USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 243 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 53 TYR OH : rot 180:sc= -0.0613 USER MOD Set 1.2: A 69 ASN : amide:sc= -2.14! C(o=-1.7!,f=-4.7!) USER MOD Set 1.3: A 71 ASN : amide:sc= 0.546 K(o=-1.7,f=-2.8) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -159:sc= -0.0163 (180deg=-0.323) USER MOD Set 2.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 57 TYR OH : rot 180:sc= -0.383 USER MOD Set 3.2: A 66 THR OG1 : rot 139:sc= 1.33 USER MOD Set 4.1: A 5 GLN : amide:sc= 0.811 X(o=1.7,f=1.6) USER MOD Set 4.2: A 39 SER OG : rot -174:sc= 0.896 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc=-0.00615 (180deg=-0.0756) USER MOD Single : A 17 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.19) USER MOD Single : A 18 SER OG : rot -120:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 140:sc= 0.148 USER MOD Single : A 23 TYR OH : rot -118:sc= 0.216 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.215 K(o=-0.22,f=-1.1) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.000743 F(o=-0.54,f=-0.00074) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= -0.0263 (180deg=-0.219) USER MOD Single : A 46 SER OG : rot -47:sc= 0.477 USER MOD Single : A 47 THR OG1 : rot 58:sc= -0.851 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -30:sc= -0.287! USER MOD Single : A 59 ASN : amide:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 62 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.046) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.31 (180deg=1.03) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.939 F(o=-3.5!,f=-0.94) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.95) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0433 F(o=-3.3!,f=-0.043) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -60:sc= 1.04 USER MOD Single : A 92 MET CE :methyl 152:sc= 0 (180deg=-1.27) USER MOD Single : A 93 ASN : amide:sc= 0.0474 K(o=0.047,f=-6.5!) USER MOD Single : A 94 THR OG1 : rot 66:sc= 0.0613 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -145:sc= -0.212 (180deg=-1.83!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= -2.51 (180deg=-2.51) USER MOD Single : A 108 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.49) USER MOD Single : A 109 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0173) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 -0.543 -9.942 -6.982 1.00 0.00 N ATOM 26 CA GLU A 4 0.123 -9.700 -8.283 1.00 0.00 C ATOM 27 C GLU A 4 -0.866 -9.906 -9.448 1.00 0.00 C ATOM 28 O GLU A 4 -1.872 -10.591 -9.270 1.00 0.00 O ATOM 29 CB GLU A 4 1.320 -10.655 -8.439 1.00 0.00 C ATOM 30 CG GLU A 4 0.914 -12.137 -8.462 1.00 0.00 C ATOM 31 CD GLU A 4 2.054 -13.110 -8.773 1.00 0.00 C ATOM 32 OE1 GLU A 4 3.170 -12.889 -8.252 1.00 0.00 O ATOM 33 OE2 GLU A 4 1.769 -14.083 -9.503 1.00 0.00 O ATOM 0 HA GLU A 4 0.475 -8.669 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.849 -10.416 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.018 -10.489 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.487 -12.397 -7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.127 -12.272 -9.204 1.00 0.00 H new ATOM 35 N GLN A 5 -0.472 -9.471 -10.647 1.00 0.00 N ATOM 36 CA GLN A 5 -1.342 -9.485 -11.845 1.00 0.00 C ATOM 37 C GLN A 5 -2.551 -8.554 -11.644 1.00 0.00 C ATOM 38 O GLN A 5 -3.675 -8.976 -11.376 1.00 0.00 O ATOM 39 CB GLN A 5 -1.779 -10.912 -12.220 1.00 0.00 C ATOM 40 CG GLN A 5 -0.764 -11.671 -13.075 1.00 0.00 C ATOM 41 CD GLN A 5 -1.110 -11.490 -14.554 1.00 0.00 C ATOM 42 OE1 GLN A 5 -0.554 -10.667 -15.270 1.00 0.00 O ATOM 43 NE2 GLN A 5 -2.084 -12.255 -15.008 1.00 0.00 N ATOM 0 H GLN A 5 0.460 -9.096 -10.824 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.760 -9.107 -12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.962 -11.476 -11.306 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.725 -10.861 -12.758 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.243 -11.302 -12.878 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.772 -12.730 -12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.530 -12.933 -14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.391 -12.169 -15.977 1.00 0.00 H new ATOM 47 N PHE A 6 -2.223 -7.267 -11.755 1.00 0.00 N ATOM 48 CA PHE A 6 -3.112 -6.087 -11.651 1.00 0.00 C ATOM 49 C PHE A 6 -3.475 -5.734 -10.197 1.00 0.00 C ATOM 50 O PHE A 6 -4.597 -5.906 -9.718 1.00 0.00 O ATOM 51 CB PHE A 6 -4.357 -6.264 -12.537 1.00 0.00 C ATOM 52 CG PHE A 6 -4.545 -5.109 -13.516 1.00 0.00 C ATOM 53 CD1 PHE A 6 -3.980 -5.180 -14.784 1.00 0.00 C ATOM 54 CD2 PHE A 6 -5.405 -4.069 -13.188 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.288 -4.214 -15.732 1.00 0.00 C ATOM 56 CE2 PHE A 6 -5.720 -3.109 -14.142 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.165 -3.184 -15.414 1.00 0.00 C ATOM 0 H PHE A 6 -1.258 -6.990 -11.934 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.553 -5.229 -12.026 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.274 -7.198 -13.093 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.241 -6.348 -11.904 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.303 -5.985 -15.031 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.827 -4.007 -12.196 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.846 -4.263 -16.716 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.396 -2.304 -13.895 1.00 0.00 H new ATOM 0 HZ PHE A 6 -5.416 -2.441 -16.156 1.00 0.00 H new ATOM 64 N GLU A 7 -2.539 -5.023 -9.579 1.00 0.00 N ATOM 65 CA GLU A 7 -2.647 -4.609 -8.168 1.00 0.00 C ATOM 66 C GLU A 7 -3.134 -3.159 -8.044 1.00 0.00 C ATOM 67 O GLU A 7 -2.345 -2.220 -7.976 1.00 0.00 O ATOM 68 CB GLU A 7 -1.279 -4.801 -7.511 1.00 0.00 C ATOM 69 CG GLU A 7 -1.368 -5.806 -6.370 1.00 0.00 C ATOM 70 CD GLU A 7 -0.004 -6.263 -5.848 1.00 0.00 C ATOM 71 OE1 GLU A 7 0.874 -6.596 -6.676 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.132 -6.287 -4.605 1.00 0.00 O ATOM 0 H GLU A 7 -1.680 -4.713 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.389 -5.224 -7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.559 -5.147 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.914 -3.846 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.932 -5.362 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.929 -6.677 -6.707 1.00 0.00 H new ATOM 74 N LEU A 8 -4.453 -3.016 -8.024 1.00 0.00 N ATOM 75 CA LEU A 8 -5.114 -1.702 -7.902 1.00 0.00 C ATOM 76 C LEU A 8 -5.651 -1.494 -6.477 1.00 0.00 C ATOM 77 O LEU A 8 -6.566 -2.180 -6.023 1.00 0.00 O ATOM 78 CB LEU A 8 -6.210 -1.586 -8.971 1.00 0.00 C ATOM 79 CG LEU A 8 -6.856 -0.197 -9.023 1.00 0.00 C ATOM 80 CD1 LEU A 8 -6.994 0.261 -10.476 1.00 0.00 C ATOM 81 CD2 LEU A 8 -8.237 -0.217 -8.359 1.00 0.00 C ATOM 0 H LEU A 8 -5.103 -3.799 -8.091 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.392 -0.904 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.783 -1.818 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.981 -2.331 -8.775 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.216 0.499 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.454 1.249 -10.504 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.008 0.307 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.619 -0.446 -11.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.678 0.779 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.881 -0.925 -8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.135 -0.519 -7.317 1.00 0.00 H new ATOM 83 N PHE A 9 -4.960 -0.617 -5.757 1.00 0.00 N ATOM 84 CA PHE A 9 -5.325 -0.261 -4.371 1.00 0.00 C ATOM 85 C PHE A 9 -5.645 1.230 -4.241 1.00 0.00 C ATOM 86 O PHE A 9 -4.936 2.089 -4.759 1.00 0.00 O ATOM 87 CB PHE A 9 -4.201 -0.597 -3.388 1.00 0.00 C ATOM 88 CG PHE A 9 -3.709 -2.037 -3.477 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.428 -3.063 -2.881 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.461 -2.283 -4.029 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.894 -4.343 -2.830 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.915 -3.557 -3.946 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.631 -4.586 -3.354 1.00 0.00 C ATOM 0 H PHE A 9 -4.134 -0.130 -6.106 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.210 -0.849 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.362 0.075 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.550 -0.405 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.402 -2.866 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.917 -1.489 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.459 -5.148 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.929 -3.747 -4.344 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.206 -5.578 -3.300 1.00 0.00 H new ATOM 100 N SER A 10 -6.668 1.506 -3.445 1.00 0.00 N ATOM 101 CA SER A 10 -7.183 2.877 -3.261 1.00 0.00 C ATOM 102 C SER A 10 -7.231 3.257 -1.774 1.00 0.00 C ATOM 103 O SER A 10 -7.732 2.486 -0.953 1.00 0.00 O ATOM 104 CB SER A 10 -8.604 2.924 -3.830 1.00 0.00 C ATOM 105 OG SER A 10 -8.676 2.379 -5.151 1.00 0.00 O ATOM 0 H SER A 10 -7.169 0.799 -2.907 1.00 0.00 H new ATOM 0 HA SER A 10 -6.524 3.580 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.275 2.370 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.953 3.956 -3.845 1.00 0.00 H new ATOM 0 HG SER A 10 -9.600 2.427 -5.475 1.00 0.00 H new ATOM 108 N ILE A 11 -6.687 4.429 -1.438 1.00 0.00 N ATOM 109 CA ILE A 11 -6.719 4.951 -0.048 1.00 0.00 C ATOM 110 C ILE A 11 -8.135 5.335 0.442 1.00 0.00 C ATOM 111 O ILE A 11 -9.087 5.416 -0.330 1.00 0.00 O ATOM 112 CB ILE A 11 -5.688 6.095 0.127 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.169 6.153 1.576 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.230 7.452 -0.337 1.00 0.00 C ATOM 115 CD1 ILE A 11 -3.923 7.024 1.794 1.00 0.00 C ATOM 0 H ILE A 11 -6.216 5.043 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.423 4.131 0.606 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.844 5.866 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.969 6.526 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.944 5.138 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.467 8.217 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.493 7.397 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.116 7.708 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.640 6.997 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.102 6.643 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.142 8.051 1.503 1.00 0.00 H new ATOM 117 N ASP A 12 -8.203 5.582 1.748 1.00 0.00 N ATOM 118 CA ASP A 12 -9.312 6.274 2.445 1.00 0.00 C ATOM 119 C ASP A 12 -9.616 7.746 2.105 1.00 0.00 C ATOM 120 O ASP A 12 -10.738 8.199 2.306 1.00 0.00 O ATOM 121 CB ASP A 12 -9.234 6.075 3.970 1.00 0.00 C ATOM 122 CG ASP A 12 -7.819 6.133 4.558 1.00 0.00 C ATOM 123 OD1 ASP A 12 -7.088 5.129 4.398 1.00 0.00 O ATOM 124 OD2 ASP A 12 -7.450 7.209 5.070 1.00 0.00 O ATOM 0 H ASP A 12 -7.461 5.298 2.387 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.173 5.761 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.844 6.839 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.676 5.110 4.219 1.00 0.00 H new ATOM 126 N LYS A 13 -8.634 8.453 1.543 1.00 0.00 N ATOM 127 CA LYS A 13 -8.647 9.921 1.322 1.00 0.00 C ATOM 128 C LYS A 13 -8.923 10.741 2.595 1.00 0.00 C ATOM 129 O LYS A 13 -9.678 11.712 2.621 1.00 0.00 O ATOM 130 CB LYS A 13 -9.572 10.317 0.167 1.00 0.00 C ATOM 131 CG LYS A 13 -8.786 10.972 -0.970 1.00 0.00 C ATOM 132 CD LYS A 13 -8.538 12.461 -0.734 1.00 0.00 C ATOM 133 CE LYS A 13 -7.691 13.036 -1.868 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.879 14.489 -1.973 1.00 0.00 N ATOM 0 H LYS A 13 -7.774 8.015 1.214 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.629 10.181 1.030 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.090 9.434 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.336 11.005 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.829 10.462 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.331 10.842 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.488 12.991 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.031 12.607 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.639 12.813 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.964 12.560 -2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.295 14.859 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.880 14.697 -2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.596 14.941 -1.080 1.00 0.00 H new ATOM 139 N PHE A 14 -8.221 10.314 3.636 1.00 0.00 N ATOM 140 CA PHE A 14 -8.282 10.936 4.963 1.00 0.00 C ATOM 141 C PHE A 14 -6.875 11.466 5.312 1.00 0.00 C ATOM 142 O PHE A 14 -6.413 12.407 4.671 1.00 0.00 O ATOM 143 CB PHE A 14 -8.835 9.871 5.922 1.00 0.00 C ATOM 144 CG PHE A 14 -9.429 10.391 7.235 1.00 0.00 C ATOM 145 CD1 PHE A 14 -8.928 11.504 7.904 1.00 0.00 C ATOM 146 CD2 PHE A 14 -10.551 9.739 7.732 1.00 0.00 C ATOM 147 CE1 PHE A 14 -9.553 11.967 9.052 1.00 0.00 C ATOM 148 CE2 PHE A 14 -11.176 10.200 8.883 1.00 0.00 C ATOM 149 CZ PHE A 14 -10.679 11.317 9.542 1.00 0.00 C ATOM 0 H PHE A 14 -7.585 9.518 3.588 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.944 11.800 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.604 9.304 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.032 9.174 6.161 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.050 12.008 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.938 8.870 7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.164 12.834 9.566 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.048 9.690 9.266 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.167 11.680 10.434 1.00 0.00 H new ATOM 156 N LYS A 15 -6.140 10.747 6.163 1.00 0.00 N ATOM 157 CA LYS A 15 -4.799 11.138 6.649 1.00 0.00 C ATOM 158 C LYS A 15 -4.192 9.997 7.476 1.00 0.00 C ATOM 159 O LYS A 15 -4.924 9.227 8.097 1.00 0.00 O ATOM 160 CB LYS A 15 -4.929 12.374 7.548 1.00 0.00 C ATOM 161 CG LYS A 15 -4.040 13.528 7.079 1.00 0.00 C ATOM 162 CD LYS A 15 -2.574 13.339 7.488 1.00 0.00 C ATOM 163 CE LYS A 15 -1.673 14.443 6.927 1.00 0.00 C ATOM 164 NZ LYS A 15 -2.080 15.787 7.366 1.00 0.00 N ATOM 0 H LYS A 15 -6.460 9.857 6.546 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.159 11.355 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.968 12.702 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.664 12.106 8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.104 13.615 5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.413 14.463 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.500 13.329 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.222 12.370 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.645 14.260 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.689 14.401 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.371 16.483 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.003 16.024 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.154 15.806 8.403 1.00 0.00 H new ATOM 169 N CYS A 16 -2.881 9.818 7.335 1.00 0.00 N ATOM 170 CA CYS A 16 -2.129 8.849 8.158 1.00 0.00 C ATOM 171 C CYS A 16 -0.825 9.474 8.713 1.00 0.00 C ATOM 172 O CYS A 16 0.271 8.920 8.596 1.00 0.00 O ATOM 173 CB CYS A 16 -1.858 7.574 7.341 1.00 0.00 C ATOM 174 SG CYS A 16 -3.267 6.811 6.449 1.00 0.00 S ATOM 0 H CYS A 16 -2.309 10.327 6.661 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.732 8.575 9.023 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.084 7.804 6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.445 6.825 8.017 1.00 0.00 H new ATOM 176 N ASN A 17 -0.995 10.597 9.419 1.00 0.00 N ATOM 177 CA ASN A 17 0.079 11.476 9.947 1.00 0.00 C ATOM 178 C ASN A 17 1.247 11.713 8.967 1.00 0.00 C ATOM 179 O ASN A 17 1.089 12.495 8.033 1.00 0.00 O ATOM 180 CB ASN A 17 0.584 11.028 11.326 1.00 0.00 C ATOM 181 CG ASN A 17 -0.349 11.335 12.493 1.00 0.00 C ATOM 182 OD1 ASN A 17 -1.445 10.813 12.623 1.00 0.00 O ATOM 183 ND2 ASN A 17 0.126 12.166 13.394 1.00 0.00 N ATOM 0 H ASN A 17 -1.925 10.943 9.654 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.403 12.446 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.762 9.953 11.298 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.545 11.506 11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.424 12.387 14.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.045 12.590 13.263 1.00 0.00 H new ATOM 187 N SER A 18 2.357 10.984 9.128 1.00 0.00 N ATOM 188 CA SER A 18 3.496 11.017 8.187 1.00 0.00 C ATOM 189 C SER A 18 3.039 10.597 6.783 1.00 0.00 C ATOM 190 O SER A 18 3.155 11.367 5.830 1.00 0.00 O ATOM 191 CB SER A 18 4.620 10.065 8.617 1.00 0.00 C ATOM 192 OG SER A 18 5.092 10.380 9.930 1.00 0.00 O ATOM 0 H SER A 18 2.497 10.351 9.915 1.00 0.00 H new ATOM 0 HA SER A 18 3.871 12.040 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.258 9.037 8.595 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.444 10.128 7.907 1.00 0.00 H new ATOM 0 HG SER A 18 6.046 10.601 9.890 1.00 0.00 H new ATOM 195 N GLU A 19 2.325 9.469 6.747 1.00 0.00 N ATOM 196 CA GLU A 19 1.895 8.781 5.514 1.00 0.00 C ATOM 197 C GLU A 19 0.813 9.565 4.763 1.00 0.00 C ATOM 198 O GLU A 19 -0.361 9.590 5.135 1.00 0.00 O ATOM 199 CB GLU A 19 1.425 7.349 5.782 1.00 0.00 C ATOM 200 CG GLU A 19 2.467 6.486 6.497 1.00 0.00 C ATOM 201 CD GLU A 19 2.247 6.460 8.006 1.00 0.00 C ATOM 202 OE1 GLU A 19 1.151 6.015 8.412 1.00 0.00 O ATOM 203 OE2 GLU A 19 3.197 6.826 8.729 1.00 0.00 O ATOM 0 H GLU A 19 2.019 8.991 7.595 1.00 0.00 H new ATOM 0 HA GLU A 19 2.778 8.729 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.517 7.380 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.164 6.878 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.425 5.469 6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.465 6.869 6.282 1.00 0.00 H new ATOM 205 N ALA A 20 1.328 10.286 3.771 1.00 0.00 N ATOM 206 CA ALA A 20 0.604 11.220 2.883 1.00 0.00 C ATOM 207 C ALA A 20 1.551 11.772 1.800 1.00 0.00 C ATOM 208 O ALA A 20 1.662 11.166 0.739 1.00 0.00 O ATOM 209 CB ALA A 20 -0.066 12.362 3.670 1.00 0.00 C ATOM 0 H ALA A 20 2.321 10.238 3.544 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.195 10.662 2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.586 13.024 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.780 11.945 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.694 12.927 4.210 1.00 0.00 H new ATOM 211 N LYS A 21 2.426 12.707 2.174 1.00 0.00 N ATOM 212 CA LYS A 21 3.327 13.416 1.239 1.00 0.00 C ATOM 213 C LYS A 21 4.274 12.497 0.440 1.00 0.00 C ATOM 214 O LYS A 21 3.992 12.169 -0.715 1.00 0.00 O ATOM 215 CB LYS A 21 4.061 14.519 2.016 1.00 0.00 C ATOM 216 CG LYS A 21 3.835 15.879 1.355 1.00 0.00 C ATOM 217 CD LYS A 21 4.640 16.005 0.059 1.00 0.00 C ATOM 218 CE LYS A 21 3.991 17.004 -0.896 1.00 0.00 C ATOM 219 NZ LYS A 21 4.824 17.159 -2.095 1.00 0.00 N ATOM 0 H LYS A 21 2.537 13.003 3.144 1.00 0.00 H new ATOM 0 HA LYS A 21 2.717 13.867 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.705 14.545 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.128 14.298 2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.774 16.011 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.123 16.673 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.657 16.324 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.713 15.030 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.995 16.660 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.868 17.967 -0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.378 17.840 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.765 17.507 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.920 16.240 -2.572 1.00 0.00 H new ATOM 224 N TYR A 22 5.354 12.053 1.085 1.00 0.00 N ATOM 225 CA TYR A 22 6.281 11.019 0.571 1.00 0.00 C ATOM 226 C TYR A 22 5.595 9.710 0.140 1.00 0.00 C ATOM 227 O TYR A 22 6.089 8.992 -0.726 1.00 0.00 O ATOM 228 CB TYR A 22 7.379 10.733 1.608 1.00 0.00 C ATOM 229 CG TYR A 22 6.914 9.976 2.858 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.777 10.356 3.564 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.581 8.814 3.223 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.306 9.560 4.587 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.120 8.035 4.275 1.00 0.00 C ATOM 234 CZ TYR A 22 5.986 8.423 4.971 1.00 0.00 C ATOM 235 OH TYR A 22 5.490 7.696 6.000 1.00 0.00 O ATOM 0 H TYR A 22 5.623 12.406 2.003 1.00 0.00 H new ATOM 0 HA TYR A 22 6.719 11.433 -0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.170 10.157 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.819 11.681 1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.264 11.272 3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.467 8.514 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.392 9.831 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.642 7.131 4.550 1.00 0.00 H new ATOM 0 HH TYR A 22 5.581 6.741 5.800 1.00 0.00 H new ATOM 242 N TYR A 23 4.420 9.436 0.708 1.00 0.00 N ATOM 243 CA TYR A 23 3.560 8.329 0.254 1.00 0.00 C ATOM 244 C TYR A 23 3.149 8.513 -1.201 1.00 0.00 C ATOM 245 O TYR A 23 3.753 7.915 -2.087 1.00 0.00 O ATOM 246 CB TYR A 23 2.329 8.178 1.151 1.00 0.00 C ATOM 247 CG TYR A 23 2.509 6.959 2.039 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.575 6.925 2.923 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.740 5.826 1.805 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.864 5.759 3.598 1.00 0.00 C ATOM 251 CE2 TYR A 23 2.043 4.649 2.467 1.00 0.00 C ATOM 252 CZ TYR A 23 3.087 4.638 3.382 1.00 0.00 C ATOM 253 OH TYR A 23 3.326 3.570 4.167 1.00 0.00 O ATOM 0 H TYR A 23 4.035 9.967 1.489 1.00 0.00 H new ATOM 0 HA TYR A 23 4.142 7.411 0.327 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.196 9.071 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.431 8.071 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.176 7.808 3.082 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.912 5.863 1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.692 5.722 4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.475 3.751 2.274 1.00 0.00 H new ATOM 0 HH TYR A 23 3.609 2.813 3.612 1.00 0.00 H new ATOM 260 N LEU A 24 2.368 9.557 -1.451 1.00 0.00 N ATOM 261 CA LEU A 24 1.824 9.832 -2.788 1.00 0.00 C ATOM 262 C LEU A 24 2.927 10.152 -3.802 1.00 0.00 C ATOM 263 O LEU A 24 3.110 9.375 -4.735 1.00 0.00 O ATOM 264 CB LEU A 24 0.754 10.934 -2.715 1.00 0.00 C ATOM 265 CG LEU A 24 -0.272 10.747 -1.584 1.00 0.00 C ATOM 266 CD1 LEU A 24 -1.359 11.816 -1.693 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.866 9.336 -1.501 1.00 0.00 C ATOM 0 H LEU A 24 2.092 10.236 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 24 1.340 8.925 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.249 11.896 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.225 10.974 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 24 0.267 10.871 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.084 11.681 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.907 12.804 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.862 11.726 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.579 9.289 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.374 9.100 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.067 8.614 -1.330 1.00 0.00 H new ATOM 269 N ASN A 25 3.872 11.002 -3.399 1.00 0.00 N ATOM 270 CA ASN A 25 5.006 11.389 -4.259 1.00 0.00 C ATOM 271 C ASN A 25 5.945 10.227 -4.656 1.00 0.00 C ATOM 272 O ASN A 25 6.680 10.343 -5.635 1.00 0.00 O ATOM 273 CB ASN A 25 5.785 12.526 -3.589 1.00 0.00 C ATOM 274 CG ASN A 25 6.197 13.584 -4.614 1.00 0.00 C ATOM 275 OD1 ASN A 25 7.127 13.436 -5.389 1.00 0.00 O ATOM 276 ND2 ASN A 25 5.475 14.683 -4.659 1.00 0.00 N ATOM 0 H ASN A 25 3.880 11.441 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 25 4.577 11.725 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.172 12.985 -2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.672 12.125 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.694 15.409 -5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.697 14.809 -4.012 1.00 0.00 H new ATOM 280 N ILE A 26 5.946 9.137 -3.880 1.00 0.00 N ATOM 281 CA ILE A 26 6.781 7.952 -4.168 1.00 0.00 C ATOM 282 C ILE A 26 5.984 6.688 -4.590 1.00 0.00 C ATOM 283 O ILE A 26 6.512 5.879 -5.348 1.00 0.00 O ATOM 284 CB ILE A 26 7.825 7.765 -3.032 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.866 8.893 -3.023 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.623 6.458 -3.096 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.485 10.167 -2.264 1.00 0.00 C ATOM 0 H ILE A 26 5.375 9.046 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 26 7.348 8.137 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 26 7.208 7.762 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.789 8.503 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.085 9.164 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.325 6.419 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.940 5.611 -3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.173 6.413 -4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.300 10.888 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.584 10.596 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.299 9.925 -1.218 1.00 0.00 H new ATOM 289 N ILE A 27 4.719 6.545 -4.180 1.00 0.00 N ATOM 290 CA ILE A 27 3.863 5.383 -4.533 1.00 0.00 C ATOM 291 C ILE A 27 2.719 5.659 -5.526 1.00 0.00 C ATOM 292 O ILE A 27 2.315 4.731 -6.221 1.00 0.00 O ATOM 293 CB ILE A 27 3.355 4.667 -3.255 1.00 0.00 C ATOM 294 CG1 ILE A 27 3.251 3.137 -3.419 1.00 0.00 C ATOM 295 CG2 ILE A 27 2.104 5.285 -2.601 1.00 0.00 C ATOM 296 CD1 ILE A 27 2.117 2.489 -4.222 1.00 0.00 C ATOM 0 H ILE A 27 4.248 7.231 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 27 4.523 4.717 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 27 4.146 4.852 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.187 2.803 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.209 2.714 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.834 4.709 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.315 6.315 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.277 5.269 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.235 1.405 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.158 2.755 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.150 2.845 -5.252 1.00 0.00 H new ATOM 298 N GLU A 28 2.193 6.885 -5.570 1.00 0.00 N ATOM 299 CA GLU A 28 0.947 7.214 -6.302 1.00 0.00 C ATOM 300 C GLU A 28 1.057 6.846 -7.792 1.00 0.00 C ATOM 301 O GLU A 28 1.676 7.538 -8.599 1.00 0.00 O ATOM 302 CB GLU A 28 0.587 8.693 -6.157 1.00 0.00 C ATOM 303 CG GLU A 28 -0.863 8.964 -6.551 1.00 0.00 C ATOM 304 CD GLU A 28 -1.083 10.447 -6.852 1.00 0.00 C ATOM 305 OE1 GLU A 28 -1.309 11.205 -5.883 1.00 0.00 O ATOM 306 OE2 GLU A 28 -1.039 10.783 -8.053 1.00 0.00 O ATOM 0 H GLU A 28 2.613 7.687 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 28 0.151 6.619 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.748 9.007 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.251 9.292 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.122 8.369 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.527 8.651 -5.745 1.00 0.00 H new ATOM 308 N GLY A 29 0.441 5.700 -8.077 1.00 0.00 N ATOM 309 CA GLY A 29 0.567 5.018 -9.375 1.00 0.00 C ATOM 310 C GLY A 29 1.219 3.643 -9.183 1.00 0.00 C ATOM 311 O GLY A 29 1.070 3.020 -8.131 1.00 0.00 O ATOM 0 H GLY A 29 -0.163 5.212 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.416 4.903 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.166 5.622 -10.056 1.00 0.00 H new ATOM 313 N GLU A 30 2.013 3.261 -10.180 1.00 0.00 N ATOM 314 CA GLU A 30 2.511 1.877 -10.329 1.00 0.00 C ATOM 315 C GLU A 30 4.028 1.672 -10.429 1.00 0.00 C ATOM 316 O GLU A 30 4.700 2.235 -11.294 1.00 0.00 O ATOM 317 CB GLU A 30 1.804 1.144 -11.483 1.00 0.00 C ATOM 318 CG GLU A 30 1.800 1.903 -12.815 1.00 0.00 C ATOM 319 CD GLU A 30 1.132 1.084 -13.920 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.112 1.160 -14.013 1.00 0.00 O ATOM 321 OE2 GLU A 30 1.888 0.405 -14.652 1.00 0.00 O ATOM 0 H GLU A 30 2.335 3.894 -10.912 1.00 0.00 H new ATOM 0 HA GLU A 30 2.251 1.437 -9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.287 0.178 -11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.773 0.944 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.275 2.851 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.824 2.140 -13.104 1.00 0.00 H new ATOM 323 N TRP A 31 4.494 0.719 -9.624 1.00 0.00 N ATOM 324 CA TRP A 31 5.883 0.214 -9.652 1.00 0.00 C ATOM 325 C TRP A 31 6.042 -0.789 -10.795 1.00 0.00 C ATOM 326 O TRP A 31 5.261 -1.732 -10.894 1.00 0.00 O ATOM 327 CB TRP A 31 6.239 -0.520 -8.352 1.00 0.00 C ATOM 328 CG TRP A 31 5.983 0.334 -7.116 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.810 0.470 -6.509 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.852 1.254 -6.551 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.894 1.439 -5.600 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.114 1.950 -5.613 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.185 1.550 -6.762 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.704 2.984 -4.898 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.786 2.558 -6.014 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.038 3.290 -5.108 1.00 0.00 C ATOM 0 H TRP A 31 3.915 0.263 -8.919 1.00 0.00 H new ATOM 0 HA TRP A 31 6.539 1.075 -9.781 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.655 -1.438 -8.284 1.00 0.00 H new ATOM 0 HB3 TRP A 31 7.289 -0.812 -8.378 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.926 -0.114 -6.720 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.135 1.741 -4.988 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.755 1.005 -7.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.125 3.547 -4.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.838 2.769 -6.141 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.496 4.102 -4.563 1.00 0.00 H new ATOM 344 N HIS A 32 7.151 -0.654 -11.521 1.00 0.00 N ATOM 345 CA HIS A 32 7.512 -1.445 -12.719 1.00 0.00 C ATOM 346 C HIS A 32 6.494 -1.265 -13.871 1.00 0.00 C ATOM 347 O HIS A 32 5.614 -2.106 -14.085 1.00 0.00 O ATOM 348 CB HIS A 32 7.689 -2.948 -12.409 1.00 0.00 C ATOM 349 CG HIS A 32 8.554 -3.299 -11.195 1.00 0.00 C ATOM 350 ND1 HIS A 32 8.282 -4.273 -10.331 1.00 0.00 N ATOM 351 CD2 HIS A 32 9.703 -2.740 -10.825 1.00 0.00 C ATOM 352 CE1 HIS A 32 9.254 -4.313 -9.426 1.00 0.00 C ATOM 353 NE2 HIS A 32 10.125 -3.358 -9.726 1.00 0.00 N ATOM 0 H HIS A 32 7.862 0.039 -11.287 1.00 0.00 H new ATOM 0 HA HIS A 32 8.475 -1.051 -13.044 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.701 -3.384 -12.261 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.122 -3.428 -13.286 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.205 -1.927 -11.329 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.323 -5.000 -8.595 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.972 -3.136 -9.203 1.00 0.00 H new ATOM 356 N PRO A 33 6.624 -0.179 -14.652 1.00 0.00 N ATOM 357 CA PRO A 33 5.720 0.088 -15.789 1.00 0.00 C ATOM 358 C PRO A 33 5.877 -0.986 -16.873 1.00 0.00 C ATOM 359 O PRO A 33 6.987 -1.432 -17.168 1.00 0.00 O ATOM 360 CB PRO A 33 6.116 1.483 -16.283 1.00 0.00 C ATOM 361 CG PRO A 33 7.592 1.599 -15.902 1.00 0.00 C ATOM 362 CD PRO A 33 7.683 0.848 -14.573 1.00 0.00 C ATOM 0 HA PRO A 33 4.667 0.056 -15.508 1.00 0.00 H new ATOM 0 HB2 PRO A 33 5.971 1.582 -17.359 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.518 2.260 -15.808 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.237 1.153 -16.659 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.898 2.640 -15.796 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.665 0.395 -14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.524 1.517 -13.728 1.00 0.00 H new ATOM 363 N GLN A 34 4.734 -1.433 -17.390 1.00 0.00 N ATOM 364 CA GLN A 34 4.630 -2.481 -18.434 1.00 0.00 C ATOM 365 C GLN A 34 5.268 -3.832 -18.044 1.00 0.00 C ATOM 366 O GLN A 34 5.965 -4.491 -18.820 1.00 0.00 O ATOM 367 CB GLN A 34 5.193 -1.978 -19.776 1.00 0.00 C ATOM 368 CG GLN A 34 4.468 -0.744 -20.324 1.00 0.00 C ATOM 369 CD GLN A 34 5.141 -0.162 -21.573 1.00 0.00 C ATOM 370 OE1 GLN A 34 6.457 -0.095 -21.594 1.00 0.00 O flip ATOM 371 NE2 GLN A 34 4.497 0.234 -22.533 1.00 0.00 N flip ATOM 0 H GLN A 34 3.826 -1.075 -17.095 1.00 0.00 H new ATOM 0 HA GLN A 34 3.564 -2.680 -18.541 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.250 -1.742 -19.651 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.130 -2.781 -20.510 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.438 -1.010 -20.563 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.428 0.021 -19.549 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.478 0.183 -22.520 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.978 0.615 -23.348 1.00 0.00 H new ATOM 375 N ASP A 35 4.894 -4.312 -16.862 1.00 0.00 N ATOM 376 CA ASP A 35 5.402 -5.594 -16.337 1.00 0.00 C ATOM 377 C ASP A 35 4.349 -6.689 -16.574 1.00 0.00 C ATOM 378 O ASP A 35 3.228 -6.561 -16.083 1.00 0.00 O ATOM 379 CB ASP A 35 5.740 -5.423 -14.850 1.00 0.00 C ATOM 380 CG ASP A 35 6.819 -6.405 -14.383 1.00 0.00 C ATOM 381 OD1 ASP A 35 6.669 -7.608 -14.693 1.00 0.00 O ATOM 382 OD2 ASP A 35 7.830 -5.915 -13.839 1.00 0.00 O ATOM 0 H ASP A 35 4.239 -3.837 -16.241 1.00 0.00 H new ATOM 0 HA ASP A 35 6.313 -5.896 -16.854 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.079 -4.402 -14.672 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.838 -5.568 -14.256 1.00 0.00 H new ATOM 384 N LEU A 36 4.608 -7.443 -17.646 1.00 0.00 N ATOM 385 CA LEU A 36 3.791 -8.583 -18.126 1.00 0.00 C ATOM 386 C LEU A 36 2.292 -8.254 -18.260 1.00 0.00 C ATOM 387 O LEU A 36 1.490 -8.495 -17.361 1.00 0.00 O ATOM 388 CB LEU A 36 4.009 -9.832 -17.254 1.00 0.00 C ATOM 389 CG LEU A 36 5.416 -10.415 -17.395 1.00 0.00 C ATOM 390 CD1 LEU A 36 6.084 -10.517 -16.022 1.00 0.00 C ATOM 391 CD2 LEU A 36 5.352 -11.798 -18.048 1.00 0.00 C ATOM 0 H LEU A 36 5.425 -7.276 -18.234 1.00 0.00 H new ATOM 0 HA LEU A 36 4.143 -8.798 -19.135 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.830 -9.576 -16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.277 -10.592 -17.526 1.00 0.00 H new ATOM 0 HG LEU A 36 6.007 -9.753 -18.028 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.085 -10.933 -16.134 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.152 -9.525 -15.576 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.492 -11.166 -15.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.360 -12.203 -18.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.750 -12.465 -17.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.901 -11.713 -19.036 1.00 0.00 H new ATOM 393 N ASN A 37 1.935 -7.726 -19.434 1.00 0.00 N ATOM 394 CA ASN A 37 0.588 -7.184 -19.757 1.00 0.00 C ATOM 395 C ASN A 37 0.164 -5.986 -18.883 1.00 0.00 C ATOM 396 O ASN A 37 -1.010 -5.633 -18.793 1.00 0.00 O ATOM 397 CB ASN A 37 -0.499 -8.271 -19.705 1.00 0.00 C ATOM 398 CG ASN A 37 -0.203 -9.439 -20.643 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.554 -9.456 -21.813 1.00 0.00 O ATOM 400 ND2 ASN A 37 0.488 -10.432 -20.131 1.00 0.00 N ATOM 0 H ASN A 37 2.585 -7.656 -20.217 1.00 0.00 H new ATOM 0 HA ASN A 37 0.683 -6.816 -20.779 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.588 -8.643 -18.684 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.461 -7.832 -19.969 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.739 -11.232 -20.712 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.774 -10.403 -19.152 1.00 0.00 H new ATOM 404 N ASP A 38 1.169 -5.298 -18.335 1.00 0.00 N ATOM 405 CA ASP A 38 1.013 -4.101 -17.478 1.00 0.00 C ATOM 406 C ASP A 38 0.143 -4.417 -16.246 1.00 0.00 C ATOM 407 O ASP A 38 -0.831 -3.728 -15.942 1.00 0.00 O ATOM 408 CB ASP A 38 0.435 -2.910 -18.274 1.00 0.00 C ATOM 409 CG ASP A 38 1.286 -2.390 -19.439 1.00 0.00 C ATOM 410 OD1 ASP A 38 1.977 -3.205 -20.093 1.00 0.00 O ATOM 411 OD2 ASP A 38 1.283 -1.153 -19.609 1.00 0.00 O ATOM 0 H ASP A 38 2.145 -5.559 -18.474 1.00 0.00 H new ATOM 0 HA ASP A 38 2.004 -3.812 -17.128 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.539 -3.202 -18.666 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.265 -2.086 -17.581 1.00 0.00 H new ATOM 413 N SER A 39 0.591 -5.410 -15.477 1.00 0.00 N ATOM 414 CA SER A 39 -0.139 -5.857 -14.272 1.00 0.00 C ATOM 415 C SER A 39 0.601 -5.636 -12.927 1.00 0.00 C ATOM 416 O SER A 39 0.484 -6.466 -12.017 1.00 0.00 O ATOM 417 CB SER A 39 -0.542 -7.319 -14.510 1.00 0.00 C ATOM 418 OG SER A 39 0.601 -8.179 -14.548 1.00 0.00 O ATOM 0 H SER A 39 1.453 -5.924 -15.660 1.00 0.00 H new ATOM 0 HA SER A 39 -1.019 -5.227 -14.144 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.217 -7.645 -13.719 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.090 -7.398 -15.449 1.00 0.00 H new ATOM 0 HG SER A 39 0.320 -9.086 -14.791 1.00 0.00 H new ATOM 421 N PRO A 40 1.199 -4.450 -12.706 1.00 0.00 N ATOM 422 CA PRO A 40 2.110 -4.184 -11.579 1.00 0.00 C ATOM 423 C PRO A 40 1.316 -3.766 -10.321 1.00 0.00 C ATOM 424 O PRO A 40 0.159 -4.158 -10.168 1.00 0.00 O ATOM 425 CB PRO A 40 2.999 -3.059 -12.127 1.00 0.00 C ATOM 426 CG PRO A 40 2.399 -2.619 -13.463 1.00 0.00 C ATOM 427 CD PRO A 40 0.982 -3.173 -13.406 1.00 0.00 C ATOM 0 HA PRO A 40 2.691 -5.048 -11.256 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.037 -2.223 -11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.023 -3.408 -12.261 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.403 -1.534 -13.569 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.956 -3.024 -14.308 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.305 -2.515 -12.861 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.556 -3.316 -14.399 1.00 0.00 H new ATOM 428 N LEU A 41 1.911 -2.914 -9.485 1.00 0.00 N ATOM 429 CA LEU A 41 1.298 -2.388 -8.246 1.00 0.00 C ATOM 430 C LEU A 41 1.009 -0.879 -8.337 1.00 0.00 C ATOM 431 O LEU A 41 1.932 -0.068 -8.259 1.00 0.00 O ATOM 432 CB LEU A 41 2.204 -2.780 -7.059 1.00 0.00 C ATOM 433 CG LEU A 41 2.198 -1.882 -5.807 1.00 0.00 C ATOM 434 CD1 LEU A 41 0.837 -1.767 -5.124 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.229 -2.388 -4.806 1.00 0.00 C ATOM 0 H LEU A 41 2.853 -2.557 -9.646 1.00 0.00 H new ATOM 0 HA LEU A 41 0.316 -2.836 -8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.926 -3.787 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.229 -2.832 -7.426 1.00 0.00 H new ATOM 0 HG LEU A 41 2.449 -0.880 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.921 -1.118 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.114 -1.346 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.503 -2.756 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.222 -1.750 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.985 -3.410 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.219 -2.366 -5.261 1.00 0.00 H new ATOM 437 N LYS A 42 -0.278 -0.557 -8.460 1.00 0.00 N ATOM 438 CA LYS A 42 -0.789 0.827 -8.484 1.00 0.00 C ATOM 439 C LYS A 42 -1.725 1.191 -7.322 1.00 0.00 C ATOM 440 O LYS A 42 -2.651 0.460 -6.970 1.00 0.00 O ATOM 441 CB LYS A 42 -1.426 1.232 -9.825 1.00 0.00 C ATOM 442 CG LYS A 42 -2.541 0.337 -10.373 1.00 0.00 C ATOM 443 CD LYS A 42 -2.042 -0.429 -11.603 1.00 0.00 C ATOM 444 CE LYS A 42 -3.189 -1.038 -12.413 1.00 0.00 C ATOM 445 NZ LYS A 42 -4.020 -0.009 -13.063 1.00 0.00 N ATOM 0 H LYS A 42 -1.014 -1.258 -8.548 1.00 0.00 H new ATOM 0 HA LYS A 42 0.120 1.414 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.825 2.240 -9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.635 1.281 -10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.866 -0.365 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.407 0.943 -10.639 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.468 0.245 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.364 -1.221 -11.285 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.781 -1.706 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.813 -1.645 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.014 -0.141 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.700 0.935 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.933 -0.094 -14.096 1.00 0.00 H new ATOM 450 N PHE A 43 -1.408 2.331 -6.713 1.00 0.00 N ATOM 451 CA PHE A 43 -2.207 2.908 -5.613 1.00 0.00 C ATOM 452 C PHE A 43 -2.706 4.330 -5.929 1.00 0.00 C ATOM 453 O PHE A 43 -1.922 5.227 -6.243 1.00 0.00 O ATOM 454 CB PHE A 43 -1.362 2.885 -4.336 1.00 0.00 C ATOM 455 CG PHE A 43 -2.154 3.144 -3.054 1.00 0.00 C ATOM 456 CD1 PHE A 43 -2.445 4.445 -2.669 1.00 0.00 C ATOM 457 CD2 PHE A 43 -2.573 2.077 -2.271 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.148 4.674 -1.497 1.00 0.00 C ATOM 459 CE2 PHE A 43 -3.314 2.302 -1.118 1.00 0.00 C ATOM 460 CZ PHE A 43 -3.585 3.603 -0.723 1.00 0.00 C ATOM 0 H PHE A 43 -0.591 2.888 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.104 2.304 -5.477 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.871 1.915 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.575 3.635 -4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.125 5.276 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.322 1.067 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.357 5.686 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.676 1.469 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.136 3.786 0.187 1.00 0.00 H new ATOM 467 N ILE A 44 -4.009 4.509 -5.711 1.00 0.00 N ATOM 468 CA ILE A 44 -4.760 5.760 -5.978 1.00 0.00 C ATOM 469 C ILE A 44 -5.361 6.352 -4.676 1.00 0.00 C ATOM 470 O ILE A 44 -5.156 5.838 -3.574 1.00 0.00 O ATOM 471 CB ILE A 44 -5.868 5.581 -7.054 1.00 0.00 C ATOM 472 CG1 ILE A 44 -5.699 4.401 -8.025 1.00 0.00 C ATOM 473 CG2 ILE A 44 -5.971 6.848 -7.910 1.00 0.00 C ATOM 474 CD1 ILE A 44 -6.341 3.121 -7.488 1.00 0.00 C ATOM 0 H ILE A 44 -4.600 3.770 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.033 6.466 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.762 5.375 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.146 4.655 -8.986 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.638 4.227 -8.203 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.749 6.717 -8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.221 7.697 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.017 7.032 -8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.198 2.313 -8.206 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.876 2.851 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.408 3.285 -7.335 1.00 0.00 H new ATOM 476 N LEU A 45 -6.201 7.379 -4.827 1.00 0.00 N ATOM 477 CA LEU A 45 -6.765 8.177 -3.719 1.00 0.00 C ATOM 478 C LEU A 45 -8.299 8.109 -3.685 1.00 0.00 C ATOM 479 O LEU A 45 -8.976 8.493 -4.637 1.00 0.00 O ATOM 480 CB LEU A 45 -6.338 9.656 -3.801 1.00 0.00 C ATOM 481 CG LEU A 45 -4.851 10.010 -3.619 1.00 0.00 C ATOM 482 CD1 LEU A 45 -4.253 9.412 -2.348 1.00 0.00 C ATOM 483 CD2 LEU A 45 -4.012 9.672 -4.849 1.00 0.00 C ATOM 0 H LEU A 45 -6.520 7.692 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.367 7.738 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.651 10.036 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.903 10.205 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.819 11.093 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.203 9.694 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.794 9.788 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.335 8.326 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.972 9.942 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.079 8.603 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.385 10.229 -5.708 1.00 0.00 H new ATOM 485 N SER A 46 -8.797 7.699 -2.519 1.00 0.00 N ATOM 486 CA SER A 46 -10.221 7.409 -2.218 1.00 0.00 C ATOM 487 C SER A 46 -10.728 6.211 -3.027 1.00 0.00 C ATOM 488 O SER A 46 -9.984 5.585 -3.778 1.00 0.00 O ATOM 489 CB SER A 46 -11.209 8.585 -2.373 1.00 0.00 C ATOM 490 OG SER A 46 -11.709 8.744 -3.704 1.00 0.00 O ATOM 0 H SER A 46 -8.196 7.549 -1.708 1.00 0.00 H new ATOM 0 HA SER A 46 -10.206 7.184 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.049 8.434 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.714 9.507 -2.068 1.00 0.00 H new ATOM 0 HG SER A 46 -10.964 8.706 -4.340 1.00 0.00 H new ATOM 493 N THR A 47 -11.875 5.706 -2.597 1.00 0.00 N ATOM 494 CA THR A 47 -12.623 4.712 -3.394 1.00 0.00 C ATOM 495 C THR A 47 -14.092 5.151 -3.529 1.00 0.00 C ATOM 496 O THR A 47 -15.014 4.340 -3.464 1.00 0.00 O ATOM 497 CB THR A 47 -12.491 3.298 -2.800 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.223 3.161 -2.141 1.00 0.00 O ATOM 499 CG2 THR A 47 -12.597 2.244 -3.907 1.00 0.00 C ATOM 0 H THR A 47 -12.315 5.957 -1.711 1.00 0.00 H new ATOM 0 HA THR A 47 -12.191 4.665 -4.393 1.00 0.00 H new ATOM 0 HB THR A 47 -13.297 3.148 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.142 3.843 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.502 1.249 -3.472 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.564 2.333 -4.402 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.801 2.400 -4.635 1.00 0.00 H new ATOM 502 N SER A 48 -14.279 6.466 -3.686 1.00 0.00 N ATOM 503 CA SER A 48 -15.591 7.144 -3.788 1.00 0.00 C ATOM 504 C SER A 48 -16.478 6.967 -2.539 1.00 0.00 C ATOM 505 O SER A 48 -16.292 7.694 -1.564 1.00 0.00 O ATOM 506 CB SER A 48 -16.304 6.769 -5.101 1.00 0.00 C ATOM 507 OG SER A 48 -17.572 7.421 -5.198 1.00 0.00 O ATOM 0 H SER A 48 -13.497 7.118 -3.749 1.00 0.00 H new ATOM 0 HA SER A 48 -15.392 8.215 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.681 7.049 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 48 -16.442 5.689 -5.149 1.00 0.00 H new ATOM 0 HG SER A 48 -18.006 7.169 -6.040 1.00 0.00 H new ATOM 510 N ASP A 49 -17.178 5.834 -2.461 1.00 0.00 N ATOM 511 CA ASP A 49 -18.202 5.539 -1.439 1.00 0.00 C ATOM 512 C ASP A 49 -17.559 5.155 -0.091 1.00 0.00 C ATOM 513 O ASP A 49 -17.290 3.987 0.176 1.00 0.00 O ATOM 514 CB ASP A 49 -19.098 4.429 -2.006 1.00 0.00 C ATOM 515 CG ASP A 49 -20.381 4.179 -1.203 1.00 0.00 C ATOM 516 OD1 ASP A 49 -20.911 5.167 -0.649 1.00 0.00 O ATOM 517 OD2 ASP A 49 -20.840 3.019 -1.222 1.00 0.00 O ATOM 0 H ASP A 49 -17.049 5.069 -3.124 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.804 6.422 -1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.369 4.685 -3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.525 3.503 -2.050 1.00 0.00 H new ATOM 519 N ASP A 50 -17.223 6.190 0.680 1.00 0.00 N ATOM 520 CA ASP A 50 -16.484 6.119 1.963 1.00 0.00 C ATOM 521 C ASP A 50 -15.153 5.336 1.908 1.00 0.00 C ATOM 522 O ASP A 50 -14.562 5.031 2.945 1.00 0.00 O ATOM 523 CB ASP A 50 -17.384 5.579 3.083 1.00 0.00 C ATOM 524 CG ASP A 50 -17.467 6.588 4.231 1.00 0.00 C ATOM 525 OD1 ASP A 50 -16.542 6.582 5.073 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.442 7.370 4.220 1.00 0.00 O ATOM 0 H ASP A 50 -17.464 7.148 0.425 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.200 7.149 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.382 5.379 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.990 4.631 3.450 1.00 0.00 H new ATOM 528 N SER A 51 -14.575 5.302 0.706 1.00 0.00 N ATOM 529 CA SER A 51 -13.357 4.541 0.332 1.00 0.00 C ATOM 530 C SER A 51 -13.406 3.027 0.645 1.00 0.00 C ATOM 531 O SER A 51 -14.459 2.490 0.972 1.00 0.00 O ATOM 532 CB SER A 51 -12.108 5.187 0.945 1.00 0.00 C ATOM 533 OG SER A 51 -12.014 4.886 2.340 1.00 0.00 O ATOM 0 H SER A 51 -14.955 5.828 -0.081 1.00 0.00 H new ATOM 0 HA SER A 51 -13.308 4.598 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.217 4.828 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.145 6.267 0.803 1.00 0.00 H new ATOM 0 HG SER A 51 -12.914 4.774 2.712 1.00 0.00 H new ATOM 536 N ASP A 52 -12.294 2.339 0.370 1.00 0.00 N ATOM 537 CA ASP A 52 -12.116 0.902 0.672 1.00 0.00 C ATOM 538 C ASP A 52 -11.127 0.579 1.806 1.00 0.00 C ATOM 539 O ASP A 52 -11.418 -0.264 2.656 1.00 0.00 O ATOM 540 CB ASP A 52 -11.681 0.166 -0.600 1.00 0.00 C ATOM 541 CG ASP A 52 -12.821 -0.322 -1.502 1.00 0.00 C ATOM 542 OD1 ASP A 52 -13.967 0.145 -1.345 1.00 0.00 O ATOM 543 OD2 ASP A 52 -12.479 -1.128 -2.394 1.00 0.00 O ATOM 0 H ASP A 52 -11.479 2.762 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.088 0.563 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.039 0.829 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.075 -0.693 -0.313 1.00 0.00 H new ATOM 545 N TYR A 53 -9.910 1.117 1.713 1.00 0.00 N ATOM 546 CA TYR A 53 -8.872 0.941 2.749 1.00 0.00 C ATOM 547 C TYR A 53 -9.052 1.912 3.922 1.00 0.00 C ATOM 548 O TYR A 53 -9.001 3.123 3.729 1.00 0.00 O ATOM 549 CB TYR A 53 -7.477 1.125 2.138 1.00 0.00 C ATOM 550 CG TYR A 53 -6.707 -0.187 1.955 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.728 -1.165 2.940 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.990 -0.411 0.787 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.083 -2.377 2.740 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.334 -1.619 0.589 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.423 -2.625 1.546 1.00 0.00 C ATOM 556 OH TYR A 53 -5.258 -3.914 1.155 1.00 0.00 O ATOM 0 H TYR A 53 -9.609 1.687 0.922 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.976 -0.072 3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.576 1.616 1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.896 1.791 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.250 -0.981 3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.942 0.357 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.095 -3.129 3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.754 -1.778 -0.308 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.780 -3.938 0.300 1.00 0.00 H new ATOM 563 N ILE A 54 -9.110 1.358 5.129 1.00 0.00 N ATOM 564 CA ILE A 54 -9.256 2.151 6.370 1.00 0.00 C ATOM 565 C ILE A 54 -7.974 2.134 7.221 1.00 0.00 C ATOM 566 O ILE A 54 -7.588 1.107 7.784 1.00 0.00 O ATOM 567 CB ILE A 54 -10.551 1.799 7.146 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.644 2.593 8.463 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.744 0.286 7.339 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.014 2.558 9.151 1.00 0.00 C ATOM 0 H ILE A 54 -9.058 0.352 5.287 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.386 3.194 6.080 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.391 2.112 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.897 2.205 9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.383 3.632 8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.667 0.104 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.799 -0.201 6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.902 -0.120 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.976 3.146 10.068 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.767 2.976 8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.274 1.527 9.391 1.00 0.00 H new ATOM 572 N CYS A 55 -7.309 3.293 7.197 1.00 0.00 N ATOM 573 CA CYS A 55 -6.016 3.560 7.861 1.00 0.00 C ATOM 574 C CYS A 55 -6.117 3.365 9.380 1.00 0.00 C ATOM 575 O CYS A 55 -6.803 4.110 10.075 1.00 0.00 O ATOM 576 CB CYS A 55 -5.512 4.971 7.518 1.00 0.00 C ATOM 577 SG CYS A 55 -3.685 5.070 7.431 1.00 0.00 S ATOM 0 H CYS A 55 -7.665 4.107 6.696 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.291 2.838 7.486 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.934 5.280 6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.874 5.674 8.268 1.00 0.00 H new ATOM 579 N LYS A 56 -5.574 2.227 9.805 1.00 0.00 N ATOM 580 CA LYS A 56 -5.585 1.762 11.205 1.00 0.00 C ATOM 581 C LYS A 56 -4.719 2.675 12.090 1.00 0.00 C ATOM 582 O LYS A 56 -5.225 3.426 12.921 1.00 0.00 O ATOM 583 CB LYS A 56 -5.094 0.306 11.242 1.00 0.00 C ATOM 584 CG LYS A 56 -6.059 -0.624 11.977 1.00 0.00 C ATOM 585 CD LYS A 56 -6.113 -0.376 13.486 1.00 0.00 C ATOM 586 CE LYS A 56 -7.415 -0.915 14.081 1.00 0.00 C ATOM 587 NZ LYS A 56 -8.557 -0.074 13.687 1.00 0.00 N ATOM 0 H LYS A 56 -5.100 1.580 9.175 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.599 1.806 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.956 -0.053 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.119 0.268 11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.059 -0.501 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.764 -1.658 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.262 -0.856 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.032 0.692 13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.578 -1.939 13.744 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.338 -0.946 15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.342 -0.220 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.273 0.926 13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.864 -0.333 12.728 1.00 0.00 H new ATOM 592 N TYR A 57 -3.411 2.573 11.881 1.00 0.00 N ATOM 593 CA TYR A 57 -2.396 3.379 12.576 1.00 0.00 C ATOM 594 C TYR A 57 -1.246 3.742 11.634 1.00 0.00 C ATOM 595 O TYR A 57 -0.955 3.047 10.656 1.00 0.00 O ATOM 596 CB TYR A 57 -1.866 2.680 13.840 1.00 0.00 C ATOM 597 CG TYR A 57 -1.278 1.292 13.583 1.00 0.00 C ATOM 598 CD1 TYR A 57 0.007 1.143 13.071 1.00 0.00 C ATOM 599 CD2 TYR A 57 -2.050 0.175 13.867 1.00 0.00 C ATOM 600 CE1 TYR A 57 0.521 -0.125 12.849 1.00 0.00 C ATOM 601 CE2 TYR A 57 -1.539 -1.095 13.645 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.253 -1.243 13.137 1.00 0.00 C ATOM 603 OH TYR A 57 0.155 -2.454 12.684 1.00 0.00 O ATOM 0 H TYR A 57 -3.011 1.916 11.211 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.884 4.299 12.897 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.101 3.308 14.297 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.678 2.591 14.561 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.604 2.015 12.847 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.049 0.294 14.261 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.519 -0.244 12.454 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.138 -1.966 13.866 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.486 -3.141 12.963 1.00 0.00 H new ATOM 610 N ILE A 58 -0.503 4.734 12.103 1.00 0.00 N ATOM 611 CA ILE A 58 0.624 5.318 11.360 1.00 0.00 C ATOM 612 C ILE A 58 1.910 4.801 12.031 1.00 0.00 C ATOM 613 O ILE A 58 2.022 4.774 13.257 1.00 0.00 O ATOM 614 CB ILE A 58 0.511 6.868 11.262 1.00 0.00 C ATOM 615 CG1 ILE A 58 1.364 7.674 12.246 1.00 0.00 C ATOM 616 CG2 ILE A 58 -0.931 7.393 11.310 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.686 8.069 11.584 1.00 0.00 C ATOM 0 H ILE A 58 -0.659 5.165 13.014 1.00 0.00 H new ATOM 0 HA ILE A 58 0.628 5.006 10.316 1.00 0.00 H new ATOM 0 HB ILE A 58 0.928 7.039 10.270 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.824 8.567 12.563 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.557 7.084 13.142 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.925 8.480 11.236 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.498 6.976 10.478 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.395 7.096 12.250 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.289 8.642 12.289 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.228 7.170 11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.484 8.676 10.702 1.00 0.00 H new ATOM 619 N ASN A 59 2.836 4.329 11.211 1.00 0.00 N ATOM 620 CA ASN A 59 4.094 3.759 11.711 1.00 0.00 C ATOM 621 C ASN A 59 5.284 4.619 11.258 1.00 0.00 C ATOM 622 O ASN A 59 6.038 4.269 10.350 1.00 0.00 O ATOM 623 CB ASN A 59 4.192 2.310 11.221 1.00 0.00 C ATOM 624 CG ASN A 59 4.833 1.425 12.286 1.00 0.00 C ATOM 625 OD1 ASN A 59 6.038 1.410 12.493 1.00 0.00 O ATOM 626 ND2 ASN A 59 3.992 0.814 13.093 1.00 0.00 N ATOM 0 H ASN A 59 2.747 4.326 10.195 1.00 0.00 H new ATOM 0 HA ASN A 59 4.115 3.756 12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.198 1.934 10.979 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.780 2.269 10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.342 0.315 13.911 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.991 0.840 12.901 1.00 0.00 H new ATOM 630 N THR A 60 5.484 5.708 12.000 1.00 0.00 N ATOM 631 CA THR A 60 6.601 6.664 11.790 1.00 0.00 C ATOM 632 C THR A 60 7.974 5.971 11.802 1.00 0.00 C ATOM 633 O THR A 60 8.820 6.305 10.977 1.00 0.00 O ATOM 634 CB THR A 60 6.638 7.757 12.871 1.00 0.00 C ATOM 635 OG1 THR A 60 5.313 8.132 13.248 1.00 0.00 O ATOM 636 CG2 THR A 60 7.382 9.004 12.378 1.00 0.00 C ATOM 0 H THR A 60 4.874 5.965 12.776 1.00 0.00 H new ATOM 0 HA THR A 60 6.412 7.105 10.811 1.00 0.00 H new ATOM 0 HB THR A 60 7.166 7.344 13.731 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.353 8.827 13.938 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.390 9.758 13.165 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.407 8.738 12.120 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.878 9.404 11.498 1.00 0.00 H new ATOM 639 N GLU A 61 8.067 4.886 12.575 1.00 0.00 N ATOM 640 CA GLU A 61 9.302 4.122 12.845 1.00 0.00 C ATOM 641 C GLU A 61 10.096 3.835 11.556 1.00 0.00 C ATOM 642 O GLU A 61 11.146 4.432 11.341 1.00 0.00 O ATOM 643 CB GLU A 61 8.919 2.822 13.565 1.00 0.00 C ATOM 644 CG GLU A 61 9.853 2.463 14.731 1.00 0.00 C ATOM 645 CD GLU A 61 11.249 1.939 14.362 1.00 0.00 C ATOM 646 OE1 GLU A 61 11.858 2.465 13.407 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.678 0.994 15.054 1.00 0.00 O ATOM 0 H GLU A 61 7.255 4.495 13.052 1.00 0.00 H new ATOM 0 HA GLU A 61 9.959 4.717 13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.900 2.912 13.942 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.921 2.004 12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.976 3.349 15.353 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.358 1.710 15.344 1.00 0.00 H new ATOM 649 N HIS A 62 9.480 3.085 10.645 1.00 0.00 N ATOM 650 CA HIS A 62 10.073 2.846 9.316 1.00 0.00 C ATOM 651 C HIS A 62 9.258 3.556 8.215 1.00 0.00 C ATOM 652 O HIS A 62 9.184 3.103 7.078 1.00 0.00 O ATOM 653 CB HIS A 62 10.185 1.327 9.129 1.00 0.00 C ATOM 654 CG HIS A 62 11.271 0.874 8.141 1.00 0.00 C ATOM 655 ND1 HIS A 62 11.313 -0.327 7.572 1.00 0.00 N ATOM 656 CD2 HIS A 62 12.401 1.505 7.824 1.00 0.00 C ATOM 657 CE1 HIS A 62 12.463 -0.440 6.915 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.136 0.695 7.066 1.00 0.00 N ATOM 0 H HIS A 62 8.578 2.632 10.793 1.00 0.00 H new ATOM 0 HA HIS A 62 11.072 3.275 9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 62 10.383 0.870 10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.222 0.946 8.788 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.674 2.504 8.130 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.792 -1.304 6.356 1.00 0.00 H new ATOM 0 HE2 HIS A 62 14.052 0.908 6.672 1.00 0.00 H new ATOM 661 N LYS A 63 8.655 4.683 8.602 1.00 0.00 N ATOM 662 CA LYS A 63 7.821 5.577 7.765 1.00 0.00 C ATOM 663 C LYS A 63 6.733 4.860 6.927 1.00 0.00 C ATOM 664 O LYS A 63 6.419 5.268 5.810 1.00 0.00 O ATOM 665 CB LYS A 63 8.754 6.468 6.925 1.00 0.00 C ATOM 666 CG LYS A 63 9.667 7.366 7.766 1.00 0.00 C ATOM 667 CD LYS A 63 9.347 8.854 7.595 1.00 0.00 C ATOM 668 CE LYS A 63 10.239 9.570 6.571 1.00 0.00 C ATOM 669 NZ LYS A 63 10.043 9.124 5.183 1.00 0.00 N ATOM 0 H LYS A 63 8.734 5.023 9.560 1.00 0.00 H new ATOM 0 HA LYS A 63 7.225 6.200 8.432 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.370 5.834 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.150 7.093 6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.569 7.095 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.705 7.187 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.306 8.959 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.448 9.350 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.048 10.642 6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.283 9.417 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.403 9.850 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.558 8.234 5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.029 8.972 5.007 1.00 0.00 H new ATOM 674 N GLN A 64 5.970 4.015 7.616 1.00 0.00 N ATOM 675 CA GLN A 64 4.990 3.062 7.034 1.00 0.00 C ATOM 676 C GLN A 64 3.561 3.307 7.548 1.00 0.00 C ATOM 677 O GLN A 64 3.368 3.958 8.570 1.00 0.00 O ATOM 678 CB GLN A 64 5.326 1.621 7.446 1.00 0.00 C ATOM 679 CG GLN A 64 6.783 1.237 7.190 1.00 0.00 C ATOM 680 CD GLN A 64 7.119 -0.231 7.450 1.00 0.00 C ATOM 681 OE1 GLN A 64 8.100 -0.721 6.724 1.00 0.00 O flip ATOM 682 NE2 GLN A 64 6.598 -0.908 8.321 1.00 0.00 N flip ATOM 0 H GLN A 64 6.008 3.962 8.634 1.00 0.00 H new ATOM 0 HA GLN A 64 5.045 3.211 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.106 1.494 8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.677 0.935 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.029 1.472 6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.422 1.857 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.838 -0.522 8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.923 -1.860 8.490 1.00 0.00 H new ATOM 686 N LEU A 65 2.568 2.854 6.790 1.00 0.00 N ATOM 687 CA LEU A 65 1.174 2.727 7.272 1.00 0.00 C ATOM 688 C LEU A 65 0.654 1.285 7.319 1.00 0.00 C ATOM 689 O LEU A 65 1.065 0.430 6.530 1.00 0.00 O ATOM 690 CB LEU A 65 0.160 3.614 6.522 1.00 0.00 C ATOM 691 CG LEU A 65 0.234 3.696 4.989 1.00 0.00 C ATOM 692 CD1 LEU A 65 0.044 2.360 4.266 1.00 0.00 C ATOM 693 CD2 LEU A 65 -0.796 4.710 4.488 1.00 0.00 C ATOM 0 H LEU A 65 2.695 2.561 5.821 1.00 0.00 H new ATOM 0 HA LEU A 65 1.246 3.093 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.839 3.267 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.258 4.627 6.911 1.00 0.00 H new ATOM 0 HG LEU A 65 1.250 4.012 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.112 2.516 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.820 1.662 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.935 1.949 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.747 4.771 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.795 4.393 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.581 5.689 4.917 1.00 0.00 H new ATOM 695 N THR A 66 -0.280 1.084 8.244 1.00 0.00 N ATOM 696 CA THR A 66 -1.053 -0.168 8.366 1.00 0.00 C ATOM 697 C THR A 66 -2.547 0.154 8.207 1.00 0.00 C ATOM 698 O THR A 66 -3.082 1.028 8.892 1.00 0.00 O ATOM 699 CB THR A 66 -0.805 -0.828 9.732 1.00 0.00 C ATOM 700 OG1 THR A 66 0.586 -1.086 9.934 1.00 0.00 O ATOM 701 CG2 THR A 66 -1.554 -2.153 9.884 1.00 0.00 C ATOM 0 H THR A 66 -0.531 1.786 8.940 1.00 0.00 H new ATOM 0 HA THR A 66 -0.735 -0.863 7.589 1.00 0.00 H new ATOM 0 HB THR A 66 -1.174 -0.121 10.474 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.827 -0.875 10.860 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.345 -2.578 10.866 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.625 -1.979 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.226 -2.847 9.111 1.00 0.00 H new ATOM 704 N LEU A 67 -3.176 -0.546 7.267 1.00 0.00 N ATOM 705 CA LEU A 67 -4.634 -0.478 7.022 1.00 0.00 C ATOM 706 C LEU A 67 -5.274 -1.769 6.508 1.00 0.00 C ATOM 707 O LEU A 67 -4.674 -2.503 5.726 1.00 0.00 O ATOM 708 CB LEU A 67 -5.110 0.674 6.115 1.00 0.00 C ATOM 709 CG LEU A 67 -4.321 1.213 4.916 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.271 2.188 5.422 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.688 0.140 4.037 1.00 0.00 C ATOM 0 H LEU A 67 -2.691 -1.188 6.640 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.979 -0.287 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.082 0.371 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.281 1.526 6.773 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.037 1.714 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.702 2.580 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.760 3.011 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.597 1.674 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.151 0.613 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.993 -0.453 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.467 -0.508 3.636 1.00 0.00 H new ATOM 713 N TYR A 68 -6.561 -1.893 6.815 1.00 0.00 N ATOM 714 CA TYR A 68 -7.391 -3.044 6.420 1.00 0.00 C ATOM 715 C TYR A 68 -8.506 -2.629 5.451 1.00 0.00 C ATOM 716 O TYR A 68 -9.015 -1.512 5.517 1.00 0.00 O ATOM 717 CB TYR A 68 -7.941 -3.779 7.655 1.00 0.00 C ATOM 718 CG TYR A 68 -8.754 -2.920 8.632 1.00 0.00 C ATOM 719 CD1 TYR A 68 -8.168 -1.852 9.304 1.00 0.00 C ATOM 720 CD2 TYR A 68 -10.092 -3.216 8.845 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.929 -1.049 10.141 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.846 -2.441 9.716 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.265 -1.353 10.356 1.00 0.00 C ATOM 724 OH TYR A 68 -11.030 -0.540 11.129 1.00 0.00 O ATOM 0 H TYR A 68 -7.071 -1.192 7.352 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.754 -3.747 5.883 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.569 -4.603 7.315 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.103 -4.219 8.197 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.116 -1.647 9.173 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.548 -4.050 8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.483 -0.191 10.623 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.883 -2.684 9.896 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.942 -0.896 11.176 1.00 0.00 H new ATOM 731 N ASN A 69 -8.600 -3.399 4.374 1.00 0.00 N ATOM 732 CA ASN A 69 -9.599 -3.179 3.309 1.00 0.00 C ATOM 733 C ASN A 69 -10.973 -3.727 3.711 1.00 0.00 C ATOM 734 O ASN A 69 -11.172 -4.941 3.799 1.00 0.00 O ATOM 735 CB ASN A 69 -9.127 -3.855 2.021 1.00 0.00 C ATOM 736 CG ASN A 69 -9.110 -2.957 0.786 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.062 -2.270 0.446 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.064 -3.108 0.008 1.00 0.00 N ATOM 0 H ASN A 69 -7.989 -4.198 4.204 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.700 -2.105 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.122 -4.245 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.772 -4.710 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.034 -2.647 -0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.281 -3.686 0.313 1.00 0.00 H new ATOM 742 N LYS A 70 -11.912 -2.794 3.825 1.00 0.00 N ATOM 743 CA LYS A 70 -13.327 -3.075 4.146 1.00 0.00 C ATOM 744 C LYS A 70 -14.169 -3.607 2.966 1.00 0.00 C ATOM 745 O LYS A 70 -15.385 -3.751 3.080 1.00 0.00 O ATOM 746 CB LYS A 70 -13.965 -1.800 4.704 1.00 0.00 C ATOM 747 CG LYS A 70 -14.144 -1.851 6.222 1.00 0.00 C ATOM 748 CD LYS A 70 -15.611 -1.567 6.552 1.00 0.00 C ATOM 749 CE LYS A 70 -15.848 -1.353 8.048 1.00 0.00 C ATOM 750 NZ LYS A 70 -17.275 -1.096 8.301 1.00 0.00 N ATOM 0 H LYS A 70 -11.719 -1.801 3.697 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.322 -3.881 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.344 -0.943 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.935 -1.646 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.853 -2.829 6.604 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.499 -1.116 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.937 -0.682 6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.225 -2.399 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.524 -2.232 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.251 -0.513 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.426 -0.952 9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.572 -0.244 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.837 -1.910 7.979 1.00 0.00 H new ATOM 755 N ASN A 71 -13.494 -3.968 1.873 1.00 0.00 N ATOM 756 CA ASN A 71 -14.145 -4.531 0.670 1.00 0.00 C ATOM 757 C ASN A 71 -13.915 -6.043 0.470 1.00 0.00 C ATOM 758 O ASN A 71 -14.771 -6.735 -0.071 1.00 0.00 O ATOM 759 CB ASN A 71 -13.756 -3.698 -0.566 1.00 0.00 C ATOM 760 CG ASN A 71 -12.775 -4.322 -1.571 1.00 0.00 C ATOM 761 OD1 ASN A 71 -13.115 -5.167 -2.383 1.00 0.00 O ATOM 762 ND2 ASN A 71 -11.508 -3.976 -1.518 1.00 0.00 N ATOM 0 H ASN A 71 -12.481 -3.882 1.789 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.222 -4.456 0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -14.671 -3.448 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.325 -2.760 -0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.834 -4.412 -2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.199 -3.272 -0.848 1.00 0.00 H new ATOM 766 N ASN A 72 -12.768 -6.526 0.945 1.00 0.00 N ATOM 767 CA ASN A 72 -12.342 -7.925 0.756 1.00 0.00 C ATOM 768 C ASN A 72 -12.878 -8.826 1.888 1.00 0.00 C ATOM 769 O ASN A 72 -13.999 -9.319 1.812 1.00 0.00 O ATOM 770 CB ASN A 72 -10.813 -7.952 0.638 1.00 0.00 C ATOM 771 CG ASN A 72 -10.319 -8.393 -0.739 1.00 0.00 C ATOM 772 OD1 ASN A 72 -10.036 -9.552 -0.991 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.129 -7.444 -1.627 1.00 0.00 N ATOM 0 H ASN A 72 -12.102 -5.963 1.474 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.764 -8.331 -0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.422 -6.958 0.855 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.409 -8.626 1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.740 -7.672 -2.542 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.371 -6.479 -1.402 1.00 0.00 H new ATOM 777 N SER A 73 -12.076 -8.987 2.943 1.00 0.00 N ATOM 778 CA SER A 73 -12.406 -9.739 4.171 1.00 0.00 C ATOM 779 C SER A 73 -11.254 -9.541 5.169 1.00 0.00 C ATOM 780 O SER A 73 -10.191 -10.142 5.034 1.00 0.00 O ATOM 781 CB SER A 73 -12.591 -11.235 3.867 1.00 0.00 C ATOM 782 OG SER A 73 -13.130 -11.924 4.997 1.00 0.00 O ATOM 0 H SER A 73 -11.140 -8.584 2.973 1.00 0.00 H new ATOM 0 HA SER A 73 -13.343 -9.371 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.255 -11.357 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.633 -11.675 3.591 1.00 0.00 H new ATOM 0 HG SER A 73 -13.240 -12.873 4.779 1.00 0.00 H new ATOM 785 N SER A 74 -11.355 -8.402 5.855 1.00 0.00 N ATOM 786 CA SER A 74 -10.440 -7.975 6.941 1.00 0.00 C ATOM 787 C SER A 74 -8.926 -8.059 6.641 1.00 0.00 C ATOM 788 O SER A 74 -8.118 -8.411 7.505 1.00 0.00 O ATOM 789 CB SER A 74 -10.804 -8.738 8.220 1.00 0.00 C ATOM 790 OG SER A 74 -12.127 -8.383 8.628 1.00 0.00 O ATOM 0 H SER A 74 -12.094 -7.723 5.673 1.00 0.00 H new ATOM 0 HA SER A 74 -10.600 -6.903 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.742 -9.812 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.093 -8.502 9.011 1.00 0.00 H new ATOM 0 HG SER A 74 -12.360 -8.872 9.445 1.00 0.00 H new ATOM 793 N ILE A 75 -8.548 -7.453 5.516 1.00 0.00 N ATOM 794 CA ILE A 75 -7.180 -7.566 4.962 1.00 0.00 C ATOM 795 C ILE A 75 -6.321 -6.324 5.260 1.00 0.00 C ATOM 796 O ILE A 75 -6.449 -5.267 4.645 1.00 0.00 O ATOM 797 CB ILE A 75 -7.223 -7.985 3.475 1.00 0.00 C ATOM 798 CG1 ILE A 75 -5.839 -8.327 2.924 1.00 0.00 C ATOM 799 CG2 ILE A 75 -7.919 -6.992 2.545 1.00 0.00 C ATOM 800 CD1 ILE A 75 -5.693 -9.845 2.849 1.00 0.00 C ATOM 0 H ILE A 75 -9.171 -6.870 4.958 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.661 -8.372 5.481 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.839 -8.884 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.709 -7.887 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.064 -7.906 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.898 -7.374 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.953 -6.860 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.402 -6.033 2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.708 -10.097 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.806 -10.271 3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.461 -10.252 2.191 1.00 0.00 H new ATOM 802 N VAL A 76 -5.394 -6.548 6.181 1.00 0.00 N ATOM 803 CA VAL A 76 -4.566 -5.506 6.819 1.00 0.00 C ATOM 804 C VAL A 76 -3.165 -5.539 6.189 1.00 0.00 C ATOM 805 O VAL A 76 -2.437 -6.520 6.314 1.00 0.00 O ATOM 806 CB VAL A 76 -4.420 -5.710 8.345 1.00 0.00 C ATOM 807 CG1 VAL A 76 -4.176 -4.360 9.017 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.587 -6.419 9.045 1.00 0.00 C ATOM 0 H VAL A 76 -5.183 -7.485 6.523 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.062 -4.549 6.658 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.572 -6.385 8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.073 -4.502 10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.263 -3.916 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.018 -3.697 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.374 -6.506 10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.501 -5.842 8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.717 -7.414 8.619 1.00 0.00 H new ATOM 810 N ILE A 77 -2.840 -4.502 5.430 1.00 0.00 N ATOM 811 CA ILE A 77 -1.527 -4.405 4.759 1.00 0.00 C ATOM 812 C ILE A 77 -0.682 -3.265 5.345 1.00 0.00 C ATOM 813 O ILE A 77 -1.207 -2.211 5.717 1.00 0.00 O ATOM 814 CB ILE A 77 -1.653 -4.331 3.220 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.369 -3.082 2.704 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.320 -5.590 2.651 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.391 -2.013 2.212 1.00 0.00 C ATOM 0 H ILE A 77 -3.459 -3.710 5.256 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.991 -5.332 4.963 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.626 -4.266 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.039 -3.360 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.988 -2.666 3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.393 -5.505 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.723 -6.465 2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.319 -5.696 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.948 -1.146 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.738 -1.713 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.789 -2.417 1.398 1.00 0.00 H new ATOM 819 N GLU A 78 0.600 -3.574 5.527 1.00 0.00 N ATOM 820 CA GLU A 78 1.589 -2.626 6.083 1.00 0.00 C ATOM 821 C GLU A 78 2.719 -2.441 5.065 1.00 0.00 C ATOM 822 O GLU A 78 3.480 -3.370 4.786 1.00 0.00 O ATOM 823 CB GLU A 78 2.216 -3.084 7.409 1.00 0.00 C ATOM 824 CG GLU A 78 1.297 -3.911 8.315 1.00 0.00 C ATOM 825 CD GLU A 78 1.850 -4.132 9.727 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.086 -4.086 9.914 1.00 0.00 O ATOM 827 OE2 GLU A 78 1.002 -4.352 10.617 1.00 0.00 O ATOM 0 H GLU A 78 0.992 -4.487 5.296 1.00 0.00 H new ATOM 0 HA GLU A 78 1.050 -1.700 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.106 -3.673 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.546 -2.203 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.331 -3.412 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.121 -4.880 7.849 1.00 0.00 H new ATOM 829 N ILE A 79 2.689 -1.287 4.415 1.00 0.00 N ATOM 830 CA ILE A 79 3.646 -0.977 3.328 1.00 0.00 C ATOM 831 C ILE A 79 4.499 0.249 3.689 1.00 0.00 C ATOM 832 O ILE A 79 4.015 1.105 4.419 1.00 0.00 O ATOM 833 CB ILE A 79 2.956 -0.825 1.950 1.00 0.00 C ATOM 834 CG1 ILE A 79 2.038 0.403 1.828 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.188 -2.112 1.627 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.548 0.695 0.400 1.00 0.00 C ATOM 0 H ILE A 79 2.020 -0.542 4.610 1.00 0.00 H new ATOM 0 HA ILE A 79 4.314 -1.832 3.230 1.00 0.00 H new ATOM 0 HB ILE A 79 3.749 -0.656 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.171 0.258 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.571 1.277 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.700 -2.011 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.882 -2.952 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.435 -2.289 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.907 1.577 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.405 0.875 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.984 -0.160 0.027 1.00 0.00 H new ATOM 838 N PHE A 80 5.745 0.287 3.225 1.00 0.00 N ATOM 839 CA PHE A 80 6.626 1.471 3.369 1.00 0.00 C ATOM 840 C PHE A 80 6.855 2.089 1.990 1.00 0.00 C ATOM 841 O PHE A 80 7.162 1.366 1.048 1.00 0.00 O ATOM 842 CB PHE A 80 8.009 1.148 3.963 1.00 0.00 C ATOM 843 CG PHE A 80 8.940 2.357 4.226 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.492 3.675 4.158 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.292 2.139 4.477 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.374 4.743 4.235 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.167 3.209 4.641 1.00 0.00 C ATOM 848 CZ PHE A 80 10.712 4.516 4.505 1.00 0.00 C ATOM 0 H PHE A 80 6.184 -0.494 2.737 1.00 0.00 H new ATOM 0 HA PHE A 80 6.117 2.147 4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.862 0.618 4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.520 0.463 3.287 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.436 3.869 4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.666 1.128 4.545 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.017 5.751 4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.205 3.023 4.875 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.396 5.345 4.609 1.00 0.00 H new ATOM 855 N ILE A 81 6.705 3.408 1.948 1.00 0.00 N ATOM 856 CA ILE A 81 6.966 4.228 0.746 1.00 0.00 C ATOM 857 C ILE A 81 8.132 5.204 1.049 1.00 0.00 C ATOM 858 O ILE A 81 7.891 6.259 1.636 1.00 0.00 O ATOM 859 CB ILE A 81 5.668 4.956 0.347 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.410 4.067 0.324 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.832 5.668 -0.993 1.00 0.00 C ATOM 862 CD1 ILE A 81 4.526 2.679 -0.315 1.00 0.00 C ATOM 0 H ILE A 81 6.396 3.955 2.751 1.00 0.00 H new ATOM 0 HA ILE A 81 7.267 3.610 -0.100 1.00 0.00 H new ATOM 0 HB ILE A 81 5.501 5.685 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.075 3.935 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.625 4.612 -0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.902 6.174 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.636 6.401 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.075 4.938 -1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.564 2.170 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.820 2.783 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.277 2.095 0.217 1.00 0.00 H new ATOM 864 N PRO A 82 9.382 4.757 0.840 1.00 0.00 N ATOM 865 CA PRO A 82 10.594 5.566 1.077 1.00 0.00 C ATOM 866 C PRO A 82 10.880 6.541 -0.080 1.00 0.00 C ATOM 867 O PRO A 82 10.406 7.675 -0.062 1.00 0.00 O ATOM 868 CB PRO A 82 11.745 4.566 1.289 1.00 0.00 C ATOM 869 CG PRO A 82 11.121 3.171 1.260 1.00 0.00 C ATOM 870 CD PRO A 82 9.762 3.357 0.596 1.00 0.00 C ATOM 0 HA PRO A 82 10.467 6.204 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.498 4.670 0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.246 4.747 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.742 2.473 0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.016 2.765 2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.817 3.148 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.025 2.673 1.017 1.00 0.00 H new ATOM 871 N ASN A 83 11.670 6.057 -1.043 1.00 0.00 N ATOM 872 CA ASN A 83 12.275 6.745 -2.202 1.00 0.00 C ATOM 873 C ASN A 83 13.333 5.795 -2.796 1.00 0.00 C ATOM 874 O ASN A 83 13.221 4.582 -2.610 1.00 0.00 O ATOM 875 CB ASN A 83 12.928 8.067 -1.768 1.00 0.00 C ATOM 876 CG ASN A 83 12.257 9.234 -2.487 1.00 0.00 C ATOM 877 OD1 ASN A 83 12.160 9.281 -3.705 1.00 0.00 O ATOM 878 ND2 ASN A 83 11.726 10.154 -1.718 1.00 0.00 N ATOM 0 H ASN A 83 11.933 5.071 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 83 11.512 6.986 -2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.837 8.192 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.993 8.050 -1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.216 10.934 -2.133 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.822 10.090 -0.705 1.00 0.00 H new ATOM 882 N ASP A 84 14.284 6.338 -3.566 1.00 0.00 N ATOM 883 CA ASP A 84 15.492 5.637 -4.065 1.00 0.00 C ATOM 884 C ASP A 84 15.226 4.276 -4.731 1.00 0.00 C ATOM 885 O ASP A 84 16.027 3.344 -4.649 1.00 0.00 O ATOM 886 CB ASP A 84 16.540 5.495 -2.947 1.00 0.00 C ATOM 887 CG ASP A 84 17.248 6.805 -2.586 1.00 0.00 C ATOM 888 OD1 ASP A 84 16.548 7.835 -2.465 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.477 6.735 -2.370 1.00 0.00 O ATOM 0 H ASP A 84 14.240 7.309 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 84 15.879 6.274 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.054 5.099 -2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 84 17.287 4.763 -3.254 1.00 0.00 H new ATOM 891 N ASN A 85 14.066 4.199 -5.381 1.00 0.00 N ATOM 892 CA ASN A 85 13.567 2.998 -6.073 1.00 0.00 C ATOM 893 C ASN A 85 13.544 1.789 -5.114 1.00 0.00 C ATOM 894 O ASN A 85 14.347 0.869 -5.235 1.00 0.00 O ATOM 895 CB ASN A 85 14.420 2.732 -7.337 1.00 0.00 C ATOM 896 CG ASN A 85 14.935 4.014 -8.011 1.00 0.00 C ATOM 897 OD1 ASN A 85 14.067 4.776 -8.639 1.00 0.00 O flip ATOM 898 ND2 ASN A 85 16.103 4.361 -7.946 1.00 0.00 N flip ATOM 0 H ASN A 85 13.425 4.989 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 85 12.539 3.162 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.271 2.107 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.825 2.168 -8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.783 3.776 -7.461 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.400 5.237 -8.377 1.00 0.00 H new ATOM 902 N LYS A 86 12.686 1.877 -4.090 1.00 0.00 N ATOM 903 CA LYS A 86 12.450 0.793 -3.105 1.00 0.00 C ATOM 904 C LYS A 86 11.179 1.065 -2.282 1.00 0.00 C ATOM 905 O LYS A 86 10.949 2.214 -1.910 1.00 0.00 O ATOM 906 CB LYS A 86 13.639 0.704 -2.129 1.00 0.00 C ATOM 907 CG LYS A 86 13.553 -0.530 -1.218 1.00 0.00 C ATOM 908 CD LYS A 86 13.811 -0.189 0.253 1.00 0.00 C ATOM 909 CE LYS A 86 15.288 -0.288 0.643 1.00 0.00 C ATOM 910 NZ LYS A 86 15.484 0.147 2.034 1.00 0.00 N ATOM 0 H LYS A 86 12.125 2.710 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 86 12.335 -0.139 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.570 0.671 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.671 1.604 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.566 -0.982 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.278 -1.273 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.456 0.822 0.453 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.229 -0.862 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.633 -1.315 0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.889 0.329 -0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.491 0.073 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.173 1.134 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.926 -0.459 2.669 1.00 0.00 H new ATOM 915 N ILE A 87 10.319 0.046 -2.184 1.00 0.00 N ATOM 916 CA ILE A 87 9.202 -0.053 -1.208 1.00 0.00 C ATOM 917 C ILE A 87 9.007 -1.500 -0.714 1.00 0.00 C ATOM 918 O ILE A 87 9.313 -2.453 -1.428 1.00 0.00 O ATOM 919 CB ILE A 87 7.822 0.473 -1.676 1.00 0.00 C ATOM 920 CG1 ILE A 87 7.136 -0.345 -2.773 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.878 1.955 -2.042 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.621 -0.409 -2.552 1.00 0.00 C ATOM 0 H ILE A 87 10.374 -0.766 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 87 9.534 0.612 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 87 7.182 0.345 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.346 0.099 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.547 -1.355 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.892 2.287 -2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.189 2.533 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.594 2.103 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.162 -0.997 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.413 -0.876 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.209 0.600 -2.562 1.00 0.00 H new ATOM 924 N LEU A 88 8.326 -1.629 0.424 1.00 0.00 N ATOM 925 CA LEU A 88 7.977 -2.944 1.008 1.00 0.00 C ATOM 926 C LEU A 88 6.463 -3.065 1.265 1.00 0.00 C ATOM 927 O LEU A 88 5.838 -2.087 1.667 1.00 0.00 O ATOM 928 CB LEU A 88 8.744 -3.129 2.325 1.00 0.00 C ATOM 929 CG LEU A 88 8.790 -4.590 2.792 1.00 0.00 C ATOM 930 CD1 LEU A 88 9.809 -5.398 1.983 1.00 0.00 C ATOM 931 CD2 LEU A 88 9.098 -4.663 4.287 1.00 0.00 C ATOM 0 H LEU A 88 7.997 -0.835 0.973 1.00 0.00 H new ATOM 0 HA LEU A 88 8.256 -3.721 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.762 -2.761 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.277 -2.520 3.099 1.00 0.00 H new ATOM 0 HG LEU A 88 7.808 -5.032 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.819 -6.429 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.534 -5.379 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.800 -4.962 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.127 -5.706 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.064 -4.198 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.323 -4.137 4.844 1.00 0.00 H new ATOM 933 N LEU A 89 5.913 -4.242 0.970 1.00 0.00 N ATOM 934 CA LEU A 89 4.514 -4.633 1.257 1.00 0.00 C ATOM 935 C LEU A 89 4.404 -5.908 2.104 1.00 0.00 C ATOM 936 O LEU A 89 5.120 -6.881 1.872 1.00 0.00 O ATOM 937 CB LEU A 89 3.740 -4.779 -0.067 1.00 0.00 C ATOM 938 CG LEU A 89 2.353 -5.442 -0.078 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.501 -4.830 -1.193 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.471 -6.944 -0.362 1.00 0.00 C ATOM 0 H LEU A 89 6.440 -4.983 0.508 1.00 0.00 H new ATOM 0 HA LEU A 89 4.069 -3.840 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.625 -3.780 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.374 -5.342 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 89 1.897 -5.282 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.518 -5.301 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.390 -3.760 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.988 -4.993 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.478 -7.393 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.940 -7.095 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.079 -7.414 0.411 1.00 0.00 H new ATOM 942 N THR A 90 3.451 -5.865 3.031 1.00 0.00 N ATOM 943 CA THR A 90 2.977 -7.043 3.794 1.00 0.00 C ATOM 944 C THR A 90 1.453 -7.199 3.655 1.00 0.00 C ATOM 945 O THR A 90 0.743 -6.220 3.433 1.00 0.00 O ATOM 946 CB THR A 90 3.315 -6.973 5.294 1.00 0.00 C ATOM 947 OG1 THR A 90 2.671 -5.850 5.898 1.00 0.00 O ATOM 948 CG2 THR A 90 4.826 -6.943 5.546 1.00 0.00 C ATOM 0 H THR A 90 2.971 -5.002 3.286 1.00 0.00 H new ATOM 0 HA THR A 90 3.499 -7.899 3.367 1.00 0.00 H new ATOM 0 HB THR A 90 2.937 -7.884 5.758 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.977 -5.026 5.466 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.015 -6.894 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.281 -7.846 5.139 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.259 -6.068 5.061 1.00 0.00 H new ATOM 951 N ILE A 91 1.000 -8.444 3.772 1.00 0.00 N ATOM 952 CA ILE A 91 -0.426 -8.848 3.727 1.00 0.00 C ATOM 953 C ILE A 91 -0.797 -9.661 4.986 1.00 0.00 C ATOM 954 O ILE A 91 -0.085 -10.581 5.382 1.00 0.00 O ATOM 955 CB ILE A 91 -0.853 -9.489 2.364 1.00 0.00 C ATOM 956 CG1 ILE A 91 -2.036 -10.473 2.489 1.00 0.00 C ATOM 957 CG2 ILE A 91 0.310 -10.047 1.523 1.00 0.00 C ATOM 958 CD1 ILE A 91 -2.617 -11.032 1.180 1.00 0.00 C ATOM 0 H ILE A 91 1.628 -9.237 3.906 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.036 -7.945 3.761 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.227 -8.645 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.714 -11.314 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.839 -9.972 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.081 -10.471 0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.007 -9.243 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.828 -10.823 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.440 -11.709 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.982 -10.210 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.841 -11.573 0.639 1.00 0.00 H new ATOM 960 N MET A 92 -1.798 -9.153 5.697 1.00 0.00 N ATOM 961 CA MET A 92 -2.421 -9.797 6.876 1.00 0.00 C ATOM 962 C MET A 92 -3.943 -9.905 6.725 1.00 0.00 C ATOM 963 O MET A 92 -4.554 -9.166 5.954 1.00 0.00 O ATOM 964 CB MET A 92 -2.146 -8.987 8.146 1.00 0.00 C ATOM 965 CG MET A 92 -0.860 -9.381 8.868 1.00 0.00 C ATOM 966 SD MET A 92 -0.594 -8.311 10.328 1.00 0.00 S ATOM 967 CE MET A 92 0.460 -9.351 11.313 1.00 0.00 C ATOM 0 H MET A 92 -2.221 -8.253 5.471 1.00 0.00 H new ATOM 0 HA MET A 92 -1.984 -10.793 6.949 1.00 0.00 H new ATOM 0 HB2 MET A 92 -2.095 -7.930 7.886 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.986 -9.107 8.830 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.915 -10.424 9.179 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.013 -9.296 8.188 1.00 0.00 H new ATOM 0 HE1 MET A 92 1.096 -8.731 11.944 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.152 -9.999 11.940 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.083 -9.961 10.659 1.00 0.00 H new ATOM 969 N ASN A 93 -4.535 -10.793 7.516 1.00 0.00 N ATOM 970 CA ASN A 93 -5.999 -10.951 7.579 1.00 0.00 C ATOM 971 C ASN A 93 -6.451 -11.152 9.033 1.00 0.00 C ATOM 972 O ASN A 93 -6.015 -12.084 9.704 1.00 0.00 O ATOM 973 CB ASN A 93 -6.417 -12.121 6.675 1.00 0.00 C ATOM 974 CG ASN A 93 -7.932 -12.347 6.588 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.749 -11.617 7.132 1.00 0.00 O ATOM 976 ND2 ASN A 93 -8.317 -13.490 6.071 1.00 0.00 N ATOM 0 H ASN A 93 -4.024 -11.425 8.132 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.490 -10.048 7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.030 -11.944 5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.947 -13.033 7.042 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.297 -13.769 6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.637 -14.099 5.617 1.00 0.00 H new ATOM 980 N THR A 94 -7.468 -10.378 9.400 1.00 0.00 N ATOM 981 CA THR A 94 -8.089 -10.413 10.748 1.00 0.00 C ATOM 982 C THR A 94 -9.032 -11.633 10.910 1.00 0.00 C ATOM 983 O THR A 94 -9.759 -11.767 11.892 1.00 0.00 O ATOM 984 CB THR A 94 -8.836 -9.098 11.058 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.153 -7.967 10.498 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.936 -8.859 12.569 1.00 0.00 C ATOM 0 H THR A 94 -7.899 -9.697 8.774 1.00 0.00 H new ATOM 0 HA THR A 94 -7.280 -10.519 11.471 1.00 0.00 H new ATOM 0 HB THR A 94 -9.829 -9.200 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.181 -8.020 9.520 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.467 -7.926 12.755 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.478 -9.683 13.033 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.934 -8.798 12.995 1.00 0.00 H new ATOM 989 N GLU A 95 -9.077 -12.475 9.879 1.00 0.00 N ATOM 990 CA GLU A 95 -9.778 -13.776 9.857 1.00 0.00 C ATOM 991 C GLU A 95 -8.819 -14.968 9.653 1.00 0.00 C ATOM 992 O GLU A 95 -9.220 -16.031 9.179 1.00 0.00 O ATOM 993 CB GLU A 95 -10.817 -13.735 8.728 1.00 0.00 C ATOM 994 CG GLU A 95 -12.045 -12.883 9.072 1.00 0.00 C ATOM 995 CD GLU A 95 -12.914 -13.515 10.166 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.174 -14.737 10.078 1.00 0.00 O ATOM 997 OE2 GLU A 95 -13.321 -12.748 11.065 1.00 0.00 O ATOM 0 H GLU A 95 -8.610 -12.269 8.996 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.254 -13.929 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.349 -13.340 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.139 -14.751 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.718 -11.896 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.646 -12.739 8.174 1.00 0.00 H new ATOM 999 N ALA A 96 -7.564 -14.792 10.073 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.465 -15.761 9.864 1.00 0.00 C ATOM 1001 C ALA A 96 -5.255 -15.416 10.761 1.00 0.00 C ATOM 1002 O ALA A 96 -5.417 -14.815 11.821 1.00 0.00 O ATOM 1003 CB ALA A 96 -6.099 -15.768 8.367 1.00 0.00 C ATOM 0 H ALA A 96 -7.269 -13.957 10.579 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.784 -16.763 10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.290 -16.477 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.970 -16.061 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.778 -14.771 8.066 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.079 -15.913 10.378 1.00 0.00 N ATOM 1006 CA LEU A 97 -2.786 -15.662 11.042 1.00 0.00 C ATOM 1007 C LEU A 97 -2.175 -14.314 10.589 1.00 0.00 C ATOM 1008 O LEU A 97 -2.840 -13.493 9.952 1.00 0.00 O ATOM 1009 CB LEU A 97 -1.880 -16.854 10.684 1.00 0.00 C ATOM 1010 CG LEU A 97 -2.423 -18.198 11.185 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -2.082 -19.297 10.176 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -1.826 -18.549 12.551 1.00 0.00 C ATOM 0 H LEU A 97 -3.990 -16.525 9.567 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.904 -15.581 12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.760 -16.899 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.889 -16.689 11.108 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.505 -18.119 11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.468 -20.252 10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.534 -19.060 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.000 -19.363 10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.225 -19.506 12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.741 -18.617 12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.086 -17.774 13.272 1.00 0.00 H new ATOM 1014 N GLY A 98 -0.860 -14.176 10.806 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.073 -12.987 10.424 1.00 0.00 C ATOM 1016 C GLY A 98 1.425 -13.309 10.499 1.00 0.00 C ATOM 1017 O GLY A 98 1.810 -14.308 11.105 1.00 0.00 O ATOM 0 H GLY A 98 -0.300 -14.898 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.337 -12.674 9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.309 -12.155 11.087 1.00 0.00 H new ATOM 1019 N THR A 99 2.223 -12.441 9.873 1.00 0.00 N ATOM 1020 CA THR A 99 3.694 -12.576 9.752 1.00 0.00 C ATOM 1021 C THR A 99 4.084 -13.793 8.894 1.00 0.00 C ATOM 1022 O THR A 99 4.032 -14.939 9.331 1.00 0.00 O ATOM 1023 CB THR A 99 4.381 -12.612 11.135 1.00 0.00 C ATOM 1024 OG1 THR A 99 3.992 -11.442 11.863 1.00 0.00 O ATOM 1025 CG2 THR A 99 5.912 -12.658 11.054 1.00 0.00 C ATOM 0 H THR A 99 1.864 -11.600 9.421 1.00 0.00 H new ATOM 0 HA THR A 99 4.056 -11.687 9.236 1.00 0.00 H new ATOM 0 HB THR A 99 4.063 -13.528 11.632 1.00 0.00 H new ATOM 0 HG1 THR A 99 4.418 -11.449 12.745 1.00 0.00 H new ATOM 0 HG21 THR A 99 6.329 -12.682 12.061 1.00 0.00 H new ATOM 0 HG22 THR A 99 6.221 -13.552 10.512 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.275 -11.773 10.531 1.00 0.00 H new ATOM 1028 N SER A 100 4.430 -13.470 7.648 1.00 0.00 N ATOM 1029 CA SER A 100 4.846 -14.432 6.597 1.00 0.00 C ATOM 1030 C SER A 100 5.201 -13.730 5.266 1.00 0.00 C ATOM 1031 O SER A 100 6.361 -13.826 4.865 1.00 0.00 O ATOM 1032 CB SER A 100 3.811 -15.549 6.356 1.00 0.00 C ATOM 1033 OG SER A 100 4.447 -16.821 6.270 1.00 0.00 O ATOM 0 H SER A 100 4.433 -12.504 7.320 1.00 0.00 H new ATOM 0 HA SER A 100 5.749 -14.904 6.984 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.082 -15.556 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.262 -15.349 5.436 1.00 0.00 H new ATOM 0 HG SER A 100 3.772 -17.515 6.119 1.00 0.00 H new ATOM 1036 N PRO A 101 4.316 -12.930 4.637 1.00 0.00 N ATOM 1037 CA PRO A 101 4.623 -12.272 3.352 1.00 0.00 C ATOM 1038 C PRO A 101 5.476 -11.003 3.510 1.00 0.00 C ATOM 1039 O PRO A 101 5.395 -10.296 4.514 1.00 0.00 O ATOM 1040 CB PRO A 101 3.255 -11.945 2.758 1.00 0.00 C ATOM 1041 CG PRO A 101 2.435 -11.603 3.998 1.00 0.00 C ATOM 1042 CD PRO A 101 2.929 -12.600 5.043 1.00 0.00 C ATOM 0 HA PRO A 101 5.223 -12.921 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.304 -11.109 2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.835 -12.791 2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.600 -10.574 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.366 -11.712 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.903 -12.168 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.302 -13.491 5.065 1.00 0.00 H new ATOM 1043 N ARG A 102 6.185 -10.708 2.425 1.00 0.00 N ATOM 1044 CA ARG A 102 7.037 -9.516 2.247 1.00 0.00 C ATOM 1045 C ARG A 102 7.363 -9.377 0.753 1.00 0.00 C ATOM 1046 O ARG A 102 7.616 -10.375 0.077 1.00 0.00 O ATOM 1047 CB ARG A 102 8.334 -9.615 3.072 1.00 0.00 C ATOM 1048 CG ARG A 102 9.170 -10.855 2.732 1.00 0.00 C ATOM 1049 CD ARG A 102 10.390 -11.032 3.635 1.00 0.00 C ATOM 1050 NE ARG A 102 11.049 -12.317 3.327 1.00 0.00 N ATOM 1051 CZ ARG A 102 10.576 -13.547 3.559 1.00 0.00 C ATOM 1052 NH1 ARG A 102 9.387 -13.768 4.106 1.00 0.00 N ATOM 1053 NH2 ARG A 102 11.309 -14.607 3.254 1.00 0.00 N ATOM 0 H ARG A 102 6.188 -11.314 1.604 1.00 0.00 H new ATOM 0 HA ARG A 102 6.500 -8.637 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.935 -8.721 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.083 -9.633 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.540 -11.741 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.501 -10.788 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.088 -10.208 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.087 -11.008 4.682 1.00 0.00 H new ATOM 0 HE ARG A 102 11.968 -12.261 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.792 -12.982 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.068 -14.724 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.234 -14.486 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.948 -15.545 3.431 1.00 0.00 H new ATOM 1060 N MET A 103 7.028 -8.216 0.210 1.00 0.00 N ATOM 1061 CA MET A 103 7.359 -7.917 -1.194 1.00 0.00 C ATOM 1062 C MET A 103 8.033 -6.549 -1.348 1.00 0.00 C ATOM 1063 O MET A 103 7.611 -5.565 -0.743 1.00 0.00 O ATOM 1064 CB MET A 103 6.093 -8.055 -2.043 1.00 0.00 C ATOM 1065 CG MET A 103 6.417 -8.377 -3.505 1.00 0.00 C ATOM 1066 SD MET A 103 7.279 -9.975 -3.736 1.00 0.00 S ATOM 1067 CE MET A 103 8.855 -9.390 -4.322 1.00 0.00 C ATOM 0 H MET A 103 6.535 -7.471 0.702 1.00 0.00 H new ATOM 0 HA MET A 103 8.095 -8.637 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.463 -8.842 -1.629 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.520 -7.129 -1.994 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.490 -8.388 -4.079 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.036 -7.579 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 103 9.253 -10.090 -5.056 1.00 0.00 H new ATOM 0 HE2 MET A 103 8.731 -8.411 -4.785 1.00 0.00 H new ATOM 0 HE3 MET A 103 9.548 -9.310 -3.484 1.00 0.00 H new ATOM 1069 N THR A 104 9.096 -6.538 -2.146 1.00 0.00 N ATOM 1070 CA THR A 104 9.979 -5.365 -2.308 1.00 0.00 C ATOM 1071 C THR A 104 9.934 -4.859 -3.759 1.00 0.00 C ATOM 1072 O THR A 104 10.627 -5.358 -4.646 1.00 0.00 O ATOM 1073 CB THR A 104 11.425 -5.705 -1.900 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.429 -6.586 -0.770 1.00 0.00 O ATOM 1075 CG2 THR A 104 12.200 -4.435 -1.539 1.00 0.00 C ATOM 0 H THR A 104 9.379 -7.342 -2.706 1.00 0.00 H new ATOM 0 HA THR A 104 9.619 -4.573 -1.651 1.00 0.00 H new ATOM 0 HB THR A 104 11.905 -6.192 -2.749 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.354 -6.796 -0.522 1.00 0.00 H new ATOM 0 HG21 THR A 104 13.218 -4.699 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.226 -3.767 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.708 -3.933 -0.705 1.00 0.00 H new ATOM 1078 N PHE A 105 9.162 -3.795 -3.945 1.00 0.00 N ATOM 1079 CA PHE A 105 8.874 -3.220 -5.278 1.00 0.00 C ATOM 1080 C PHE A 105 9.638 -1.903 -5.417 1.00 0.00 C ATOM 1081 O PHE A 105 9.426 -0.932 -4.697 1.00 0.00 O ATOM 1082 CB PHE A 105 7.389 -2.924 -5.515 1.00 0.00 C ATOM 1083 CG PHE A 105 6.455 -3.993 -4.957 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.203 -3.962 -3.597 1.00 0.00 C ATOM 1085 CD2 PHE A 105 5.776 -4.887 -5.778 1.00 0.00 C ATOM 1086 CE1 PHE A 105 5.262 -4.810 -3.050 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.791 -5.702 -5.231 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.518 -5.645 -3.871 1.00 0.00 C ATOM 0 H PHE A 105 8.710 -3.295 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 105 9.181 -3.966 -6.011 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.142 -1.965 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.214 -2.824 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.743 -3.274 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.011 -4.948 -6.830 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.104 -4.824 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.238 -6.380 -5.865 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.727 -6.250 -3.453 1.00 0.00 H new ATOM 1095 N ILE A 106 10.753 -2.063 -6.097 1.00 0.00 N ATOM 1096 CA ILE A 106 11.728 -0.988 -6.355 1.00 0.00 C ATOM 1097 C ILE A 106 11.400 -0.271 -7.680 1.00 0.00 C ATOM 1098 O ILE A 106 11.001 -0.930 -8.638 1.00 0.00 O ATOM 1099 CB ILE A 106 13.150 -1.597 -6.307 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.475 -2.661 -7.374 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.490 -2.092 -4.890 1.00 0.00 C ATOM 1102 CD1 ILE A 106 12.777 -4.029 -7.303 1.00 0.00 C ATOM 0 H ILE A 106 11.027 -2.959 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 106 11.676 -0.216 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 106 13.804 -0.766 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.251 -2.228 -8.349 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.550 -2.839 -7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.494 -2.515 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.444 -1.256 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.773 -2.856 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.119 -4.655 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.018 -4.512 -6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 106 11.698 -3.891 -7.376 1.00 0.00 H new ATOM 1104 N LYS A 107 11.378 1.066 -7.682 1.00 0.00 N ATOM 1105 CA LYS A 107 11.049 1.882 -8.882 1.00 0.00 C ATOM 1106 C LYS A 107 12.117 1.765 -9.984 1.00 0.00 C ATOM 1107 O LYS A 107 12.934 2.660 -10.176 1.00 0.00 O ATOM 1108 CB LYS A 107 10.824 3.357 -8.505 1.00 0.00 C ATOM 1109 CG LYS A 107 9.586 3.981 -9.160 1.00 0.00 C ATOM 1110 CD LYS A 107 9.718 4.176 -10.674 1.00 0.00 C ATOM 1111 CE LYS A 107 8.545 3.542 -11.427 1.00 0.00 C ATOM 1112 NZ LYS A 107 8.586 2.072 -11.370 1.00 0.00 N ATOM 0 H LYS A 107 11.587 1.625 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 107 10.121 1.479 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.729 3.435 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.704 3.934 -8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.722 3.348 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.388 4.947 -8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.765 5.241 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.653 3.735 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.606 3.896 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.564 3.866 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.775 1.682 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.470 1.732 -11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.542 1.762 -10.378 1.00 0.00 H new ATOM 1117 N HIS A 108 12.081 0.594 -10.614 1.00 0.00 N ATOM 1118 CA HIS A 108 12.920 0.055 -11.713 1.00 0.00 C ATOM 1119 C HIS A 108 13.790 -1.087 -11.170 1.00 0.00 C ATOM 1120 O HIS A 108 14.181 -1.088 -10.006 1.00 0.00 O ATOM 1121 CB HIS A 108 13.852 1.041 -12.442 1.00 0.00 C ATOM 1122 CG HIS A 108 13.130 2.245 -13.062 1.00 0.00 C ATOM 1123 ND1 HIS A 108 11.884 2.273 -13.526 1.00 0.00 N ATOM 1124 CD2 HIS A 108 13.613 3.484 -13.124 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.594 3.526 -13.863 1.00 0.00 C ATOM 1126 NE2 HIS A 108 12.662 4.275 -13.613 1.00 0.00 N ATOM 0 H HIS A 108 11.380 -0.095 -10.342 1.00 0.00 H new ATOM 0 HA HIS A 108 12.190 -0.257 -12.460 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.601 1.403 -11.738 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.385 0.506 -13.228 1.00 0.00 H new ATOM 0 HD2 HIS A 108 14.605 3.793 -12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.655 3.874 -14.269 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.739 5.280 -13.769 1.00 0.00 H new ATOM 1129 N LYS A 109 13.842 -2.160 -11.959 1.00 0.00 N ATOM 1130 CA LYS A 109 14.770 -3.304 -11.790 1.00 0.00 C ATOM 1131 C LYS A 109 14.727 -4.013 -10.415 1.00 0.00 C ATOM 1132 O LYS A 109 13.787 -4.824 -10.261 1.00 99.99 O ATOM 1133 CG LYS A 109 17.240 -3.876 -12.317 1.00 0.00 C ATOM 1134 CD LYS A 109 18.507 -3.218 -12.866 1.00 0.00 C ATOM 1135 CE LYS A 109 19.769 -4.022 -12.550 1.00 0.00 C ATOM 1136 NZ LYS A 109 20.000 -4.065 -11.098 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.575 -3.723 -9.540 1.00 99.99 O ATOM 0 H LYS A 109 13.224 -2.271 -12.763 1.00 0.00 H new ATOM 0 HD2 LYS A 109 18.414 -3.103 -13.946 1.00 0.00 H new ATOM 0 HD3 LYS A 109 18.604 -2.217 -12.446 1.00 0.00 H new ATOM 0 HE2 LYS A 109 19.669 -5.035 -12.939 1.00 0.00 H new ATOM 0 HE3 LYS A 109 20.628 -3.573 -13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 20.879 -4.585 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 20.082 -3.096 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 19.202 -4.545 -10.634 1.00 0.00 H new