USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 693 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 48 ASN : amide:sc= 0.299 K(o=1,f=-8.1!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 145:sc= 0.696 (180deg=-0.365) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 84 TYR OH : rot 99:sc= 2.06 USER MOD Set 3.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -129:sc= -0.338 (180deg=-0.895) USER MOD Single : A 2 SER OG : rot 52:sc= 1.29 USER MOD Single : A 3 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.1) USER MOD Single : A 8 LYS NZ :NH3+ 160:sc= 1.24 (180deg=1.1) USER MOD Single : A 13 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 17 THR OG1 : rot 110:sc= 0.804 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 57:sc= 0.968 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.73 K(o=-1.7,f=-4.6!) USER MOD Single : A 35 THR OG1 : rot 91:sc= 0.954 USER MOD Single : A 39 ASN : amide:sc= -0.072 K(o=-0.072,f=-2.2!) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.05) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= -0.0132 (180deg=-0.0578) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc=-0.00883 K(o=-0.0088,f=-0.81) USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.07) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 26:sc= 0.778 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0.791 (180deg=0.0485) USER MOD Single : A 73 TYR OH : rot 80:sc= -0.0125 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 83 LYS NZ :NH3+ -137:sc= 1.17 (180deg=1.12) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.009 11.446 -2.268 1.00 0.00 N ATOM 2 CA VAL A 1 -10.379 11.582 -0.936 1.00 0.00 C ATOM 3 C VAL A 1 -9.916 10.304 -0.326 1.00 0.00 C ATOM 4 O VAL A 1 -10.358 9.206 -0.659 1.00 0.00 O ATOM 5 CB VAL A 1 -11.243 12.367 0.007 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.551 13.754 -0.582 1.00 0.00 C ATOM 7 CG2 VAL A 1 -12.542 11.628 0.370 1.00 0.00 C ATOM 0 H1 VAL A 1 -10.565 12.113 -2.932 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.880 10.474 -2.615 1.00 0.00 H new ATOM 0 H3 VAL A 1 -12.025 11.655 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.465 12.147 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 1 -10.682 12.489 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -12.179 14.313 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.619 14.295 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.074 13.638 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -13.130 12.240 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.119 11.440 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.299 10.679 0.849 1.00 0.00 H new ATOM 19 N SER A 2 -8.964 10.382 0.621 1.00 0.00 N ATOM 20 CA SER A 2 -8.330 9.317 1.334 1.00 0.00 C ATOM 21 C SER A 2 -9.168 8.696 2.398 1.00 0.00 C ATOM 22 O SER A 2 -8.727 7.816 3.136 1.00 0.00 O ATOM 23 CB SER A 2 -7.039 9.815 2.006 1.00 0.00 C ATOM 24 OG SER A 2 -6.020 10.031 1.041 1.00 0.00 O ATOM 0 H SER A 2 -8.602 11.289 0.916 1.00 0.00 H new ATOM 0 HA SER A 2 -8.136 8.559 0.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.238 10.741 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.701 9.085 2.741 1.00 0.00 H new ATOM 0 HG SER A 2 -6.363 10.607 0.326 1.00 0.00 H new ATOM 30 N GLN A 3 -10.455 9.073 2.503 1.00 0.00 N ATOM 31 CA GLN A 3 -11.357 8.465 3.432 1.00 0.00 C ATOM 32 C GLN A 3 -11.697 7.076 3.015 1.00 0.00 C ATOM 33 O GLN A 3 -11.516 6.112 3.758 1.00 0.00 O ATOM 34 CB GLN A 3 -12.634 9.304 3.606 1.00 0.00 C ATOM 35 CG GLN A 3 -13.486 8.924 4.819 1.00 0.00 C ATOM 36 CD GLN A 3 -12.789 9.293 6.120 1.00 0.00 C ATOM 37 OE1 GLN A 3 -12.409 10.442 6.340 1.00 0.00 O ATOM 38 NE2 GLN A 3 -12.584 8.300 7.026 1.00 0.00 N ATOM 0 H GLN A 3 -10.875 9.809 1.936 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.851 8.420 4.396 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.354 10.354 3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.242 9.207 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.449 9.431 4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.688 7.853 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.906 7.353 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.108 8.502 7.905 1.00 0.00 H new ATOM 47 N LEU A 4 -12.125 6.911 1.751 1.00 0.00 N ATOM 48 CA LEU A 4 -12.470 5.670 1.130 1.00 0.00 C ATOM 49 C LEU A 4 -11.276 4.802 0.928 1.00 0.00 C ATOM 50 O LEU A 4 -11.356 3.574 0.922 1.00 0.00 O ATOM 51 CB LEU A 4 -13.102 5.817 -0.265 1.00 0.00 C ATOM 52 CG LEU A 4 -12.549 6.995 -1.085 1.00 0.00 C ATOM 53 CD1 LEU A 4 -12.689 6.739 -2.595 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.270 8.323 -0.799 1.00 0.00 C ATOM 0 H LEU A 4 -12.238 7.703 1.118 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.190 5.236 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.943 4.894 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.179 5.941 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.504 7.073 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.289 7.590 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.136 5.839 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.741 6.606 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.832 9.113 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.328 8.222 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.161 8.576 0.256 1.00 0.00 H new ATOM 66 N PHE A 5 -10.099 5.437 0.787 1.00 0.00 N ATOM 67 CA PHE A 5 -8.830 4.780 0.816 1.00 0.00 C ATOM 68 C PHE A 5 -8.667 4.024 2.090 1.00 0.00 C ATOM 69 O PHE A 5 -8.408 2.822 2.070 1.00 0.00 O ATOM 70 CB PHE A 5 -7.768 5.864 0.571 1.00 0.00 C ATOM 71 CG PHE A 5 -6.374 5.412 0.840 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.689 4.697 -0.114 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.804 5.643 2.070 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.465 4.144 0.185 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.583 5.091 2.381 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.934 4.329 1.439 1.00 0.00 C ATOM 0 H PHE A 5 -10.029 6.445 0.648 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.729 4.023 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.838 6.200 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.989 6.725 1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.112 4.569 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.316 6.259 2.794 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.928 3.571 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.140 5.254 3.352 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.990 3.867 1.689 1.00 0.00 H new ATOM 86 N GLU A 6 -8.900 4.644 3.260 1.00 0.00 N ATOM 87 CA GLU A 6 -8.774 3.965 4.512 1.00 0.00 C ATOM 88 C GLU A 6 -9.951 3.118 4.856 1.00 0.00 C ATOM 89 O GLU A 6 -9.879 2.269 5.743 1.00 0.00 O ATOM 90 CB GLU A 6 -8.409 4.904 5.674 1.00 0.00 C ATOM 91 CG GLU A 6 -7.093 5.631 5.390 1.00 0.00 C ATOM 92 CD GLU A 6 -6.390 6.220 6.605 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.045 6.900 7.439 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.148 6.041 6.714 1.00 0.00 O ATOM 0 H GLU A 6 -9.178 5.622 3.339 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.933 3.286 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.207 5.631 5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.322 4.331 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.412 4.934 4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.289 6.435 4.681 1.00 0.00 H new ATOM 101 N GLU A 7 -11.086 3.236 4.145 1.00 0.00 N ATOM 102 CA GLU A 7 -12.139 2.270 4.212 1.00 0.00 C ATOM 103 C GLU A 7 -11.712 0.956 3.653 1.00 0.00 C ATOM 104 O GLU A 7 -11.759 -0.097 4.286 1.00 0.00 O ATOM 105 CB GLU A 7 -13.360 2.672 3.368 1.00 0.00 C ATOM 106 CG GLU A 7 -14.083 3.923 3.873 1.00 0.00 C ATOM 107 CD GLU A 7 -14.790 3.697 5.201 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.775 2.911 5.226 1.00 0.00 O ATOM 109 OE2 GLU A 7 -14.360 4.280 6.232 1.00 0.00 O ATOM 0 H GLU A 7 -11.276 4.014 3.513 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.388 2.210 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.038 2.841 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.065 1.841 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.363 4.734 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.812 4.242 3.128 1.00 0.00 H new ATOM 116 N LYS A 8 -11.298 1.022 2.376 1.00 0.00 N ATOM 117 CA LYS A 8 -11.028 -0.099 1.529 1.00 0.00 C ATOM 118 C LYS A 8 -9.684 -0.705 1.747 1.00 0.00 C ATOM 119 O LYS A 8 -9.534 -1.925 1.691 1.00 0.00 O ATOM 120 CB LYS A 8 -11.254 0.383 0.087 1.00 0.00 C ATOM 121 CG LYS A 8 -12.736 0.593 -0.231 1.00 0.00 C ATOM 122 CD LYS A 8 -12.963 1.443 -1.483 1.00 0.00 C ATOM 123 CE LYS A 8 -14.411 1.891 -1.688 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.284 0.792 -2.157 1.00 0.00 N ATOM 0 H LYS A 8 -11.142 1.913 1.905 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.702 -0.922 1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.715 1.318 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.836 -0.346 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.214 -0.377 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.220 1.072 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.326 2.326 -1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.644 0.874 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.802 2.286 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.437 2.705 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.277 1.030 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.155 0.659 -3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.034 -0.086 -1.659 1.00 0.00 H new ATOM 138 N ALA A 9 -8.631 0.081 2.036 1.00 0.00 N ATOM 139 CA ALA A 9 -7.287 -0.397 2.126 1.00 0.00 C ATOM 140 C ALA A 9 -7.029 -1.267 3.308 1.00 0.00 C ATOM 141 O ALA A 9 -6.336 -2.282 3.280 1.00 0.00 O ATOM 142 CB ALA A 9 -6.291 0.770 2.242 1.00 0.00 C ATOM 0 H ALA A 9 -8.719 1.082 2.213 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.151 -0.975 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.276 0.377 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.375 1.409 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.515 1.352 3.136 1.00 0.00 H new ATOM 148 N LYS A 10 -7.642 -0.854 4.432 1.00 0.00 N ATOM 149 CA LYS A 10 -7.605 -1.524 5.694 1.00 0.00 C ATOM 150 C LYS A 10 -8.272 -2.856 5.673 1.00 0.00 C ATOM 151 O LYS A 10 -7.971 -3.710 6.505 1.00 0.00 O ATOM 152 CB LYS A 10 -8.290 -0.571 6.688 1.00 0.00 C ATOM 153 CG LYS A 10 -7.483 0.680 7.044 1.00 0.00 C ATOM 154 CD LYS A 10 -6.504 0.550 8.212 1.00 0.00 C ATOM 155 CE LYS A 10 -5.255 -0.291 7.939 1.00 0.00 C ATOM 156 NZ LYS A 10 -4.251 -0.046 8.999 1.00 0.00 N ATOM 0 H LYS A 10 -8.198 0.001 4.460 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.575 -1.742 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.248 -0.261 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.505 -1.120 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.922 0.987 6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.183 1.484 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.189 1.550 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.034 0.116 9.060 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.516 -1.349 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.839 -0.037 6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.403 -0.618 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.994 0.962 9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.650 -0.309 9.923 1.00 0.00 H new ATOM 170 N ALA A 11 -9.168 -3.117 4.704 1.00 0.00 N ATOM 171 CA ALA A 11 -9.731 -4.413 4.483 1.00 0.00 C ATOM 172 C ALA A 11 -8.799 -5.303 3.736 1.00 0.00 C ATOM 173 O ALA A 11 -8.518 -6.417 4.174 1.00 0.00 O ATOM 174 CB ALA A 11 -11.058 -4.298 3.714 1.00 0.00 C ATOM 0 H ALA A 11 -9.510 -2.407 4.056 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.912 -4.856 5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.473 -5.293 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.762 -3.699 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.880 -3.820 2.751 1.00 0.00 H new ATOM 180 N VAL A 12 -8.229 -4.863 2.599 1.00 0.00 N ATOM 181 CA VAL A 12 -7.399 -5.669 1.759 1.00 0.00 C ATOM 182 C VAL A 12 -6.109 -6.059 2.397 1.00 0.00 C ATOM 183 O VAL A 12 -5.536 -7.093 2.057 1.00 0.00 O ATOM 184 CB VAL A 12 -7.203 -5.087 0.391 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.566 -5.091 -0.320 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.589 -3.677 0.442 1.00 0.00 C ATOM 0 H VAL A 12 -8.351 -3.911 2.253 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.956 -6.595 1.621 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.489 -5.694 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.456 -4.672 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.935 -6.114 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.275 -4.490 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.466 -3.297 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.248 -3.013 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.617 -3.721 0.933 1.00 0.00 H new ATOM 196 N ASN A 13 -5.635 -5.323 3.418 1.00 0.00 N ATOM 197 CA ASN A 13 -4.496 -5.725 4.183 1.00 0.00 C ATOM 198 C ASN A 13 -4.706 -6.916 5.053 1.00 0.00 C ATOM 199 O ASN A 13 -3.746 -7.567 5.460 1.00 0.00 O ATOM 200 CB ASN A 13 -3.986 -4.571 5.063 1.00 0.00 C ATOM 201 CG ASN A 13 -3.014 -3.675 4.308 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.802 -3.870 4.382 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.533 -2.653 3.576 1.00 0.00 N ATOM 0 H ASN A 13 -6.047 -4.439 3.716 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.761 -6.006 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.832 -3.978 5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.495 -4.977 5.947 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.912 -2.022 3.069 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.543 -2.517 3.534 1.00 0.00 H new ATOM 210 N GLU A 14 -5.963 -7.270 5.376 1.00 0.00 N ATOM 211 CA GLU A 14 -6.249 -8.308 6.317 1.00 0.00 C ATOM 212 C GLU A 14 -7.437 -9.128 5.947 1.00 0.00 C ATOM 213 O GLU A 14 -8.065 -9.776 6.782 1.00 0.00 O ATOM 214 CB GLU A 14 -6.403 -7.764 7.747 1.00 0.00 C ATOM 215 CG GLU A 14 -7.514 -6.736 7.968 1.00 0.00 C ATOM 216 CD GLU A 14 -7.718 -6.498 9.457 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.274 -7.391 10.152 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.288 -5.428 9.965 1.00 0.00 O ATOM 0 H GLU A 14 -6.793 -6.829 4.978 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.381 -8.967 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.579 -8.606 8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.456 -7.313 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.257 -5.799 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.442 -7.089 7.518 1.00 0.00 H new ATOM 225 N LEU A 15 -7.764 -9.184 4.644 1.00 0.00 N ATOM 226 CA LEU A 15 -8.832 -9.949 4.078 1.00 0.00 C ATOM 227 C LEU A 15 -8.512 -11.403 4.145 1.00 0.00 C ATOM 228 O LEU A 15 -7.329 -11.735 4.202 1.00 0.00 O ATOM 229 CB LEU A 15 -8.997 -9.446 2.633 1.00 0.00 C ATOM 230 CG LEU A 15 -10.412 -9.166 2.100 1.00 0.00 C ATOM 231 CD1 LEU A 15 -11.364 -8.503 3.110 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.333 -8.277 0.848 1.00 0.00 C ATOM 0 H LEU A 15 -7.247 -8.659 3.939 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.767 -9.824 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.421 -8.526 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.536 -10.181 1.974 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.830 -10.147 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.337 -8.345 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.479 -9.150 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.952 -7.544 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.339 -8.083 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.851 -7.333 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.753 -8.785 0.077 1.00 0.00 H new ATOM 244 N PRO A 16 -9.407 -12.346 4.179 1.00 0.00 N ATOM 245 CA PRO A 16 -9.075 -13.727 4.372 1.00 0.00 C ATOM 246 C PRO A 16 -8.469 -14.312 3.142 1.00 0.00 C ATOM 247 O PRO A 16 -7.760 -15.314 3.217 1.00 0.00 O ATOM 248 CB PRO A 16 -10.421 -14.373 4.693 1.00 0.00 C ATOM 249 CG PRO A 16 -11.448 -13.546 3.903 1.00 0.00 C ATOM 250 CD PRO A 16 -10.823 -12.142 3.913 1.00 0.00 C ATOM 0 HA PRO A 16 -8.335 -13.882 5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.440 -15.420 4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.629 -14.345 5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.580 -13.924 2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.429 -13.557 4.378 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.974 -11.639 2.958 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.279 -11.515 4.679 1.00 0.00 H new ATOM 258 N THR A 17 -8.727 -13.669 1.989 1.00 0.00 N ATOM 259 CA THR A 17 -8.144 -13.950 0.714 1.00 0.00 C ATOM 260 C THR A 17 -7.122 -12.879 0.539 1.00 0.00 C ATOM 261 O THR A 17 -7.330 -11.890 -0.162 1.00 0.00 O ATOM 262 CB THR A 17 -9.143 -13.860 -0.401 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.380 -14.462 -0.047 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.659 -14.547 -1.689 1.00 0.00 C ATOM 0 H THR A 17 -9.392 -12.897 1.946 1.00 0.00 H new ATOM 0 HA THR A 17 -7.741 -14.962 0.682 1.00 0.00 H new ATOM 0 HB THR A 17 -9.269 -12.792 -0.579 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.062 -13.767 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.422 -14.451 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.737 -14.075 -2.029 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.475 -15.603 -1.491 1.00 0.00 H new ATOM 272 N LYS A 18 -5.992 -12.994 1.259 1.00 0.00 N ATOM 273 CA LYS A 18 -4.965 -11.999 1.260 1.00 0.00 C ATOM 274 C LYS A 18 -4.383 -11.688 -0.076 1.00 0.00 C ATOM 275 O LYS A 18 -4.375 -12.586 -0.917 1.00 0.00 O ATOM 276 CB LYS A 18 -3.830 -12.378 2.226 1.00 0.00 C ATOM 277 CG LYS A 18 -4.272 -12.417 3.691 1.00 0.00 C ATOM 278 CD LYS A 18 -3.067 -12.390 4.633 1.00 0.00 C ATOM 279 CE LYS A 18 -3.467 -12.453 6.109 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.301 -12.120 6.956 1.00 0.00 N ATOM 0 H LYS A 18 -5.787 -13.797 1.854 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.472 -11.093 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.435 -13.355 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.015 -11.662 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.920 -11.566 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.859 -13.317 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.412 -13.230 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.493 -11.481 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.282 -11.756 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.834 -13.450 6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.576 -12.164 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.536 -12.801 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.970 -11.160 6.729 1.00 0.00 H new ATOM 294 N PRO A 19 -3.897 -10.518 -0.365 1.00 0.00 N ATOM 295 CA PRO A 19 -3.638 -10.088 -1.708 1.00 0.00 C ATOM 296 C PRO A 19 -2.635 -10.899 -2.455 1.00 0.00 C ATOM 297 O PRO A 19 -1.632 -11.322 -1.882 1.00 0.00 O ATOM 298 CB PRO A 19 -3.157 -8.645 -1.579 1.00 0.00 C ATOM 299 CG PRO A 19 -3.904 -8.132 -0.337 1.00 0.00 C ATOM 300 CD PRO A 19 -3.918 -9.387 0.550 1.00 0.00 C ATOM 0 HA PRO A 19 -4.549 -10.202 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.076 -8.592 -1.449 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.401 -8.059 -2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.386 -7.299 0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.910 -7.787 -0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.055 -9.406 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.807 -9.410 1.181 1.00 0.00 H new ATOM 308 N SER A 20 -2.872 -11.160 -3.753 1.00 0.00 N ATOM 309 CA SER A 20 -2.041 -11.971 -4.588 1.00 0.00 C ATOM 310 C SER A 20 -0.766 -11.303 -4.974 1.00 0.00 C ATOM 311 O SER A 20 -0.635 -10.083 -4.889 1.00 0.00 O ATOM 312 CB SER A 20 -2.770 -12.425 -5.864 1.00 0.00 C ATOM 313 OG SER A 20 -3.902 -13.222 -5.549 1.00 0.00 O ATOM 0 H SER A 20 -3.684 -10.787 -4.245 1.00 0.00 H new ATOM 0 HA SER A 20 -1.800 -12.841 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.084 -11.553 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.086 -12.992 -6.495 1.00 0.00 H new ATOM 0 HG SER A 20 -4.349 -13.497 -6.377 1.00 0.00 H new ATOM 319 N THR A 21 0.252 -12.079 -5.383 1.00 0.00 N ATOM 320 CA THR A 21 1.628 -11.690 -5.421 1.00 0.00 C ATOM 321 C THR A 21 1.989 -10.467 -6.192 1.00 0.00 C ATOM 322 O THR A 21 2.696 -9.599 -5.682 1.00 0.00 O ATOM 323 CB THR A 21 2.518 -12.851 -5.754 1.00 0.00 C ATOM 324 OG1 THR A 21 3.875 -12.621 -5.405 1.00 0.00 O ATOM 325 CG2 THR A 21 2.474 -13.259 -7.236 1.00 0.00 C ATOM 0 H THR A 21 0.106 -13.035 -5.707 1.00 0.00 H new ATOM 0 HA THR A 21 1.810 -11.366 -4.396 1.00 0.00 H new ATOM 0 HB THR A 21 2.113 -13.665 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.411 -13.407 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.142 -14.104 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.457 -13.543 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.792 -12.419 -7.854 1.00 0.00 H new ATOM 333 N ASP A 22 1.517 -10.286 -7.438 1.00 0.00 N ATOM 334 CA ASP A 22 1.819 -9.139 -8.237 1.00 0.00 C ATOM 335 C ASP A 22 0.893 -8.000 -7.983 1.00 0.00 C ATOM 336 O ASP A 22 1.228 -6.837 -8.205 1.00 0.00 O ATOM 337 CB ASP A 22 1.974 -9.513 -9.721 1.00 0.00 C ATOM 338 CG ASP A 22 0.774 -10.221 -10.332 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.550 -11.431 -10.058 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.057 -9.580 -11.146 1.00 0.00 O ATOM 0 H ASP A 22 0.907 -10.958 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 22 2.794 -8.765 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.171 -8.605 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.849 -10.153 -9.830 1.00 0.00 H new ATOM 345 N GLU A 23 -0.304 -8.276 -7.435 1.00 0.00 N ATOM 346 CA GLU A 23 -1.263 -7.310 -6.996 1.00 0.00 C ATOM 347 C GLU A 23 -0.845 -6.628 -5.739 1.00 0.00 C ATOM 348 O GLU A 23 -1.033 -5.422 -5.586 1.00 0.00 O ATOM 349 CB GLU A 23 -2.643 -7.978 -6.870 1.00 0.00 C ATOM 350 CG GLU A 23 -3.287 -8.199 -8.241 1.00 0.00 C ATOM 351 CD GLU A 23 -4.105 -9.476 -8.375 1.00 0.00 C ATOM 352 OE1 GLU A 23 -5.193 -9.629 -7.760 1.00 0.00 O ATOM 353 OE2 GLU A 23 -3.663 -10.358 -9.159 1.00 0.00 O ATOM 0 H GLU A 23 -0.621 -9.234 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.328 -6.521 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.540 -8.934 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.295 -7.356 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.932 -7.349 -8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.501 -8.209 -8.996 1.00 0.00 H new ATOM 360 N LEU A 24 -0.202 -7.358 -4.811 1.00 0.00 N ATOM 361 CA LEU A 24 0.408 -6.924 -3.593 1.00 0.00 C ATOM 362 C LEU A 24 1.378 -5.798 -3.707 1.00 0.00 C ATOM 363 O LEU A 24 1.388 -4.894 -2.873 1.00 0.00 O ATOM 364 CB LEU A 24 1.141 -8.139 -3.000 1.00 0.00 C ATOM 365 CG LEU A 24 1.710 -7.987 -1.579 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.577 -7.820 -0.552 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.550 -9.233 -1.253 1.00 0.00 C ATOM 0 H LEU A 24 -0.100 -8.366 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.397 -6.535 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.452 -8.983 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.963 -8.398 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 24 2.334 -7.095 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.003 -7.714 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.005 -6.931 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.071 -8.696 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.961 -9.142 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.920 -10.121 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.365 -9.321 -1.972 1.00 0.00 H new ATOM 379 N LEU A 25 2.237 -5.768 -4.742 1.00 0.00 N ATOM 380 CA LEU A 25 3.160 -4.722 -5.054 1.00 0.00 C ATOM 381 C LEU A 25 2.525 -3.405 -5.341 1.00 0.00 C ATOM 382 O LEU A 25 2.913 -2.380 -4.783 1.00 0.00 O ATOM 383 CB LEU A 25 3.773 -5.367 -6.308 1.00 0.00 C ATOM 384 CG LEU A 25 4.757 -4.603 -7.210 1.00 0.00 C ATOM 385 CD1 LEU A 25 4.024 -3.766 -8.272 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.833 -3.821 -6.437 1.00 0.00 C ATOM 0 H LEU A 25 2.289 -6.536 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 25 3.845 -4.450 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.283 -6.273 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.942 -5.680 -6.941 1.00 0.00 H new ATOM 0 HG LEU A 25 5.324 -5.359 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.754 -3.241 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.422 -4.422 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.376 -3.040 -7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.488 -3.309 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.354 -3.087 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.420 -4.512 -5.832 1.00 0.00 H new ATOM 398 N GLU A 26 1.488 -3.402 -6.198 1.00 0.00 N ATOM 399 CA GLU A 26 0.695 -2.249 -6.492 1.00 0.00 C ATOM 400 C GLU A 26 -0.034 -1.799 -5.274 1.00 0.00 C ATOM 401 O GLU A 26 0.009 -0.627 -4.901 1.00 0.00 O ATOM 402 CB GLU A 26 -0.306 -2.516 -7.629 1.00 0.00 C ATOM 403 CG GLU A 26 0.359 -2.829 -8.971 1.00 0.00 C ATOM 404 CD GLU A 26 -0.615 -2.880 -10.140 1.00 0.00 C ATOM 405 OE1 GLU A 26 -1.851 -2.746 -9.940 1.00 0.00 O ATOM 406 OE2 GLU A 26 -0.131 -3.035 -11.293 1.00 0.00 O ATOM 0 H GLU A 26 1.191 -4.235 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 26 1.374 -1.463 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.948 -3.351 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.950 -1.644 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.118 -2.074 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.874 -3.787 -8.897 1.00 0.00 H new ATOM 413 N LEU A 27 -0.685 -2.724 -4.546 1.00 0.00 N ATOM 414 CA LEU A 27 -1.334 -2.377 -3.320 1.00 0.00 C ATOM 415 C LEU A 27 -0.430 -1.872 -2.248 1.00 0.00 C ATOM 416 O LEU A 27 -0.827 -0.918 -1.580 1.00 0.00 O ATOM 417 CB LEU A 27 -2.288 -3.461 -2.789 1.00 0.00 C ATOM 418 CG LEU A 27 -3.645 -3.617 -3.496 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.542 -4.478 -2.591 1.00 0.00 C ATOM 420 CD2 LEU A 27 -4.320 -2.275 -3.824 1.00 0.00 C ATOM 0 H LEU A 27 -0.762 -3.708 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.950 -1.526 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.770 -4.419 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.479 -3.256 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.483 -4.096 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.516 -4.609 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.078 -5.452 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.669 -3.983 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.272 -2.459 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.493 -1.720 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.674 -1.694 -4.481 1.00 0.00 H new ATOM 432 N TYR A 28 0.803 -2.372 -2.054 1.00 0.00 N ATOM 433 CA TYR A 28 1.793 -1.763 -1.221 1.00 0.00 C ATOM 434 C TYR A 28 2.099 -0.376 -1.670 1.00 0.00 C ATOM 435 O TYR A 28 1.957 0.545 -0.867 1.00 0.00 O ATOM 436 CB TYR A 28 3.081 -2.591 -1.071 1.00 0.00 C ATOM 437 CG TYR A 28 4.213 -1.937 -0.358 1.00 0.00 C ATOM 438 CD1 TYR A 28 5.002 -1.020 -1.013 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.508 -2.218 0.955 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.015 -0.347 -0.371 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.575 -1.624 1.588 1.00 0.00 C ATOM 442 CZ TYR A 28 6.329 -0.684 0.925 1.00 0.00 C ATOM 443 OH TYR A 28 7.408 -0.023 1.548 1.00 0.00 O ATOM 0 H TYR A 28 1.123 -3.234 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 28 1.350 -1.721 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.834 -3.513 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.423 -2.873 -2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.821 -0.823 -2.059 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.891 -2.918 1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.558 0.437 -0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.820 -1.895 2.604 1.00 0.00 H new ATOM 0 HH TYR A 28 7.251 0.944 1.535 1.00 0.00 H new ATOM 453 N ALA A 29 2.522 -0.162 -2.928 1.00 0.00 N ATOM 454 CA ALA A 29 2.913 1.125 -3.416 1.00 0.00 C ATOM 455 C ALA A 29 1.907 2.194 -3.160 1.00 0.00 C ATOM 456 O ALA A 29 2.207 3.228 -2.566 1.00 0.00 O ATOM 457 CB ALA A 29 3.241 1.025 -4.915 1.00 0.00 C ATOM 0 H ALA A 29 2.594 -0.903 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 29 3.801 1.423 -2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.539 2.005 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.056 0.317 -5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.360 0.682 -5.458 1.00 0.00 H new ATOM 463 N LEU A 30 0.643 1.941 -3.544 1.00 0.00 N ATOM 464 CA LEU A 30 -0.451 2.847 -3.375 1.00 0.00 C ATOM 465 C LEU A 30 -0.961 2.978 -1.981 1.00 0.00 C ATOM 466 O LEU A 30 -1.342 4.056 -1.527 1.00 0.00 O ATOM 467 CB LEU A 30 -1.605 2.359 -4.267 1.00 0.00 C ATOM 468 CG LEU A 30 -1.494 2.641 -5.775 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.325 4.136 -6.096 1.00 0.00 C ATOM 470 CD2 LEU A 30 -0.533 1.815 -6.645 1.00 0.00 C ATOM 0 H LEU A 30 0.371 1.066 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.076 3.834 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.705 1.282 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.527 2.813 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.473 2.270 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.252 4.270 -7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.185 4.689 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.417 4.510 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.592 2.157 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.486 1.939 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.811 0.762 -6.595 1.00 0.00 H new ATOM 482 N TYR A 31 -1.009 1.885 -1.199 1.00 0.00 N ATOM 483 CA TYR A 31 -1.368 1.931 0.184 1.00 0.00 C ATOM 484 C TYR A 31 -0.401 2.751 0.967 1.00 0.00 C ATOM 485 O TYR A 31 -0.761 3.691 1.675 1.00 0.00 O ATOM 486 CB TYR A 31 -1.515 0.536 0.815 1.00 0.00 C ATOM 487 CG TYR A 31 -1.825 0.568 2.272 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.960 1.161 2.774 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.882 0.079 3.145 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.209 1.168 4.126 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.083 0.166 4.502 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.258 0.685 4.994 1.00 0.00 C ATOM 493 OH TYR A 31 -2.430 0.777 6.391 1.00 0.00 O ATOM 0 H TYR A 31 -0.793 0.947 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.349 2.405 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.305 -0.006 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.591 -0.022 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.663 1.626 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.020 -0.375 2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.146 1.550 4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.317 -0.174 5.183 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.655 0.382 6.843 1.00 0.00 H new ATOM 503 N LYS A 32 0.911 2.467 0.876 1.00 0.00 N ATOM 504 CA LYS A 32 1.926 3.243 1.518 1.00 0.00 C ATOM 505 C LYS A 32 1.932 4.671 1.094 1.00 0.00 C ATOM 506 O LYS A 32 2.058 5.551 1.944 1.00 0.00 O ATOM 507 CB LYS A 32 3.296 2.561 1.362 1.00 0.00 C ATOM 508 CG LYS A 32 3.376 1.196 2.047 1.00 0.00 C ATOM 509 CD LYS A 32 3.092 1.178 3.550 1.00 0.00 C ATOM 510 CE LYS A 32 3.886 2.248 4.302 1.00 0.00 C ATOM 511 NZ LYS A 32 3.863 2.060 5.770 1.00 0.00 N ATOM 0 H LYS A 32 1.275 1.678 0.342 1.00 0.00 H new ATOM 0 HA LYS A 32 1.691 3.278 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.515 2.440 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.067 3.212 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.671 0.525 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.373 0.787 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.026 1.334 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.338 0.195 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.920 2.236 3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.480 3.230 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.417 2.814 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.881 2.099 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.275 1.135 6.008 1.00 0.00 H new ATOM 525 N GLN A 33 1.677 4.941 -0.199 1.00 0.00 N ATOM 526 CA GLN A 33 1.463 6.251 -0.732 1.00 0.00 C ATOM 527 C GLN A 33 0.493 7.095 0.020 1.00 0.00 C ATOM 528 O GLN A 33 0.873 8.136 0.554 1.00 0.00 O ATOM 529 CB GLN A 33 0.951 6.227 -2.182 1.00 0.00 C ATOM 530 CG GLN A 33 2.059 6.236 -3.237 1.00 0.00 C ATOM 531 CD GLN A 33 1.535 5.893 -4.624 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.555 6.467 -5.095 1.00 0.00 O ATOM 533 NE2 GLN A 33 2.210 4.933 -5.311 1.00 0.00 N ATOM 0 H GLN A 33 1.617 4.210 -0.907 1.00 0.00 H new ATOM 0 HA GLN A 33 2.459 6.687 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.336 5.338 -2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.305 7.090 -2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.528 7.220 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.832 5.521 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.019 4.478 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.907 4.668 -6.248 1.00 0.00 H new ATOM 542 N ALA A 34 -0.784 6.691 0.136 1.00 0.00 N ATOM 543 CA ALA A 34 -1.749 7.535 0.771 1.00 0.00 C ATOM 544 C ALA A 34 -1.754 7.390 2.254 1.00 0.00 C ATOM 545 O ALA A 34 -2.166 8.307 2.963 1.00 0.00 O ATOM 546 CB ALA A 34 -3.160 7.426 0.170 1.00 0.00 C ATOM 0 H ALA A 34 -1.144 5.799 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.419 8.551 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.835 8.095 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.129 7.705 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.517 6.400 0.263 1.00 0.00 H new ATOM 552 N THR A 35 -1.243 6.268 2.792 1.00 0.00 N ATOM 553 CA THR A 35 -1.133 6.082 4.206 1.00 0.00 C ATOM 554 C THR A 35 -0.223 7.068 4.854 1.00 0.00 C ATOM 555 O THR A 35 -0.671 7.857 5.685 1.00 0.00 O ATOM 556 CB THR A 35 -0.724 4.690 4.587 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.748 3.797 4.174 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.647 4.527 6.115 1.00 0.00 C ATOM 0 H THR A 35 -0.902 5.481 2.240 1.00 0.00 H new ATOM 0 HA THR A 35 -2.142 6.252 4.581 1.00 0.00 H new ATOM 0 HB THR A 35 0.244 4.492 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.555 3.474 3.269 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.348 3.507 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.086 5.226 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.624 4.732 6.553 1.00 0.00 H new ATOM 566 N VAL A 36 1.081 7.081 4.526 1.00 0.00 N ATOM 567 CA VAL A 36 1.976 8.047 5.083 1.00 0.00 C ATOM 568 C VAL A 36 2.045 9.325 4.320 1.00 0.00 C ATOM 569 O VAL A 36 2.335 10.373 4.895 1.00 0.00 O ATOM 570 CB VAL A 36 3.338 7.497 5.387 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.242 6.520 6.570 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.920 6.771 4.163 1.00 0.00 C ATOM 0 H VAL A 36 1.515 6.425 3.877 1.00 0.00 H new ATOM 0 HA VAL A 36 1.525 8.300 6.043 1.00 0.00 H new ATOM 0 HB VAL A 36 3.999 8.325 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.231 6.119 6.792 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.858 7.045 7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.569 5.702 6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.908 6.381 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.264 5.947 3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.002 7.470 3.330 1.00 0.00 H new ATOM 582 N GLY A 37 1.787 9.324 3.000 1.00 0.00 N ATOM 583 CA GLY A 37 1.693 10.510 2.205 1.00 0.00 C ATOM 584 C GLY A 37 2.954 10.965 1.556 1.00 0.00 C ATOM 585 O GLY A 37 2.920 11.818 0.671 1.00 0.00 O ATOM 0 H GLY A 37 1.638 8.467 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.948 10.344 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.321 11.317 2.836 1.00 0.00 H new ATOM 589 N ASP A 38 4.116 10.422 1.961 1.00 0.00 N ATOM 590 CA ASP A 38 5.393 10.813 1.450 1.00 0.00 C ATOM 591 C ASP A 38 6.247 9.593 1.402 1.00 0.00 C ATOM 592 O ASP A 38 5.964 8.613 2.089 1.00 0.00 O ATOM 593 CB ASP A 38 6.081 11.780 2.429 1.00 0.00 C ATOM 594 CG ASP A 38 5.408 13.145 2.453 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.806 14.003 1.620 1.00 0.00 O ATOM 596 OD2 ASP A 38 4.559 13.407 3.346 1.00 0.00 O ATOM 0 H ASP A 38 4.169 9.687 2.667 1.00 0.00 H new ATOM 0 HA ASP A 38 5.264 11.283 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.067 11.352 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.127 11.897 2.147 1.00 0.00 H new ATOM 601 N ASN A 39 7.373 9.620 0.667 1.00 0.00 N ATOM 602 CA ASN A 39 8.495 8.790 0.981 1.00 0.00 C ATOM 603 C ASN A 39 8.990 8.880 2.383 1.00 0.00 C ATOM 604 O ASN A 39 9.507 9.899 2.838 1.00 0.00 O ATOM 605 CB ASN A 39 9.655 8.876 -0.025 1.00 0.00 C ATOM 606 CG ASN A 39 10.294 10.255 -0.113 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.632 11.288 -0.189 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.653 10.301 -0.119 1.00 0.00 N ATOM 0 H ASN A 39 7.507 10.219 -0.148 1.00 0.00 H new ATOM 0 HA ASN A 39 8.063 7.794 0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.419 8.150 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.289 8.592 -1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.133 11.199 -0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.193 9.438 -0.055 1.00 0.00 H new ATOM 615 N ASP A 40 8.809 7.794 3.156 1.00 0.00 N ATOM 616 CA ASP A 40 8.941 7.744 4.579 1.00 0.00 C ATOM 617 C ASP A 40 10.142 6.964 4.992 1.00 0.00 C ATOM 618 O ASP A 40 11.164 7.500 5.418 1.00 0.00 O ATOM 619 CB ASP A 40 7.612 7.182 5.111 1.00 0.00 C ATOM 620 CG ASP A 40 7.540 7.104 6.629 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.817 8.128 7.309 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.236 6.002 7.160 1.00 0.00 O ATOM 0 H ASP A 40 8.553 6.890 2.759 1.00 0.00 H new ATOM 0 HA ASP A 40 9.115 8.730 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.794 7.806 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.459 6.185 4.698 1.00 0.00 H new ATOM 627 N LYS A 41 10.075 5.624 4.899 1.00 0.00 N ATOM 628 CA LYS A 41 11.097 4.740 5.368 1.00 0.00 C ATOM 629 C LYS A 41 12.114 4.445 4.320 1.00 0.00 C ATOM 630 O LYS A 41 12.122 3.374 3.715 1.00 0.00 O ATOM 631 CB LYS A 41 10.495 3.404 5.835 1.00 0.00 C ATOM 632 CG LYS A 41 9.546 3.475 7.033 1.00 0.00 C ATOM 633 CD LYS A 41 10.216 3.881 8.347 1.00 0.00 C ATOM 634 CE LYS A 41 10.301 5.382 8.630 1.00 0.00 C ATOM 635 NZ LYS A 41 9.049 5.916 9.213 1.00 0.00 N ATOM 0 H LYS A 41 9.281 5.138 4.482 1.00 0.00 H new ATOM 0 HA LYS A 41 11.581 5.253 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.958 2.959 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.313 2.728 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.751 4.187 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.074 2.501 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.675 3.409 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.227 3.474 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.128 5.574 9.313 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.523 5.912 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.130 6.947 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.251 5.697 8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.885 5.479 10.143 1.00 0.00 H new ATOM 649 N GLU A 42 13.081 5.361 4.136 1.00 0.00 N ATOM 650 CA GLU A 42 14.139 5.245 3.181 1.00 0.00 C ATOM 651 C GLU A 42 15.238 4.354 3.648 1.00 0.00 C ATOM 652 O GLU A 42 16.422 4.687 3.639 1.00 0.00 O ATOM 653 CB GLU A 42 14.643 6.646 2.794 1.00 0.00 C ATOM 654 CG GLU A 42 15.496 6.679 1.524 1.00 0.00 C ATOM 655 CD GLU A 42 15.967 8.085 1.182 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.121 8.948 0.824 1.00 0.00 O ATOM 657 OE2 GLU A 42 17.199 8.343 1.220 1.00 0.00 O ATOM 0 H GLU A 42 13.127 6.223 4.679 1.00 0.00 H new ATOM 0 HA GLU A 42 13.741 4.763 2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.784 7.304 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.227 7.051 3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.362 6.029 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.919 6.279 0.691 1.00 0.00 H new ATOM 664 N LYS A 43 14.876 3.129 4.067 1.00 0.00 N ATOM 665 CA LYS A 43 15.775 2.022 4.175 1.00 0.00 C ATOM 666 C LYS A 43 14.961 0.775 4.189 1.00 0.00 C ATOM 667 O LYS A 43 14.662 0.260 5.265 1.00 0.00 O ATOM 668 CB LYS A 43 16.738 2.075 5.373 1.00 0.00 C ATOM 669 CG LYS A 43 17.873 1.056 5.251 1.00 0.00 C ATOM 670 CD LYS A 43 18.878 1.065 6.404 1.00 0.00 C ATOM 671 CE LYS A 43 19.733 2.323 6.568 1.00 0.00 C ATOM 672 NZ LYS A 43 20.449 2.662 5.318 1.00 0.00 N ATOM 0 H LYS A 43 13.921 2.900 4.341 1.00 0.00 H new ATOM 0 HA LYS A 43 16.440 2.057 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.159 3.077 5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 43 16.182 1.888 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 43 17.439 0.059 5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.409 1.242 4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.330 0.904 7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.547 0.214 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.099 3.159 6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.454 2.171 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 21.083 3.468 5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 21.008 1.843 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.760 2.913 4.581 1.00 0.00 H new ATOM 686 N PRO A 44 14.579 0.214 3.080 1.00 0.00 N ATOM 687 CA PRO A 44 14.228 -1.174 3.005 1.00 0.00 C ATOM 688 C PRO A 44 15.466 -1.989 3.159 1.00 0.00 C ATOM 689 O PRO A 44 16.557 -1.472 2.925 1.00 0.00 O ATOM 690 CB PRO A 44 13.593 -1.327 1.625 1.00 0.00 C ATOM 691 CG PRO A 44 14.290 -0.250 0.779 1.00 0.00 C ATOM 692 CD PRO A 44 14.462 0.889 1.796 1.00 0.00 C ATOM 0 HA PRO A 44 13.542 -1.508 3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.758 -2.324 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.515 -1.171 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.246 -0.595 0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.685 0.053 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.348 1.485 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.609 1.568 1.780 1.00 0.00 H new ATOM 700 N GLY A 45 15.362 -3.247 3.623 1.00 0.00 N ATOM 701 CA GLY A 45 16.478 -3.931 4.200 1.00 0.00 C ATOM 702 C GLY A 45 17.503 -4.468 3.261 1.00 0.00 C ATOM 703 O GLY A 45 17.510 -4.196 2.061 1.00 0.00 O ATOM 0 H GLY A 45 14.501 -3.793 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.975 -3.248 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.096 -4.761 4.795 1.00 0.00 H new ATOM 707 N ILE A 46 18.436 -5.277 3.792 1.00 0.00 N ATOM 708 CA ILE A 46 19.731 -5.493 3.225 1.00 0.00 C ATOM 709 C ILE A 46 19.712 -6.648 2.284 1.00 0.00 C ATOM 710 O ILE A 46 20.141 -6.553 1.135 1.00 0.00 O ATOM 711 CB ILE A 46 20.817 -5.587 4.256 1.00 0.00 C ATOM 712 CG1 ILE A 46 20.735 -6.813 5.181 1.00 0.00 C ATOM 713 CG2 ILE A 46 20.794 -4.278 5.063 1.00 0.00 C ATOM 714 CD1 ILE A 46 21.734 -6.819 6.338 1.00 0.00 C ATOM 0 H ILE A 46 18.282 -5.803 4.652 1.00 0.00 H new ATOM 0 HA ILE A 46 19.982 -4.607 2.642 1.00 0.00 H new ATOM 0 HB ILE A 46 21.763 -5.726 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.727 -6.873 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.890 -7.711 4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 46 21.572 -4.307 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 46 20.972 -3.435 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.821 -4.162 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 46 21.597 -7.723 6.932 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.749 -6.795 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.569 -5.944 6.966 1.00 0.00 H new ATOM 726 N PHE A 47 19.124 -7.769 2.739 1.00 0.00 N ATOM 727 CA PHE A 47 18.774 -8.927 1.977 1.00 0.00 C ATOM 728 C PHE A 47 17.384 -8.782 1.461 1.00 0.00 C ATOM 729 O PHE A 47 16.834 -9.675 0.819 1.00 0.00 O ATOM 730 CB PHE A 47 18.903 -10.199 2.832 1.00 0.00 C ATOM 731 CG PHE A 47 18.401 -10.028 4.224 1.00 0.00 C ATOM 732 CD1 PHE A 47 17.056 -9.931 4.496 1.00 0.00 C ATOM 733 CD2 PHE A 47 19.295 -9.901 5.261 1.00 0.00 C ATOM 734 CE1 PHE A 47 16.613 -9.645 5.766 1.00 0.00 C ATOM 735 CE2 PHE A 47 18.866 -9.614 6.535 1.00 0.00 C ATOM 736 CZ PHE A 47 17.521 -9.474 6.785 1.00 0.00 C ATOM 0 H PHE A 47 18.873 -7.872 3.722 1.00 0.00 H new ATOM 0 HA PHE A 47 19.460 -9.018 1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 47 18.353 -11.008 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 47 19.950 -10.501 2.865 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.339 -10.081 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 47 20.351 -10.029 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 47 15.555 -9.555 5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 47 19.582 -9.499 7.336 1.00 0.00 H new ATOM 0 HZ PHE A 47 17.178 -9.230 7.780 1.00 0.00 H new ATOM 746 N ASN A 48 16.725 -7.646 1.752 1.00 0.00 N ATOM 747 CA ASN A 48 15.318 -7.464 1.573 1.00 0.00 C ATOM 748 C ASN A 48 14.960 -7.060 0.184 1.00 0.00 C ATOM 749 O ASN A 48 14.397 -5.995 -0.063 1.00 0.00 O ATOM 750 CB ASN A 48 14.727 -6.535 2.646 1.00 0.00 C ATOM 751 CG ASN A 48 13.489 -7.221 3.206 1.00 0.00 C ATOM 752 OD1 ASN A 48 12.639 -7.679 2.443 1.00 0.00 O ATOM 753 ND2 ASN A 48 13.437 -7.405 4.552 1.00 0.00 N ATOM 0 H ASN A 48 17.192 -6.820 2.127 1.00 0.00 H new ATOM 0 HA ASN A 48 14.850 -8.438 1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.454 -6.349 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.469 -5.567 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.673 -7.940 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.162 -7.008 5.149 1.00 0.00 H new ATOM 760 N MET A 49 15.260 -7.923 -0.803 1.00 0.00 N ATOM 761 CA MET A 49 15.056 -7.703 -2.202 1.00 0.00 C ATOM 762 C MET A 49 13.631 -7.476 -2.571 1.00 0.00 C ATOM 763 O MET A 49 13.324 -6.677 -3.455 1.00 0.00 O ATOM 764 CB MET A 49 15.689 -8.837 -3.026 1.00 0.00 C ATOM 765 CG MET A 49 15.098 -10.235 -2.831 1.00 0.00 C ATOM 766 SD MET A 49 13.677 -10.620 -3.897 1.00 0.00 S ATOM 767 CE MET A 49 13.133 -12.038 -2.902 1.00 0.00 C ATOM 0 H MET A 49 15.673 -8.836 -0.610 1.00 0.00 H new ATOM 0 HA MET A 49 15.564 -6.770 -2.447 1.00 0.00 H new ATOM 0 HB2 MET A 49 15.609 -8.577 -4.082 1.00 0.00 H new ATOM 0 HB3 MET A 49 16.752 -8.880 -2.788 1.00 0.00 H new ATOM 0 HG2 MET A 49 15.880 -10.973 -3.012 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.793 -10.343 -1.790 1.00 0.00 H new ATOM 0 HE1 MET A 49 12.242 -12.477 -3.351 1.00 0.00 H new ATOM 0 HE2 MET A 49 13.927 -12.784 -2.867 1.00 0.00 H new ATOM 0 HE3 MET A 49 12.902 -11.705 -1.890 1.00 0.00 H new ATOM 777 N LYS A 50 12.706 -8.130 -1.845 1.00 0.00 N ATOM 778 CA LYS A 50 11.289 -7.963 -1.943 1.00 0.00 C ATOM 779 C LYS A 50 10.879 -6.573 -1.598 1.00 0.00 C ATOM 780 O LYS A 50 10.277 -5.866 -2.405 1.00 0.00 O ATOM 781 CB LYS A 50 10.567 -9.037 -1.112 1.00 0.00 C ATOM 782 CG LYS A 50 10.905 -9.106 0.379 1.00 0.00 C ATOM 783 CD LYS A 50 10.025 -10.053 1.199 1.00 0.00 C ATOM 784 CE LYS A 50 10.373 -10.053 2.689 1.00 0.00 C ATOM 785 NZ LYS A 50 10.071 -8.764 3.350 1.00 0.00 N ATOM 0 H LYS A 50 12.967 -8.822 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 50 10.985 -8.109 -2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.493 -8.875 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.784 -10.010 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.944 -9.416 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.826 -8.104 0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.980 -9.767 1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.127 -11.065 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.819 -10.849 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.433 -10.278 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.750 -8.940 4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.928 -8.175 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.323 -8.270 2.823 1.00 0.00 H new ATOM 799 N ASP A 51 11.268 -6.083 -0.408 1.00 0.00 N ATOM 800 CA ASP A 51 10.925 -4.795 0.110 1.00 0.00 C ATOM 801 C ASP A 51 11.555 -3.711 -0.695 1.00 0.00 C ATOM 802 O ASP A 51 10.915 -2.702 -0.987 1.00 0.00 O ATOM 803 CB ASP A 51 11.317 -4.668 1.591 1.00 0.00 C ATOM 804 CG ASP A 51 10.483 -5.560 2.499 1.00 0.00 C ATOM 805 OD1 ASP A 51 9.580 -6.305 2.033 1.00 0.00 O ATOM 806 OD2 ASP A 51 10.740 -5.522 3.732 1.00 0.00 O ATOM 0 H ASP A 51 11.857 -6.618 0.230 1.00 0.00 H new ATOM 0 HA ASP A 51 9.843 -4.688 0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.370 -4.923 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.204 -3.630 1.905 1.00 0.00 H new ATOM 811 N ARG A 52 12.807 -3.884 -1.156 1.00 0.00 N ATOM 812 CA ARG A 52 13.454 -2.995 -2.070 1.00 0.00 C ATOM 813 C ARG A 52 12.760 -2.775 -3.370 1.00 0.00 C ATOM 814 O ARG A 52 12.777 -1.663 -3.894 1.00 0.00 O ATOM 815 CB ARG A 52 14.901 -3.438 -2.346 1.00 0.00 C ATOM 816 CG ARG A 52 15.858 -3.231 -1.170 1.00 0.00 C ATOM 817 CD ARG A 52 17.300 -3.572 -1.552 1.00 0.00 C ATOM 818 NE ARG A 52 18.176 -3.257 -0.389 1.00 0.00 N ATOM 819 CZ ARG A 52 19.498 -2.937 -0.515 1.00 0.00 C ATOM 820 NH1 ARG A 52 20.127 -2.960 -1.726 1.00 0.00 N ATOM 821 NH2 ARG A 52 20.226 -2.597 0.588 1.00 0.00 N ATOM 0 H ARG A 52 13.391 -4.674 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 52 13.426 -2.037 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.900 -4.494 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.279 -2.888 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.805 -2.195 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 52 15.546 -3.854 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.384 -4.626 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.608 -2.998 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 52 17.769 -3.281 0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.609 -3.221 -2.565 1.00 0.00 H new ATOM 0 HH12 ARG A 52 21.115 -2.716 -1.792 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.783 -2.582 1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 52 21.213 -2.358 0.494 1.00 0.00 H new ATOM 835 N TYR A 53 12.108 -3.790 -3.966 1.00 0.00 N ATOM 836 CA TYR A 53 11.313 -3.629 -5.143 1.00 0.00 C ATOM 837 C TYR A 53 10.041 -2.898 -4.886 1.00 0.00 C ATOM 838 O TYR A 53 9.695 -1.962 -5.606 1.00 0.00 O ATOM 839 CB TYR A 53 10.982 -4.978 -5.804 1.00 0.00 C ATOM 840 CG TYR A 53 12.094 -5.496 -6.650 1.00 0.00 C ATOM 841 CD1 TYR A 53 12.648 -4.706 -7.630 1.00 0.00 C ATOM 842 CD2 TYR A 53 12.525 -6.795 -6.523 1.00 0.00 C ATOM 843 CE1 TYR A 53 13.637 -5.194 -8.450 1.00 0.00 C ATOM 844 CE2 TYR A 53 13.505 -7.296 -7.347 1.00 0.00 C ATOM 845 CZ TYR A 53 14.063 -6.495 -8.314 1.00 0.00 C ATOM 846 OH TYR A 53 15.053 -6.981 -9.195 1.00 0.00 O ATOM 0 H TYR A 53 12.135 -4.749 -3.619 1.00 0.00 H new ATOM 0 HA TYR A 53 11.926 -3.033 -5.819 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.750 -5.709 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 53 10.087 -4.867 -6.416 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.302 -3.691 -7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 53 12.088 -7.430 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.080 -4.556 -9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 53 13.836 -8.318 -7.234 1.00 0.00 H new ATOM 0 HH TYR A 53 15.254 -7.915 -8.978 1.00 0.00 H new ATOM 856 N LYS A 54 9.312 -3.273 -3.820 1.00 0.00 N ATOM 857 CA LYS A 54 8.117 -2.629 -3.370 1.00 0.00 C ATOM 858 C LYS A 54 8.321 -1.191 -3.033 1.00 0.00 C ATOM 859 O LYS A 54 7.560 -0.320 -3.450 1.00 0.00 O ATOM 860 CB LYS A 54 7.527 -3.369 -2.158 1.00 0.00 C ATOM 861 CG LYS A 54 6.538 -4.488 -2.495 1.00 0.00 C ATOM 862 CD LYS A 54 7.185 -5.792 -2.965 1.00 0.00 C ATOM 863 CE LYS A 54 6.188 -6.936 -3.162 1.00 0.00 C ATOM 864 NZ LYS A 54 6.885 -8.187 -3.537 1.00 0.00 N ATOM 0 H LYS A 54 9.572 -4.071 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 54 7.416 -2.668 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.346 -3.793 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.025 -2.643 -1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.932 -4.696 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.860 -4.134 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.707 -5.611 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.936 -6.098 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.622 -7.092 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.470 -6.669 -3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.188 -8.948 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.406 -8.041 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.552 -8.452 -2.784 1.00 0.00 H new ATOM 878 N TRP A 55 9.404 -0.864 -2.305 1.00 0.00 N ATOM 879 CA TRP A 55 9.773 0.462 -1.919 1.00 0.00 C ATOM 880 C TRP A 55 10.158 1.323 -3.073 1.00 0.00 C ATOM 881 O TRP A 55 9.897 2.525 -3.082 1.00 0.00 O ATOM 882 CB TRP A 55 10.875 0.407 -0.848 1.00 0.00 C ATOM 883 CG TRP A 55 10.937 1.623 0.045 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.215 1.882 1.174 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.648 2.836 -0.268 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.297 3.214 1.485 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.231 3.796 0.662 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.522 3.159 -1.269 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.666 5.090 0.573 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.944 4.466 -1.350 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.521 5.418 -0.453 1.00 0.00 C ATOM 0 H TRP A 55 10.060 -1.568 -1.966 1.00 0.00 H new ATOM 0 HA TRP A 55 8.890 0.937 -1.491 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.719 -0.476 -0.229 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.839 0.284 -1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.661 1.146 1.738 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.756 3.693 2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.869 2.415 -1.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.347 5.833 1.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.625 4.751 -2.138 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.865 6.437 -0.555 1.00 0.00 H new ATOM 902 N GLU A 56 10.735 0.746 -4.142 1.00 0.00 N ATOM 903 CA GLU A 56 11.080 1.425 -5.352 1.00 0.00 C ATOM 904 C GLU A 56 9.863 1.812 -6.121 1.00 0.00 C ATOM 905 O GLU A 56 9.741 2.935 -6.607 1.00 0.00 O ATOM 906 CB GLU A 56 12.007 0.560 -6.222 1.00 0.00 C ATOM 907 CG GLU A 56 12.548 1.270 -7.465 1.00 0.00 C ATOM 908 CD GLU A 56 13.583 0.442 -8.213 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.603 0.029 -7.600 1.00 0.00 O ATOM 910 OE2 GLU A 56 13.399 0.220 -9.440 1.00 0.00 O ATOM 0 H GLU A 56 10.973 -0.246 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 56 11.612 2.335 -5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.848 0.225 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.464 -0.332 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.720 1.500 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.993 2.220 -7.170 1.00 0.00 H new ATOM 917 N ALA A 57 8.862 0.917 -6.193 1.00 0.00 N ATOM 918 CA ALA A 57 7.599 1.175 -6.814 1.00 0.00 C ATOM 919 C ALA A 57 6.773 2.177 -6.084 1.00 0.00 C ATOM 920 O ALA A 57 5.857 2.790 -6.630 1.00 0.00 O ATOM 921 CB ALA A 57 6.819 -0.145 -6.938 1.00 0.00 C ATOM 0 H ALA A 57 8.935 -0.023 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 57 7.807 1.601 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.855 0.045 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.389 -0.849 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.660 -0.568 -5.946 1.00 0.00 H new ATOM 927 N TRP A 58 7.109 2.416 -4.804 1.00 0.00 N ATOM 928 CA TRP A 58 6.499 3.379 -3.942 1.00 0.00 C ATOM 929 C TRP A 58 7.138 4.709 -4.152 1.00 0.00 C ATOM 930 O TRP A 58 6.457 5.701 -4.406 1.00 0.00 O ATOM 931 CB TRP A 58 6.554 2.900 -2.481 1.00 0.00 C ATOM 932 CG TRP A 58 5.955 3.835 -1.458 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.085 4.861 -1.691 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.236 3.861 -0.046 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.870 5.584 -0.548 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.562 4.974 0.471 1.00 0.00 C ATOM 937 CE3 TRP A 58 6.997 3.059 0.759 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.666 5.281 1.800 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.981 3.308 2.111 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.331 4.405 2.626 1.00 0.00 C ATOM 0 H TRP A 58 7.858 1.901 -4.341 1.00 0.00 H new ATOM 0 HA TRP A 58 5.442 3.489 -4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.040 1.941 -2.414 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.596 2.722 -2.216 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.629 5.073 -2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.298 6.425 -0.467 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.591 2.257 0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.236 6.191 2.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.488 2.630 2.781 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.343 4.581 3.692 1.00 0.00 H new ATOM 951 N GLU A 59 8.480 4.792 -4.111 1.00 0.00 N ATOM 952 CA GLU A 59 9.314 5.938 -4.302 1.00 0.00 C ATOM 953 C GLU A 59 9.114 6.601 -5.621 1.00 0.00 C ATOM 954 O GLU A 59 9.334 7.800 -5.791 1.00 0.00 O ATOM 955 CB GLU A 59 10.793 5.552 -4.130 1.00 0.00 C ATOM 956 CG GLU A 59 11.795 6.707 -4.086 1.00 0.00 C ATOM 957 CD GLU A 59 12.497 7.039 -5.395 1.00 0.00 C ATOM 958 OE1 GLU A 59 12.366 6.284 -6.395 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.206 8.080 -5.435 1.00 0.00 O ATOM 0 H GLU A 59 9.040 3.961 -3.923 1.00 0.00 H new ATOM 0 HA GLU A 59 9.023 6.661 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.892 4.978 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.071 4.889 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.273 7.600 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.554 6.473 -3.340 1.00 0.00 H new ATOM 966 N ASN A 60 8.591 5.860 -6.614 1.00 0.00 N ATOM 967 CA ASN A 60 8.082 6.364 -7.852 1.00 0.00 C ATOM 968 C ASN A 60 7.114 7.486 -7.700 1.00 0.00 C ATOM 969 O ASN A 60 7.067 8.394 -8.529 1.00 0.00 O ATOM 970 CB ASN A 60 7.451 5.186 -8.613 1.00 0.00 C ATOM 971 CG ASN A 60 7.269 5.490 -10.093 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.081 6.176 -10.712 1.00 0.00 O ATOM 973 ND2 ASN A 60 6.182 4.938 -10.695 1.00 0.00 N ATOM 0 H ASN A 60 8.519 4.845 -6.547 1.00 0.00 H new ATOM 0 HA ASN A 60 8.913 6.795 -8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.081 4.303 -8.500 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.484 4.946 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.020 5.088 -11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.529 4.374 -10.151 1.00 0.00 H new ATOM 980 N LEU A 61 6.322 7.496 -6.613 1.00 0.00 N ATOM 981 CA LEU A 61 5.356 8.518 -6.354 1.00 0.00 C ATOM 982 C LEU A 61 5.601 9.345 -5.139 1.00 0.00 C ATOM 983 O LEU A 61 4.721 10.080 -4.694 1.00 0.00 O ATOM 984 CB LEU A 61 3.932 7.938 -6.336 1.00 0.00 C ATOM 985 CG LEU A 61 3.225 8.197 -7.678 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.759 7.303 -8.810 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.704 8.021 -7.535 1.00 0.00 C ATOM 0 H LEU A 61 6.354 6.773 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 61 5.467 9.211 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.972 6.866 -6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.360 8.388 -5.525 1.00 0.00 H new ATOM 0 HG LEU A 61 3.443 9.229 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.225 7.528 -9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.823 7.491 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.607 6.256 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.224 8.209 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.484 7.003 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.324 8.726 -6.796 1.00 0.00 H new ATOM 999 N LYS A 62 6.835 9.340 -4.604 1.00 0.00 N ATOM 1000 CA LYS A 62 7.325 9.978 -3.421 1.00 0.00 C ATOM 1001 C LYS A 62 6.795 11.267 -2.894 1.00 0.00 C ATOM 1002 O LYS A 62 6.739 11.437 -1.677 1.00 0.00 O ATOM 1003 CB LYS A 62 8.842 10.153 -3.596 1.00 0.00 C ATOM 1004 CG LYS A 62 9.271 11.029 -4.775 1.00 0.00 C ATOM 1005 CD LYS A 62 10.710 10.757 -5.217 1.00 0.00 C ATOM 1006 CE LYS A 62 11.753 11.029 -4.132 1.00 0.00 C ATOM 1007 NZ LYS A 62 13.101 10.623 -4.590 1.00 0.00 N ATOM 0 H LYS A 62 7.582 8.820 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 62 6.952 9.290 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.249 10.582 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.293 9.168 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.598 10.856 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.172 12.079 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.792 9.717 -5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.935 11.374 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.753 12.089 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.492 10.484 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.682 10.360 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.019 9.808 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.550 11.415 -5.093 1.00 0.00 H new ATOM 1021 N GLY A 63 6.403 12.235 -3.741 1.00 0.00 N ATOM 1022 CA GLY A 63 5.957 13.535 -3.348 1.00 0.00 C ATOM 1023 C GLY A 63 4.488 13.734 -3.499 1.00 0.00 C ATOM 1024 O GLY A 63 3.838 14.348 -2.654 1.00 0.00 O ATOM 0 H GLY A 63 6.397 12.103 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.233 13.705 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.479 14.284 -3.943 1.00 0.00 H new ATOM 1028 N LYS A 64 3.893 13.224 -4.592 1.00 0.00 N ATOM 1029 CA LYS A 64 2.527 13.508 -4.905 1.00 0.00 C ATOM 1030 C LYS A 64 1.599 12.448 -4.419 1.00 0.00 C ATOM 1031 O LYS A 64 0.379 12.548 -4.540 1.00 0.00 O ATOM 1032 CB LYS A 64 2.342 13.677 -6.423 1.00 0.00 C ATOM 1033 CG LYS A 64 2.485 12.373 -7.210 1.00 0.00 C ATOM 1034 CD LYS A 64 2.369 12.639 -8.712 1.00 0.00 C ATOM 1035 CE LYS A 64 2.423 11.356 -9.545 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.188 11.651 -10.976 1.00 0.00 N ATOM 0 H LYS A 64 4.360 12.612 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 64 2.280 14.437 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.356 14.100 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.074 14.395 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.448 11.912 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.715 11.667 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.432 13.159 -8.913 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.176 13.303 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.395 10.877 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.673 10.651 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.229 10.768 -11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.251 12.087 -11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.919 12.306 -11.320 1.00 0.00 H new ATOM 1050 N SER A 65 2.192 11.388 -3.843 1.00 0.00 N ATOM 1051 CA SER A 65 1.626 10.165 -3.362 1.00 0.00 C ATOM 1052 C SER A 65 0.205 10.162 -2.915 1.00 0.00 C ATOM 1053 O SER A 65 -0.613 9.433 -3.474 1.00 0.00 O ATOM 1054 CB SER A 65 2.436 9.710 -2.136 1.00 0.00 C ATOM 1055 OG SER A 65 3.686 9.121 -2.464 1.00 0.00 O ATOM 0 H SER A 65 3.202 11.394 -3.697 1.00 0.00 H new ATOM 0 HA SER A 65 1.663 9.522 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.608 10.568 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.845 8.993 -1.567 1.00 0.00 H new ATOM 0 HG SER A 65 3.992 9.464 -3.330 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.144 10.977 -1.904 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.437 11.008 -1.294 1.00 0.00 C ATOM 1063 C GLN A 66 -2.559 11.275 -2.237 1.00 0.00 C ATOM 1064 O GLN A 66 -3.618 10.653 -2.178 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.373 12.077 -0.190 1.00 0.00 C ATOM 1066 CG GLN A 66 -2.116 11.605 1.061 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.663 12.383 2.289 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.361 13.574 2.248 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.529 11.643 3.422 1.00 0.00 N ATOM 0 H GLN A 66 0.506 11.646 -1.492 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.661 10.018 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.333 12.290 0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.812 13.007 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.189 11.732 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.938 10.541 1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.789 10.657 3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.168 12.074 4.273 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.303 12.184 -3.195 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.246 12.701 -4.138 1.00 0.00 C ATOM 1080 C GLU A 67 -3.500 11.742 -5.249 1.00 0.00 C ATOM 1081 O GLU A 67 -4.635 11.623 -5.706 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.728 14.031 -4.710 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.477 15.114 -3.660 1.00 0.00 C ATOM 1084 CD GLU A 67 -3.736 15.849 -3.225 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -4.672 15.229 -2.653 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.767 17.093 -3.424 1.00 0.00 O ATOM 0 H GLU A 67 -1.373 12.585 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.189 12.861 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.800 13.844 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.449 14.406 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.013 14.659 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.765 15.836 -4.059 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.481 11.002 -5.723 1.00 0.00 N ATOM 1094 CA ASP A 68 -2.713 10.073 -6.785 1.00 0.00 C ATOM 1095 C ASP A 68 -3.199 8.774 -6.240 1.00 0.00 C ATOM 1096 O ASP A 68 -4.096 8.156 -6.811 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.455 9.866 -7.645 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.333 10.935 -8.722 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -1.214 12.149 -8.406 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.359 10.576 -9.930 1.00 0.00 O ATOM 0 H ASP A 68 -1.521 11.044 -5.382 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.483 10.493 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.570 9.887 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.489 8.881 -8.111 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.669 8.333 -5.084 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.107 7.133 -4.441 1.00 0.00 C ATOM 1107 C ALA A 69 -4.574 7.078 -4.186 1.00 0.00 C ATOM 1108 O ALA A 69 -5.262 6.246 -4.775 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.332 6.882 -3.136 1.00 0.00 C ATOM 0 H ALA A 69 -1.923 8.819 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.889 6.336 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.689 5.963 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.269 6.788 -3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.489 7.717 -2.453 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.143 7.986 -3.373 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.548 8.070 -3.120 1.00 0.00 C ATOM 1117 C GLU A 70 -7.507 7.952 -4.254 1.00 0.00 C ATOM 1118 O GLU A 70 -8.603 7.421 -4.078 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.847 9.295 -2.240 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.761 10.633 -2.977 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.081 11.819 -2.077 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -6.746 11.822 -0.862 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.724 12.778 -2.581 1.00 0.00 O ATOM 0 H GLU A 70 -4.602 8.690 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.753 7.134 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.846 9.189 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.147 9.308 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.759 10.753 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.452 10.624 -3.820 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.194 8.402 -5.482 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.031 8.327 -6.639 1.00 0.00 C ATOM 1132 C LYS A 71 -7.881 7.067 -7.419 1.00 0.00 C ATOM 1133 O LYS A 71 -8.849 6.532 -7.959 1.00 0.00 O ATOM 1134 CB LYS A 71 -7.679 9.470 -7.605 1.00 0.00 C ATOM 1135 CG LYS A 71 -7.739 10.895 -7.051 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.049 11.810 -8.065 1.00 0.00 C ATOM 1137 CE LYS A 71 -7.157 13.322 -7.854 1.00 0.00 C ATOM 1138 NZ LYS A 71 -6.028 13.845 -7.054 1.00 0.00 N ATOM 0 H LYS A 71 -6.298 8.847 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.050 8.383 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.671 9.296 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.353 9.411 -8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.773 11.204 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.242 10.952 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.991 11.550 -8.085 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.452 11.580 -9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.181 13.824 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.097 13.553 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.387 14.513 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.546 13.057 -6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.356 14.333 -7.680 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.650 6.538 -7.535 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.401 5.273 -8.153 1.00 0.00 C ATOM 1154 C GLU A 72 -6.881 4.152 -7.296 1.00 0.00 C ATOM 1155 O GLU A 72 -7.242 3.091 -7.802 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.899 5.115 -8.442 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.336 6.105 -9.464 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.829 5.835 -10.878 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -4.533 4.738 -11.423 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -5.503 6.720 -11.471 1.00 0.00 O ATOM 0 H GLU A 72 -5.808 7.000 -7.191 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.952 5.239 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.349 5.227 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.716 4.102 -8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.615 7.118 -9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.247 6.057 -9.448 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.930 4.355 -5.968 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.948 3.288 -5.016 1.00 0.00 C ATOM 1169 C TYR A 73 -8.267 2.594 -4.992 1.00 0.00 C ATOM 1170 O TYR A 73 -8.336 1.368 -5.064 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.645 3.743 -3.578 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.324 2.568 -2.720 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -5.072 2.009 -2.831 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -7.238 2.035 -1.842 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.703 0.939 -2.050 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.882 0.942 -1.087 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.619 0.404 -1.176 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.235 -0.729 -0.428 1.00 0.00 O ATOM 0 H TYR A 73 -6.958 5.283 -5.545 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.159 2.614 -5.349 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.807 4.441 -3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.503 4.276 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.369 2.416 -3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.222 2.469 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.708 0.525 -2.122 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.603 0.500 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.688 -0.447 0.335 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.359 3.375 -4.911 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.686 2.863 -5.056 1.00 0.00 C ATOM 1190 C ILE A 74 -10.885 1.913 -6.187 1.00 0.00 C ATOM 1191 O ILE A 74 -11.405 0.812 -6.011 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.702 3.966 -5.086 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -13.133 3.405 -5.154 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.438 5.003 -6.190 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -14.246 4.406 -4.845 1.00 0.00 C ATOM 0 H ILE A 74 -9.320 4.380 -4.742 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.841 2.260 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.599 4.506 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.299 3.000 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.212 2.572 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.208 5.773 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.461 5.460 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.457 4.512 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.213 3.909 -4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -14.116 4.795 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.204 5.229 -5.559 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.407 2.265 -7.394 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.580 1.426 -8.539 1.00 0.00 C ATOM 1209 C ALA A 75 -9.697 0.228 -8.608 1.00 0.00 C ATOM 1210 O ALA A 75 -9.985 -0.713 -9.346 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.428 2.277 -9.811 1.00 0.00 C ATOM 0 H ALA A 75 -9.900 3.131 -7.577 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.584 1.011 -8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.558 1.645 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.182 3.064 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.435 2.726 -9.832 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.616 0.164 -7.811 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.856 -1.030 -7.608 1.00 0.00 C ATOM 1219 C LEU A 76 -8.602 -1.936 -6.689 1.00 0.00 C ATOM 1220 O LEU A 76 -8.954 -3.069 -7.014 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.494 -0.803 -6.930 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.498 0.063 -7.719 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.252 0.267 -6.841 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -5.132 -0.555 -9.079 1.00 0.00 C ATOM 0 H LEU A 76 -8.260 0.967 -7.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.696 -1.439 -8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.664 -0.337 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.035 -1.774 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.960 1.023 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.526 0.879 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.537 0.768 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.809 -0.701 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.426 0.095 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.677 -1.533 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.033 -0.666 -9.683 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.892 -1.455 -5.467 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.335 -2.287 -4.391 1.00 0.00 C ATOM 1238 C VAL A 77 -10.724 -2.778 -4.608 1.00 0.00 C ATOM 1239 O VAL A 77 -11.050 -3.881 -4.171 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.117 -1.611 -3.070 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.903 -2.301 -1.943 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.615 -1.802 -2.795 1.00 0.00 C ATOM 0 H VAL A 77 -8.817 -0.468 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.722 -3.188 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.442 -0.571 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.720 -1.783 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.968 -2.272 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.579 -3.338 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.357 -1.338 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.385 -2.867 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.037 -1.337 -3.594 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.603 -2.080 -5.349 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.902 -2.626 -5.595 1.00 0.00 C ATOM 1254 C ASP A 78 -12.895 -3.848 -6.446 1.00 0.00 C ATOM 1255 O ASP A 78 -13.632 -4.798 -6.185 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.873 -1.568 -6.145 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.835 -1.105 -5.060 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.631 -1.949 -4.570 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.821 0.100 -4.693 1.00 0.00 O ATOM 0 H ASP A 78 -11.424 -1.167 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.265 -2.947 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.311 -0.716 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.434 -1.982 -6.983 1.00 0.00 H new ATOM 1264 N GLN A 79 -12.017 -3.926 -7.462 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.887 -5.097 -8.273 1.00 0.00 C ATOM 1266 C GLN A 79 -11.079 -6.174 -7.636 1.00 0.00 C ATOM 1267 O GLN A 79 -11.119 -7.331 -8.053 1.00 0.00 O ATOM 1268 CB GLN A 79 -11.349 -4.780 -9.678 1.00 0.00 C ATOM 1269 CG GLN A 79 -9.916 -4.246 -9.714 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.427 -3.977 -11.130 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -10.187 -3.799 -12.081 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.077 -3.898 -11.277 1.00 0.00 N ATOM 0 H GLN A 79 -11.389 -3.166 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.903 -5.479 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.399 -5.685 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.006 -4.047 -10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.861 -3.325 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.252 -4.965 -9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.467 -4.049 -10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.675 -3.687 -12.190 1.00 0.00 H new ATOM 1281 N LEU A 80 -10.331 -5.841 -6.569 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.593 -6.724 -5.720 1.00 0.00 C ATOM 1283 C LEU A 80 -10.495 -7.348 -4.712 1.00 0.00 C ATOM 1284 O LEU A 80 -10.538 -8.572 -4.599 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.354 -6.002 -5.165 1.00 0.00 C ATOM 1286 CG LEU A 80 -7.332 -5.681 -6.268 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.217 -4.754 -5.754 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.682 -6.912 -6.922 1.00 0.00 C ATOM 0 H LEU A 80 -10.236 -4.869 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.194 -7.569 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.662 -5.078 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.883 -6.624 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.924 -5.183 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.513 -4.549 -6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.654 -3.818 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.693 -5.238 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.976 -6.588 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.155 -7.491 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.454 -7.531 -7.379 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.339 -6.592 -3.986 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.313 -7.119 -3.081 1.00 0.00 C ATOM 1302 C ILE A 81 -13.298 -8.013 -3.753 1.00 0.00 C ATOM 1303 O ILE A 81 -13.737 -9.006 -3.175 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.993 -6.008 -2.337 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.029 -5.393 -1.308 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.309 -6.421 -1.657 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.550 -4.126 -0.632 1.00 0.00 C ATOM 0 H ILE A 81 -11.343 -5.573 -4.032 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.783 -7.743 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.266 -5.265 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.813 -6.137 -0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.086 -5.164 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.737 -5.562 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.011 -6.779 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.113 -7.216 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.807 -3.760 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.738 -3.362 -1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.477 -4.350 -0.104 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.616 -7.771 -5.037 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.349 -8.685 -5.857 1.00 0.00 C ATOM 1321 C ALA A 82 -13.769 -10.054 -5.953 1.00 0.00 C ATOM 1322 O ALA A 82 -14.499 -11.039 -6.058 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.532 -8.088 -7.263 1.00 0.00 C ATOM 0 H ALA A 82 -13.355 -6.912 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.310 -8.818 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.091 -8.787 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.080 -7.148 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.555 -7.905 -7.711 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.435 -10.208 -5.887 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.770 -11.474 -5.856 1.00 0.00 C ATOM 1331 C LYS A 83 -11.672 -11.961 -4.452 1.00 0.00 C ATOM 1332 O LYS A 83 -11.728 -13.159 -4.180 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.331 -11.366 -6.389 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.196 -10.814 -7.810 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.727 -10.685 -8.214 1.00 0.00 C ATOM 1336 CE LYS A 83 -8.522 -9.627 -9.301 1.00 0.00 C ATOM 1337 NZ LYS A 83 -7.094 -9.474 -9.657 1.00 0.00 N ATOM 0 H LYS A 83 -11.792 -9.417 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.351 -12.155 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.759 -10.729 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.875 -12.355 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.712 -11.472 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.680 -9.839 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.132 -10.425 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.364 -11.648 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.090 -9.904 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.915 -8.671 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.866 -8.464 -9.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.503 -9.896 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.908 -9.955 -10.560 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.481 -11.023 -3.506 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.895 -11.306 -2.233 1.00 0.00 C ATOM 1353 C TYR A 84 -11.844 -11.364 -1.086 1.00 0.00 C ATOM 1354 O TYR A 84 -11.493 -11.911 -0.042 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.786 -10.289 -1.912 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.626 -10.284 -2.847 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.062 -11.438 -3.339 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -8.031 -9.088 -3.173 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.933 -11.412 -4.124 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.907 -9.041 -3.964 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.354 -10.206 -4.441 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.155 -10.152 -5.184 1.00 0.00 O ATOM 0 H TYR A 84 -11.740 -10.044 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.494 -12.314 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.225 -9.291 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.417 -10.486 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.517 -12.389 -3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.455 -8.167 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.504 -12.333 -4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.459 -8.090 -4.210 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.361 -9.963 -6.123 1.00 0.00 H new ATOM 1372 N SER A 85 -13.077 -10.837 -1.188 1.00 0.00 N ATOM 1373 CA SER A 85 -14.061 -10.883 -0.151 1.00 0.00 C ATOM 1374 C SER A 85 -14.255 -12.196 0.526 1.00 0.00 C ATOM 1375 O SER A 85 -14.153 -12.293 1.748 1.00 0.00 O ATOM 1376 CB SER A 85 -15.403 -10.214 -0.494 1.00 0.00 C ATOM 1377 OG SER A 85 -16.311 -11.031 -1.218 1.00 0.00 O ATOM 0 H SER A 85 -13.402 -10.359 -2.028 1.00 0.00 H new ATOM 0 HA SER A 85 -13.583 -10.253 0.599 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.882 -9.897 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.205 -9.313 -1.075 1.00 0.00 H new ATOM 0 HG SER A 85 -17.135 -10.530 -1.392 1.00 0.00 H new ATOM 1383 N SER A 86 -14.566 -13.266 -0.228 1.00 0.00 N ATOM 1384 CA SER A 86 -14.675 -14.584 0.315 1.00 0.00 C ATOM 1385 C SER A 86 -14.398 -15.626 -0.759 1.00 0.00 C ATOM 1386 O SER A 86 -14.790 -15.425 -1.940 1.00 0.00 O ATOM 1387 CB SER A 86 -16.063 -14.850 0.922 1.00 0.00 C ATOM 1388 OG SER A 86 -16.113 -16.072 1.643 1.00 0.00 O ATOM 1389 OXT SER A 86 -13.803 -16.690 -0.441 1.00 0.00 O ATOM 0 H SER A 86 -14.745 -13.215 -1.231 1.00 0.00 H new ATOM 0 HA SER A 86 -13.933 -14.658 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.330 -14.028 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.807 -14.870 0.126 1.00 0.00 H new ATOM 0 HG SER A 86 -17.012 -16.198 2.011 1.00 0.00 H new TER 1395 SER A 86