -9.655 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.131 9.115 -10.504 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.069 8.202 -9.830 1.00 0.00 N ATOM 0 H GLN A 102 7.732 9.668 -4.955 1.00 0.00 H new ATOM 0 HA GLN A 102 5.114 9.139 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.410 9.535 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.751 7.878 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.100 7.000 -8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.144 8.469 -8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.577 7.702 -9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.544 8.463 -10.694 1.00 0.00 H new ATOM 1438 N LEU A 103 4.775 6.752 -5.463 1.00 0.00 N ATOM 1439 CA LEU A 103 4.485 5.460 -4.855 1.00 0.00 C ATOM 1440 C LEU A 103 3.831 4.506 -5.848 1.00 0.00 C ATOM 1441 O LEU A 103 2.788 4.813 -6.427 1.00 0.00 O ATOM 1442 CB LEU A 103 3.573 5.643 -3.640 1.00 0.00 C ATOM 1443 CG LEU A 103 4.297 5.949 -2.327 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.532 6.995 -1.526 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.480 4.680 -1.511 1.00 0.00 C ATOM 0 H LEU A 103 4.053 7.096 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 103 5.433 5.023 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.873 6.452 -3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.982 4.737 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 103 5.282 6.351 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.062 7.200 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.453 7.913 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.533 6.621 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.997 4.917 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.505 4.249 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.070 3.963 -2.081 1.00 0.00 H new ATOM 1457 N ILE A 104 4.445 3.341 -6.028 1.00 0.00 N ATOM 1458 CA ILE A 104 3.919 2.330 -6.932 1.00 0.00 C ATOM 1459 C ILE A 104 3.089 1.314 -6.162 1.00 0.00 C ATOM 1460 O ILE A 104 3.422 0.956 -5.033 1.00 0.00 O ATOM 1461 CB ILE A 104 5.042 1.597 -7.692 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.876 2.594 -8.490 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.462 0.532 -8.613 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.058 3.475 -9.408 1.00 0.00 C ATOM 0 H ILE A 104 5.310 3.075 -5.557 1.00 0.00 H new ATOM 0 HA ILE A 104 3.293 2.845 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 104 5.687 1.104 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.433 3.225 -7.797 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.609 2.048 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.271 0.027 -9.140 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.904 -0.195 -8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.795 1.001 -9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.719 4.157 -9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.522 2.854 -10.125 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.343 4.049 -8.819 1.00 0.00 H new ATOM 1476 N VAL A 105 2.006 0.861 -6.775 1.00 0.00 N ATOM 1477 CA VAL A 105 1.123 -0.105 -6.135 1.00 0.00 C ATOM 1478 C VAL A 105 0.645 -1.173 -7.110 1.00 0.00 C ATOM 1479 O VAL A 105 0.938 -1.121 -8.305 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.108 0.583 -5.516 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.308 1.509 -4.385 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.886 1.342 -6.580 1.00 0.00 C ATOM 0 H VAL A 105 1.717 1.145 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 105 1.711 -0.579 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.760 -0.185 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.576 1.985 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.816 0.933 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.983 2.274 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.752 1.822 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.245 2.101 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.220 0.648 -7.351 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.102 -2.137 -6.582 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.644 -3.224 -7.385 1.00 0.00 C ATOM 1494 C ALA A 106 -2.109 -3.459 -7.038 1.00 0.00 C ATOM 1495 O ALA A 106 -2.472 -3.546 -5.863 1.00 0.00 O ATOM 1496 CB ALA A 106 0.167 -4.494 -7.172 1.00 0.00 C ATOM 0 H ALA A 106 -0.347 -2.186 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.580 -2.947 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.250 -5.298 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.202 -4.318 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.130 -4.777 -6.120 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.948 -3.547 -8.062 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.376 -3.758 -7.861 1.00 0.00 C ATOM 1504 C ARG A 107 -4.838 -5.062 -8.504 1.00 0.00 C ATOM 1505 O ARG A 107 -4.585 -5.309 -9.683 1.00 0.00 O ATOM 1506 CB ARG A 107 -5.165 -2.582 -8.438 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.923 -1.789 -7.388 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.369 -1.567 -7.795 1.00 0.00 C ATOM 1509 NE ARG A 107 -8.108 -0.806 -6.789 1.00 0.00 N ATOM 1510 CZ ARG A 107 -9.408 -0.536 -6.873 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -10.117 -0.960 -7.911 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -10.002 0.162 -5.914 1.00 0.00 N ATOM 0 H ARG A 107 -2.665 -3.476 -9.039 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.560 -3.826 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.479 -1.915 -8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.871 -2.957 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.889 -2.319 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.435 -0.826 -7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.401 -1.037 -8.747 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.854 -2.531 -7.950 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.597 -0.462 -5.976 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.666 -1.497 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.113 -0.749 -7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.462 0.491 -5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.999 0.370 -5.977 1.00 0.00 H new