USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 781 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 104 GLN : amide:sc= 0 X(o=-2.6,f=-2.9) USER MOD Set 1.2: A 105 LYS NZ :NH3+ -140:sc= -2.57! (180deg=-6.04!) USER MOD Set 2.1: A 37 TYR OH : rot 38:sc= 0.00285 USER MOD Set 2.2: A 41 ASN :FLIP amide:sc= -0.287 F(o=-1.2,f=-0.28) USER MOD Set 3.1: A 33 TYR OH : rot 30:sc= -0.224 USER MOD Set 3.2: A 82 LYS NZ :NH3+ 177:sc=-0.00517 (180deg=-0.0225) USER MOD Set 3.3: A 113 ASN :FLIP amide:sc= 0.611 F(o=-0.25,f=0.38) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 161:sc= -0.28 (180deg=-0.999) USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 5.1: A 8 THR OG1 : rot 105:sc= 0.862 USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 5 SER OG : rot 31:sc= 0.00261 USER MOD Single : A 11 TYR OH : rot 100:sc= -1.13 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 30 GLN : amide:sc= -2.73! C(o=-2.7!,f=-4.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.14) USER MOD Single : A 48 HIS : no HD1:sc= -7.54! C(o=-7.5!,f=-11!) USER MOD Single : A 60 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.411 K(o=0.41,f=-2!) USER MOD Single : A 84 MET CE :methyl 133:sc= -4.87! (180deg=-9.33!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.768 F(o=-1.4,f=-0.77) USER MOD Single : A 91 TYR OH : rot 163:sc= 1.12 USER MOD Single : A 93 GLN : amide:sc= -0.886 K(o=-0.89,f=-1.9!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -4:sc= 0.696 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0333 K(o=-0.033,f=-0.88) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 9.005 -5.132 16.880 1.00 0.00 N ATOM 60 CA SER A 5 8.221 -5.703 15.785 1.00 0.00 C ATOM 61 C SER A 5 7.506 -4.621 14.977 1.00 0.00 C ATOM 62 O SER A 5 6.481 -4.092 15.408 1.00 0.00 O ATOM 63 CB SER A 5 7.193 -6.693 16.337 1.00 0.00 C ATOM 64 OG SER A 5 7.826 -7.848 16.862 1.00 0.00 O ATOM 0 HA SER A 5 8.913 -6.220 15.120 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.603 -6.212 17.117 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.501 -6.982 15.546 1.00 0.00 H new ATOM 0 HG SER A 5 8.710 -7.607 17.210 1.00 0.00 H new ATOM 70 N ARG A 6 8.037 -4.320 13.788 1.00 0.00 N ATOM 71 CA ARG A 6 7.425 -3.328 12.901 1.00 0.00 C ATOM 72 C ARG A 6 6.206 -3.955 12.216 1.00 0.00 C ATOM 73 O ARG A 6 5.641 -4.910 12.750 1.00 0.00 O ATOM 74 CB ARG A 6 8.455 -2.801 11.887 1.00 0.00 C ATOM 75 CG ARG A 6 8.694 -3.701 10.689 1.00 0.00 C ATOM 76 CD ARG A 6 9.536 -4.916 11.048 1.00 0.00 C ATOM 77 NE ARG A 6 8.720 -6.109 11.273 1.00 0.00 N ATOM 78 CZ ARG A 6 9.137 -7.356 11.036 1.00 0.00 C ATOM 79 NH1 ARG A 6 10.375 -7.586 10.603 1.00 0.00 N ATOM 80 NH2 ARG A 6 8.315 -8.379 11.237 1.00 0.00 N ATOM 0 H ARG A 6 8.886 -4.748 13.419 1.00 0.00 H new ATOM 0 HA ARG A 6 7.088 -2.468 13.480 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.124 -1.826 11.530 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.403 -2.647 12.402 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.736 -4.030 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.193 -3.134 9.903 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.248 -5.111 10.246 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.117 -4.701 11.945 1.00 0.00 H new ATOM 0 HE ARG A 6 7.774 -5.981 11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 6 11.015 -6.806 10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.684 -8.542 10.425 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.366 -8.213 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.632 -9.331 11.056 1.00 0.00 H new ATOM 94 N ILE A 7 5.772 -3.437 11.061 1.00 0.00 N ATOM 95 CA ILE A 7 4.598 -4.013 10.407 1.00 0.00 C ATOM 96 C ILE A 7 4.626 -3.972 8.873 1.00 0.00 C ATOM 97 O ILE A 7 5.425 -3.269 8.266 1.00 0.00 O ATOM 98 CB ILE A 7 3.299 -3.337 10.886 1.00 0.00 C ATOM 99 CG1 ILE A 7 3.168 -1.911 10.347 1.00 0.00 C ATOM 100 CG2 ILE A 7 3.196 -3.348 12.404 1.00 0.00 C ATOM 101 CD1 ILE A 7 1.865 -1.680 9.608 1.00 0.00 C ATOM 0 H ILE A 7 6.200 -2.648 10.576 1.00 0.00 H new ATOM 0 HA ILE A 7 4.625 -5.062 10.702 1.00 0.00 H new ATOM 0 HB ILE A 7 2.471 -3.921 10.484 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.241 -1.206 11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.002 -1.703 9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.268 -2.864 12.709 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.203 -4.378 12.762 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.043 -2.811 12.830 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.828 -0.652 9.249 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.801 -2.363 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.028 -1.859 10.282 1.00 0.00 H new ATOM 113 N THR A 8 3.696 -4.731 8.271 1.00 0.00 N ATOM 114 CA THR A 8 3.532 -4.805 6.813 1.00 0.00 C ATOM 115 C THR A 8 2.373 -3.892 6.401 1.00 0.00 C ATOM 116 O THR A 8 1.428 -3.725 7.175 1.00 0.00 O ATOM 117 CB THR A 8 3.254 -6.262 6.394 1.00 0.00 C ATOM 118 OG1 THR A 8 4.457 -7.012 6.376 1.00 0.00 O ATOM 119 CG2 THR A 8 2.611 -6.411 5.029 1.00 0.00 C ATOM 0 H THR A 8 3.035 -5.312 8.786 1.00 0.00 H new ATOM 0 HA THR A 8 4.443 -4.475 6.314 1.00 0.00 H new ATOM 0 HB THR A 8 2.550 -6.632 7.140 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.489 -7.598 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.451 -7.468 4.815 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.654 -5.890 5.019 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.265 -5.982 4.270 1.00 0.00 H new ATOM 127 N ALA A 9 2.434 -3.278 5.209 1.00 0.00 N ATOM 128 CA ALA A 9 1.357 -2.378 4.801 1.00 0.00 C ATOM 129 C ALA A 9 0.513 -2.931 3.671 1.00 0.00 C ATOM 130 O ALA A 9 0.989 -3.140 2.560 1.00 0.00 O ATOM 131 CB ALA A 9 1.898 -1.015 4.412 1.00 0.00 C ATOM 0 H ALA A 9 3.192 -3.385 4.535 1.00 0.00 H new ATOM 0 HA ALA A 9 0.710 -2.279 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.073 -0.368 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.416 -0.573 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.594 -1.124 3.580 1.00 0.00 H new ATOM 137 N LEU A 10 -0.760 -3.126 3.974 1.00 0.00 N ATOM 138 CA LEU A 10 -1.728 -3.611 3.009 1.00 0.00 C ATOM 139 C LEU A 10 -2.739 -2.504 2.745 1.00 0.00 C ATOM 140 O LEU A 10 -3.615 -2.255 3.569 1.00 0.00 O ATOM 141 CB LEU A 10 -2.420 -4.850 3.576 1.00 0.00 C ATOM 142 CG LEU A 10 -3.045 -5.793 2.559 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.726 -7.235 2.921 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.542 -5.575 2.513 1.00 0.00 C ATOM 0 H LEU A 10 -1.151 -2.951 4.900 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.240 -3.883 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.692 -5.411 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.199 -4.523 4.264 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.630 -5.585 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.178 -7.903 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.645 -7.378 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.126 -7.459 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.986 -6.252 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.969 -5.771 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.751 -4.545 2.226 1.00 0.00 H new ATOM 156 N TYR A 11 -2.603 -1.821 1.609 1.00 0.00 N ATOM 157 CA TYR A 11 -3.505 -0.720 1.277 1.00 0.00 C ATOM 158 C TYR A 11 -4.382 -1.080 0.074 1.00 0.00 C ATOM 159 O TYR A 11 -3.895 -1.651 -0.904 1.00 0.00 O ATOM 160 CB TYR A 11 -2.691 0.567 1.067 1.00 0.00 C ATOM 161 CG TYR A 11 -3.148 1.443 -0.069 1.00 0.00 C ATOM 162 CD1 TYR A 11 -4.246 2.279 0.068 1.00 0.00 C ATOM 163 CD2 TYR A 11 -2.467 1.447 -1.271 1.00 0.00 C ATOM 164 CE1 TYR A 11 -4.652 3.095 -0.968 1.00 0.00 C ATOM 165 CE2 TYR A 11 -2.864 2.254 -2.309 1.00 0.00 C ATOM 166 CZ TYR A 11 -3.957 3.079 -2.155 1.00 0.00 C ATOM 167 OH TYR A 11 -4.355 3.892 -3.190 1.00 0.00 O ATOM 0 H TYR A 11 -1.884 -2.008 0.910 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.190 -0.540 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.721 1.150 1.988 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.650 0.294 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.792 2.292 1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.608 0.805 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.509 3.741 -0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.321 2.242 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.787 4.690 -3.216 1.00 0.00 H new ATOM 177 N GLU A 12 -5.693 -0.802 0.181 1.00 0.00 N ATOM 178 CA GLU A 12 -6.638 -1.168 -0.883 1.00 0.00 C ATOM 179 C GLU A 12 -7.795 -0.179 -1.067 1.00 0.00 C ATOM 180 O GLU A 12 -8.207 0.492 -0.127 1.00 0.00 O ATOM 181 CB GLU A 12 -7.221 -2.540 -0.561 1.00 0.00 C ATOM 182 CG GLU A 12 -7.926 -2.605 0.790 1.00 0.00 C ATOM 183 CD GLU A 12 -7.070 -3.228 1.880 1.00 0.00 C ATOM 184 OE1 GLU A 12 -6.088 -2.590 2.306 1.00 0.00 O ATOM 185 OE2 GLU A 12 -7.387 -4.353 2.314 1.00 0.00 O ATOM 0 H GLU A 12 -6.116 -0.332 0.982 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.073 -1.162 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.928 -2.817 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.420 -3.279 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.212 -1.598 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.846 -3.180 0.686 1.00 0.00 H new ATOM 192 N ARG A 13 -8.335 -0.144 -2.297 1.00 0.00 N ATOM 193 CA ARG A 13 -9.476 0.711 -2.647 1.00 0.00 C ATOM 194 C ARG A 13 -10.314 0.038 -3.745 1.00 0.00 C ATOM 195 O ARG A 13 -9.778 -0.375 -4.774 1.00 0.00 O ATOM 196 CB ARG A 13 -9.006 2.109 -3.089 1.00 0.00 C ATOM 197 CG ARG A 13 -10.034 2.883 -3.903 1.00 0.00 C ATOM 198 CD ARG A 13 -9.779 2.752 -5.397 1.00 0.00 C ATOM 199 NE ARG A 13 -8.911 3.818 -5.903 1.00 0.00 N ATOM 200 CZ ARG A 13 -7.717 3.619 -6.474 1.00 0.00 C ATOM 201 NH1 ARG A 13 -7.218 2.390 -6.607 1.00 0.00 N ATOM 202 NH2 ARG A 13 -7.017 4.660 -6.911 1.00 0.00 N ATOM 0 H ARG A 13 -7.991 -0.708 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.099 0.841 -1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.747 2.690 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.095 2.005 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.034 2.516 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.006 3.935 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.322 1.784 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.729 2.775 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.240 4.779 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.748 1.585 -6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.307 2.254 -7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.390 5.604 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.106 4.515 -7.347 1.00 0.00 H new ATOM 397 N ILE A 27 -14.987 -4.236 -0.158 1.00 0.00 N ATOM 398 CA ILE A 27 -13.866 -3.869 0.700 1.00 0.00 C ATOM 399 C ILE A 27 -13.168 -5.114 1.259 1.00 0.00 C ATOM 400 O ILE A 27 -12.007 -5.375 0.944 1.00 0.00 O ATOM 401 CB ILE A 27 -14.324 -2.949 1.857 1.00 0.00 C ATOM 402 CG1 ILE A 27 -14.469 -1.498 1.368 1.00 0.00 C ATOM 403 CG2 ILE A 27 -13.361 -3.030 3.033 1.00 0.00 C ATOM 404 CD1 ILE A 27 -13.217 -0.916 0.733 1.00 0.00 C ATOM 0 HA ILE A 27 -13.152 -3.319 0.086 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.299 -3.295 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -15.283 -1.452 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.757 -0.871 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -13.706 -2.374 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.319 -4.056 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.367 -2.718 2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.412 0.109 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.403 -0.925 1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.937 -1.515 -0.134 1.00 0.00 H new ATOM 416 N THR A 28 -13.882 -5.884 2.075 1.00 0.00 N ATOM 417 CA THR A 28 -13.327 -7.102 2.668 1.00 0.00 C ATOM 418 C THR A 28 -12.816 -8.080 1.595 1.00 0.00 C ATOM 419 O THR A 28 -11.911 -8.874 1.861 1.00 0.00 O ATOM 420 CB THR A 28 -14.374 -7.768 3.570 1.00 0.00 C ATOM 421 OG1 THR A 28 -13.843 -7.998 4.863 1.00 0.00 O ATOM 422 CG2 THR A 28 -14.885 -9.093 3.049 1.00 0.00 C ATOM 0 H THR A 28 -14.847 -5.688 2.342 1.00 0.00 H new ATOM 0 HA THR A 28 -12.466 -6.822 3.275 1.00 0.00 H new ATOM 0 HB THR A 28 -15.209 -7.067 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.524 -8.422 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.621 -9.498 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.349 -8.946 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.054 -9.791 2.953 1.00 0.00 H new ATOM 430 N ASN A 29 -13.396 -8.024 0.386 1.00 0.00 N ATOM 431 CA ASN A 29 -12.984 -8.918 -0.698 1.00 0.00 C ATOM 432 C ASN A 29 -11.553 -8.634 -1.160 1.00 0.00 C ATOM 433 O ASN A 29 -10.699 -9.526 -1.089 1.00 0.00 O ATOM 434 CB ASN A 29 -13.945 -8.838 -1.887 1.00 0.00 C ATOM 435 CG ASN A 29 -14.441 -10.206 -2.313 1.00 0.00 C ATOM 436 OD1 ASN A 29 -13.670 -11.160 -2.390 1.00 0.00 O ATOM 437 ND2 ASN A 29 -15.737 -10.309 -2.588 1.00 0.00 N ATOM 0 H ASN A 29 -14.143 -7.375 0.140 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.015 -9.930 -0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.796 -8.210 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.443 -8.357 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.127 -11.206 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.341 -9.491 -2.511 1.00 0.00 H new ATOM 444 N GLN A 30 -11.269 -7.403 -1.622 1.00 0.00 N ATOM 445 CA GLN A 30 -9.902 -7.097 -2.060 1.00 0.00 C ATOM 446 C GLN A 30 -8.939 -7.306 -0.898 1.00 0.00 C ATOM 447 O GLN A 30 -7.803 -7.734 -1.107 1.00 0.00 O ATOM 448 CB GLN A 30 -9.697 -5.682 -2.645 1.00 0.00 C ATOM 449 CG GLN A 30 -10.942 -4.844 -2.879 1.00 0.00 C ATOM 450 CD GLN A 30 -10.912 -3.576 -2.062 1.00 0.00 C ATOM 451 OE1 GLN A 30 -10.605 -2.502 -2.568 1.00 0.00 O ATOM 452 NE2 GLN A 30 -11.217 -3.704 -0.784 1.00 0.00 N ATOM 0 H GLN A 30 -11.937 -6.636 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.701 -7.784 -2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.039 -5.130 -1.974 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.172 -5.781 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.022 -4.595 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.827 -5.425 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.466 -4.619 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.203 -2.888 -0.172 1.00 0.00 H new ATOM 461 N LYS A 31 -9.397 -7.028 0.338 1.00 0.00 N ATOM 462 CA LYS A 31 -8.554 -7.231 1.513 1.00 0.00 C ATOM 463 C LYS A 31 -8.010 -8.655 1.476 1.00 0.00 C ATOM 464 O LYS A 31 -6.803 -8.879 1.577 1.00 0.00 O ATOM 465 CB LYS A 31 -9.335 -7.004 2.814 1.00 0.00 C ATOM 466 CG LYS A 31 -10.066 -5.675 2.882 1.00 0.00 C ATOM 467 CD LYS A 31 -9.868 -5.011 4.232 1.00 0.00 C ATOM 468 CE LYS A 31 -11.168 -4.906 5.010 1.00 0.00 C ATOM 469 NZ LYS A 31 -11.458 -3.505 5.423 1.00 0.00 N ATOM 0 H LYS A 31 -10.330 -6.669 0.539 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.739 -6.508 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.059 -7.810 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.644 -7.068 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.704 -5.016 2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.130 -5.832 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.143 -5.580 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.450 -4.015 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.988 -5.281 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.114 -5.541 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.468 -3.413 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.887 -3.264 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.222 -2.858 4.644 1.00 0.00 H new ATOM 483 N LYS A 32 -8.928 -9.607 1.284 1.00 0.00 N ATOM 484 CA LYS A 32 -8.585 -11.023 1.181 1.00 0.00 C ATOM 485 C LYS A 32 -7.561 -11.248 0.068 1.00 0.00 C ATOM 486 O LYS A 32 -6.650 -12.060 0.215 1.00 0.00 O ATOM 487 CB LYS A 32 -9.843 -11.856 0.905 1.00 0.00 C ATOM 488 CG LYS A 32 -10.095 -12.947 1.932 1.00 0.00 C ATOM 489 CD LYS A 32 -11.457 -13.596 1.738 1.00 0.00 C ATOM 490 CE LYS A 32 -12.233 -13.667 3.043 1.00 0.00 C ATOM 491 NZ LYS A 32 -13.333 -14.670 2.987 1.00 0.00 N ATOM 0 H LYS A 32 -9.926 -9.416 1.196 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.149 -11.339 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.707 -11.192 0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.756 -12.312 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.316 -13.706 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.032 -12.525 2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.030 -13.029 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.328 -14.601 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.552 -13.921 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.649 -12.686 3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.836 -14.685 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.997 -14.415 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.935 -15.612 2.796 1.00 0.00 H new ATOM 505 N TYR A 33 -7.716 -10.515 -1.044 1.00 0.00 N ATOM 506 CA TYR A 33 -6.796 -10.628 -2.181 1.00 0.00 C ATOM 507 C TYR A 33 -5.349 -10.404 -1.736 1.00 0.00 C ATOM 508 O TYR A 33 -4.520 -11.324 -1.772 1.00 0.00 O ATOM 509 CB TYR A 33 -7.152 -9.607 -3.270 1.00 0.00 C ATOM 510 CG TYR A 33 -6.356 -9.793 -4.541 1.00 0.00 C ATOM 511 CD1 TYR A 33 -6.641 -10.830 -5.418 1.00 0.00 C ATOM 512 CD2 TYR A 33 -5.299 -8.946 -4.850 1.00 0.00 C ATOM 513 CE1 TYR A 33 -5.900 -11.012 -6.570 1.00 0.00 C ATOM 514 CE2 TYR A 33 -4.555 -9.122 -5.990 1.00 0.00 C ATOM 515 CZ TYR A 33 -4.857 -10.156 -6.852 1.00 0.00 C ATOM 516 OH TYR A 33 -4.113 -10.334 -7.996 1.00 0.00 O ATOM 0 H TYR A 33 -8.468 -9.840 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.894 -11.636 -2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.215 -9.685 -3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.982 -8.601 -2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.454 -11.505 -5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.058 -8.134 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.137 -11.821 -7.246 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.736 -8.453 -6.211 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.675 -10.734 -8.693 1.00 0.00 H new ATOM 526 N LEU A 34 -5.055 -9.177 -1.297 1.00 0.00 N ATOM 527 CA LEU A 34 -3.720 -8.835 -0.827 1.00 0.00 C ATOM 528 C LEU A 34 -3.296 -9.814 0.257 1.00 0.00 C ATOM 529 O LEU A 34 -2.144 -10.241 0.298 1.00 0.00 O ATOM 530 CB LEU A 34 -3.695 -7.413 -0.267 1.00 0.00 C ATOM 531 CG LEU A 34 -3.683 -6.278 -1.296 1.00 0.00 C ATOM 532 CD1 LEU A 34 -4.135 -6.759 -2.662 1.00 0.00 C ATOM 533 CD2 LEU A 34 -4.567 -5.149 -0.820 1.00 0.00 C ATOM 0 H LEU A 34 -5.725 -8.409 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.029 -8.893 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.566 -7.283 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.814 -7.310 0.366 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.658 -5.921 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.114 -5.927 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.466 -7.546 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.150 -7.150 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.556 -4.344 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.587 -5.513 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.197 -4.775 0.134 1.00 0.00 H new ATOM 545 N GLU A 35 -4.245 -10.183 1.127 1.00 0.00 N ATOM 546 CA GLU A 35 -3.960 -11.131 2.189 1.00 0.00 C ATOM 547 C GLU A 35 -3.418 -12.420 1.592 1.00 0.00 C ATOM 548 O GLU A 35 -2.378 -12.920 2.020 1.00 0.00 O ATOM 549 CB GLU A 35 -5.199 -11.413 3.041 1.00 0.00 C ATOM 550 CG GLU A 35 -4.952 -11.219 4.529 1.00 0.00 C ATOM 551 CD GLU A 35 -5.300 -12.443 5.355 1.00 0.00 C ATOM 552 OE1 GLU A 35 -4.433 -13.331 5.491 1.00 0.00 O ATOM 553 OE2 GLU A 35 -6.435 -12.510 5.871 1.00 0.00 O ATOM 0 H GLU A 35 -5.205 -9.838 1.110 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.208 -10.692 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.009 -10.756 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.530 -12.436 2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.903 -10.968 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.540 -10.371 4.881 1.00 0.00 H new ATOM 560 N ASP A 36 -4.115 -12.923 0.569 1.00 0.00 N ATOM 561 CA ASP A 36 -3.706 -14.130 -0.137 1.00 0.00 C ATOM 562 C ASP A 36 -2.263 -14.001 -0.618 1.00 0.00 C ATOM 563 O ASP A 36 -1.529 -14.989 -0.681 1.00 0.00 O ATOM 564 CB ASP A 36 -4.643 -14.380 -1.320 1.00 0.00 C ATOM 565 CG ASP A 36 -5.014 -15.842 -1.477 1.00 0.00 C ATOM 566 OD1 ASP A 36 -4.097 -16.688 -1.544 1.00 0.00 O ATOM 567 OD2 ASP A 36 -6.224 -16.139 -1.532 1.00 0.00 O ATOM 0 H ASP A 36 -4.974 -12.504 0.212 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.765 -14.978 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.551 -13.791 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.166 -14.031 -2.236 1.00 0.00 H new ATOM 572 N TYR A 37 -1.856 -12.768 -0.932 1.00 0.00 N ATOM 573 CA TYR A 37 -0.494 -12.503 -1.377 1.00 0.00 C ATOM 574 C TYR A 37 0.461 -12.533 -0.190 1.00 0.00 C ATOM 575 O TYR A 37 1.357 -13.370 -0.128 1.00 0.00 O ATOM 576 CB TYR A 37 -0.394 -11.142 -2.080 1.00 0.00 C ATOM 577 CG TYR A 37 1.030 -10.640 -2.217 1.00 0.00 C ATOM 578 CD1 TYR A 37 1.642 -9.956 -1.177 1.00 0.00 C ATOM 579 CD2 TYR A 37 1.764 -10.867 -3.370 1.00 0.00 C ATOM 580 CE1 TYR A 37 2.946 -9.513 -1.282 1.00 0.00 C ATOM 581 CE2 TYR A 37 3.070 -10.429 -3.484 1.00 0.00 C ATOM 582 CZ TYR A 37 3.657 -9.755 -2.436 1.00 0.00 C ATOM 583 OH TYR A 37 4.957 -9.317 -2.543 1.00 0.00 O ATOM 0 H TYR A 37 -2.452 -11.942 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.218 -13.281 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.841 -11.219 -3.071 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.978 -10.409 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.089 -9.766 -0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.308 -11.395 -4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.406 -8.980 -0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.627 -10.614 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 37 5.409 -9.421 -1.680 1.00 0.00 H new ATOM 593 N ALA A 38 0.268 -11.595 0.740 1.00 0.00 N ATOM 594 CA ALA A 38 1.112 -11.490 1.922 1.00 0.00 C ATOM 595 C ALA A 38 1.364 -12.845 2.574 1.00 0.00 C ATOM 596 O ALA A 38 2.456 -13.092 3.082 1.00 0.00 O ATOM 597 CB ALA A 38 0.495 -10.539 2.926 1.00 0.00 C ATOM 0 H ALA A 38 -0.472 -10.895 0.692 1.00 0.00 H new ATOM 0 HA ALA A 38 2.076 -11.100 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.137 -10.470 3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.390 -9.552 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.487 -10.909 3.222 1.00 0.00 H new ATOM 603 N ARG A 39 0.361 -13.727 2.554 1.00 0.00 N ATOM 604 CA ARG A 39 0.520 -15.057 3.146 1.00 0.00 C ATOM 605 C ARG A 39 1.326 -15.956 2.219 1.00 0.00 C ATOM 606 O ARG A 39 2.279 -16.604 2.652 1.00 0.00 O ATOM 607 CB ARG A 39 -0.831 -15.691 3.472 1.00 0.00 C ATOM 608 CG ARG A 39 -1.776 -15.777 2.292 1.00 0.00 C ATOM 609 CD ARG A 39 -3.218 -15.610 2.751 1.00 0.00 C ATOM 610 NE ARG A 39 -4.131 -16.536 2.076 1.00 0.00 N ATOM 611 CZ ARG A 39 -4.107 -17.864 2.223 1.00 0.00 C ATOM 612 NH1 ARG A 39 -3.221 -18.443 3.029 1.00 0.00 N ATOM 613 NH2 ARG A 39 -4.981 -18.616 1.563 1.00 0.00 N ATOM 0 H ARG A 39 -0.555 -13.549 2.142 1.00 0.00 H new ATOM 0 HA ARG A 39 1.064 -14.943 4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.664 -16.694 3.864 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.309 -15.115 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.528 -15.005 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.656 -16.738 1.792 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.274 -15.769 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.540 -14.586 2.563 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.833 -16.140 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.550 -17.872 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.213 -19.458 3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.667 -18.179 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.966 -19.630 1.672 1.00 0.00 H new ATOM 627 N ARG A 40 0.961 -15.963 0.933 1.00 0.00 N ATOM 628 CA ARG A 40 1.679 -16.755 -0.063 1.00 0.00 C ATOM 629 C ARG A 40 3.139 -16.291 -0.163 1.00 0.00 C ATOM 630 O ARG A 40 4.003 -17.027 -0.644 1.00 0.00 O ATOM 631 CB ARG A 40 0.982 -16.643 -1.426 1.00 0.00 C ATOM 632 CG ARG A 40 1.414 -15.451 -2.257 1.00 0.00 C ATOM 633 CD ARG A 40 0.926 -15.574 -3.688 1.00 0.00 C ATOM 634 NE ARG A 40 1.722 -16.523 -4.468 1.00 0.00 N ATOM 635 CZ ARG A 40 1.749 -16.554 -5.803 1.00 0.00 C ATOM 636 NH1 ARG A 40 1.036 -15.685 -6.514 1.00 0.00 N ATOM 637 NH2 ARG A 40 2.493 -17.459 -6.430 1.00 0.00 N ATOM 0 H ARG A 40 0.175 -15.430 0.561 1.00 0.00 H new ATOM 0 HA ARG A 40 1.673 -17.800 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.173 -17.554 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.095 -16.587 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.023 -14.535 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.501 -15.372 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.117 -15.892 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.960 -14.595 -4.166 1.00 0.00 H new ATOM 0 HE ARG A 40 2.290 -17.202 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.462 -14.987 -6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.063 -15.716 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.043 -18.129 -5.892 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.515 -17.484 -7.449 1.00 0.00 H new ATOM 651 N ASN A 41 3.394 -15.059 0.295 1.00 0.00 N ATOM 652 CA ASN A 41 4.728 -14.469 0.268 1.00 0.00 C ATOM 653 C ASN A 41 5.446 -14.639 1.612 1.00 0.00 C ATOM 654 O ASN A 41 6.643 -14.929 1.649 1.00 0.00 O ATOM 655 CB ASN A 41 4.621 -12.986 -0.103 1.00 0.00 C ATOM 656 CG ASN A 41 4.957 -12.726 -1.559 1.00 0.00 C ATOM 657 OD1 ASN A 41 4.048 -13.095 -2.454 1.00 0.00 O flip ATOM 658 ND2 ASN A 41 6.020 -12.194 -1.876 1.00 0.00 N flip ATOM 0 H ASN A 41 2.680 -14.449 0.693 1.00 0.00 H new ATOM 0 HA ASN A 41 5.322 -14.990 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.609 -12.636 0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.293 -12.407 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.691 -11.926 -1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.230 -12.021 -2.859 1.00 0.00 H new ATOM 665 N GLY A 42 4.704 -14.473 2.709 1.00 0.00 N ATOM 666 CA GLY A 42 5.282 -14.629 4.040 1.00 0.00 C ATOM 667 C GLY A 42 5.549 -13.311 4.757 1.00 0.00 C ATOM 668 O GLY A 42 6.655 -13.090 5.248 1.00 0.00 O ATOM 0 H GLY A 42 3.713 -14.233 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.609 -15.232 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.218 -15.182 3.956 1.00 0.00 H new ATOM 672 N PHE A 43 4.544 -12.433 4.817 1.00 0.00 N ATOM 673 CA PHE A 43 4.695 -11.133 5.480 1.00 0.00 C ATOM 674 C PHE A 43 3.902 -11.071 6.789 1.00 0.00 C ATOM 675 O PHE A 43 2.793 -11.597 6.879 1.00 0.00 O ATOM 676 CB PHE A 43 4.247 -10.016 4.539 1.00 0.00 C ATOM 677 CG PHE A 43 5.073 -9.922 3.289 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.382 -9.468 3.322 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.532 -10.290 2.080 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.127 -9.388 2.161 1.00 0.00 C ATOM 681 CE2 PHE A 43 5.263 -10.213 0.921 1.00 0.00 C ATOM 682 CZ PHE A 43 6.564 -9.763 0.957 1.00 0.00 C ATOM 0 H PHE A 43 3.620 -12.597 4.417 1.00 0.00 H new ATOM 0 HA PHE A 43 5.749 -11.001 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.204 -10.178 4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.293 -9.064 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.823 -9.174 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.513 -10.646 2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.147 -9.033 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.818 -10.505 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.142 -9.704 0.047 1.00 0.00 H new ATOM 692 N GLU A 44 4.496 -10.443 7.808 1.00 0.00 N ATOM 693 CA GLU A 44 3.877 -10.326 9.122 1.00 0.00 C ATOM 694 C GLU A 44 3.256 -8.968 9.370 1.00 0.00 C ATOM 695 O GLU A 44 3.475 -8.016 8.626 1.00 0.00 O ATOM 696 CB GLU A 44 4.922 -10.553 10.196 1.00 0.00 C ATOM 697 CG GLU A 44 5.249 -12.001 10.438 1.00 0.00 C ATOM 698 CD GLU A 44 5.357 -12.825 9.166 1.00 0.00 C ATOM 699 OE1 GLU A 44 6.407 -12.747 8.496 1.00 0.00 O ATOM 700 OE2 GLU A 44 4.392 -13.549 8.844 1.00 0.00 O ATOM 0 H GLU A 44 5.415 -10.005 7.741 1.00 0.00 H new ATOM 0 HA GLU A 44 3.086 -11.075 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.835 -10.027 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.572 -10.110 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.191 -12.065 10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.481 -12.436 11.077 1.00 0.00 H new ATOM 707 N ASN A 45 2.505 -8.897 10.469 1.00 0.00 N ATOM 708 CA ASN A 45 1.857 -7.669 10.899 1.00 0.00 C ATOM 709 C ASN A 45 1.064 -7.014 9.767 1.00 0.00 C ATOM 710 O ASN A 45 0.919 -5.791 9.734 1.00 0.00 O ATOM 711 CB ASN A 45 2.910 -6.695 11.409 1.00 0.00 C ATOM 712 CG ASN A 45 3.682 -7.216 12.606 1.00 0.00 C ATOM 713 OD1 ASN A 45 3.141 -7.351 13.702 1.00 0.00 O ATOM 714 ND2 ASN A 45 4.960 -7.510 12.394 1.00 0.00 N ATOM 0 H ASN A 45 2.332 -9.693 11.083 1.00 0.00 H new ATOM 0 HA ASN A 45 1.155 -7.922 11.694 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.610 -6.473 10.603 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.426 -5.756 11.679 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.535 -7.864 13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.366 -7.382 11.467 1.00 0.00 H new ATOM 721 N ILE A 46 0.569 -7.828 8.839 1.00 0.00 N ATOM 722 CA ILE A 46 -0.192 -7.338 7.707 1.00 0.00 C ATOM 723 C ILE A 46 -1.359 -6.475 8.144 1.00 0.00 C ATOM 724 O ILE A 46 -2.439 -6.971 8.475 1.00 0.00 O ATOM 725 CB ILE A 46 -0.728 -8.489 6.852 1.00 0.00 C ATOM 726 CG1 ILE A 46 0.418 -9.368 6.358 1.00 0.00 C ATOM 727 CG2 ILE A 46 -1.528 -7.937 5.685 1.00 0.00 C ATOM 728 CD1 ILE A 46 -0.013 -10.782 6.011 1.00 0.00 C ATOM 0 H ILE A 46 0.687 -8.841 8.855 1.00 0.00 H new ATOM 0 HA ILE A 46 0.497 -6.735 7.116 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.386 -9.107 7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.867 -8.907 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.191 -9.410 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.906 -8.762 5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.365 -7.350 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.887 -7.303 5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.850 -11.351 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.435 -11.261 6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.764 -10.750 5.222 1.00 0.00 H new ATOM 740 N ARG A 47 -1.130 -5.179 8.113 1.00 0.00 N ATOM 741 CA ARG A 47 -2.158 -4.218 8.472 1.00 0.00 C ATOM 742 C ARG A 47 -2.972 -3.840 7.251 1.00 0.00 C ATOM 743 O ARG A 47 -2.423 -3.474 6.212 1.00 0.00 O ATOM 744 CB ARG A 47 -1.567 -2.980 9.127 1.00 0.00 C ATOM 745 CG ARG A 47 -2.389 -2.522 10.313 1.00 0.00 C ATOM 746 CD ARG A 47 -2.919 -1.118 10.119 1.00 0.00 C ATOM 747 NE ARG A 47 -4.154 -0.897 10.872 1.00 0.00 N ATOM 748 CZ ARG A 47 -4.198 -0.589 12.171 1.00 0.00 C ATOM 749 NH1 ARG A 47 -3.078 -0.424 12.869 1.00 0.00 N ATOM 750 NH2 ARG A 47 -5.373 -0.443 12.773 1.00 0.00 N ATOM 0 H ARG A 47 -0.239 -4.763 7.842 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.815 -4.690 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.548 -3.192 9.452 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.507 -2.175 8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.223 -3.208 10.464 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.778 -2.559 11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.165 -0.397 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.102 -0.941 9.059 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.039 -0.984 10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.172 -0.533 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.125 -0.189 13.860 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.236 -0.566 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.412 -0.208 13.765 1.00 0.00 H new ATOM 764 N HIS A 48 -4.286 -3.955 7.381 1.00 0.00 N ATOM 765 CA HIS A 48 -5.187 -3.653 6.276 1.00 0.00 C ATOM 766 C HIS A 48 -5.696 -2.216 6.339 1.00 0.00 C ATOM 767 O HIS A 48 -6.470 -1.859 7.229 1.00 0.00 O ATOM 768 CB HIS A 48 -6.366 -4.642 6.255 1.00 0.00 C ATOM 769 CG HIS A 48 -6.012 -5.997 5.741 1.00 0.00 C ATOM 770 ND1 HIS A 48 -6.558 -6.528 4.596 1.00 0.00 N ATOM 771 CD2 HIS A 48 -5.181 -6.937 6.234 1.00 0.00 C ATOM 772 CE1 HIS A 48 -6.081 -7.743 4.406 1.00 0.00 C ATOM 773 NE2 HIS A 48 -5.237 -8.017 5.386 1.00 0.00 N ATOM 0 H HIS A 48 -4.752 -4.254 8.238 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.620 -3.761 5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.763 -4.740 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.164 -4.228 5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.582 -6.856 7.129 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.336 -8.402 3.589 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.714 -8.886 5.495 1.00 0.00 H new ATOM 782 N PHE A 49 -5.270 -1.405 5.368 1.00 0.00 N ATOM 783 CA PHE A 49 -5.692 -0.013 5.281 1.00 0.00 C ATOM 784 C PHE A 49 -6.804 0.096 4.244 1.00 0.00 C ATOM 785 O PHE A 49 -6.568 0.104 3.034 1.00 0.00 O ATOM 786 CB PHE A 49 -4.499 0.901 4.951 1.00 0.00 C ATOM 787 CG PHE A 49 -3.336 0.735 5.896 1.00 0.00 C ATOM 788 CD1 PHE A 49 -3.286 1.467 7.068 1.00 0.00 C ATOM 789 CD2 PHE A 49 -2.300 -0.155 5.622 1.00 0.00 C ATOM 790 CE1 PHE A 49 -2.234 1.326 7.949 1.00 0.00 C ATOM 791 CE2 PHE A 49 -1.245 -0.300 6.506 1.00 0.00 C ATOM 792 CZ PHE A 49 -1.213 0.442 7.669 1.00 0.00 C ATOM 0 H PHE A 49 -4.629 -1.695 4.629 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.079 0.321 6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.164 0.695 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.830 1.939 4.973 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.082 2.159 7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.320 -0.737 4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.210 1.908 8.858 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.447 -0.994 6.286 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.390 0.331 8.359 1.00 0.00 H new ATOM 802 N THR A 50 -8.023 0.105 4.765 1.00 0.00 N ATOM 803 CA THR A 50 -9.247 0.126 3.970 1.00 0.00 C ATOM 804 C THR A 50 -9.551 1.473 3.321 1.00 0.00 C ATOM 805 O THR A 50 -9.129 2.529 3.791 1.00 0.00 O ATOM 806 CB THR A 50 -10.399 -0.308 4.872 1.00 0.00 C ATOM 807 OG1 THR A 50 -11.566 -0.604 4.120 1.00 0.00 O ATOM 808 CG2 THR A 50 -10.761 0.721 5.927 1.00 0.00 C ATOM 0 H THR A 50 -8.194 0.098 5.771 1.00 0.00 H new ATOM 0 HA THR A 50 -9.111 -0.561 3.135 1.00 0.00 H new ATOM 0 HB THR A 50 -10.036 -1.203 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.285 -0.880 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.587 0.347 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.898 0.906 6.566 1.00 0.00 H new ATOM 0 HG23 THR A 50 -11.059 1.650 5.442 1.00 0.00 H new ATOM 816 N ASP A 51 -10.304 1.395 2.221 1.00 0.00 N ATOM 817 CA ASP A 51 -10.707 2.565 1.453 1.00 0.00 C ATOM 818 C ASP A 51 -12.198 2.835 1.598 1.00 0.00 C ATOM 819 O ASP A 51 -13.004 1.911 1.711 1.00 0.00 O ATOM 820 CB ASP A 51 -10.351 2.367 -0.027 1.00 0.00 C ATOM 821 CG ASP A 51 -11.464 2.777 -0.981 1.00 0.00 C ATOM 822 OD1 ASP A 51 -11.556 3.979 -1.310 1.00 0.00 O ATOM 823 OD2 ASP A 51 -12.242 1.893 -1.397 1.00 0.00 O ATOM 0 H ASP A 51 -10.650 0.514 1.841 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.168 3.428 1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.455 2.944 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.107 1.318 -0.196 1.00 0.00 H new ATOM 828 N ASP A 52 -12.553 4.113 1.571 1.00 0.00 N ATOM 829 CA ASP A 52 -13.940 4.525 1.675 1.00 0.00 C ATOM 830 C ASP A 52 -14.097 5.946 1.153 1.00 0.00 C ATOM 831 O ASP A 52 -13.645 6.899 1.789 1.00 0.00 O ATOM 832 CB ASP A 52 -14.415 4.429 3.126 1.00 0.00 C ATOM 833 CG ASP A 52 -15.863 4.847 3.298 1.00 0.00 C ATOM 834 OD1 ASP A 52 -16.118 6.060 3.451 1.00 0.00 O ATOM 835 OD2 ASP A 52 -16.741 3.961 3.281 1.00 0.00 O ATOM 0 H ASP A 52 -11.892 4.884 1.477 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.555 3.859 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.293 3.404 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.783 5.058 3.753 1.00 0.00 H new ATOM 840 N GLY A 53 -14.731 6.077 -0.011 1.00 0.00 N ATOM 841 CA GLY A 53 -14.932 7.389 -0.614 1.00 0.00 C ATOM 842 C GLY A 53 -13.645 8.196 -0.698 1.00 0.00 C ATOM 843 O GLY A 53 -13.512 9.226 -0.036 1.00 0.00 O ATOM 0 H GLY A 53 -15.110 5.298 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.345 7.266 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.667 7.944 -0.032 1.00 0.00 H new ATOM 847 N PHE A 54 -12.695 7.723 -1.508 1.00 0.00 N ATOM 848 CA PHE A 54 -11.412 8.400 -1.670 1.00 0.00 C ATOM 849 C PHE A 54 -11.460 9.412 -2.808 1.00 0.00 C ATOM 850 O PHE A 54 -11.920 9.105 -3.909 1.00 0.00 O ATOM 851 CB PHE A 54 -10.293 7.386 -1.952 1.00 0.00 C ATOM 852 CG PHE A 54 -9.766 6.671 -0.736 1.00 0.00 C ATOM 853 CD1 PHE A 54 -10.039 7.133 0.545 1.00 0.00 C ATOM 854 CD2 PHE A 54 -9.000 5.521 -0.876 1.00 0.00 C ATOM 855 CE1 PHE A 54 -9.562 6.466 1.650 1.00 0.00 C ATOM 856 CE2 PHE A 54 -8.519 4.857 0.234 1.00 0.00 C ATOM 857 CZ PHE A 54 -8.802 5.330 1.499 1.00 0.00 C ATOM 0 H PHE A 54 -12.793 6.872 -2.062 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.205 8.924 -0.737 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.664 6.644 -2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.466 7.904 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.632 8.026 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.779 5.143 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -9.785 6.836 2.640 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.920 3.966 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 54 -8.428 4.809 2.368 1.00 0.00 H new ATOM 935 N ASN A 60 -3.130 11.017 0.869 1.00 0.00 N ATOM 936 CA ASN A 60 -3.893 11.693 1.926 1.00 0.00 C ATOM 937 C ASN A 60 -5.327 11.170 1.987 1.00 0.00 C ATOM 938 O ASN A 60 -6.227 11.672 1.311 1.00 0.00 O ATOM 939 CB ASN A 60 -3.870 13.211 1.714 1.00 0.00 C ATOM 940 CG ASN A 60 -2.468 13.734 1.446 1.00 0.00 C ATOM 941 OD1 ASN A 60 -2.265 14.568 0.564 1.00 0.00 O ATOM 942 ND2 ASN A 60 -1.492 13.244 2.208 1.00 0.00 N ATOM 0 HA ASN A 60 -3.420 11.474 2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.518 13.469 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.278 13.705 2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.532 13.559 2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.705 12.554 2.928 1.00 0.00 H new ATOM 949 N ARG A 61 -5.512 10.140 2.804 1.00 0.00 N ATOM 950 CA ARG A 61 -6.807 9.489 2.989 1.00 0.00 C ATOM 951 C ARG A 61 -6.917 8.978 4.422 1.00 0.00 C ATOM 952 O ARG A 61 -5.918 8.886 5.121 1.00 0.00 O ATOM 953 CB ARG A 61 -6.957 8.312 2.008 1.00 0.00 C ATOM 954 CG ARG A 61 -5.898 8.262 0.906 1.00 0.00 C ATOM 955 CD ARG A 61 -6.346 9.005 -0.338 1.00 0.00 C ATOM 956 NE ARG A 61 -6.451 8.122 -1.500 1.00 0.00 N ATOM 957 CZ ARG A 61 -6.080 8.464 -2.737 1.00 0.00 C ATOM 958 NH1 ARG A 61 -5.613 9.684 -2.993 1.00 0.00 N ATOM 959 NH2 ARG A 61 -6.183 7.582 -3.724 1.00 0.00 N ATOM 0 H ARG A 61 -4.763 9.729 3.362 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.599 10.212 2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.920 7.380 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.942 8.366 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.969 8.697 1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.685 7.223 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.312 9.474 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.640 9.806 -0.555 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.831 7.187 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.535 10.369 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.333 9.934 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.544 6.647 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.901 7.840 -4.670 1.00 0.00 H new ATOM 973 N PRO A 62 -8.123 8.623 4.879 1.00 0.00 N ATOM 974 CA PRO A 62 -8.332 8.094 6.237 1.00 0.00 C ATOM 975 C PRO A 62 -7.433 6.874 6.494 1.00 0.00 C ATOM 976 O PRO A 62 -6.417 6.967 7.202 1.00 0.00 O ATOM 977 CB PRO A 62 -9.819 7.699 6.238 1.00 0.00 C ATOM 978 CG PRO A 62 -10.197 7.637 4.795 1.00 0.00 C ATOM 979 CD PRO A 62 -9.370 8.682 4.118 1.00 0.00 C ATOM 0 HA PRO A 62 -8.083 8.811 7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.973 6.738 6.729 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.423 8.431 6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -9.997 6.649 4.380 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.261 7.831 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.215 8.459 3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.834 9.667 4.171 1.00 0.00 H new ATOM 987 N GLY A 63 -7.787 5.742 5.875 1.00 0.00 N ATOM 988 CA GLY A 63 -6.988 4.539 6.009 1.00 0.00 C ATOM 989 C GLY A 63 -5.557 4.774 5.552 1.00 0.00 C ATOM 990 O GLY A 63 -4.618 4.194 6.095 1.00 0.00 O ATOM 0 H GLY A 63 -8.613 5.643 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.991 4.211 7.049 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.433 3.737 5.421 1.00 0.00 H new ATOM 994 N PHE A 64 -5.403 5.650 4.552 1.00 0.00 N ATOM 995 CA PHE A 64 -4.096 6.002 4.011 1.00 0.00 C ATOM 996 C PHE A 64 -3.249 6.689 5.071 1.00 0.00 C ATOM 997 O PHE A 64 -2.084 6.349 5.260 1.00 0.00 O ATOM 998 CB PHE A 64 -4.273 6.935 2.820 1.00 0.00 C ATOM 999 CG PHE A 64 -2.999 7.269 2.112 1.00 0.00 C ATOM 1000 CD1 PHE A 64 -2.025 8.028 2.732 1.00 0.00 C ATOM 1001 CD2 PHE A 64 -2.778 6.820 0.829 1.00 0.00 C ATOM 1002 CE1 PHE A 64 -0.850 8.331 2.084 1.00 0.00 C ATOM 1003 CE2 PHE A 64 -1.609 7.119 0.172 1.00 0.00 C ATOM 1004 CZ PHE A 64 -0.640 7.876 0.800 1.00 0.00 C ATOM 0 H PHE A 64 -6.181 6.130 4.100 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.591 5.090 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.961 6.475 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.739 7.859 3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.188 8.388 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.532 6.226 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.095 8.923 2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.448 6.762 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.280 8.111 0.286 1.00 0.00 H new ATOM 1014 N GLN A 65 -3.853 7.654 5.763 1.00 0.00 N ATOM 1015 CA GLN A 65 -3.168 8.387 6.817 1.00 0.00 C ATOM 1016 C GLN A 65 -2.665 7.411 7.871 1.00 0.00 C ATOM 1017 O GLN A 65 -1.633 7.642 8.499 1.00 0.00 O ATOM 1018 CB GLN A 65 -4.089 9.445 7.427 1.00 0.00 C ATOM 1019 CG GLN A 65 -4.140 10.736 6.617 1.00 0.00 C ATOM 1020 CD GLN A 65 -4.638 11.920 7.428 1.00 0.00 C ATOM 1021 OE1 GLN A 65 -5.395 11.759 8.385 1.00 0.00 O ATOM 1022 NE2 GLN A 65 -4.217 13.119 7.048 1.00 0.00 N ATOM 0 H GLN A 65 -4.819 7.944 5.609 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.311 8.910 6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.096 9.036 7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.752 9.671 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.145 10.958 6.232 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.791 10.593 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.590 13.210 6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.521 13.950 7.555 1.00 0.00 H new ATOM 1031 N SER A 66 -3.370 6.282 8.010 1.00 0.00 N ATOM 1032 CA SER A 66 -2.949 5.235 8.929 1.00 0.00 C ATOM 1033 C SER A 66 -1.706 4.574 8.340 1.00 0.00 C ATOM 1034 O SER A 66 -0.687 4.416 9.014 1.00 0.00 O ATOM 1035 CB SER A 66 -4.064 4.206 9.117 1.00 0.00 C ATOM 1036 OG SER A 66 -3.719 3.243 10.095 1.00 0.00 O ATOM 0 H SER A 66 -4.228 6.077 7.498 1.00 0.00 H new ATOM 0 HA SER A 66 -2.726 5.658 9.908 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.983 4.713 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.265 3.708 8.169 1.00 0.00 H new ATOM 0 HG SER A 66 -4.452 2.600 10.194 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.803 4.234 7.049 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.705 3.638 6.301 1.00 0.00 C ATOM 1044 C LEU A 67 0.546 4.532 6.398 1.00 0.00 C ATOM 1045 O LEU A 67 1.643 4.060 6.724 1.00 0.00 O ATOM 1046 CB LEU A 67 -1.159 3.443 4.839 1.00 0.00 C ATOM 1047 CG LEU A 67 -0.201 3.925 3.757 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.990 2.997 3.692 1.00 0.00 C ATOM 1049 CD2 LEU A 67 -0.913 3.973 2.418 1.00 0.00 C ATOM 0 H LEU A 67 -2.651 4.368 6.498 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.439 2.667 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.347 2.381 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.110 3.958 4.706 1.00 0.00 H new ATOM 0 HG LEU A 67 0.146 4.930 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.677 3.340 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.501 2.993 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.652 1.988 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.221 4.319 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.272 2.976 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.758 4.658 2.480 1.00 0.00 H new ATOM 1061 N ILE A 68 0.364 5.831 6.137 1.00 0.00 N ATOM 1062 CA ILE A 68 1.457 6.799 6.209 1.00 0.00 C ATOM 1063 C ILE A 68 1.969 6.937 7.647 1.00 0.00 C ATOM 1064 O ILE A 68 3.173 7.056 7.863 1.00 0.00 O ATOM 1065 CB ILE A 68 1.024 8.183 5.643 1.00 0.00 C ATOM 1066 CG1 ILE A 68 2.094 8.775 4.705 1.00 0.00 C ATOM 1067 CG2 ILE A 68 0.716 9.167 6.769 1.00 0.00 C ATOM 1068 CD1 ILE A 68 2.604 7.834 3.628 1.00 0.00 C ATOM 0 H ILE A 68 -0.535 6.235 5.873 1.00 0.00 H new ATOM 0 HA ILE A 68 2.272 6.425 5.590 1.00 0.00 H new ATOM 0 HB ILE A 68 0.116 8.019 5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.682 9.662 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.940 9.104 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.416 10.125 6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.093 8.774 7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.605 9.306 7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.352 8.346 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.052 6.957 4.094 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.774 7.523 2.993 1.00 0.00 H new ATOM 1080 N LYS A 69 1.050 6.898 8.626 1.00 0.00 N ATOM 1081 CA LYS A 69 1.424 6.997 10.042 1.00 0.00 C ATOM 1082 C LYS A 69 2.417 5.895 10.407 1.00 0.00 C ATOM 1083 O LYS A 69 3.335 6.097 11.203 1.00 0.00 O ATOM 1084 CB LYS A 69 0.193 6.903 10.942 1.00 0.00 C ATOM 1085 CG LYS A 69 0.485 7.271 12.386 1.00 0.00 C ATOM 1086 CD LYS A 69 0.184 6.125 13.337 1.00 0.00 C ATOM 1087 CE LYS A 69 1.443 5.353 13.694 1.00 0.00 C ATOM 1088 NZ LYS A 69 1.812 5.516 15.126 1.00 0.00 N ATOM 0 H LYS A 69 0.048 6.799 8.462 1.00 0.00 H new ATOM 0 HA LYS A 69 1.893 7.968 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.585 7.562 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.201 5.888 10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.532 7.557 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.110 8.140 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.275 6.515 14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.540 5.451 12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.293 4.295 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.267 5.694 13.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.676 4.973 15.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.981 6.522 15.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.037 5.167 15.726 1.00 0.00 H new ATOM 1102 N GLU A 70 2.237 4.734 9.791 1.00 0.00 N ATOM 1103 CA GLU A 70 3.129 3.605 10.012 1.00 0.00 C ATOM 1104 C GLU A 70 4.470 3.892 9.359 1.00 0.00 C ATOM 1105 O GLU A 70 5.520 3.583 9.921 1.00 0.00 O ATOM 1106 CB GLU A 70 2.532 2.315 9.436 1.00 0.00 C ATOM 1107 CG GLU A 70 1.237 1.885 10.106 1.00 0.00 C ATOM 1108 CD GLU A 70 1.354 1.817 11.616 1.00 0.00 C ATOM 1109 OE1 GLU A 70 2.224 1.071 12.113 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.576 2.510 12.300 1.00 0.00 O ATOM 0 H GLU A 70 1.480 4.550 9.133 1.00 0.00 H new ATOM 0 HA GLU A 70 3.263 3.467 11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.350 2.454 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.264 1.513 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.445 2.584 9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.942 0.908 9.724 1.00 0.00 H new ATOM 1117 N VAL A 71 4.424 4.501 8.171 1.00 0.00 N ATOM 1118 CA VAL A 71 5.639 4.847 7.443 1.00 0.00 C ATOM 1119 C VAL A 71 6.476 5.880 8.205 1.00 0.00 C ATOM 1120 O VAL A 71 7.692 5.726 8.333 1.00 0.00 O ATOM 1121 CB VAL A 71 5.340 5.406 6.035 1.00 0.00 C ATOM 1122 CG1 VAL A 71 6.614 5.467 5.218 1.00 0.00 C ATOM 1123 CG2 VAL A 71 4.301 4.570 5.312 1.00 0.00 C ATOM 0 H VAL A 71 3.559 4.762 7.697 1.00 0.00 H new ATOM 0 HA VAL A 71 6.199 3.917 7.344 1.00 0.00 H new ATOM 0 HB VAL A 71 4.937 6.412 6.155 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.392 5.863 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.334 6.117 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.034 4.466 5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.116 4.993 4.325 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.666 3.548 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.374 4.567 5.885 1.00 0.00 H new ATOM 1133 N GLU A 72 5.820 6.934 8.705 1.00 0.00 N ATOM 1134 CA GLU A 72 6.513 7.995 9.450 1.00 0.00 C ATOM 1135 C GLU A 72 7.187 7.434 10.697 1.00 0.00 C ATOM 1136 O GLU A 72 8.329 7.780 11.002 1.00 0.00 O ATOM 1137 CB GLU A 72 5.561 9.136 9.828 1.00 0.00 C ATOM 1138 CG GLU A 72 4.122 8.708 10.063 1.00 0.00 C ATOM 1139 CD GLU A 72 3.388 9.634 11.013 1.00 0.00 C ATOM 1140 OE1 GLU A 72 3.051 10.764 10.600 1.00 0.00 O ATOM 1141 OE2 GLU A 72 3.149 9.230 12.169 1.00 0.00 O ATOM 0 H GLU A 72 4.815 7.076 8.609 1.00 0.00 H new ATOM 0 HA GLU A 72 7.280 8.403 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.935 9.619 10.731 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.579 9.884 9.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.595 8.679 9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.109 7.695 10.466 1.00 0.00 H new ATOM 1148 N ALA A 73 6.480 6.555 11.403 1.00 0.00 N ATOM 1149 CA ALA A 73 7.013 5.925 12.607 1.00 0.00 C ATOM 1150 C ALA A 73 8.148 4.952 12.267 1.00 0.00 C ATOM 1151 O ALA A 73 9.013 4.675 13.100 1.00 0.00 O ATOM 1152 CB ALA A 73 5.898 5.192 13.333 1.00 0.00 C ATOM 0 H ALA A 73 5.533 6.262 11.161 1.00 0.00 H new ATOM 0 HA ALA A 73 7.420 6.703 13.253 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.297 4.722 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.117 5.900 13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.479 4.427 12.679 1.00 0.00 H new ATOM 1158 N GLY A 74 8.121 4.427 11.040 1.00 0.00 N ATOM 1159 CA GLY A 74 9.122 3.475 10.590 1.00 0.00 C ATOM 1160 C GLY A 74 8.729 2.045 10.941 1.00 0.00 C ATOM 1161 O GLY A 74 9.567 1.235 11.336 1.00 0.00 O ATOM 0 H GLY A 74 7.411 4.650 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.251 3.564 9.511 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.083 3.712 11.047 1.00 0.00 H new ATOM 1165 N ASN A 75 7.434 1.754 10.783 1.00 0.00 N ATOM 1166 CA ASN A 75 6.865 0.438 11.061 1.00 0.00 C ATOM 1167 C ASN A 75 6.639 -0.331 9.770 1.00 0.00 C ATOM 1168 O ASN A 75 6.977 -1.508 9.680 1.00 0.00 O ATOM 1169 CB ASN A 75 5.528 0.597 11.793 1.00 0.00 C ATOM 1170 CG ASN A 75 5.680 0.689 13.296 1.00 0.00 C ATOM 1171 OD1 ASN A 75 6.759 0.457 13.842 1.00 0.00 O ATOM 1172 ND2 ASN A 75 4.591 1.025 13.975 1.00 0.00 N ATOM 0 H ASN A 75 6.748 2.434 10.455 1.00 0.00 H new ATOM 0 HA ASN A 75 7.566 -0.116 11.685 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.026 1.494 11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.885 -0.249 11.550 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.627 1.100 14.992 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.718 1.208 13.480 1.00 0.00 H new ATOM 1179 N VAL A 76 6.052 0.332 8.776 1.00 0.00 N ATOM 1180 CA VAL A 76 5.774 -0.312 7.502 1.00 0.00 C ATOM 1181 C VAL A 76 7.056 -0.812 6.829 1.00 0.00 C ATOM 1182 O VAL A 76 7.744 -0.067 6.129 1.00 0.00 O ATOM 1183 CB VAL A 76 5.024 0.620 6.522 1.00 0.00 C ATOM 1184 CG1 VAL A 76 5.869 1.818 6.126 1.00 0.00 C ATOM 1185 CG2 VAL A 76 4.604 -0.163 5.291 1.00 0.00 C ATOM 0 H VAL A 76 5.763 1.309 8.831 1.00 0.00 H new ATOM 0 HA VAL A 76 5.132 -1.162 7.735 1.00 0.00 H new ATOM 0 HB VAL A 76 4.138 1.002 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.307 2.448 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.126 2.392 7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.782 1.474 5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.076 0.497 4.603 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.488 -0.568 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.946 -0.980 5.587 1.00 0.00 H new ATOM 1195 N GLU A 77 7.361 -2.084 7.033 1.00 0.00 N ATOM 1196 CA GLU A 77 8.545 -2.694 6.431 1.00 0.00 C ATOM 1197 C GLU A 77 8.251 -3.188 5.010 1.00 0.00 C ATOM 1198 O GLU A 77 9.157 -3.629 4.299 1.00 0.00 O ATOM 1199 CB GLU A 77 9.035 -3.857 7.291 1.00 0.00 C ATOM 1200 CG GLU A 77 8.035 -4.995 7.399 1.00 0.00 C ATOM 1201 CD GLU A 77 8.664 -6.354 7.161 1.00 0.00 C ATOM 1202 OE1 GLU A 77 9.145 -6.600 6.035 1.00 0.00 O ATOM 1203 OE2 GLU A 77 8.675 -7.173 8.101 1.00 0.00 O ATOM 0 H GLU A 77 6.808 -2.717 7.610 1.00 0.00 H new ATOM 0 HA GLU A 77 9.323 -1.933 6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.966 -4.240 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.263 -3.488 8.291 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.579 -4.979 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.234 -4.839 6.676 1.00 0.00 H new ATOM 1210 N THR A 78 6.976 -3.134 4.611 1.00 0.00 N ATOM 1211 CA THR A 78 6.552 -3.597 3.291 1.00 0.00 C ATOM 1212 C THR A 78 5.236 -2.956 2.882 1.00 0.00 C ATOM 1213 O THR A 78 4.429 -2.592 3.732 1.00 0.00 O ATOM 1214 CB THR A 78 6.366 -5.113 3.289 1.00 0.00 C ATOM 1215 OG1 THR A 78 6.985 -5.724 4.411 1.00 0.00 O ATOM 1216 CG2 THR A 78 6.905 -5.769 2.048 1.00 0.00 C ATOM 0 H THR A 78 6.218 -2.772 5.189 1.00 0.00 H new ATOM 0 HA THR A 78 7.332 -3.313 2.584 1.00 0.00 H new ATOM 0 HB THR A 78 5.287 -5.261 3.329 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.843 -6.693 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.743 -6.845 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.390 -5.371 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.973 -5.567 1.964 1.00 0.00 H new ATOM 1224 N LEU A 79 5.012 -2.847 1.578 1.00 0.00 N ATOM 1225 CA LEU A 79 3.772 -2.280 1.069 1.00 0.00 C ATOM 1226 C LEU A 79 3.180 -3.171 -0.014 1.00 0.00 C ATOM 1227 O LEU A 79 3.831 -3.471 -1.013 1.00 0.00 O ATOM 1228 CB LEU A 79 3.990 -0.884 0.496 1.00 0.00 C ATOM 1229 CG LEU A 79 2.757 0.043 0.463 1.00 0.00 C ATOM 1230 CD1 LEU A 79 1.480 -0.742 0.255 1.00 0.00 C ATOM 1231 CD2 LEU A 79 2.643 0.867 1.731 1.00 0.00 C ATOM 0 H LEU A 79 5.671 -3.143 0.857 1.00 0.00 H new ATOM 0 HA LEU A 79 3.081 -2.212 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.771 -0.394 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.368 -0.987 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 79 2.898 0.718 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.631 -0.058 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.533 -1.279 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.354 -1.455 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.763 1.507 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.550 0.202 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.534 1.484 1.845 1.00 0.00 H new ATOM 1243 N ILE A 80 1.937 -3.571 0.191 1.00 0.00 N ATOM 1244 CA ILE A 80 1.224 -4.407 -0.764 1.00 0.00 C ATOM 1245 C ILE A 80 -0.010 -3.669 -1.286 1.00 0.00 C ATOM 1246 O ILE A 80 -0.966 -3.419 -0.542 1.00 0.00 O ATOM 1247 CB ILE A 80 0.819 -5.761 -0.141 1.00 0.00 C ATOM 1248 CG1 ILE A 80 2.052 -6.645 0.054 1.00 0.00 C ATOM 1249 CG2 ILE A 80 -0.200 -6.477 -1.009 1.00 0.00 C ATOM 1250 CD1 ILE A 80 2.973 -6.176 1.156 1.00 0.00 C ATOM 0 H ILE A 80 1.394 -3.328 1.020 1.00 0.00 H new ATOM 0 HA ILE A 80 1.896 -4.616 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 80 0.364 -5.563 0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.727 -7.662 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.611 -6.684 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.468 -7.427 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.092 -5.858 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.227 -6.660 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.823 -6.854 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.329 -5.171 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.432 -6.164 2.102 1.00 0.00 H new ATOM 1262 N VAL A 81 0.037 -3.308 -2.568 1.00 0.00 N ATOM 1263 CA VAL A 81 -1.051 -2.580 -3.218 1.00 0.00 C ATOM 1264 C VAL A 81 -1.502 -3.286 -4.495 1.00 0.00 C ATOM 1265 O VAL A 81 -0.685 -3.869 -5.218 1.00 0.00 O ATOM 1266 CB VAL A 81 -0.621 -1.149 -3.605 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -1.808 -0.353 -4.126 1.00 0.00 C ATOM 1268 CG2 VAL A 81 0.030 -0.415 -2.432 1.00 0.00 C ATOM 0 H VAL A 81 0.826 -3.511 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.868 -2.543 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 81 0.122 -1.238 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.483 0.653 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.219 -0.847 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.574 -0.293 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.318 0.588 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.679 -0.348 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.915 -0.962 -2.107 1.00 0.00 H new ATOM 1278 N LYS A 82 -2.803 -3.202 -4.784 1.00 0.00 N ATOM 1279 CA LYS A 82 -3.365 -3.798 -5.985 1.00 0.00 C ATOM 1280 C LYS A 82 -2.544 -3.385 -7.209 1.00 0.00 C ATOM 1281 O LYS A 82 -2.278 -4.199 -8.087 1.00 0.00 O ATOM 1282 CB LYS A 82 -4.815 -3.349 -6.152 1.00 0.00 C ATOM 1283 CG LYS A 82 -5.780 -4.498 -6.335 1.00 0.00 C ATOM 1284 CD LYS A 82 -5.777 -4.979 -7.770 1.00 0.00 C ATOM 1285 CE LYS A 82 -5.375 -6.440 -7.871 1.00 0.00 C ATOM 1286 NZ LYS A 82 -4.954 -6.804 -9.251 1.00 0.00 N ATOM 0 H LYS A 82 -3.485 -2.723 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.335 -4.884 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.112 -2.770 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.885 -2.684 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.506 -5.318 -5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.785 -4.183 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.769 -4.844 -8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.089 -4.371 -8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.559 -6.641 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.212 -7.069 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.639 -7.795 -9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.756 -6.685 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.172 -6.187 -9.549 1.00 0.00 H new ATOM 1300 N ASP A 83 -2.137 -2.109 -7.246 1.00 0.00 N ATOM 1301 CA ASP A 83 -1.328 -1.582 -8.348 1.00 0.00 C ATOM 1302 C ASP A 83 -0.877 -0.149 -8.076 1.00 0.00 C ATOM 1303 O ASP A 83 -1.406 0.523 -7.191 1.00 0.00 O ATOM 1304 CB ASP A 83 -2.101 -1.637 -9.669 1.00 0.00 C ATOM 1305 CG ASP A 83 -3.557 -1.254 -9.510 1.00 0.00 C ATOM 1306 OD1 ASP A 83 -3.832 -0.066 -9.242 1.00 0.00 O ATOM 1307 OD2 ASP A 83 -4.420 -2.143 -9.648 1.00 0.00 O ATOM 0 H ASP A 83 -2.356 -1.423 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.443 -2.213 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.630 -0.968 -10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.037 -2.644 -10.081 1.00 0.00 H new ATOM 1312 N MET A 84 0.108 0.309 -8.851 1.00 0.00 N ATOM 1313 CA MET A 84 0.646 1.663 -8.711 1.00 0.00 C ATOM 1314 C MET A 84 -0.399 2.737 -9.043 1.00 0.00 C ATOM 1315 O MET A 84 -0.211 3.910 -8.714 1.00 0.00 O ATOM 1316 CB MET A 84 1.873 1.839 -9.608 1.00 0.00 C ATOM 1317 CG MET A 84 3.180 1.455 -8.935 1.00 0.00 C ATOM 1318 SD MET A 84 3.765 2.719 -7.791 1.00 0.00 S ATOM 1319 CE MET A 84 3.778 1.800 -6.257 1.00 0.00 C ATOM 0 H MET A 84 0.551 -0.242 -9.586 1.00 0.00 H new ATOM 0 HA MET A 84 0.932 1.791 -7.667 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.745 1.235 -10.506 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.931 2.879 -9.929 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.046 0.517 -8.397 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.939 1.280 -9.697 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.721 1.972 -5.738 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.952 2.131 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.670 0.736 -6.469 1.00 0.00 H new ATOM 1329 N SER A 85 -1.509 2.341 -9.677 1.00 0.00 N ATOM 1330 CA SER A 85 -2.563 3.294 -10.017 1.00 0.00 C ATOM 1331 C SER A 85 -3.271 3.770 -8.749 1.00 0.00 C ATOM 1332 O SER A 85 -3.824 4.869 -8.711 1.00 0.00 O ATOM 1333 CB SER A 85 -3.567 2.669 -10.988 1.00 0.00 C ATOM 1334 OG SER A 85 -4.550 3.611 -11.382 1.00 0.00 O ATOM 0 H SER A 85 -1.696 1.379 -9.960 1.00 0.00 H new ATOM 0 HA SER A 85 -2.106 4.154 -10.508 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.043 2.296 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.048 1.812 -10.517 1.00 0.00 H new ATOM 0 HG SER A 85 -5.178 3.188 -12.003 1.00 0.00 H new ATOM 1340 N ARG A 86 -3.233 2.931 -7.711 1.00 0.00 N ATOM 1341 CA ARG A 86 -3.848 3.243 -6.427 1.00 0.00 C ATOM 1342 C ARG A 86 -3.383 4.611 -5.906 1.00 0.00 C ATOM 1343 O ARG A 86 -4.189 5.533 -5.765 1.00 0.00 O ATOM 1344 CB ARG A 86 -3.490 2.150 -5.417 1.00 0.00 C ATOM 1345 CG ARG A 86 -4.634 1.210 -5.058 1.00 0.00 C ATOM 1346 CD ARG A 86 -4.910 0.192 -6.153 1.00 0.00 C ATOM 1347 NE ARG A 86 -6.218 -0.447 -5.987 1.00 0.00 N ATOM 1348 CZ ARG A 86 -6.958 -0.922 -6.993 1.00 0.00 C ATOM 1349 NH1 ARG A 86 -6.545 -0.809 -8.251 1.00 0.00 N ATOM 1350 NH2 ARG A 86 -8.124 -1.503 -6.740 1.00 0.00 N ATOM 0 H ARG A 86 -2.775 2.020 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.929 3.285 -6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.666 1.560 -5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.128 2.623 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.395 0.688 -4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.536 1.793 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.867 0.683 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.130 -0.570 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 86 -6.588 -0.535 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.655 -0.356 -8.457 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.118 -1.175 -9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.454 -1.586 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.690 -1.866 -7.507 1.00 0.00 H new ATOM 1364 N LEU A 87 -2.081 4.730 -5.619 1.00 0.00 N ATOM 1365 CA LEU A 87 -1.506 5.983 -5.111 1.00 0.00 C ATOM 1366 C LEU A 87 -1.345 7.029 -6.215 1.00 0.00 C ATOM 1367 O LEU A 87 -1.333 8.224 -5.922 1.00 0.00 O ATOM 1368 CB LEU A 87 -0.156 5.715 -4.429 1.00 0.00 C ATOM 1369 CG LEU A 87 -0.238 5.158 -2.999 1.00 0.00 C ATOM 1370 CD1 LEU A 87 -0.248 3.644 -3.008 1.00 0.00 C ATOM 1371 CD2 LEU A 87 0.920 5.661 -2.155 1.00 0.00 C ATOM 0 H LEU A 87 -1.405 3.974 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.203 6.387 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.408 5.013 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.411 6.646 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.171 5.511 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.306 3.274 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.111 3.289 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.666 3.277 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.840 5.253 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.862 5.342 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.891 6.750 -2.109 1.00 0.00 H new ATOM 1383 N GLY A 88 -1.240 6.598 -7.477 1.00 0.00 N ATOM 1384 CA GLY A 88 -1.111 7.560 -8.561 1.00 0.00 C ATOM 1385 C GLY A 88 -0.045 7.217 -9.579 1.00 0.00 C ATOM 1386 O GLY A 88 0.931 6.535 -9.268 1.00 0.00 O ATOM 0 H GLY A 88 -1.242 5.618 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.070 7.644 -9.072 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.889 8.539 -8.137 1.00 0.00 H new ATOM 1390 N ARG A 89 -0.231 7.721 -10.802 1.00 0.00 N ATOM 1391 CA ARG A 89 0.722 7.502 -11.885 1.00 0.00 C ATOM 1392 C ARG A 89 1.915 8.458 -11.760 1.00 0.00 C ATOM 1393 O ARG A 89 2.936 8.269 -12.422 1.00 0.00 O ATOM 1394 CB ARG A 89 0.037 7.678 -13.244 1.00 0.00 C ATOM 1395 CG ARG A 89 -0.983 6.593 -13.556 1.00 0.00 C ATOM 1396 CD ARG A 89 -0.857 6.094 -14.988 1.00 0.00 C ATOM 1397 NE ARG A 89 -2.064 6.358 -15.773 1.00 0.00 N ATOM 1398 CZ ARG A 89 -2.154 6.170 -17.093 1.00 0.00 C ATOM 1399 NH1 ARG A 89 -1.113 5.708 -17.782 1.00 0.00 N ATOM 1400 NH2 ARG A 89 -3.290 6.443 -17.725 1.00 0.00 N ATOM 0 H ARG A 89 -1.039 8.286 -11.064 1.00 0.00 H new ATOM 0 HA ARG A 89 1.093 6.480 -11.812 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.458 8.649 -13.269 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.796 7.687 -14.026 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.849 5.759 -12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.988 6.982 -13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.003 6.575 -15.465 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.657 5.023 -14.981 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.887 6.707 -15.282 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.238 5.495 -17.303 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.190 5.567 -18.789 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.092 6.796 -17.203 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.360 6.300 -18.732 1.00 0.00 H new ATOM 1414 N ASN A 90 1.778 9.478 -10.897 1.00 0.00 N ATOM 1415 CA ASN A 90 2.843 10.458 -10.669 1.00 0.00 C ATOM 1416 C ASN A 90 4.013 9.809 -9.926 1.00 0.00 C ATOM 1417 O ASN A 90 4.147 9.934 -8.708 1.00 0.00 O ATOM 1418 CB ASN A 90 2.318 11.669 -9.880 1.00 0.00 C ATOM 1419 CG ASN A 90 1.307 11.292 -8.810 1.00 0.00 C ATOM 1420 OD1 ASN A 90 1.795 10.877 -7.646 1.00 0.00 O flip ATOM 1421 ND2 ASN A 90 0.101 11.372 -9.029 1.00 0.00 N flip ATOM 0 H ASN A 90 0.936 9.642 -10.346 1.00 0.00 H new ATOM 0 HA ASN A 90 3.193 10.810 -11.640 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.158 12.182 -9.412 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.859 12.375 -10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.232 11.696 -9.937 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.567 11.115 -8.303 1.00 0.00 H new ATOM 1428 N TYR A 91 4.847 9.105 -10.684 1.00 0.00 N ATOM 1429 CA TYR A 91 6.013 8.404 -10.148 1.00 0.00 C ATOM 1430 C TYR A 91 6.994 9.346 -9.431 1.00 0.00 C ATOM 1431 O TYR A 91 7.862 8.883 -8.691 1.00 0.00 O ATOM 1432 CB TYR A 91 6.688 7.638 -11.287 1.00 0.00 C ATOM 1433 CG TYR A 91 7.948 6.885 -10.916 1.00 0.00 C ATOM 1434 CD1 TYR A 91 9.177 7.527 -10.859 1.00 0.00 C ATOM 1435 CD2 TYR A 91 7.908 5.522 -10.658 1.00 0.00 C ATOM 1436 CE1 TYR A 91 10.330 6.835 -10.547 1.00 0.00 C ATOM 1437 CE2 TYR A 91 9.058 4.817 -10.351 1.00 0.00 C ATOM 1438 CZ TYR A 91 10.267 5.482 -10.295 1.00 0.00 C ATOM 1439 OH TYR A 91 11.418 4.793 -9.989 1.00 0.00 O ATOM 0 H TYR A 91 4.734 9.003 -11.693 1.00 0.00 H new ATOM 0 HA TYR A 91 5.679 7.703 -9.383 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.970 6.928 -11.698 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.929 8.344 -12.082 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.232 8.586 -11.062 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.962 5.002 -10.698 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.277 7.352 -10.501 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.011 3.756 -10.157 1.00 0.00 H new ATOM 0 HH TYR A 91 11.186 3.933 -9.581 1.00 0.00 H new ATOM 1449 N LEU A 92 6.845 10.661 -9.623 1.00 0.00 N ATOM 1450 CA LEU A 92 7.717 11.630 -8.957 1.00 0.00 C ATOM 1451 C LEU A 92 7.462 11.592 -7.451 1.00 0.00 C ATOM 1452 O LEU A 92 8.375 11.354 -6.658 1.00 0.00 O ATOM 1453 CB LEU A 92 7.480 13.045 -9.493 1.00 0.00 C ATOM 1454 CG LEU A 92 7.798 13.241 -10.974 1.00 0.00 C ATOM 1455 CD1 LEU A 92 6.700 12.635 -11.828 1.00 0.00 C ATOM 1456 CD2 LEU A 92 7.972 14.718 -11.294 1.00 0.00 C ATOM 0 H LEU A 92 6.136 11.074 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 92 8.754 11.362 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.436 13.310 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.084 13.742 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 92 8.736 12.733 -11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.937 12.780 -12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.622 11.568 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.751 13.120 -11.599 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.198 14.837 -12.354 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.052 15.252 -11.057 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.791 15.125 -10.701 1.00 0.00 H new ATOM 1468 N GLN A 93 6.198 11.801 -7.075 1.00 0.00 N ATOM 1469 CA GLN A 93 5.782 11.768 -5.675 1.00 0.00 C ATOM 1470 C GLN A 93 5.762 10.327 -5.174 1.00 0.00 C ATOM 1471 O GLN A 93 6.316 10.016 -4.117 1.00 0.00 O ATOM 1472 CB GLN A 93 4.387 12.384 -5.530 1.00 0.00 C ATOM 1473 CG GLN A 93 4.388 13.899 -5.416 1.00 0.00 C ATOM 1474 CD GLN A 93 5.306 14.404 -4.319 1.00 0.00 C ATOM 1475 OE1 GLN A 93 6.518 14.502 -4.505 1.00 0.00 O ATOM 1476 NE2 GLN A 93 4.734 14.729 -3.167 1.00 0.00 N ATOM 0 H GLN A 93 5.440 11.996 -7.729 1.00 0.00 H new ATOM 0 HA GLN A 93 6.491 12.345 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.783 12.095 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.906 11.964 -4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.696 14.331 -6.369 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.373 14.245 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.725 14.633 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.303 15.075 -2.395 1.00 0.00 H new ATOM 1485 N VAL A 94 5.130 9.452 -5.959 1.00 0.00 N ATOM 1486 CA VAL A 94 5.038 8.033 -5.628 1.00 0.00 C ATOM 1487 C VAL A 94 6.434 7.453 -5.381 1.00 0.00 C ATOM 1488 O VAL A 94 6.671 6.753 -4.385 1.00 0.00 O ATOM 1489 CB VAL A 94 4.328 7.244 -6.758 1.00 0.00 C ATOM 1490 CG1 VAL A 94 4.291 5.757 -6.447 1.00 0.00 C ATOM 1491 CG2 VAL A 94 2.915 7.777 -6.978 1.00 0.00 C ATOM 0 H VAL A 94 4.672 9.706 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 94 4.446 7.936 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 94 4.900 7.384 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.787 5.228 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.309 5.381 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.750 5.594 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.433 7.211 -7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.339 7.672 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.963 8.829 -7.258 1.00 0.00 H new ATOM 1501 N GLY A 95 7.364 7.775 -6.283 1.00 0.00 N ATOM 1502 CA GLY A 95 8.728 7.310 -6.144 1.00 0.00 C ATOM 1503 C GLY A 95 9.357 7.820 -4.872 1.00 0.00 C ATOM 1504 O GLY A 95 9.864 7.032 -4.083 1.00 0.00 O ATOM 0 H GLY A 95 7.191 8.351 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.744 6.220 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.316 7.641 -7.000 1.00 0.00 H new ATOM 1508 N PHE A 96 9.299 9.141 -4.661 1.00 0.00 N ATOM 1509 CA PHE A 96 9.849 9.758 -3.453 1.00 0.00 C ATOM 1510 C PHE A 96 9.486 8.923 -2.226 1.00 0.00 C ATOM 1511 O PHE A 96 10.325 8.669 -1.364 1.00 0.00 O ATOM 1512 CB PHE A 96 9.314 11.192 -3.297 1.00 0.00 C ATOM 1513 CG PHE A 96 9.264 11.684 -1.872 1.00 0.00 C ATOM 1514 CD1 PHE A 96 8.214 11.333 -1.033 1.00 0.00 C ATOM 1515 CD2 PHE A 96 10.268 12.496 -1.373 1.00 0.00 C ATOM 1516 CE1 PHE A 96 8.171 11.782 0.271 1.00 0.00 C ATOM 1517 CE2 PHE A 96 10.229 12.946 -0.067 1.00 0.00 C ATOM 1518 CZ PHE A 96 9.180 12.589 0.755 1.00 0.00 C ATOM 0 H PHE A 96 8.876 9.801 -5.313 1.00 0.00 H new ATOM 0 HA PHE A 96 10.935 9.799 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.941 11.867 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.311 11.241 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 96 7.422 10.701 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.091 12.781 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.348 11.502 0.912 1.00 0.00 H new ATOM 0 HE2 PHE A 96 11.020 13.577 0.310 1.00 0.00 H new ATOM 0 HZ PHE A 96 9.149 12.941 1.776 1.00 0.00 H new ATOM 1528 N TYR A 97 8.227 8.491 -2.166 1.00 0.00 N ATOM 1529 CA TYR A 97 7.750 7.677 -1.057 1.00 0.00 C ATOM 1530 C TYR A 97 8.505 6.355 -0.975 1.00 0.00 C ATOM 1531 O TYR A 97 8.940 5.955 0.097 1.00 0.00 O ATOM 1532 CB TYR A 97 6.249 7.408 -1.197 1.00 0.00 C ATOM 1533 CG TYR A 97 5.394 8.620 -0.904 1.00 0.00 C ATOM 1534 CD1 TYR A 97 5.533 9.320 0.287 1.00 0.00 C ATOM 1535 CD2 TYR A 97 4.453 9.068 -1.821 1.00 0.00 C ATOM 1536 CE1 TYR A 97 4.759 10.430 0.555 1.00 0.00 C ATOM 1537 CE2 TYR A 97 3.675 10.177 -1.560 1.00 0.00 C ATOM 1538 CZ TYR A 97 3.831 10.855 -0.370 1.00 0.00 C ATOM 1539 OH TYR A 97 3.058 11.962 -0.105 1.00 0.00 O ATOM 0 H TYR A 97 7.521 8.693 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 97 7.931 8.234 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.042 7.062 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.967 6.601 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.259 8.990 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.328 8.539 -2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.880 10.964 1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.947 10.512 -2.284 1.00 0.00 H new ATOM 0 HH TYR A 97 2.455 12.128 -0.860 1.00 0.00 H new ATOM 1549 N THR A 98 8.644 5.669 -2.105 1.00 0.00 N ATOM 1550 CA THR A 98 9.329 4.373 -2.124 1.00 0.00 C ATOM 1551 C THR A 98 10.870 4.481 -2.117 1.00 0.00 C ATOM 1552 O THR A 98 11.540 3.559 -1.653 1.00 0.00 O ATOM 1553 CB THR A 98 8.875 3.562 -3.342 1.00 0.00 C ATOM 1554 OG1 THR A 98 9.125 4.266 -4.544 1.00 0.00 O ATOM 1555 CG2 THR A 98 7.403 3.215 -3.315 1.00 0.00 C ATOM 0 H THR A 98 8.297 5.981 -3.012 1.00 0.00 H new ATOM 0 HA THR A 98 9.051 3.868 -1.199 1.00 0.00 H new ATOM 0 HB THR A 98 9.454 2.639 -3.300 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.475 5.157 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.148 2.641 -4.206 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.185 2.622 -2.427 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.813 4.132 -3.293 1.00 0.00 H new ATOM 1563 N GLU A 99 11.436 5.572 -2.658 1.00 0.00 N ATOM 1564 CA GLU A 99 12.904 5.715 -2.728 1.00 0.00 C ATOM 1565 C GLU A 99 13.529 6.439 -1.537 1.00 0.00 C ATOM 1566 O GLU A 99 14.589 6.024 -1.076 1.00 0.00 O ATOM 1567 CB GLU A 99 13.341 6.407 -4.030 1.00 0.00 C ATOM 1568 CG GLU A 99 12.508 7.621 -4.421 1.00 0.00 C ATOM 1569 CD GLU A 99 13.342 8.737 -5.019 1.00 0.00 C ATOM 1570 OE1 GLU A 99 14.053 9.423 -4.257 1.00 0.00 O ATOM 1571 OE2 GLU A 99 13.284 8.924 -6.252 1.00 0.00 O ATOM 0 H GLU A 99 10.913 6.356 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 99 13.276 4.691 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.381 6.716 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.301 5.681 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.747 7.317 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.985 7.996 -3.541 1.00 0.00 H new ATOM 1578 N VAL A 100 12.926 7.529 -1.063 1.00 0.00 N ATOM 1579 CA VAL A 100 13.504 8.274 0.063 1.00 0.00 C ATOM 1580 C VAL A 100 12.707 8.112 1.362 1.00 0.00 C ATOM 1581 O VAL A 100 13.288 8.003 2.443 1.00 0.00 O ATOM 1582 CB VAL A 100 13.670 9.776 -0.260 1.00 0.00 C ATOM 1583 CG1 VAL A 100 12.328 10.444 -0.507 1.00 0.00 C ATOM 1584 CG2 VAL A 100 14.419 10.479 0.859 1.00 0.00 C ATOM 0 H VAL A 100 12.055 7.913 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 100 14.489 7.835 0.220 1.00 0.00 H new ATOM 0 HB VAL A 100 14.253 9.857 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 100 12.483 11.499 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.832 9.963 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.705 10.350 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 100 14.528 11.536 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.862 10.376 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.406 10.030 0.975 1.00 0.00 H new ATOM 1594 N LEU A 101 11.384 8.132 1.250 1.00 0.00 N ATOM 1595 CA LEU A 101 10.495 8.024 2.410 1.00 0.00 C ATOM 1596 C LEU A 101 10.578 6.657 3.106 1.00 0.00 C ATOM 1597 O LEU A 101 10.960 6.568 4.269 1.00 0.00 O ATOM 1598 CB LEU A 101 9.049 8.289 1.970 1.00 0.00 C ATOM 1599 CG LEU A 101 8.144 8.917 3.028 1.00 0.00 C ATOM 1600 CD1 LEU A 101 8.079 8.025 4.255 1.00 0.00 C ATOM 1601 CD2 LEU A 101 8.642 10.304 3.399 1.00 0.00 C ATOM 0 H LEU A 101 10.895 8.223 0.359 1.00 0.00 H new ATOM 0 HA LEU A 101 10.821 8.770 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.067 8.943 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.606 7.345 1.652 1.00 0.00 H new ATOM 0 HG LEU A 101 7.140 9.015 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.431 8.482 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.679 7.050 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.080 7.902 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.985 10.736 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.654 10.233 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.644 10.939 2.513 1.00 0.00 H new ATOM 1613 N PHE A 102 10.174 5.611 2.389 1.00 0.00 N ATOM 1614 CA PHE A 102 10.138 4.235 2.910 1.00 0.00 C ATOM 1615 C PHE A 102 11.496 3.686 3.410 1.00 0.00 C ATOM 1616 O PHE A 102 11.525 2.885 4.340 1.00 0.00 O ATOM 1617 CB PHE A 102 9.584 3.306 1.830 1.00 0.00 C ATOM 1618 CG PHE A 102 8.106 3.463 1.564 1.00 0.00 C ATOM 1619 CD1 PHE A 102 7.443 4.622 1.924 1.00 0.00 C ATOM 1620 CD2 PHE A 102 7.383 2.450 0.945 1.00 0.00 C ATOM 1621 CE1 PHE A 102 6.096 4.773 1.677 1.00 0.00 C ATOM 1622 CE2 PHE A 102 6.029 2.596 0.699 1.00 0.00 C ATOM 1623 CZ PHE A 102 5.387 3.759 1.067 1.00 0.00 C ATOM 0 H PHE A 102 9.859 5.689 1.422 1.00 0.00 H new ATOM 0 HA PHE A 102 9.495 4.268 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 102 10.128 3.484 0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 102 9.780 2.274 2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 102 7.989 5.420 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.884 1.539 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.595 5.686 1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.477 1.801 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.330 3.876 0.878 1.00 0.00 H new ATOM 1633 N PRO A 103 12.627 4.066 2.784 1.00 0.00 N ATOM 1634 CA PRO A 103 13.975 3.575 3.153 1.00 0.00 C ATOM 1635 C PRO A 103 14.267 3.505 4.655 1.00 0.00 C ATOM 1636 O PRO A 103 14.995 2.614 5.096 1.00 0.00 O ATOM 1637 CB PRO A 103 14.884 4.612 2.514 1.00 0.00 C ATOM 1638 CG PRO A 103 14.151 5.056 1.302 1.00 0.00 C ATOM 1639 CD PRO A 103 12.687 4.977 1.631 1.00 0.00 C ATOM 0 HA PRO A 103 14.104 2.545 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 103 15.072 5.445 3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.853 4.185 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.432 6.073 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 103 14.391 4.420 0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.280 5.958 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.109 4.594 0.790 1.00 0.00 H new ATOM 1647 N GLN A 104 13.736 4.450 5.432 1.00 0.00 N ATOM 1648 CA GLN A 104 13.990 4.483 6.887 1.00 0.00 C ATOM 1649 C GLN A 104 13.771 3.120 7.552 1.00 0.00 C ATOM 1650 O GLN A 104 14.391 2.824 8.574 1.00 0.00 O ATOM 1651 CB GLN A 104 13.140 5.532 7.614 1.00 0.00 C ATOM 1652 CG GLN A 104 12.587 6.627 6.722 1.00 0.00 C ATOM 1653 CD GLN A 104 12.083 7.822 7.506 1.00 0.00 C ATOM 1654 OE1 GLN A 104 12.826 8.768 7.762 1.00 0.00 O ATOM 1655 NE2 GLN A 104 10.815 7.785 7.896 1.00 0.00 N ATOM 0 H GLN A 104 13.133 5.198 5.090 1.00 0.00 H new ATOM 0 HA GLN A 104 15.041 4.758 6.980 1.00 0.00 H new ATOM 0 HB2 GLN A 104 12.308 5.028 8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.744 5.990 8.397 1.00 0.00 H new ATOM 0 HG2 GLN A 104 13.364 6.953 6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.773 6.223 6.120 1.00 0.00 H new ATOM 0 HE21 GLN A 104 10.233 6.981 7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.423 8.561 8.429 1.00 0.00 H new ATOM 1664 N LYS A 105 12.888 2.295 6.982 1.00 0.00 N ATOM 1665 CA LYS A 105 12.603 0.976 7.549 1.00 0.00 C ATOM 1666 C LYS A 105 12.837 -0.160 6.542 1.00 0.00 C ATOM 1667 O LYS A 105 12.500 -1.310 6.830 1.00 0.00 O ATOM 1668 CB LYS A 105 11.153 0.892 8.067 1.00 0.00 C ATOM 1669 CG LYS A 105 10.425 2.225 8.175 1.00 0.00 C ATOM 1670 CD LYS A 105 10.055 2.783 6.816 1.00 0.00 C ATOM 1671 CE LYS A 105 10.440 4.245 6.713 1.00 0.00 C ATOM 1672 NZ LYS A 105 9.380 5.058 6.070 1.00 0.00 N ATOM 0 H LYS A 105 12.363 2.515 6.136 1.00 0.00 H new ATOM 0 HA LYS A 105 13.299 0.850 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.585 0.239 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.162 0.420 9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 105 9.522 2.097 8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.056 2.941 8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 105 10.558 2.214 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.983 2.672 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.642 4.637 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.363 4.337 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.816 5.755 5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.749 4.437 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 8.831 5.553 6.801 1.00 0.00 H new ATOM 1686 N ASN A 106 13.395 0.155 5.362 1.00 0.00 N ATOM 1687 CA ASN A 106 13.638 -0.855 4.328 1.00 0.00 C ATOM 1688 C ASN A 106 12.307 -1.459 3.886 1.00 0.00 C ATOM 1689 O ASN A 106 11.771 -2.366 4.524 1.00 0.00 O ATOM 1690 CB ASN A 106 14.600 -1.930 4.834 1.00 0.00 C ATOM 1691 CG ASN A 106 14.816 -3.047 3.833 1.00 0.00 C ATOM 1692 OD1 ASN A 106 14.154 -4.083 3.886 1.00 0.00 O ATOM 1693 ND2 ASN A 106 15.751 -2.841 2.914 1.00 0.00 N ATOM 0 H ASN A 106 13.684 1.098 5.104 1.00 0.00 H new ATOM 0 HA ASN A 106 14.109 -0.382 3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.560 -1.470 5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.212 -2.350 5.762 1.00 0.00 H new ATOM 0 HD21 ASN A 106 15.945 -3.557 2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.276 -1.966 2.908 1.00 0.00 H new ATOM 1700 N VAL A 107 11.755 -0.893 2.820 1.00 0.00 N ATOM 1701 CA VAL A 107 10.453 -1.296 2.305 1.00 0.00 C ATOM 1702 C VAL A 107 10.503 -2.153 1.048 1.00 0.00 C ATOM 1703 O VAL A 107 11.377 -2.001 0.194 1.00 0.00 O ATOM 1704 CB VAL A 107 9.589 -0.077 2.003 1.00 0.00 C ATOM 1705 CG1 VAL A 107 9.893 0.449 0.604 1.00 0.00 C ATOM 1706 CG2 VAL A 107 8.125 -0.444 2.158 1.00 0.00 C ATOM 0 H VAL A 107 12.197 -0.143 2.289 1.00 0.00 H new ATOM 0 HA VAL A 107 10.026 -1.906 3.101 1.00 0.00 H new ATOM 0 HB VAL A 107 9.817 0.721 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.270 1.320 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.944 0.732 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.683 -0.328 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.507 0.427 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 107 7.876 -1.247 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.939 -0.777 3.179 1.00 0.00 H new ATOM 1716 N ARG A 108 9.497 -3.009 0.936 1.00 0.00 N ATOM 1717 CA ARG A 108 9.316 -3.865 -0.217 1.00 0.00 C ATOM 1718 C ARG A 108 7.927 -3.598 -0.778 1.00 0.00 C ATOM 1719 O ARG A 108 6.933 -4.160 -0.315 1.00 0.00 O ATOM 1720 CB ARG A 108 9.494 -5.340 0.151 1.00 0.00 C ATOM 1721 CG ARG A 108 10.415 -6.099 -0.794 1.00 0.00 C ATOM 1722 CD ARG A 108 9.937 -6.014 -2.238 1.00 0.00 C ATOM 1723 NE ARG A 108 9.802 -7.334 -2.857 1.00 0.00 N ATOM 1724 CZ ARG A 108 9.164 -7.558 -4.009 1.00 0.00 C ATOM 1725 NH1 ARG A 108 8.596 -6.555 -4.673 1.00 0.00 N ATOM 1726 NH2 ARG A 108 9.093 -8.790 -4.499 1.00 0.00 N ATOM 0 H ARG A 108 8.780 -3.126 1.652 1.00 0.00 H new ATOM 0 HA ARG A 108 10.072 -3.643 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.891 -5.407 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 108 8.517 -5.824 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 108 11.425 -5.695 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 108 10.467 -7.144 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 108 8.976 -5.500 -2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 108 10.640 -5.414 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 108 10.221 -8.132 -2.379 1.00 0.00 H new ATOM 0 HH11 ARG A 108 8.646 -5.606 -4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.111 -6.735 -5.552 1.00 0.00 H new ATOM 0 HH21 ARG A 108 9.525 -9.565 -3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.606 -8.962 -5.379 1.00 0.00 H new ATOM 1740 N PHE A 109 7.864 -2.691 -1.746 1.00 0.00 N ATOM 1741 CA PHE A 109 6.598 -2.291 -2.340 1.00 0.00 C ATOM 1742 C PHE A 109 6.120 -3.297 -3.382 1.00 0.00 C ATOM 1743 O PHE A 109 6.923 -3.879 -4.114 1.00 0.00 O ATOM 1744 CB PHE A 109 6.745 -0.920 -2.990 1.00 0.00 C ATOM 1745 CG PHE A 109 5.509 -0.076 -2.908 1.00 0.00 C ATOM 1746 CD1 PHE A 109 4.401 -0.360 -3.689 1.00 0.00 C ATOM 1747 CD2 PHE A 109 5.464 1.008 -2.055 1.00 0.00 C ATOM 1748 CE1 PHE A 109 3.268 0.423 -3.617 1.00 0.00 C ATOM 1749 CE2 PHE A 109 4.338 1.801 -1.976 1.00 0.00 C ATOM 1750 CZ PHE A 109 3.235 1.508 -2.760 1.00 0.00 C ATOM 0 H PHE A 109 8.679 -2.218 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 109 5.855 -2.251 -1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.569 -0.389 -2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 109 7.015 -1.052 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.425 -1.204 -4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.322 1.239 -1.441 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.409 0.190 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.317 2.647 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.351 2.125 -2.702 1.00 0.00 H new ATOM 1760 N LEU A 110 4.803 -3.492 -3.444 1.00 0.00 N ATOM 1761 CA LEU A 110 4.213 -4.422 -4.395 1.00 0.00 C ATOM 1762 C LEU A 110 3.035 -3.792 -5.132 1.00 0.00 C ATOM 1763 O LEU A 110 2.092 -3.283 -4.524 1.00 0.00 O ATOM 1764 CB LEU A 110 3.782 -5.715 -3.683 1.00 0.00 C ATOM 1765 CG LEU A 110 2.849 -6.653 -4.470 1.00 0.00 C ATOM 1766 CD1 LEU A 110 1.420 -6.135 -4.451 1.00 0.00 C ATOM 1767 CD2 LEU A 110 3.339 -6.832 -5.902 1.00 0.00 C ATOM 0 H LEU A 110 4.128 -3.016 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 110 4.971 -4.670 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.679 -6.272 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.286 -5.443 -2.752 1.00 0.00 H new ATOM 0 HG LEU A 110 2.864 -7.628 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.779 -6.814 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.069 -6.074 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.386 -5.145 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.663 -7.499 -6.437 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.364 -5.864 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.341 -7.262 -5.893 1.00 0.00 H new ATOM 1779 N ALA A 111 3.105 -3.871 -6.453 1.00 0.00 N ATOM 1780 CA ALA A 111 2.064 -3.365 -7.339 1.00 0.00 C ATOM 1781 C ALA A 111 1.621 -4.511 -8.232 1.00 0.00 C ATOM 1782 O ALA A 111 2.337 -4.903 -9.152 1.00 0.00 O ATOM 1783 CB ALA A 111 2.575 -2.180 -8.146 1.00 0.00 C ATOM 0 H ALA A 111 3.893 -4.292 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 111 1.211 -3.002 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.783 -1.817 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.879 -1.382 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.429 -2.491 -8.747 1.00 0.00 H new ATOM 1789 N ILE A 112 0.483 -5.103 -7.903 1.00 0.00 N ATOM 1790 CA ILE A 112 0.000 -6.278 -8.633 1.00 0.00 C ATOM 1791 C ILE A 112 -0.384 -6.023 -10.103 1.00 0.00 C ATOM 1792 O ILE A 112 0.087 -6.738 -10.989 1.00 0.00 O ATOM 1793 CB ILE A 112 -1.174 -6.944 -7.883 1.00 0.00 C ATOM 1794 CG1 ILE A 112 -0.632 -7.685 -6.663 1.00 0.00 C ATOM 1795 CG2 ILE A 112 -1.940 -7.896 -8.792 1.00 0.00 C ATOM 1796 CD1 ILE A 112 -1.549 -7.665 -5.464 1.00 0.00 C ATOM 0 H ILE A 112 -0.123 -4.796 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 112 0.855 -6.953 -8.670 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.871 -6.171 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.437 -8.721 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 112 0.325 -7.245 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -2.760 -8.349 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -2.340 -7.344 -9.643 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -1.269 -8.677 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -1.087 -8.214 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.725 -6.634 -5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.498 -8.133 -5.724 1.00 0.00 H new ATOM 1808 N ASN A 113 -1.259 -5.052 -10.362 1.00 0.00 N ATOM 1809 CA ASN A 113 -1.725 -4.769 -11.732 1.00 0.00 C ATOM 1810 C ASN A 113 -0.724 -3.955 -12.574 1.00 0.00 C ATOM 1811 O ASN A 113 -1.141 -3.130 -13.389 1.00 0.00 O ATOM 1812 CB ASN A 113 -3.071 -4.037 -11.674 1.00 0.00 C ATOM 1813 CG ASN A 113 -3.994 -4.409 -12.820 1.00 0.00 C ATOM 1814 OD1 ASN A 113 -5.068 -5.125 -12.510 1.00 0.00 O flip ATOM 1815 ND2 ASN A 113 -3.750 -4.049 -13.971 1.00 0.00 N flip ATOM 0 H ASN A 113 -1.662 -4.446 -9.648 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.829 -5.733 -12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -3.563 -4.266 -10.729 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.895 -2.961 -11.690 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.913 -3.499 -14.167 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -4.384 -4.300 -14.729 1.00 0.00 H new ATOM 1822 N ASN A 114 0.584 -4.193 -12.396 1.00 0.00 N ATOM 1823 CA ASN A 114 1.619 -3.477 -13.161 1.00 0.00 C ATOM 1824 C ASN A 114 3.005 -3.669 -12.547 1.00 0.00 C ATOM 1825 O ASN A 114 3.152 -4.295 -11.500 1.00 0.00 O ATOM 1826 CB ASN A 114 1.314 -1.977 -13.232 1.00 0.00 C ATOM 1827 CG ASN A 114 1.118 -1.490 -14.656 1.00 0.00 C ATOM 1828 OD1 ASN A 114 2.012 -1.608 -15.494 1.00 0.00 O ATOM 1829 ND2 ASN A 114 -0.055 -0.937 -14.939 1.00 0.00 N ATOM 0 H ASN A 114 0.951 -4.874 -11.731 1.00 0.00 H new ATOM 0 HA ASN A 114 1.613 -3.899 -14.166 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.416 -1.764 -12.652 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.130 -1.421 -12.771 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -0.242 -0.591 -15.880 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.770 -0.858 -14.215 1.00 0.00 H new ATOM 1836 N SER A 115 4.020 -3.104 -13.203 1.00 0.00 N ATOM 1837 CA SER A 115 5.392 -3.189 -12.716 1.00 0.00 C ATOM 1838 C SER A 115 5.649 -2.083 -11.694 1.00 0.00 C ATOM 1839 O SER A 115 5.606 -0.897 -12.025 1.00 0.00 O ATOM 1840 CB SER A 115 6.385 -3.083 -13.877 1.00 0.00 C ATOM 1841 OG SER A 115 6.388 -4.266 -14.658 1.00 0.00 O ATOM 0 H SER A 115 3.914 -2.583 -14.073 1.00 0.00 H new ATOM 0 HA SER A 115 5.533 -4.157 -12.235 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.125 -2.230 -14.504 1.00 0.00 H new ATOM 0 HB3 SER A 115 7.386 -2.899 -13.487 1.00 0.00 H new ATOM 0 HG SER A 115 7.029 -4.171 -15.393 1.00 0.00 H new ATOM 1847 N ILE A 116 5.887 -2.483 -10.446 1.00 0.00 N ATOM 1848 CA ILE A 116 6.122 -1.535 -9.358 1.00 0.00 C ATOM 1849 C ILE A 116 7.352 -0.650 -9.604 1.00 0.00 C ATOM 1850 O ILE A 116 7.277 0.569 -9.456 1.00 0.00 O ATOM 1851 CB ILE A 116 6.241 -2.267 -7.994 1.00 0.00 C ATOM 1852 CG1 ILE A 116 5.549 -1.454 -6.894 1.00 0.00 C ATOM 1853 CG2 ILE A 116 7.694 -2.542 -7.628 1.00 0.00 C ATOM 1854 CD1 ILE A 116 6.287 -0.189 -6.510 1.00 0.00 C ATOM 0 H ILE A 116 5.922 -3.462 -10.162 1.00 0.00 H new ATOM 0 HA ILE A 116 5.254 -0.877 -9.327 1.00 0.00 H new ATOM 0 HB ILE A 116 5.741 -3.231 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.545 -1.190 -7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 116 5.437 -2.080 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.736 -3.055 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 116 8.150 -3.169 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.237 -1.599 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.735 0.331 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.282 -0.445 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.376 0.459 -7.382 1.00 0.00 H new ATOM 1866 N ASP A 117 8.478 -1.265 -9.971 1.00 0.00 N ATOM 1867 CA ASP A 117 9.717 -0.523 -10.223 1.00 0.00 C ATOM 1868 C ASP A 117 10.788 -1.435 -10.831 1.00 0.00 C ATOM 1869 O ASP A 117 11.964 -1.352 -10.470 1.00 0.00 O ATOM 1870 CB ASP A 117 10.241 0.080 -8.916 1.00 0.00 C ATOM 1871 CG ASP A 117 10.986 1.381 -9.136 1.00 0.00 C ATOM 1872 OD1 ASP A 117 12.166 1.331 -9.539 1.00 0.00 O ATOM 1873 OD2 ASP A 117 10.390 2.448 -8.903 1.00 0.00 O ATOM 0 H ASP A 117 8.558 -2.274 -10.100 1.00 0.00 H new ATOM 0 HA ASP A 117 9.496 0.275 -10.932 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.405 0.254 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.903 -0.636 -8.429 1.00 0.00 H new