USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 990 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 57 ASN : amide:sc= 0.234 K(o=3.8,f=3) USER MOD Set 1.2: A 92 SER OG : rot -50:sc= 1.27 USER MOD Set 1.3: A 114 LYS NZ :NH3+ 163:sc= 2.26 (180deg=1.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 51:sc= 0.169 USER MOD Single : A 19 ASN : amide:sc= -0.827 K(o=-0.83,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= -0.149 (180deg=-2.03!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -114:sc= -0.676 (180deg=-2.09!) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc=-0.00425 (180deg=-0.0897) USER MOD Single : A 36 MET CE :methyl 164:sc= -0.637 (180deg=-0.851) USER MOD Single : A 38 ASN : amide:sc= -0.685 K(o=-0.69,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 42 ASN : amide:sc= -0.644 K(o=-0.64,f=-5.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 59:sc= 0.128 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= -3.58! (180deg=-3.78!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00381 USER MOD Single : A 69 ASN : amide:sc= -0.644 K(o=-0.64,f=-7.6!) USER MOD Single : A 71 LYS NZ :NH3+ -158:sc= 0.46 (180deg=-0.0299) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 145:sc= -1.13! (180deg=-4.12!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.328 K(o=-0.33,f=-3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 140:sc= -0.0255 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.28) USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= -5.89! (180deg=-6.26!) USER MOD Single : A 112 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.8!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 120 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -147:sc= -0.77 (180deg=-2.26!) USER MOD Single : A 128 THR OG1 : rot 72:sc= 0.593 USER MOD Single : A 131 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.29) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -19.704 3.986 -2.394 1.00 0.00 N ATOM 2 CA GLY A 15 -20.666 3.871 -1.272 1.00 0.00 C ATOM 3 C GLY A 15 -20.008 3.364 -0.010 1.00 0.00 C ATOM 4 O GLY A 15 -18.793 3.162 0.020 1.00 0.00 O ATOM 0 HA2 GLY A 15 -21.116 4.845 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -21.474 3.197 -1.555 1.00 0.00 H new ATOM 10 N SER A 16 -20.805 3.146 1.027 1.00 0.00 N ATOM 11 CA SER A 16 -20.287 2.682 2.305 1.00 0.00 C ATOM 12 C SER A 16 -19.645 1.307 2.152 1.00 0.00 C ATOM 13 O SER A 16 -20.327 0.315 1.884 1.00 0.00 O ATOM 14 CB SER A 16 -21.410 2.637 3.340 1.00 0.00 C ATOM 15 OG SER A 16 -22.028 3.908 3.477 1.00 0.00 O ATOM 0 H SER A 16 -21.815 3.284 1.007 1.00 0.00 H new ATOM 0 HA SER A 16 -19.523 3.380 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.154 1.897 3.043 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.010 2.318 4.302 1.00 0.00 H new ATOM 0 HG SER A 16 -22.744 3.853 4.143 1.00 0.00 H new ATOM 21 N SER A 17 -18.332 1.261 2.298 1.00 0.00 N ATOM 22 CA SER A 17 -17.583 0.032 2.106 1.00 0.00 C ATOM 23 C SER A 17 -17.055 -0.483 3.442 1.00 0.00 C ATOM 24 O SER A 17 -17.304 0.128 4.483 1.00 0.00 O ATOM 25 CB SER A 17 -16.432 0.282 1.132 1.00 0.00 C ATOM 26 OG SER A 17 -16.891 0.982 -0.015 1.00 0.00 O ATOM 0 H SER A 17 -17.760 2.067 2.551 1.00 0.00 H new ATOM 0 HA SER A 17 -18.242 -0.728 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.649 0.857 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.989 -0.668 0.832 1.00 0.00 H new ATOM 0 HG SER A 17 -17.402 1.770 0.265 1.00 0.00 H new ATOM 32 N GLY A 18 -16.344 -1.605 3.411 1.00 0.00 N ATOM 33 CA GLY A 18 -15.781 -2.165 4.625 1.00 0.00 C ATOM 34 C GLY A 18 -14.875 -1.184 5.340 1.00 0.00 C ATOM 35 O GLY A 18 -14.014 -0.559 4.720 1.00 0.00 O ATOM 0 H GLY A 18 -16.147 -2.138 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.588 -2.465 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.218 -3.066 4.381 1.00 0.00 H new ATOM 39 N ASN A 19 -15.080 -1.034 6.640 1.00 0.00 N ATOM 40 CA ASN A 19 -14.289 -0.101 7.431 1.00 0.00 C ATOM 41 C ASN A 19 -12.855 -0.589 7.549 1.00 0.00 C ATOM 42 O ASN A 19 -12.608 -1.792 7.601 1.00 0.00 O ATOM 43 CB ASN A 19 -14.892 0.086 8.828 1.00 0.00 C ATOM 44 CG ASN A 19 -16.315 0.619 8.802 1.00 0.00 C ATOM 45 OD1 ASN A 19 -17.122 0.295 9.672 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.636 1.437 7.811 1.00 0.00 N ATOM 0 H ASN A 19 -15.786 -1.545 7.170 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.298 0.862 6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.879 -0.869 9.353 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.265 0.772 9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.579 1.821 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -15.940 1.683 7.107 1.00 0.00 H new ATOM 53 N PRO A 20 -11.895 0.342 7.603 1.00 0.00 N ATOM 54 CA PRO A 20 -10.466 0.015 7.638 1.00 0.00 C ATOM 55 C PRO A 20 -10.112 -0.899 8.804 1.00 0.00 C ATOM 56 O PRO A 20 -9.357 -1.856 8.648 1.00 0.00 O ATOM 57 CB PRO A 20 -9.784 1.375 7.801 1.00 0.00 C ATOM 58 CG PRO A 20 -10.791 2.374 7.343 1.00 0.00 C ATOM 59 CD PRO A 20 -12.133 1.791 7.648 1.00 0.00 C ATOM 0 HA PRO A 20 -10.154 -0.525 6.744 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.498 1.551 8.838 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.873 1.433 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.655 3.326 7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.686 2.570 6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.496 2.108 8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.880 2.098 6.916 1.00 0.00 H new ATOM 67 N GLU A 21 -10.682 -0.602 9.968 1.00 0.00 N ATOM 68 CA GLU A 21 -10.435 -1.388 11.176 1.00 0.00 C ATOM 69 C GLU A 21 -10.825 -2.856 10.983 1.00 0.00 C ATOM 70 O GLU A 21 -10.184 -3.757 11.530 1.00 0.00 O ATOM 71 CB GLU A 21 -11.206 -0.798 12.359 1.00 0.00 C ATOM 72 CG GLU A 21 -11.065 -1.606 13.635 1.00 0.00 C ATOM 73 CD GLU A 21 -11.813 -1.001 14.804 1.00 0.00 C ATOM 74 OE1 GLU A 21 -11.440 0.104 15.245 1.00 0.00 O ATOM 75 OE2 GLU A 21 -12.764 -1.638 15.304 1.00 0.00 O ATOM 0 H GLU A 21 -11.322 0.181 10.102 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.366 -1.347 11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.856 0.218 12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.262 -0.729 12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.432 -2.617 13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.009 -1.690 13.891 1.00 0.00 H new ATOM 82 N ASP A 22 -11.865 -3.090 10.193 1.00 0.00 N ATOM 83 CA ASP A 22 -12.361 -4.444 9.951 1.00 0.00 C ATOM 84 C ASP A 22 -11.390 -5.252 9.097 1.00 0.00 C ATOM 85 O ASP A 22 -11.501 -6.475 9.007 1.00 0.00 O ATOM 86 CB ASP A 22 -13.739 -4.413 9.287 1.00 0.00 C ATOM 87 CG ASP A 22 -14.841 -4.049 10.257 1.00 0.00 C ATOM 88 OD1 ASP A 22 -15.204 -4.903 11.095 1.00 0.00 O ATOM 89 OD2 ASP A 22 -15.365 -2.918 10.179 1.00 0.00 O ATOM 0 H ASP A 22 -12.384 -2.359 9.706 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.449 -4.932 10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.728 -3.694 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.951 -5.389 8.851 1.00 0.00 H new ATOM 94 N PHE A 23 -10.445 -4.572 8.469 1.00 0.00 N ATOM 95 CA PHE A 23 -9.397 -5.246 7.727 1.00 0.00 C ATOM 96 C PHE A 23 -8.330 -5.728 8.689 1.00 0.00 C ATOM 97 O PHE A 23 -8.032 -5.071 9.689 1.00 0.00 O ATOM 98 CB PHE A 23 -8.767 -4.310 6.692 1.00 0.00 C ATOM 99 CG PHE A 23 -9.638 -4.032 5.500 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.575 -3.012 5.530 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.513 -4.790 4.346 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.370 -2.753 4.432 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.306 -4.532 3.245 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.236 -3.514 3.288 1.00 0.00 C ATOM 0 H PHE A 23 -10.384 -3.554 8.459 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.836 -6.094 7.201 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.521 -3.365 7.176 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.829 -4.746 6.348 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.684 -2.413 6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.789 -5.590 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.097 -1.955 4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.198 -5.127 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.858 -3.313 2.428 1.00 0.00 H new ATOM 114 N LYS A 24 -7.755 -6.874 8.390 1.00 0.00 N ATOM 115 CA LYS A 24 -6.705 -7.433 9.217 1.00 0.00 C ATOM 116 C LYS A 24 -5.402 -6.724 8.896 1.00 0.00 C ATOM 117 O LYS A 24 -4.448 -6.753 9.670 1.00 0.00 O ATOM 118 CB LYS A 24 -6.569 -8.937 8.983 1.00 0.00 C ATOM 119 CG LYS A 24 -5.671 -9.619 10.000 1.00 0.00 C ATOM 120 CD LYS A 24 -6.269 -9.570 11.397 1.00 0.00 C ATOM 121 CE LYS A 24 -5.328 -10.170 12.425 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.887 -10.090 13.798 1.00 0.00 N ATOM 0 H LYS A 24 -7.998 -7.439 7.577 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.955 -7.286 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.558 -9.395 9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.171 -9.109 7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.512 -10.657 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.694 -9.136 10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.490 -8.536 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.215 -10.111 11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.131 -11.212 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.372 -9.648 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.215 -10.510 14.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.051 -9.094 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.787 -10.610 13.837 1.00 0.00 H new ATOM 136 N VAL A 25 -5.387 -6.072 7.741 1.00 0.00 N ATOM 137 CA VAL A 25 -4.237 -5.309 7.312 1.00 0.00 C ATOM 138 C VAL A 25 -4.148 -3.989 8.074 1.00 0.00 C ATOM 139 O VAL A 25 -3.137 -3.312 8.025 1.00 0.00 O ATOM 140 CB VAL A 25 -4.279 -5.024 5.791 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.910 -6.181 5.039 1.00 0.00 C ATOM 142 CG2 VAL A 25 -5.003 -3.721 5.478 1.00 0.00 C ATOM 0 H VAL A 25 -6.168 -6.061 7.085 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.354 -5.910 7.528 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.248 -4.915 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.927 -5.956 3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.327 -7.086 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.929 -6.333 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.010 -3.559 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.028 -3.778 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.489 -2.893 5.966 1.00 0.00 H new ATOM 152 N PHE A 26 -5.212 -3.633 8.787 1.00 0.00 N ATOM 153 CA PHE A 26 -5.250 -2.372 9.520 1.00 0.00 C ATOM 154 C PHE A 26 -4.110 -2.300 10.535 1.00 0.00 C ATOM 155 O PHE A 26 -3.345 -1.336 10.557 1.00 0.00 O ATOM 156 CB PHE A 26 -6.600 -2.212 10.221 1.00 0.00 C ATOM 157 CG PHE A 26 -6.778 -0.892 10.912 1.00 0.00 C ATOM 158 CD1 PHE A 26 -7.087 0.246 10.186 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.646 -0.792 12.287 1.00 0.00 C ATOM 160 CE1 PHE A 26 -7.263 1.460 10.819 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.818 0.420 12.925 1.00 0.00 C ATOM 162 CZ PHE A 26 -7.128 1.548 12.189 1.00 0.00 C ATOM 0 H PHE A 26 -6.057 -4.198 8.873 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.123 -1.555 8.809 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.396 -2.336 9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.714 -3.012 10.953 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.191 0.183 9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.406 -1.671 12.866 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.506 2.340 10.242 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.710 0.487 13.998 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.264 2.497 12.686 1.00 0.00 H new ATOM 172 N LYS A 27 -3.990 -3.335 11.358 1.00 0.00 N ATOM 173 CA LYS A 27 -2.938 -3.396 12.367 1.00 0.00 C ATOM 174 C LYS A 27 -1.572 -3.580 11.716 1.00 0.00 C ATOM 175 O LYS A 27 -0.556 -3.166 12.266 1.00 0.00 O ATOM 176 CB LYS A 27 -3.222 -4.535 13.344 1.00 0.00 C ATOM 177 CG LYS A 27 -3.230 -4.096 14.803 1.00 0.00 C ATOM 178 CD LYS A 27 -1.847 -3.708 15.301 1.00 0.00 C ATOM 179 CE LYS A 27 -0.880 -4.870 15.216 1.00 0.00 C ATOM 180 NZ LYS A 27 0.379 -4.609 15.965 1.00 0.00 N ATOM 0 H LYS A 27 -4.609 -4.145 11.347 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.926 -2.453 12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.187 -4.979 13.101 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.470 -5.313 13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.906 -3.249 14.921 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.622 -4.905 15.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.468 -2.874 14.711 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.914 -3.364 16.333 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.357 -5.767 15.611 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.644 -5.069 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.184 -5.003 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.509 -3.583 16.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.325 -5.058 16.902 1.00 0.00 H new ATOM 194 N TYR A 28 -1.554 -4.183 10.537 1.00 0.00 N ATOM 195 CA TYR A 28 -0.304 -4.436 9.834 1.00 0.00 C ATOM 196 C TYR A 28 0.202 -3.189 9.112 1.00 0.00 C ATOM 197 O TYR A 28 1.350 -2.803 9.279 1.00 0.00 O ATOM 198 CB TYR A 28 -0.465 -5.591 8.852 1.00 0.00 C ATOM 199 CG TYR A 28 -0.324 -6.953 9.492 1.00 0.00 C ATOM 200 CD1 TYR A 28 0.925 -7.537 9.624 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.428 -7.649 9.963 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.078 -8.777 10.205 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.285 -8.894 10.548 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.030 -9.454 10.667 1.00 0.00 C ATOM 205 OH TYR A 28 0.119 -10.692 11.252 1.00 0.00 O ATOM 0 H TYR A 28 -2.388 -4.506 10.047 1.00 0.00 H new ATOM 0 HA TYR A 28 0.441 -4.710 10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.444 -5.521 8.379 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.279 -5.491 8.062 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.796 -7.010 9.264 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.412 -7.213 9.872 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.060 -9.216 10.298 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.152 -9.426 10.910 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.759 -11.033 11.524 1.00 0.00 H new ATOM 215 N MET A 29 -0.652 -2.567 8.313 1.00 0.00 N ATOM 216 CA MET A 29 -0.302 -1.340 7.605 1.00 0.00 C ATOM 217 C MET A 29 0.077 -0.229 8.578 1.00 0.00 C ATOM 218 O MET A 29 0.970 0.570 8.302 1.00 0.00 O ATOM 219 CB MET A 29 -1.466 -0.886 6.716 1.00 0.00 C ATOM 220 CG MET A 29 -1.503 -1.566 5.354 1.00 0.00 C ATOM 221 SD MET A 29 -1.412 -3.362 5.439 1.00 0.00 S ATOM 222 CE MET A 29 -1.448 -3.766 3.697 1.00 0.00 C ATOM 0 H MET A 29 -1.602 -2.894 8.136 1.00 0.00 H new ATOM 0 HA MET A 29 0.564 -1.552 6.978 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.404 -1.082 7.235 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.401 0.192 6.571 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.421 -1.281 4.841 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.673 -1.197 4.751 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.369 -4.301 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.404 -2.849 3.110 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.592 -4.395 3.452 1.00 0.00 H new ATOM 232 N LYS A 30 -0.592 -0.187 9.723 1.00 0.00 N ATOM 233 CA LYS A 30 -0.303 0.823 10.725 1.00 0.00 C ATOM 234 C LYS A 30 1.066 0.610 11.368 1.00 0.00 C ATOM 235 O LYS A 30 1.724 1.570 11.768 1.00 0.00 O ATOM 236 CB LYS A 30 -1.399 0.857 11.788 1.00 0.00 C ATOM 237 CG LYS A 30 -2.182 2.157 11.777 1.00 0.00 C ATOM 238 CD LYS A 30 -1.293 3.342 12.085 1.00 0.00 C ATOM 239 CE LYS A 30 -2.029 4.644 11.863 1.00 0.00 C ATOM 240 NZ LYS A 30 -3.239 4.762 12.714 1.00 0.00 N ATOM 0 H LYS A 30 -1.334 -0.838 9.978 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.279 1.788 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.083 0.024 11.626 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.951 0.715 12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.648 2.294 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.987 2.104 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.951 3.285 13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.406 3.309 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.358 5.477 12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.317 4.721 10.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.642 5.716 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.943 4.056 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.982 4.597 13.708 1.00 0.00 H new ATOM 254 N ILE A 31 1.500 -0.639 11.477 1.00 0.00 N ATOM 255 CA ILE A 31 2.830 -0.912 12.005 1.00 0.00 C ATOM 256 C ILE A 31 3.848 -0.956 10.875 1.00 0.00 C ATOM 257 O ILE A 31 5.044 -0.873 11.111 1.00 0.00 O ATOM 258 CB ILE A 31 2.895 -2.216 12.824 1.00 0.00 C ATOM 259 CG1 ILE A 31 2.695 -3.441 11.930 1.00 0.00 C ATOM 260 CG2 ILE A 31 1.861 -2.178 13.937 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.555 -4.737 12.700 1.00 0.00 C ATOM 0 H ILE A 31 0.963 -1.465 11.213 1.00 0.00 H new ATOM 0 HA ILE A 31 3.070 -0.096 12.686 1.00 0.00 H new ATOM 0 HB ILE A 31 3.886 -2.298 13.269 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.804 -3.293 11.319 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.540 -3.524 11.247 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.912 -3.102 14.512 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.063 -1.331 14.593 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.866 -2.073 13.505 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.416 -5.562 12.001 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.455 -4.909 13.290 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.693 -4.675 13.364 1.00 0.00 H new ATOM 273 N LEU A 32 3.356 -1.095 9.651 1.00 0.00 N ATOM 274 CA LEU A 32 4.185 -0.971 8.460 1.00 0.00 C ATOM 275 C LEU A 32 4.769 0.430 8.429 1.00 0.00 C ATOM 276 O LEU A 32 5.972 0.614 8.220 1.00 0.00 O ATOM 277 CB LEU A 32 3.331 -1.238 7.208 1.00 0.00 C ATOM 278 CG LEU A 32 4.083 -1.400 5.879 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.157 -1.997 4.831 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.626 -0.068 5.387 1.00 0.00 C ATOM 0 H LEU A 32 2.375 -1.296 9.456 1.00 0.00 H new ATOM 0 HA LEU A 32 4.996 -1.699 8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.748 -2.143 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.622 -0.418 7.099 1.00 0.00 H new ATOM 0 HG LEU A 32 4.926 -2.070 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.696 -2.109 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.808 -2.973 5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.302 -1.337 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.153 -0.216 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.801 0.628 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.314 0.340 6.127 1.00 0.00 H new ATOM 292 N GLU A 33 3.891 1.405 8.658 1.00 0.00 N ATOM 293 CA GLU A 33 4.271 2.802 8.766 1.00 0.00 C ATOM 294 C GLU A 33 5.449 2.963 9.712 1.00 0.00 C ATOM 295 O GLU A 33 6.436 3.634 9.405 1.00 0.00 O ATOM 296 CB GLU A 33 3.093 3.607 9.293 1.00 0.00 C ATOM 297 CG GLU A 33 3.046 4.999 8.723 1.00 0.00 C ATOM 298 CD GLU A 33 1.898 5.831 9.244 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.778 5.990 10.476 1.00 0.00 O ATOM 300 OE2 GLU A 33 1.122 6.355 8.414 1.00 0.00 O ATOM 0 H GLU A 33 2.891 1.241 8.774 1.00 0.00 H new ATOM 0 HA GLU A 33 4.559 3.163 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.165 3.088 9.052 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.153 3.665 10.380 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.983 5.507 8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.973 4.935 7.637 1.00 0.00 H new ATOM 307 N GLU A 34 5.317 2.342 10.868 1.00 0.00 N ATOM 308 CA GLU A 34 6.363 2.334 11.871 1.00 0.00 C ATOM 309 C GLU A 34 7.600 1.596 11.368 1.00 0.00 C ATOM 310 O GLU A 34 8.662 2.183 11.221 1.00 0.00 O ATOM 311 CB GLU A 34 5.841 1.667 13.147 1.00 0.00 C ATOM 312 CG GLU A 34 6.926 1.343 14.159 1.00 0.00 C ATOM 313 CD GLU A 34 6.383 0.641 15.383 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.780 1.315 16.242 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.553 -0.592 15.487 1.00 0.00 O ATOM 0 H GLU A 34 4.479 1.827 11.138 1.00 0.00 H new ATOM 0 HA GLU A 34 6.647 3.365 12.084 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.106 2.323 13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.322 0.747 12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.682 0.714 13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.422 2.265 14.463 1.00 0.00 H new ATOM 322 N ALA A 35 7.414 0.321 11.057 1.00 0.00 N ATOM 323 CA ALA A 35 8.505 -0.621 10.817 1.00 0.00 C ATOM 324 C ALA A 35 9.478 -0.150 9.743 1.00 0.00 C ATOM 325 O ALA A 35 10.693 -0.212 9.936 1.00 0.00 O ATOM 326 CB ALA A 35 7.932 -1.978 10.449 1.00 0.00 C ATOM 0 H ALA A 35 6.488 -0.097 10.962 1.00 0.00 H new ATOM 0 HA ALA A 35 9.078 -0.692 11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.746 -2.680 10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.310 -2.344 11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.328 -1.885 9.546 1.00 0.00 H new ATOM 332 N MET A 36 8.947 0.317 8.619 1.00 0.00 N ATOM 333 CA MET A 36 9.776 0.747 7.502 1.00 0.00 C ATOM 334 C MET A 36 10.773 1.829 7.903 1.00 0.00 C ATOM 335 O MET A 36 11.941 1.776 7.513 1.00 0.00 O ATOM 336 CB MET A 36 8.901 1.228 6.345 1.00 0.00 C ATOM 337 CG MET A 36 8.339 0.088 5.521 1.00 0.00 C ATOM 338 SD MET A 36 7.617 0.638 3.962 1.00 0.00 S ATOM 339 CE MET A 36 7.301 -0.932 3.160 1.00 0.00 C ATOM 0 H MET A 36 7.944 0.407 8.458 1.00 0.00 H new ATOM 0 HA MET A 36 10.355 -0.118 7.178 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.079 1.824 6.741 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.487 1.882 5.700 1.00 0.00 H new ATOM 0 HG2 MET A 36 9.133 -0.630 5.315 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.580 -0.434 6.103 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.610 -0.784 2.330 1.00 0.00 H new ATOM 0 HE2 MET A 36 8.238 -1.343 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.863 -1.626 3.878 1.00 0.00 H new ATOM 349 N GLU A 37 10.323 2.805 8.676 1.00 0.00 N ATOM 350 CA GLU A 37 11.205 3.887 9.101 1.00 0.00 C ATOM 351 C GLU A 37 11.847 3.554 10.451 1.00 0.00 C ATOM 352 O GLU A 37 12.855 4.142 10.837 1.00 0.00 O ATOM 353 CB GLU A 37 10.433 5.209 9.154 1.00 0.00 C ATOM 354 CG GLU A 37 11.309 6.447 8.982 1.00 0.00 C ATOM 355 CD GLU A 37 11.770 7.042 10.297 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.923 7.583 11.039 1.00 0.00 O ATOM 357 OE2 GLU A 37 12.980 6.981 10.592 1.00 0.00 O ATOM 0 H GLU A 37 9.365 2.873 9.020 1.00 0.00 H new ATOM 0 HA GLU A 37 12.008 3.999 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.671 5.204 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.912 5.275 10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.182 6.186 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.754 7.202 8.424 1.00 0.00 H new ATOM 364 N ASN A 38 11.268 2.581 11.150 1.00 0.00 N ATOM 365 CA ASN A 38 11.762 2.155 12.459 1.00 0.00 C ATOM 366 C ASN A 38 13.158 1.568 12.326 1.00 0.00 C ATOM 367 O ASN A 38 13.963 1.629 13.257 1.00 0.00 O ATOM 368 CB ASN A 38 10.816 1.115 13.077 1.00 0.00 C ATOM 369 CG ASN A 38 11.223 0.680 14.478 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.039 -0.480 14.855 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.753 1.603 15.266 1.00 0.00 N ATOM 0 H ASN A 38 10.448 2.067 10.828 1.00 0.00 H new ATOM 0 HA ASN A 38 11.802 3.026 13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.808 1.528 13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.779 0.239 12.430 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.024 1.365 16.220 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.890 2.552 14.919 1.00 0.00 H new ATOM 378 N ASP A 39 13.436 0.999 11.162 1.00 0.00 N ATOM 379 CA ASP A 39 14.757 0.475 10.868 1.00 0.00 C ATOM 380 C ASP A 39 15.777 1.605 10.930 1.00 0.00 C ATOM 381 O ASP A 39 15.621 2.637 10.274 1.00 0.00 O ATOM 382 CB ASP A 39 14.779 -0.182 9.487 1.00 0.00 C ATOM 383 CG ASP A 39 16.033 -1.002 9.264 1.00 0.00 C ATOM 384 OD1 ASP A 39 17.127 -0.416 9.185 1.00 0.00 O ATOM 385 OD2 ASP A 39 15.928 -2.243 9.192 1.00 0.00 O ATOM 0 H ASP A 39 12.761 0.889 10.405 1.00 0.00 H new ATOM 0 HA ASP A 39 15.012 -0.282 11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.904 -0.822 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.709 0.588 8.719 1.00 0.00 H new ATOM 390 N THR A 40 16.813 1.405 11.726 1.00 0.00 N ATOM 391 CA THR A 40 17.807 2.437 11.976 1.00 0.00 C ATOM 392 C THR A 40 18.645 2.746 10.739 1.00 0.00 C ATOM 393 O THR A 40 19.298 3.788 10.671 1.00 0.00 O ATOM 394 CB THR A 40 18.727 2.035 13.139 1.00 0.00 C ATOM 395 OG1 THR A 40 19.112 0.659 13.004 1.00 0.00 O ATOM 396 CG2 THR A 40 18.031 2.249 14.474 1.00 0.00 C ATOM 0 H THR A 40 16.989 0.528 12.216 1.00 0.00 H new ATOM 0 HA THR A 40 17.260 3.342 12.242 1.00 0.00 H new ATOM 0 HB THR A 40 19.617 2.663 13.109 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.700 0.409 13.747 1.00 0.00 H new ATOM 0 HG21 THR A 40 18.700 1.958 15.284 1.00 0.00 H new ATOM 0 HG22 THR A 40 17.767 3.301 14.582 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.127 1.642 14.514 1.00 0.00 H new ATOM 404 N GLU A 41 18.617 1.852 9.760 1.00 0.00 N ATOM 405 CA GLU A 41 19.331 2.072 8.510 1.00 0.00 C ATOM 406 C GLU A 41 18.398 2.698 7.482 1.00 0.00 C ATOM 407 O GLU A 41 18.836 3.042 6.382 1.00 0.00 O ATOM 408 CB GLU A 41 19.897 0.756 7.967 1.00 0.00 C ATOM 409 CG GLU A 41 20.944 0.122 8.867 1.00 0.00 C ATOM 410 CD GLU A 41 21.405 -1.230 8.361 1.00 0.00 C ATOM 411 OE1 GLU A 41 20.744 -2.242 8.677 1.00 0.00 O ATOM 412 OE2 GLU A 41 22.429 -1.293 7.650 1.00 0.00 O ATOM 0 H GLU A 41 18.108 0.969 9.807 1.00 0.00 H new ATOM 0 HA GLU A 41 20.162 2.750 8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.078 0.050 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.336 0.937 6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.803 0.789 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.535 0.010 9.871 1.00 0.00 H new ATOM 419 N ASN A 42 17.118 2.851 7.881 1.00 0.00 N ATOM 420 CA ASN A 42 16.032 3.375 7.034 1.00 0.00 C ATOM 421 C ASN A 42 16.305 3.184 5.548 1.00 0.00 C ATOM 422 O ASN A 42 16.586 4.132 4.812 1.00 0.00 O ATOM 423 CB ASN A 42 15.665 4.848 7.355 1.00 0.00 C ATOM 424 CG ASN A 42 16.802 5.856 7.222 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.970 5.559 7.467 1.00 0.00 O ATOM 426 ND2 ASN A 42 16.456 7.074 6.829 1.00 0.00 N ATOM 0 H ASN A 42 16.807 2.608 8.821 1.00 0.00 H new ATOM 0 HA ASN A 42 15.158 2.773 7.283 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.854 5.153 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.281 4.894 8.374 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.168 7.797 6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 42 15.478 7.288 6.634 1.00 0.00 H new ATOM 433 N LEU A 43 16.195 1.932 5.114 1.00 0.00 N ATOM 434 CA LEU A 43 16.431 1.565 3.723 1.00 0.00 C ATOM 435 C LEU A 43 15.401 2.222 2.814 1.00 0.00 C ATOM 436 O LEU A 43 15.523 2.188 1.590 1.00 0.00 O ATOM 437 CB LEU A 43 16.374 0.043 3.560 1.00 0.00 C ATOM 438 CG LEU A 43 17.315 -0.745 4.475 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.189 -2.237 4.214 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.753 -0.291 4.285 1.00 0.00 C ATOM 0 H LEU A 43 15.941 1.147 5.714 1.00 0.00 H new ATOM 0 HA LEU A 43 17.423 1.917 3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.352 -0.288 3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.608 -0.205 2.525 1.00 0.00 H new ATOM 0 HG LEU A 43 17.028 -0.551 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.866 -2.780 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.164 -2.554 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.447 -2.448 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.405 -0.863 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.052 -0.453 3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.835 0.769 4.525 1.00 0.00 H new ATOM 452 N ILE A 44 14.399 2.839 3.433 1.00 0.00 N ATOM 453 CA ILE A 44 13.347 3.534 2.713 1.00 0.00 C ATOM 454 C ILE A 44 13.932 4.667 1.864 1.00 0.00 C ATOM 455 O ILE A 44 13.386 5.020 0.826 1.00 0.00 O ATOM 456 CB ILE A 44 12.285 4.101 3.688 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.952 4.283 2.972 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.733 5.425 4.296 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.122 3.021 2.885 1.00 0.00 C ATOM 0 H ILE A 44 14.297 2.869 4.447 1.00 0.00 H new ATOM 0 HA ILE A 44 12.862 2.812 2.056 1.00 0.00 H new ATOM 0 HB ILE A 44 12.164 3.382 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.375 5.050 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.140 4.652 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.963 5.793 4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.662 5.277 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.895 6.154 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.190 3.234 2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.677 2.257 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.900 2.661 3.890 1.00 0.00 H new ATOM 471 N GLU A 45 15.067 5.213 2.306 1.00 0.00 N ATOM 472 CA GLU A 45 15.727 6.303 1.597 1.00 0.00 C ATOM 473 C GLU A 45 16.337 5.823 0.288 1.00 0.00 C ATOM 474 O GLU A 45 16.463 6.585 -0.670 1.00 0.00 O ATOM 475 CB GLU A 45 16.813 6.930 2.469 1.00 0.00 C ATOM 476 CG GLU A 45 16.264 7.779 3.599 1.00 0.00 C ATOM 477 CD GLU A 45 15.396 8.909 3.093 1.00 0.00 C ATOM 478 OE1 GLU A 45 15.925 9.809 2.408 1.00 0.00 O ATOM 479 OE2 GLU A 45 14.181 8.898 3.365 1.00 0.00 O ATOM 0 H GLU A 45 15.547 4.914 3.155 1.00 0.00 H new ATOM 0 HA GLU A 45 14.969 7.053 1.371 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.434 6.138 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.460 7.545 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.683 7.151 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.091 8.189 4.178 1.00 0.00 H new ATOM 486 N LYS A 46 16.698 4.553 0.248 1.00 0.00 N ATOM 487 CA LYS A 46 17.355 3.986 -0.917 1.00 0.00 C ATOM 488 C LYS A 46 16.332 3.540 -1.949 1.00 0.00 C ATOM 489 O LYS A 46 16.663 3.300 -3.108 1.00 0.00 O ATOM 490 CB LYS A 46 18.242 2.820 -0.498 1.00 0.00 C ATOM 491 CG LYS A 46 19.447 3.279 0.302 1.00 0.00 C ATOM 492 CD LYS A 46 20.256 2.116 0.849 1.00 0.00 C ATOM 493 CE LYS A 46 21.466 2.611 1.625 1.00 0.00 C ATOM 494 NZ LYS A 46 22.327 1.496 2.095 1.00 0.00 N ATOM 0 H LYS A 46 16.547 3.893 1.011 1.00 0.00 H new ATOM 0 HA LYS A 46 17.979 4.754 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.659 2.117 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.579 2.284 -1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.085 3.897 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.113 3.907 1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.628 1.505 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.582 1.477 0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.052 3.279 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.131 3.195 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.139 1.881 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.777 0.872 2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.669 0.953 1.277 1.00 0.00 H new ATOM 508 N VAL A 47 15.085 3.454 -1.522 1.00 0.00 N ATOM 509 CA VAL A 47 14.013 2.988 -2.380 1.00 0.00 C ATOM 510 C VAL A 47 12.830 3.958 -2.323 1.00 0.00 C ATOM 511 O VAL A 47 11.672 3.577 -2.464 1.00 0.00 O ATOM 512 CB VAL A 47 13.590 1.556 -1.979 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.024 1.525 -0.567 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.616 0.961 -2.986 1.00 0.00 C ATOM 0 H VAL A 47 14.789 3.703 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 47 14.369 2.955 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 47 14.484 0.932 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.735 0.505 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.781 1.874 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.150 2.174 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.339 -0.046 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.722 1.583 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.088 0.919 -3.968 1.00 0.00 H new ATOM 524 N ARG A 48 13.146 5.231 -2.112 1.00 0.00 N ATOM 525 CA ARG A 48 12.132 6.268 -1.977 1.00 0.00 C ATOM 526 C ARG A 48 11.136 6.241 -3.121 1.00 0.00 C ATOM 527 O ARG A 48 11.467 6.511 -4.278 1.00 0.00 O ATOM 528 CB ARG A 48 12.788 7.637 -1.847 1.00 0.00 C ATOM 529 CG ARG A 48 13.354 7.849 -0.466 1.00 0.00 C ATOM 530 CD ARG A 48 14.102 9.158 -0.349 1.00 0.00 C ATOM 531 NE ARG A 48 13.247 10.325 -0.550 1.00 0.00 N ATOM 532 CZ ARG A 48 13.349 11.451 0.157 1.00 0.00 C ATOM 533 NH1 ARG A 48 14.174 11.524 1.196 1.00 0.00 N ATOM 534 NH2 ARG A 48 12.599 12.497 -0.161 1.00 0.00 N ATOM 0 H ARG A 48 14.104 5.570 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 48 11.569 6.066 -1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.584 7.732 -2.586 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.056 8.415 -2.065 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.544 7.829 0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.025 7.026 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 48 14.564 9.219 0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 48 14.909 9.175 -1.081 1.00 0.00 H new ATOM 0 HE ARG A 48 12.530 10.276 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.736 10.714 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 48 14.245 12.390 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.947 12.438 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.674 13.360 0.377 1.00 0.00 H new ATOM 548 N GLY A 49 9.917 5.896 -2.765 1.00 0.00 N ATOM 549 CA GLY A 49 8.866 5.702 -3.736 1.00 0.00 C ATOM 550 C GLY A 49 7.515 5.579 -3.068 1.00 0.00 C ATOM 551 O GLY A 49 7.434 5.502 -1.847 1.00 0.00 O ATOM 0 H GLY A 49 9.629 5.743 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.854 6.539 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.069 4.804 -4.319 1.00 0.00 H new ATOM 555 N ILE A 50 6.454 5.579 -3.845 1.00 0.00 N ATOM 556 CA ILE A 50 5.121 5.442 -3.287 1.00 0.00 C ATOM 557 C ILE A 50 4.558 4.057 -3.568 1.00 0.00 C ATOM 558 O ILE A 50 4.546 3.599 -4.710 1.00 0.00 O ATOM 559 CB ILE A 50 4.172 6.522 -3.840 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.713 7.908 -3.485 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.761 6.334 -3.297 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.843 9.052 -3.950 1.00 0.00 C ATOM 0 H ILE A 50 6.485 5.672 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 50 5.200 5.576 -2.208 1.00 0.00 H new ATOM 0 HB ILE A 50 4.122 6.429 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.831 7.973 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.705 8.021 -3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.109 7.108 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.386 5.354 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.777 6.405 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.299 9.998 -3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.744 9.017 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.857 8.968 -3.493 1.00 0.00 H new ATOM 574 N TYR A 51 4.104 3.396 -2.516 1.00 0.00 N ATOM 575 CA TYR A 51 3.570 2.050 -2.629 1.00 0.00 C ATOM 576 C TYR A 51 2.064 2.070 -2.433 1.00 0.00 C ATOM 577 O TYR A 51 1.577 2.398 -1.353 1.00 0.00 O ATOM 578 CB TYR A 51 4.202 1.130 -1.580 1.00 0.00 C ATOM 579 CG TYR A 51 5.693 1.309 -1.420 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.560 1.087 -2.479 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.233 1.700 -0.202 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.922 1.248 -2.330 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.593 1.864 -0.045 1.00 0.00 C ATOM 584 CZ TYR A 51 8.433 1.637 -1.112 1.00 0.00 C ATOM 585 OH TYR A 51 9.787 1.798 -0.960 1.00 0.00 O ATOM 0 H TYR A 51 4.095 3.773 -1.568 1.00 0.00 H new ATOM 0 HA TYR A 51 3.806 1.672 -3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.720 1.308 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.998 0.094 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.163 0.783 -3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.577 1.879 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.584 1.070 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.997 2.169 0.909 1.00 0.00 H new ATOM 0 HH TYR A 51 10.110 2.468 -1.598 1.00 0.00 H new ATOM 595 N GLY A 52 1.329 1.737 -3.474 1.00 0.00 N ATOM 596 CA GLY A 52 -0.110 1.674 -3.357 1.00 0.00 C ATOM 597 C GLY A 52 -0.576 0.262 -3.083 1.00 0.00 C ATOM 598 O GLY A 52 -0.440 -0.613 -3.930 1.00 0.00 O ATOM 0 H GLY A 52 1.699 1.509 -4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.441 2.331 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.568 2.039 -4.276 1.00 0.00 H new ATOM 602 N PHE A 53 -1.100 0.028 -1.895 1.00 0.00 N ATOM 603 CA PHE A 53 -1.569 -1.298 -1.528 1.00 0.00 C ATOM 604 C PHE A 53 -3.066 -1.438 -1.755 1.00 0.00 C ATOM 605 O PHE A 53 -3.875 -0.889 -1.006 1.00 0.00 O ATOM 606 CB PHE A 53 -1.224 -1.615 -0.072 1.00 0.00 C ATOM 607 CG PHE A 53 0.032 -2.424 0.082 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.277 -1.852 -0.118 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.037 -3.763 0.434 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.430 -2.598 0.029 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.112 -4.515 0.582 1.00 0.00 C ATOM 612 CZ PHE A 53 2.348 -3.932 0.380 1.00 0.00 C ATOM 0 H PHE A 53 -1.212 0.735 -1.168 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.059 -2.015 -2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.115 -0.681 0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.054 -2.157 0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.347 -0.810 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.001 -4.224 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.395 -2.139 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.044 -5.558 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.248 -4.517 0.496 1.00 0.00 H new ATOM 622 N LYS A 54 -3.420 -2.165 -2.804 1.00 0.00 N ATOM 623 CA LYS A 54 -4.807 -2.488 -3.085 1.00 0.00 C ATOM 624 C LYS A 54 -5.161 -3.811 -2.415 1.00 0.00 C ATOM 625 O LYS A 54 -4.808 -4.884 -2.910 1.00 0.00 O ATOM 626 CB LYS A 54 -5.048 -2.590 -4.596 1.00 0.00 C ATOM 627 CG LYS A 54 -4.955 -1.267 -5.345 1.00 0.00 C ATOM 628 CD LYS A 54 -5.350 -1.445 -6.806 1.00 0.00 C ATOM 629 CE LYS A 54 -5.535 -0.113 -7.519 1.00 0.00 C ATOM 630 NZ LYS A 54 -4.251 0.517 -7.916 1.00 0.00 N ATOM 0 H LYS A 54 -2.757 -2.545 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.440 -1.693 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.322 -3.284 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.036 -3.019 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.606 -0.531 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.938 -0.879 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.584 -2.026 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.276 -2.017 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.148 -0.265 -8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.081 0.569 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.442 1.403 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.687 0.721 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.723 -0.131 -8.534 1.00 0.00 H new ATOM 644 N VAL A 55 -5.843 -3.730 -1.286 1.00 0.00 N ATOM 645 CA VAL A 55 -6.146 -4.913 -0.495 1.00 0.00 C ATOM 646 C VAL A 55 -7.580 -5.367 -0.734 1.00 0.00 C ATOM 647 O VAL A 55 -8.528 -4.694 -0.338 1.00 0.00 O ATOM 648 CB VAL A 55 -5.948 -4.652 1.010 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.067 -5.947 1.796 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.605 -3.985 1.272 1.00 0.00 C ATOM 0 H VAL A 55 -6.198 -2.857 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.455 -5.695 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.733 -3.974 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.924 -5.743 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.056 -6.378 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.306 -6.650 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.488 -3.811 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.802 -4.633 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.562 -3.033 0.742 1.00 0.00 H new ATOM 660 N ARG A 56 -7.735 -6.512 -1.376 1.00 0.00 N ATOM 661 CA ARG A 56 -9.056 -7.020 -1.713 1.00 0.00 C ATOM 662 C ARG A 56 -9.445 -8.171 -0.794 1.00 0.00 C ATOM 663 O ARG A 56 -8.653 -8.595 0.050 1.00 0.00 O ATOM 664 CB ARG A 56 -9.093 -7.486 -3.170 1.00 0.00 C ATOM 665 CG ARG A 56 -8.686 -6.411 -4.166 1.00 0.00 C ATOM 666 CD ARG A 56 -8.831 -6.900 -5.598 1.00 0.00 C ATOM 667 NE ARG A 56 -10.233 -7.054 -5.981 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.760 -8.166 -6.499 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.015 -9.254 -6.664 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.040 -8.186 -6.848 1.00 0.00 N ATOM 0 H ARG A 56 -6.963 -7.108 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.772 -6.210 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.431 -8.344 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.101 -7.827 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.302 -5.524 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.653 -6.116 -3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.345 -6.196 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.317 -7.855 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.853 -6.256 -5.843 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.031 -9.244 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.427 -10.099 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.617 -7.354 -6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.447 -9.033 -7.244 1.00 0.00 H new ATOM 684 N ASN A 57 -10.669 -8.670 -0.974 1.00 0.00 N ATOM 685 CA ASN A 57 -11.174 -9.818 -0.221 1.00 0.00 C ATOM 686 C ASN A 57 -11.188 -9.547 1.277 1.00 0.00 C ATOM 687 O ASN A 57 -10.735 -10.368 2.077 1.00 0.00 O ATOM 688 CB ASN A 57 -10.350 -11.070 -0.530 1.00 0.00 C ATOM 689 CG ASN A 57 -10.559 -11.561 -1.951 1.00 0.00 C ATOM 690 OD1 ASN A 57 -11.638 -11.402 -2.523 1.00 0.00 O ATOM 691 ND2 ASN A 57 -9.530 -12.150 -2.537 1.00 0.00 N ATOM 0 H ASN A 57 -11.337 -8.290 -1.645 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.204 -9.988 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.293 -10.854 -0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.620 -11.862 0.169 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.615 -12.490 -3.495 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.652 -12.264 -2.031 1.00 0.00 H new ATOM 698 N GLY A 58 -11.698 -8.383 1.647 1.00 0.00 N ATOM 699 CA GLY A 58 -11.866 -8.055 3.048 1.00 0.00 C ATOM 700 C GLY A 58 -13.087 -8.728 3.653 1.00 0.00 C ATOM 701 O GLY A 58 -13.565 -9.731 3.118 1.00 0.00 O ATOM 0 H GLY A 58 -12.000 -7.656 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.976 -8.358 3.599 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.957 -6.974 3.158 1.00 0.00 H new ATOM 705 N PRO A 59 -13.620 -8.171 4.761 1.00 0.00 N ATOM 706 CA PRO A 59 -14.742 -8.751 5.516 1.00 0.00 C ATOM 707 C PRO A 59 -15.849 -9.321 4.631 1.00 0.00 C ATOM 708 O PRO A 59 -16.140 -10.515 4.676 1.00 0.00 O ATOM 709 CB PRO A 59 -15.273 -7.566 6.312 1.00 0.00 C ATOM 710 CG PRO A 59 -14.114 -6.645 6.488 1.00 0.00 C ATOM 711 CD PRO A 59 -13.144 -6.919 5.371 1.00 0.00 C ATOM 0 HA PRO A 59 -14.413 -9.597 6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.088 -7.073 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.667 -7.887 7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.443 -5.606 6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.640 -6.807 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.134 -6.105 4.647 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.126 -7.024 5.747 1.00 0.00 H new ATOM 719 N ASN A 60 -16.461 -8.470 3.822 1.00 0.00 N ATOM 720 CA ASN A 60 -17.495 -8.915 2.894 1.00 0.00 C ATOM 721 C ASN A 60 -17.023 -8.708 1.467 1.00 0.00 C ATOM 722 O ASN A 60 -17.765 -8.218 0.616 1.00 0.00 O ATOM 723 CB ASN A 60 -18.806 -8.154 3.117 1.00 0.00 C ATOM 724 CG ASN A 60 -19.299 -8.235 4.547 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.968 -7.385 5.376 1.00 0.00 O ATOM 726 ND2 ASN A 60 -20.094 -9.248 4.847 1.00 0.00 N ATOM 0 H ASN A 60 -16.262 -7.470 3.787 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.680 -9.974 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.664 -7.108 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -19.570 -8.555 2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -20.458 -9.348 5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.344 -9.930 4.131 1.00 0.00 H new ATOM 733 N GLY A 61 -15.774 -9.074 1.215 1.00 0.00 N ATOM 734 CA GLY A 61 -15.180 -8.832 -0.084 1.00 0.00 C ATOM 735 C GLY A 61 -14.800 -7.378 -0.250 1.00 0.00 C ATOM 736 O GLY A 61 -14.686 -6.873 -1.369 1.00 0.00 O ATOM 0 H GLY A 61 -15.161 -9.535 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.296 -9.458 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.882 -9.119 -0.867 1.00 0.00 H new ATOM 740 N ALA A 62 -14.607 -6.707 0.878 1.00 0.00 N ATOM 741 CA ALA A 62 -14.256 -5.298 0.888 1.00 0.00 C ATOM 742 C ALA A 62 -12.869 -5.077 0.327 1.00 0.00 C ATOM 743 O ALA A 62 -11.950 -5.860 0.559 1.00 0.00 O ATOM 744 CB ALA A 62 -14.362 -4.737 2.298 1.00 0.00 C ATOM 0 H ALA A 62 -14.689 -7.124 1.805 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.961 -4.768 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.096 -3.680 2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.384 -4.851 2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.682 -5.277 2.957 1.00 0.00 H new ATOM 750 N GLU A 63 -12.750 -4.015 -0.432 1.00 0.00 N ATOM 751 CA GLU A 63 -11.514 -3.652 -1.074 1.00 0.00 C ATOM 752 C GLU A 63 -10.985 -2.345 -0.502 1.00 0.00 C ATOM 753 O GLU A 63 -11.558 -1.277 -0.725 1.00 0.00 O ATOM 754 CB GLU A 63 -11.778 -3.531 -2.566 1.00 0.00 C ATOM 755 CG GLU A 63 -12.032 -4.867 -3.235 1.00 0.00 C ATOM 756 CD GLU A 63 -12.499 -4.726 -4.667 1.00 0.00 C ATOM 757 OE1 GLU A 63 -13.709 -4.504 -4.878 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.667 -4.842 -5.589 1.00 0.00 O ATOM 0 H GLU A 63 -13.519 -3.372 -0.622 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.754 -4.413 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.639 -2.882 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.924 -3.049 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.117 -5.459 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.782 -5.417 -2.666 1.00 0.00 H new ATOM 765 N GLY A 64 -9.903 -2.445 0.246 1.00 0.00 N ATOM 766 CA GLY A 64 -9.302 -1.280 0.849 1.00 0.00 C ATOM 767 C GLY A 64 -8.066 -0.852 0.097 1.00 0.00 C ATOM 768 O GLY A 64 -7.534 -1.611 -0.715 1.00 0.00 O ATOM 0 H GLY A 64 -9.425 -3.323 0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.023 -0.462 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.043 -1.496 1.886 1.00 0.00 H new ATOM 772 N TYR A 65 -7.599 0.352 0.360 1.00 0.00 N ATOM 773 CA TYR A 65 -6.460 0.884 -0.360 1.00 0.00 C ATOM 774 C TYR A 65 -5.644 1.824 0.523 1.00 0.00 C ATOM 775 O TYR A 65 -6.153 2.831 1.016 1.00 0.00 O ATOM 776 CB TYR A 65 -6.950 1.601 -1.620 1.00 0.00 C ATOM 777 CG TYR A 65 -5.853 2.233 -2.434 1.00 0.00 C ATOM 778 CD1 TYR A 65 -4.801 1.475 -2.929 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.871 3.590 -2.707 1.00 0.00 C ATOM 780 CE1 TYR A 65 -3.797 2.056 -3.673 1.00 0.00 C ATOM 781 CE2 TYR A 65 -4.874 4.179 -3.452 1.00 0.00 C ATOM 782 CZ TYR A 65 -3.838 3.409 -3.934 1.00 0.00 C ATOM 783 OH TYR A 65 -2.841 3.996 -4.675 1.00 0.00 O ATOM 0 H TYR A 65 -7.989 0.978 1.064 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.805 0.062 -0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.487 0.888 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.664 2.372 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.769 0.414 -2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.681 4.197 -2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.983 1.455 -4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.904 5.239 -3.657 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.023 4.955 -4.767 1.00 0.00 H new ATOM 793 N TRP A 66 -4.375 1.485 0.720 1.00 0.00 N ATOM 794 CA TRP A 66 -3.485 2.298 1.539 1.00 0.00 C ATOM 795 C TRP A 66 -2.268 2.715 0.730 1.00 0.00 C ATOM 796 O TRP A 66 -1.617 1.890 0.091 1.00 0.00 O ATOM 797 CB TRP A 66 -3.033 1.560 2.814 1.00 0.00 C ATOM 798 CG TRP A 66 -4.125 1.330 3.820 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.342 2.047 4.961 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.139 0.316 3.787 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.427 1.546 5.636 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.936 0.487 4.935 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.455 -0.714 2.898 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.023 -0.336 5.217 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.535 -1.529 3.181 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.309 -1.334 4.329 1.00 0.00 C ATOM 0 H TRP A 66 -3.940 0.652 0.323 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.045 3.181 1.848 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.609 0.597 2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.235 2.133 3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.746 2.887 5.286 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.794 1.905 6.517 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.866 -0.871 2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.619 -0.191 6.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.786 -2.331 2.503 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.150 -1.985 4.517 1.00 0.00 H new ATOM 817 N VAL A 67 -1.981 4.002 0.749 1.00 0.00 N ATOM 818 CA VAL A 67 -0.843 4.551 0.038 1.00 0.00 C ATOM 819 C VAL A 67 0.329 4.766 0.985 1.00 0.00 C ATOM 820 O VAL A 67 0.249 5.579 1.904 1.00 0.00 O ATOM 821 CB VAL A 67 -1.206 5.893 -0.631 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.031 6.592 -1.162 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.211 5.684 -1.747 1.00 0.00 C ATOM 0 H VAL A 67 -2.529 4.696 1.257 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.559 3.834 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.658 6.530 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.256 7.535 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.719 6.788 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.520 5.956 -1.900 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.452 6.644 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.786 5.020 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.119 5.238 -1.340 1.00 0.00 H new ATOM 833 N ILE A 68 1.401 4.024 0.771 1.00 0.00 N ATOM 834 CA ILE A 68 2.615 4.210 1.543 1.00 0.00 C ATOM 835 C ILE A 68 3.530 5.187 0.814 1.00 0.00 C ATOM 836 O ILE A 68 4.209 4.826 -0.150 1.00 0.00 O ATOM 837 CB ILE A 68 3.375 2.885 1.808 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.498 1.877 2.565 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.650 3.154 2.599 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.529 1.111 1.690 1.00 0.00 C ATOM 0 H ILE A 68 1.455 3.287 0.068 1.00 0.00 H new ATOM 0 HA ILE A 68 2.321 4.606 2.515 1.00 0.00 H new ATOM 0 HB ILE A 68 3.634 2.454 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.144 1.166 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.934 2.408 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.173 2.214 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.295 3.826 2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.396 3.614 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.950 0.422 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.855 1.810 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.084 0.548 0.939 1.00 0.00 H new ATOM 852 N ASN A 69 3.522 6.432 1.260 1.00 0.00 N ATOM 853 CA ASN A 69 4.304 7.474 0.618 1.00 0.00 C ATOM 854 C ASN A 69 5.705 7.519 1.205 1.00 0.00 C ATOM 855 O ASN A 69 5.933 8.101 2.268 1.00 0.00 O ATOM 856 CB ASN A 69 3.632 8.840 0.786 1.00 0.00 C ATOM 857 CG ASN A 69 4.273 9.921 -0.075 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.464 9.865 -0.396 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.489 10.918 -0.450 1.00 0.00 N ATOM 0 H ASN A 69 2.981 6.746 2.066 1.00 0.00 H new ATOM 0 HA ASN A 69 4.367 7.243 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.576 8.755 0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.682 9.138 1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.864 11.674 -1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.509 10.931 -0.166 1.00 0.00 H new ATOM 866 N ALA A 70 6.641 6.903 0.511 1.00 0.00 N ATOM 867 CA ALA A 70 8.034 6.947 0.905 1.00 0.00 C ATOM 868 C ALA A 70 8.808 7.875 -0.017 1.00 0.00 C ATOM 869 O ALA A 70 10.023 8.011 0.098 1.00 0.00 O ATOM 870 CB ALA A 70 8.630 5.552 0.883 1.00 0.00 C ATOM 0 H ALA A 70 6.460 6.362 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 70 8.102 7.333 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.677 5.599 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.084 4.912 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.558 5.141 -0.124 1.00 0.00 H new ATOM 876 N LYS A 71 8.084 8.525 -0.924 1.00 0.00 N ATOM 877 CA LYS A 71 8.689 9.413 -1.906 1.00 0.00 C ATOM 878 C LYS A 71 9.410 10.560 -1.213 1.00 0.00 C ATOM 879 O LYS A 71 10.555 10.868 -1.532 1.00 0.00 O ATOM 880 CB LYS A 71 7.608 9.955 -2.846 1.00 0.00 C ATOM 881 CG LYS A 71 8.135 10.830 -3.975 1.00 0.00 C ATOM 882 CD LYS A 71 9.143 10.095 -4.848 1.00 0.00 C ATOM 883 CE LYS A 71 8.548 8.849 -5.487 1.00 0.00 C ATOM 884 NZ LYS A 71 7.557 9.166 -6.550 1.00 0.00 N ATOM 0 H LYS A 71 7.069 8.451 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 71 9.420 8.852 -2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.065 9.114 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.891 10.531 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.301 11.167 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.602 11.721 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.502 10.766 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.007 9.815 -4.246 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.350 8.245 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.068 8.245 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.925 8.352 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.996 9.995 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.056 9.374 -7.439 1.00 0.00 H new ATOM 898 N GLU A 72 8.742 11.164 -0.244 1.00 0.00 N ATOM 899 CA GLU A 72 9.320 12.271 0.503 1.00 0.00 C ATOM 900 C GLU A 72 10.065 11.778 1.736 1.00 0.00 C ATOM 901 O GLU A 72 10.285 12.527 2.688 1.00 0.00 O ATOM 902 CB GLU A 72 8.237 13.258 0.900 1.00 0.00 C ATOM 903 CG GLU A 72 7.598 13.935 -0.293 1.00 0.00 C ATOM 904 CD GLU A 72 6.702 15.090 0.095 1.00 0.00 C ATOM 905 OE1 GLU A 72 7.225 16.101 0.607 1.00 0.00 O ATOM 906 OE2 GLU A 72 5.477 15.000 -0.121 1.00 0.00 O ATOM 0 H GLU A 72 7.798 10.907 0.045 1.00 0.00 H new ATOM 0 HA GLU A 72 10.039 12.774 -0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.469 12.738 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.665 14.016 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.380 14.297 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.016 13.202 -0.851 1.00 0.00 H new ATOM 913 N GLY A 73 10.435 10.511 1.703 1.00 0.00 N ATOM 914 CA GLY A 73 11.232 9.921 2.768 1.00 0.00 C ATOM 915 C GLY A 73 10.439 9.704 4.039 1.00 0.00 C ATOM 916 O GLY A 73 11.005 9.501 5.116 1.00 0.00 O ATOM 0 H GLY A 73 10.196 9.867 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.635 8.967 2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.082 10.569 2.981 1.00 0.00 H new ATOM 920 N LYS A 74 9.126 9.747 3.911 1.00 0.00 N ATOM 921 CA LYS A 74 8.242 9.605 5.053 1.00 0.00 C ATOM 922 C LYS A 74 7.995 8.141 5.389 1.00 0.00 C ATOM 923 O LYS A 74 8.229 7.711 6.517 1.00 0.00 O ATOM 924 CB LYS A 74 6.939 10.326 4.784 1.00 0.00 C ATOM 925 CG LYS A 74 7.132 11.823 4.767 1.00 0.00 C ATOM 926 CD LYS A 74 5.861 12.539 4.412 1.00 0.00 C ATOM 927 CE LYS A 74 4.826 12.449 5.522 1.00 0.00 C ATOM 928 NZ LYS A 74 3.577 13.174 5.172 1.00 0.00 N ATOM 0 H LYS A 74 8.645 9.880 3.021 1.00 0.00 H new ATOM 0 HA LYS A 74 8.725 10.056 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.531 9.999 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.210 10.060 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.478 12.157 5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.910 12.082 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.081 13.586 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.449 12.114 3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.595 11.402 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.241 12.863 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.896 13.090 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.793 14.178 5.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.167 12.763 4.309 1.00 0.00 H new ATOM 942 N GLY A 75 7.528 7.377 4.410 1.00 0.00 N ATOM 943 CA GLY A 75 7.229 5.981 4.650 1.00 0.00 C ATOM 944 C GLY A 75 5.953 5.815 5.446 1.00 0.00 C ATOM 945 O GLY A 75 5.840 4.911 6.272 1.00 0.00 O ATOM 0 H GLY A 75 7.352 7.698 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.135 5.459 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.057 5.518 5.187 1.00 0.00 H new ATOM 949 N LYS A 76 5.000 6.714 5.224 1.00 0.00 N ATOM 950 CA LYS A 76 3.736 6.656 5.938 1.00 0.00 C ATOM 951 C LYS A 76 2.674 6.010 5.061 1.00 0.00 C ATOM 952 O LYS A 76 2.829 5.961 3.847 1.00 0.00 O ATOM 953 CB LYS A 76 3.261 8.049 6.354 1.00 0.00 C ATOM 954 CG LYS A 76 2.562 8.819 5.243 1.00 0.00 C ATOM 955 CD LYS A 76 1.734 9.981 5.780 1.00 0.00 C ATOM 956 CE LYS A 76 0.475 9.516 6.519 1.00 0.00 C ATOM 957 NZ LYS A 76 0.758 8.981 7.883 1.00 0.00 N ATOM 0 H LYS A 76 5.080 7.484 4.560 1.00 0.00 H new ATOM 0 HA LYS A 76 3.893 6.061 6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.580 7.953 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.119 8.627 6.699 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.306 9.198 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.915 8.142 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.347 10.578 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.446 10.630 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.220 10.352 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.021 8.745 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.023 9.230 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.852 7.946 7.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.643 9.393 8.241 1.00 0.00 H new ATOM 971 N VAL A 77 1.587 5.541 5.661 1.00 0.00 N ATOM 972 CA VAL A 77 0.508 4.951 4.886 1.00 0.00 C ATOM 973 C VAL A 77 -0.784 5.727 5.132 1.00 0.00 C ATOM 974 O VAL A 77 -1.066 6.152 6.257 1.00 0.00 O ATOM 975 CB VAL A 77 0.310 3.430 5.175 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.554 2.816 5.799 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.908 3.156 6.044 1.00 0.00 C ATOM 0 H VAL A 77 1.432 5.558 6.669 1.00 0.00 H new ATOM 0 HA VAL A 77 0.784 5.023 3.834 1.00 0.00 H new ATOM 0 HB VAL A 77 0.135 2.956 4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.382 1.756 5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.397 2.931 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.776 3.320 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.999 2.083 6.214 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.795 3.667 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.803 3.521 5.541 1.00 0.00 H new ATOM 987 N THR A 78 -1.537 5.947 4.071 1.00 0.00 N ATOM 988 CA THR A 78 -2.778 6.692 4.156 1.00 0.00 C ATOM 989 C THR A 78 -3.863 6.019 3.321 1.00 0.00 C ATOM 990 O THR A 78 -3.609 5.562 2.205 1.00 0.00 O ATOM 991 CB THR A 78 -2.574 8.156 3.697 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.833 8.835 3.604 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.854 8.222 2.355 1.00 0.00 C ATOM 0 H THR A 78 -1.308 5.617 3.133 1.00 0.00 H new ATOM 0 HA THR A 78 -3.097 6.702 5.198 1.00 0.00 H new ATOM 0 HB THR A 78 -1.954 8.650 4.445 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.685 9.760 3.314 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.727 9.264 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.877 7.748 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.443 7.702 1.600 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.064 5.938 3.878 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.183 5.304 3.197 1.00 0.00 C ATOM 1003 C TYR A 79 -6.633 6.168 2.025 1.00 0.00 C ATOM 1004 O TYR A 79 -7.075 7.303 2.220 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.341 5.083 4.175 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.450 4.207 3.629 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.392 2.826 3.762 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.552 4.758 2.986 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.397 2.017 3.269 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.563 3.955 2.491 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.481 2.586 2.635 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.482 1.782 2.138 1.00 0.00 O ATOM 0 H TYR A 79 -5.288 6.305 4.803 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.864 4.334 2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.951 4.632 5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.759 6.051 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.546 2.376 4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.620 5.830 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.334 0.945 3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.413 4.398 1.994 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.173 2.339 1.722 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.521 5.616 0.816 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.814 6.352 -0.416 1.00 0.00 C ATOM 1024 C ASN A 80 -6.039 7.664 -0.445 1.00 0.00 C ATOM 1025 O ASN A 80 -6.620 8.749 -0.403 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.320 6.612 -0.567 1.00 0.00 C ATOM 1027 CG ASN A 80 -9.119 5.344 -0.812 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.761 4.262 -0.347 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -10.212 5.466 -1.548 1.00 0.00 N ATOM 0 H ASN A 80 -6.226 4.652 0.663 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.497 5.738 -1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.691 7.100 0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.483 7.303 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.788 4.647 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.479 6.379 -1.917 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.717 7.544 -0.512 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.845 8.698 -0.414 1.00 0.00 C ATOM 1038 C GLY A 81 -4.062 9.722 -1.508 1.00 0.00 C ATOM 1039 O GLY A 81 -4.036 10.925 -1.250 1.00 0.00 O ATOM 0 H GLY A 81 -4.230 6.656 -0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.998 9.176 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.808 8.362 -0.444 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.271 9.252 -2.726 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.441 10.155 -3.846 1.00 0.00 C ATOM 1045 C GLY A 82 -3.133 10.413 -4.564 1.00 0.00 C ATOM 1046 O GLY A 82 -3.125 10.846 -5.716 1.00 0.00 O ATOM 0 H GLY A 82 -4.326 8.261 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.163 9.734 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.854 11.100 -3.492 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.027 10.159 -3.872 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.701 10.247 -4.470 1.00 0.00 C ATOM 1052 C GLU A 83 -0.530 9.128 -5.484 1.00 0.00 C ATOM 1053 O GLU A 83 -1.123 8.062 -5.332 1.00 0.00 O ATOM 1054 CB GLU A 83 0.379 10.111 -3.396 1.00 0.00 C ATOM 1055 CG GLU A 83 0.269 11.118 -2.267 1.00 0.00 C ATOM 1056 CD GLU A 83 0.497 12.541 -2.725 1.00 0.00 C ATOM 1057 OE1 GLU A 83 -0.477 13.205 -3.133 1.00 0.00 O ATOM 1058 OE2 GLU A 83 1.652 13.009 -2.667 1.00 0.00 O ATOM 0 H GLU A 83 -2.025 9.888 -2.889 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.601 11.217 -4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.333 9.106 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.357 10.215 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.719 11.041 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.995 10.870 -1.493 1.00 0.00 H new ATOM 1065 N LYS A 84 0.271 9.362 -6.512 1.00 0.00 N ATOM 1066 CA LYS A 84 0.539 8.349 -7.496 1.00 0.00 C ATOM 1067 C LYS A 84 1.626 7.402 -7.015 1.00 0.00 C ATOM 1068 O LYS A 84 2.779 7.796 -6.820 1.00 0.00 O ATOM 1069 CB LYS A 84 0.923 8.977 -8.820 1.00 0.00 C ATOM 1070 CG LYS A 84 1.740 8.055 -9.688 1.00 0.00 C ATOM 1071 CD LYS A 84 1.921 8.611 -11.081 1.00 0.00 C ATOM 1072 CE LYS A 84 2.738 9.884 -11.072 1.00 0.00 C ATOM 1073 NZ LYS A 84 3.066 10.345 -12.444 1.00 0.00 N ATOM 0 H LYS A 84 0.744 10.250 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.373 7.771 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.019 9.266 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.489 9.890 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.716 7.895 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.252 7.082 -9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.412 7.868 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.945 8.808 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.186 10.665 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.660 9.719 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.626 11.220 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.615 9.611 -12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.187 10.528 -12.968 1.00 0.00 H new ATOM 1087 N PRO A 85 1.250 6.147 -6.794 1.00 0.00 N ATOM 1088 CA PRO A 85 2.182 5.090 -6.437 1.00 0.00 C ATOM 1089 C PRO A 85 3.101 4.742 -7.594 1.00 0.00 C ATOM 1090 O PRO A 85 2.647 4.526 -8.719 1.00 0.00 O ATOM 1091 CB PRO A 85 1.285 3.893 -6.107 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.100 4.432 -6.018 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.127 5.664 -6.872 1.00 0.00 C ATOM 0 HA PRO A 85 2.829 5.386 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.357 3.127 -6.879 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.584 3.428 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.826 3.699 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.360 4.668 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.418 5.438 -7.898 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.836 6.401 -6.495 1.00 0.00 H new ATOM 1101 N ASP A 86 4.395 4.713 -7.318 1.00 0.00 N ATOM 1102 CA ASP A 86 5.370 4.265 -8.300 1.00 0.00 C ATOM 1103 C ASP A 86 5.160 2.787 -8.570 1.00 0.00 C ATOM 1104 O ASP A 86 5.398 2.302 -9.675 1.00 0.00 O ATOM 1105 CB ASP A 86 6.798 4.497 -7.801 1.00 0.00 C ATOM 1106 CG ASP A 86 7.088 5.953 -7.496 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.745 6.417 -6.388 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.669 6.644 -8.359 1.00 0.00 O ATOM 0 H ASP A 86 4.795 4.994 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 86 5.232 4.838 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.964 3.903 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.502 4.141 -8.553 1.00 0.00 H new ATOM 1113 N VAL A 87 4.718 2.082 -7.534 1.00 0.00 N ATOM 1114 CA VAL A 87 4.376 0.675 -7.636 1.00 0.00 C ATOM 1115 C VAL A 87 3.128 0.370 -6.812 1.00 0.00 C ATOM 1116 O VAL A 87 3.012 0.785 -5.656 1.00 0.00 O ATOM 1117 CB VAL A 87 5.534 -0.245 -7.179 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.680 -0.203 -8.169 1.00 0.00 C ATOM 1119 CG2 VAL A 87 6.031 0.127 -5.794 1.00 0.00 C ATOM 0 H VAL A 87 4.588 2.474 -6.601 1.00 0.00 H new ATOM 0 HA VAL A 87 4.183 0.471 -8.689 1.00 0.00 H new ATOM 0 HB VAL A 87 5.141 -1.261 -7.137 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.481 -0.857 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.330 -0.539 -9.145 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.054 0.818 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.844 -0.541 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.392 1.156 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.215 0.034 -5.077 1.00 0.00 H new ATOM 1129 N THR A 88 2.186 -0.328 -7.419 1.00 0.00 N ATOM 1130 CA THR A 88 0.972 -0.729 -6.731 1.00 0.00 C ATOM 1131 C THR A 88 0.948 -2.240 -6.541 1.00 0.00 C ATOM 1132 O THR A 88 1.183 -2.989 -7.488 1.00 0.00 O ATOM 1133 CB THR A 88 -0.283 -0.286 -7.514 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.241 1.130 -7.734 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.560 -0.646 -6.763 1.00 0.00 C ATOM 0 H THR A 88 2.239 -0.630 -8.392 1.00 0.00 H new ATOM 0 HA THR A 88 0.963 -0.241 -5.757 1.00 0.00 H new ATOM 0 HB THR A 88 -0.288 -0.811 -8.469 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.038 1.407 -8.233 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.426 -0.321 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.605 -1.725 -6.618 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.564 -0.149 -5.793 1.00 0.00 H new ATOM 1143 N PHE A 89 0.684 -2.678 -5.318 1.00 0.00 N ATOM 1144 CA PHE A 89 0.588 -4.097 -5.013 1.00 0.00 C ATOM 1145 C PHE A 89 -0.857 -4.459 -4.714 1.00 0.00 C ATOM 1146 O PHE A 89 -1.492 -3.841 -3.859 1.00 0.00 O ATOM 1147 CB PHE A 89 1.457 -4.469 -3.802 1.00 0.00 C ATOM 1148 CG PHE A 89 2.897 -4.059 -3.913 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.315 -2.816 -3.462 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.833 -4.919 -4.458 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.640 -2.442 -3.555 1.00 0.00 C ATOM 1152 CE2 PHE A 89 5.161 -4.550 -4.552 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.564 -3.311 -4.101 1.00 0.00 C ATOM 0 H PHE A 89 0.532 -2.066 -4.517 1.00 0.00 H new ATOM 0 HA PHE A 89 0.945 -4.651 -5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.030 -4.009 -2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.411 -5.548 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.596 -2.134 -3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.522 -5.890 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.954 -1.471 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.883 -5.231 -4.978 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.602 -3.020 -4.175 1.00 0.00 H new ATOM 1163 N THR A 90 -1.383 -5.434 -5.429 1.00 0.00 N ATOM 1164 CA THR A 90 -2.718 -5.936 -5.155 1.00 0.00 C ATOM 1165 C THR A 90 -2.617 -7.276 -4.443 1.00 0.00 C ATOM 1166 O THR A 90 -1.947 -8.187 -4.925 1.00 0.00 O ATOM 1167 CB THR A 90 -3.539 -6.097 -6.446 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.421 -4.911 -7.246 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.005 -6.354 -6.129 1.00 0.00 C ATOM 0 H THR A 90 -0.907 -5.895 -6.204 1.00 0.00 H new ATOM 0 HA THR A 90 -3.230 -5.211 -4.521 1.00 0.00 H new ATOM 0 HB THR A 90 -3.149 -6.953 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.944 -5.018 -8.068 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.564 -6.464 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.095 -7.267 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.407 -5.515 -5.561 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.269 -7.376 -3.293 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.200 -8.562 -2.452 1.00 0.00 C ATOM 1179 C ILE A 91 -4.423 -8.623 -1.550 1.00 0.00 C ATOM 1180 O ILE A 91 -5.030 -7.602 -1.240 1.00 0.00 O ATOM 1181 CB ILE A 91 -1.884 -8.565 -1.627 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.924 -9.602 -2.197 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.124 -8.836 -0.149 1.00 0.00 C ATOM 1184 CD1 ILE A 91 -1.367 -11.029 -1.957 1.00 0.00 C ATOM 0 H ILE A 91 -3.861 -6.636 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.195 -9.452 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.448 -7.569 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.819 -9.438 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.061 -9.456 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.172 -8.827 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.775 -8.064 0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.597 -9.811 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.637 -11.714 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.445 -11.210 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.338 -11.192 -2.424 1.00 0.00 H new ATOM 1196 N SER A 92 -4.795 -9.827 -1.163 1.00 0.00 N ATOM 1197 CA SER A 92 -5.981 -10.035 -0.362 1.00 0.00 C ATOM 1198 C SER A 92 -5.675 -9.862 1.122 1.00 0.00 C ATOM 1199 O SER A 92 -4.570 -10.161 1.582 1.00 0.00 O ATOM 1200 CB SER A 92 -6.516 -11.435 -0.635 1.00 0.00 C ATOM 1201 OG SER A 92 -6.607 -11.665 -2.033 1.00 0.00 O ATOM 0 H SER A 92 -4.287 -10.681 -1.393 1.00 0.00 H new ATOM 0 HA SER A 92 -6.732 -9.293 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.860 -12.177 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.498 -11.552 -0.176 1.00 0.00 H new ATOM 0 HG SER A 92 -7.082 -10.920 -2.457 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.679 -9.377 1.853 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.617 -9.193 3.309 1.00 0.00 C ATOM 1209 C ASP A 93 -6.129 -10.461 4.003 1.00 0.00 C ATOM 1210 O ASP A 93 -5.524 -10.412 5.074 1.00 0.00 O ATOM 1211 CB ASP A 93 -8.016 -8.821 3.820 1.00 0.00 C ATOM 1212 CG ASP A 93 -8.107 -8.703 5.333 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.684 -7.670 5.883 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.640 -9.635 5.974 1.00 0.00 O ATOM 0 H ASP A 93 -7.572 -9.096 1.448 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.909 -8.396 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.316 -7.873 3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.728 -9.573 3.480 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.387 -11.589 3.362 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.036 -12.893 3.898 1.00 0.00 C ATOM 1221 C GLU A 94 -4.534 -13.148 3.777 1.00 0.00 C ATOM 1222 O GLU A 94 -3.886 -13.560 4.737 1.00 0.00 O ATOM 1223 CB GLU A 94 -6.801 -13.991 3.147 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.124 -13.530 2.543 1.00 0.00 C ATOM 1225 CD GLU A 94 -8.883 -14.657 1.876 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.274 -15.405 1.081 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.092 -14.805 2.141 1.00 0.00 O ATOM 0 H GLU A 94 -6.847 -11.626 2.452 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.309 -12.910 4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.167 -14.380 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.995 -14.816 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.744 -13.093 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.932 -12.744 1.813 1.00 0.00 H new ATOM 1234 N ASP A 95 -3.983 -12.882 2.596 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.589 -13.215 2.297 1.00 0.00 C ATOM 1236 C ASP A 95 -1.633 -12.186 2.876 1.00 0.00 C ATOM 1237 O ASP A 95 -0.475 -12.494 3.165 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.363 -13.294 0.785 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.293 -14.267 0.099 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.394 -13.845 -0.319 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.928 -15.454 -0.037 1.00 0.00 O ATOM 0 H ASP A 95 -4.481 -12.435 1.826 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.390 -14.184 2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.498 -12.303 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.331 -13.589 0.592 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.125 -10.962 3.045 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.290 -9.847 3.480 1.00 0.00 C ATOM 1248 C VAL A 96 -0.572 -10.170 4.791 1.00 0.00 C ATOM 1249 O VAL A 96 0.564 -9.752 5.012 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.128 -8.549 3.662 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.320 -8.202 5.134 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.497 -7.376 2.928 1.00 0.00 C ATOM 0 H VAL A 96 -3.102 -10.717 2.886 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.548 -9.684 2.698 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.109 -8.744 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.910 -7.289 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.840 -9.018 5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.347 -8.050 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.107 -6.484 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.495 -7.199 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.437 -7.603 1.864 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.234 -10.945 5.639 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.773 -11.153 7.001 1.00 0.00 C ATOM 1264 C VAL A 97 0.504 -11.981 7.037 1.00 0.00 C ATOM 1265 O VAL A 97 1.353 -11.793 7.908 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.869 -11.816 7.866 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.182 -11.075 7.696 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -2.050 -13.285 7.516 1.00 0.00 C ATOM 0 H VAL A 97 -2.094 -11.441 5.405 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.551 -10.172 7.420 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.551 -11.760 8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.949 -11.549 8.309 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.058 -10.038 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.484 -11.105 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.829 -13.716 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.338 -13.377 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.113 -13.817 7.683 1.00 0.00 H new ATOM 1278 N ASP A 98 0.653 -12.876 6.073 1.00 0.00 N ATOM 1279 CA ASP A 98 1.847 -13.687 5.981 1.00 0.00 C ATOM 1280 C ASP A 98 2.925 -12.894 5.269 1.00 0.00 C ATOM 1281 O ASP A 98 4.109 -13.027 5.561 1.00 0.00 O ATOM 1282 CB ASP A 98 1.572 -14.991 5.226 1.00 0.00 C ATOM 1283 CG ASP A 98 0.456 -15.813 5.837 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.735 -16.639 6.734 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -0.706 -15.649 5.419 1.00 0.00 O ATOM 0 H ASP A 98 -0.040 -13.056 5.346 1.00 0.00 H new ATOM 0 HA ASP A 98 2.176 -13.947 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.318 -14.757 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.483 -15.589 5.203 1.00 0.00 H new ATOM 1290 N LEU A 99 2.497 -12.046 4.344 1.00 0.00 N ATOM 1291 CA LEU A 99 3.416 -11.212 3.578 1.00 0.00 C ATOM 1292 C LEU A 99 4.120 -10.209 4.483 1.00 0.00 C ATOM 1293 O LEU A 99 5.345 -10.092 4.467 1.00 0.00 O ATOM 1294 CB LEU A 99 2.661 -10.466 2.473 1.00 0.00 C ATOM 1295 CG LEU A 99 2.178 -11.331 1.310 1.00 0.00 C ATOM 1296 CD1 LEU A 99 1.359 -10.503 0.340 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.357 -11.970 0.592 1.00 0.00 C ATOM 0 H LEU A 99 1.514 -11.916 4.104 1.00 0.00 H new ATOM 0 HA LEU A 99 4.165 -11.862 3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.798 -9.970 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.309 -9.684 2.077 1.00 0.00 H new ATOM 0 HG LEU A 99 1.547 -12.124 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.022 -11.134 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.494 -10.088 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.971 -9.691 -0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.992 -12.582 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.012 -11.190 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.912 -12.596 1.290 1.00 0.00 H new ATOM 1309 N ILE A 100 3.335 -9.511 5.288 1.00 0.00 N ATOM 1310 CA ILE A 100 3.851 -8.442 6.130 1.00 0.00 C ATOM 1311 C ILE A 100 4.610 -8.994 7.340 1.00 0.00 C ATOM 1312 O ILE A 100 5.443 -8.306 7.933 1.00 0.00 O ATOM 1313 CB ILE A 100 2.702 -7.517 6.592 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.909 -7.041 5.372 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.243 -6.334 7.386 1.00 0.00 C ATOM 1316 CD1 ILE A 100 0.860 -6.000 5.680 1.00 0.00 C ATOM 0 H ILE A 100 2.331 -9.667 5.377 1.00 0.00 H new ATOM 0 HA ILE A 100 4.555 -7.862 5.533 1.00 0.00 H new ATOM 0 HB ILE A 100 2.037 -8.077 7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.604 -6.633 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.425 -7.901 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.416 -5.698 7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.775 -6.698 8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.926 -5.759 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.346 -5.719 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.139 -6.408 6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.336 -5.120 6.113 1.00 0.00 H new ATOM 1328 N SER A 101 4.334 -10.239 7.695 1.00 0.00 N ATOM 1329 CA SER A 101 5.014 -10.873 8.815 1.00 0.00 C ATOM 1330 C SER A 101 6.351 -11.471 8.371 1.00 0.00 C ATOM 1331 O SER A 101 7.287 -11.593 9.164 1.00 0.00 O ATOM 1332 CB SER A 101 4.122 -11.957 9.431 1.00 0.00 C ATOM 1333 OG SER A 101 4.722 -12.536 10.576 1.00 0.00 O ATOM 0 H SER A 101 3.647 -10.829 7.226 1.00 0.00 H new ATOM 0 HA SER A 101 5.215 -10.113 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.159 -11.525 9.703 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.926 -12.732 8.690 1.00 0.00 H new ATOM 0 HG SER A 101 4.040 -12.683 11.264 1.00 0.00 H new ATOM 1339 N GLY A 102 6.444 -11.815 7.092 1.00 0.00 N ATOM 1340 CA GLY A 102 7.637 -12.470 6.587 1.00 0.00 C ATOM 1341 C GLY A 102 7.454 -13.969 6.478 1.00 0.00 C ATOM 1342 O GLY A 102 8.424 -14.726 6.438 1.00 0.00 O ATOM 0 H GLY A 102 5.716 -11.653 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.888 -12.063 5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.477 -12.254 7.247 1.00 0.00 H new ATOM 1346 N LYS A 103 6.201 -14.387 6.411 1.00 0.00 N ATOM 1347 CA LYS A 103 5.846 -15.799 6.369 1.00 0.00 C ATOM 1348 C LYS A 103 5.589 -16.263 4.943 1.00 0.00 C ATOM 1349 O LYS A 103 6.000 -17.352 4.549 1.00 0.00 O ATOM 1350 CB LYS A 103 4.595 -16.028 7.213 1.00 0.00 C ATOM 1351 CG LYS A 103 4.850 -15.927 8.709 1.00 0.00 C ATOM 1352 CD LYS A 103 3.560 -15.992 9.505 1.00 0.00 C ATOM 1353 CE LYS A 103 3.821 -15.868 10.995 1.00 0.00 C ATOM 1354 NZ LYS A 103 2.562 -15.885 11.787 1.00 0.00 N ATOM 0 H LYS A 103 5.399 -13.757 6.384 1.00 0.00 H new ATOM 0 HA LYS A 103 6.681 -16.376 6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.837 -15.298 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.188 -17.014 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.511 -16.736 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.366 -14.992 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.892 -15.193 9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 103 3.052 -16.934 9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.464 -16.686 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.360 -14.942 11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.787 -15.798 12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.959 -15.089 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.059 -16.780 11.620 1.00 0.00 H new ATOM 1368 N LEU A 104 4.905 -15.430 4.177 1.00 0.00 N ATOM 1369 CA LEU A 104 4.580 -15.759 2.800 1.00 0.00 C ATOM 1370 C LEU A 104 5.512 -15.035 1.839 1.00 0.00 C ATOM 1371 O LEU A 104 5.682 -13.818 1.918 1.00 0.00 O ATOM 1372 CB LEU A 104 3.119 -15.399 2.522 1.00 0.00 C ATOM 1373 CG LEU A 104 2.659 -15.469 1.061 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.864 -16.862 0.491 1.00 0.00 C ATOM 1375 CD2 LEU A 104 1.196 -15.059 0.949 1.00 0.00 C ATOM 0 H LEU A 104 4.564 -14.520 4.486 1.00 0.00 H new ATOM 0 HA LEU A 104 4.716 -16.830 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.487 -16.064 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.943 -14.387 2.886 1.00 0.00 H new ATOM 0 HG LEU A 104 3.265 -14.774 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.529 -16.884 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.922 -17.122 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.288 -17.582 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.882 -15.113 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.583 -15.732 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.075 -14.038 1.312 1.00 0.00 H new ATOM 1387 N ASN A 105 6.130 -15.803 0.953 1.00 0.00 N ATOM 1388 CA ASN A 105 7.000 -15.252 -0.074 1.00 0.00 C ATOM 1389 C ASN A 105 6.183 -14.464 -1.090 1.00 0.00 C ATOM 1390 O ASN A 105 5.273 -15.011 -1.721 1.00 0.00 O ATOM 1391 CB ASN A 105 7.761 -16.376 -0.791 1.00 0.00 C ATOM 1392 CG ASN A 105 8.805 -17.043 0.084 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.515 -18.005 0.793 1.00 0.00 O ATOM 1394 ND2 ASN A 105 10.028 -16.548 0.034 1.00 0.00 N ATOM 0 H ASN A 105 6.043 -16.819 0.926 1.00 0.00 H new ATOM 0 HA ASN A 105 7.717 -14.586 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.049 -17.127 -1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.246 -15.969 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.770 -16.965 0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.231 -15.749 -0.566 1.00 0.00 H new ATOM 1401 N PRO A 106 6.492 -13.171 -1.278 1.00 0.00 N ATOM 1402 CA PRO A 106 5.821 -12.353 -2.280 1.00 0.00 C ATOM 1403 C PRO A 106 6.192 -12.827 -3.670 1.00 0.00 C ATOM 1404 O PRO A 106 5.481 -12.590 -4.636 1.00 0.00 O ATOM 1405 CB PRO A 106 6.324 -10.926 -2.035 1.00 0.00 C ATOM 1406 CG PRO A 106 7.198 -10.981 -0.823 1.00 0.00 C ATOM 1407 CD PRO A 106 7.528 -12.424 -0.553 1.00 0.00 C ATOM 0 HA PRO A 106 4.735 -12.413 -2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.881 -10.558 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.489 -10.243 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.109 -10.405 -0.984 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.689 -10.540 0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.526 -12.678 -0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.505 -12.645 0.514 1.00 0.00 H new ATOM 1415 N GLN A 107 7.315 -13.524 -3.735 1.00 0.00 N ATOM 1416 CA GLN A 107 7.793 -14.136 -4.962 1.00 0.00 C ATOM 1417 C GLN A 107 6.825 -15.210 -5.440 1.00 0.00 C ATOM 1418 O GLN A 107 6.338 -15.168 -6.571 1.00 0.00 O ATOM 1419 CB GLN A 107 9.148 -14.764 -4.697 1.00 0.00 C ATOM 1420 CG GLN A 107 10.094 -14.708 -5.865 1.00 0.00 C ATOM 1421 CD GLN A 107 11.436 -15.340 -5.557 1.00 0.00 C ATOM 1422 OE1 GLN A 107 12.111 -15.854 -6.446 1.00 0.00 O ATOM 1423 NE2 GLN A 107 11.831 -15.316 -4.293 1.00 0.00 N ATOM 0 H GLN A 107 7.924 -13.681 -2.932 1.00 0.00 H new ATOM 0 HA GLN A 107 7.871 -13.372 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.609 -14.261 -3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.003 -15.806 -4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.644 -15.217 -6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.244 -13.669 -6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.243 -14.880 -3.583 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.723 -15.734 -4.030 1.00 0.00 H new ATOM 1432 N LYS A 108 6.553 -16.181 -4.572 1.00 0.00 N ATOM 1433 CA LYS A 108 5.611 -17.243 -4.901 1.00 0.00 C ATOM 1434 C LYS A 108 4.222 -16.661 -5.075 1.00 0.00 C ATOM 1435 O LYS A 108 3.466 -17.087 -5.941 1.00 0.00 O ATOM 1436 CB LYS A 108 5.590 -18.348 -3.828 1.00 0.00 C ATOM 1437 CG LYS A 108 4.825 -17.996 -2.551 1.00 0.00 C ATOM 1438 CD LYS A 108 3.631 -18.913 -2.323 1.00 0.00 C ATOM 1439 CE LYS A 108 2.385 -18.420 -3.039 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.692 -17.339 -2.301 1.00 0.00 N ATOM 0 H LYS A 108 6.968 -16.253 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 108 5.939 -17.700 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.149 -19.246 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.618 -18.594 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.499 -18.061 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.482 -16.963 -2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.874 -19.917 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.429 -18.986 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.659 -18.060 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.699 -19.255 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.899 -16.982 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.330 -17.711 -1.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.360 -16.564 -2.113 1.00 0.00 H new ATOM 1454 N ALA A 109 3.888 -15.673 -4.252 1.00 0.00 N ATOM 1455 CA ALA A 109 2.566 -15.074 -4.313 1.00 0.00 C ATOM 1456 C ALA A 109 2.396 -14.321 -5.628 1.00 0.00 C ATOM 1457 O ALA A 109 1.305 -14.268 -6.191 1.00 0.00 O ATOM 1458 CB ALA A 109 2.339 -14.153 -3.128 1.00 0.00 C ATOM 0 H ALA A 109 4.507 -15.276 -3.545 1.00 0.00 H new ATOM 0 HA ALA A 109 1.819 -15.866 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.343 -13.715 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.425 -14.723 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.086 -13.359 -3.136 1.00 0.00 H new ATOM 1464 N PHE A 110 3.493 -13.745 -6.106 1.00 0.00 N ATOM 1465 CA PHE A 110 3.526 -13.075 -7.400 1.00 0.00 C ATOM 1466 C PHE A 110 3.198 -14.067 -8.511 1.00 0.00 C ATOM 1467 O PHE A 110 2.326 -13.823 -9.347 1.00 0.00 O ATOM 1468 CB PHE A 110 4.919 -12.470 -7.629 1.00 0.00 C ATOM 1469 CG PHE A 110 5.101 -11.764 -8.947 1.00 0.00 C ATOM 1470 CD1 PHE A 110 5.444 -12.471 -10.090 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.948 -10.390 -9.037 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.624 -11.821 -11.296 1.00 0.00 C ATOM 1473 CE2 PHE A 110 5.129 -9.736 -10.240 1.00 0.00 C ATOM 1474 CZ PHE A 110 5.466 -10.453 -11.369 1.00 0.00 C ATOM 0 H PHE A 110 4.383 -13.729 -5.608 1.00 0.00 H new ATOM 0 HA PHE A 110 2.782 -12.279 -7.411 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.128 -11.765 -6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.660 -13.266 -7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.572 -13.542 -10.037 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.684 -9.824 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.888 -12.383 -12.180 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.007 -8.664 -10.297 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.606 -9.943 -12.311 1.00 0.00 H new ATOM 1484 N PHE A 111 3.901 -15.194 -8.493 1.00 0.00 N ATOM 1485 CA PHE A 111 3.725 -16.245 -9.489 1.00 0.00 C ATOM 1486 C PHE A 111 2.308 -16.805 -9.442 1.00 0.00 C ATOM 1487 O PHE A 111 1.691 -17.067 -10.476 1.00 0.00 O ATOM 1488 CB PHE A 111 4.733 -17.369 -9.236 1.00 0.00 C ATOM 1489 CG PHE A 111 4.718 -18.447 -10.280 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.387 -18.275 -11.480 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.033 -19.632 -10.062 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.374 -19.264 -12.443 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.017 -20.625 -11.022 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.689 -20.440 -12.214 1.00 0.00 C ATOM 0 H PHE A 111 4.608 -15.405 -7.789 1.00 0.00 H new ATOM 0 HA PHE A 111 3.894 -15.817 -10.477 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.734 -16.941 -9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.527 -17.816 -8.263 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.925 -17.357 -11.665 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.506 -19.781 -9.131 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.900 -19.118 -13.375 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.480 -21.544 -10.841 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.679 -21.215 -12.966 1.00 0.00 H new ATOM 1504 N GLN A 112 1.797 -16.965 -8.231 1.00 0.00 N ATOM 1505 CA GLN A 112 0.479 -17.540 -8.006 1.00 0.00 C ATOM 1506 C GLN A 112 -0.640 -16.547 -8.320 1.00 0.00 C ATOM 1507 O GLN A 112 -1.810 -16.819 -8.057 1.00 0.00 O ATOM 1508 CB GLN A 112 0.382 -18.027 -6.559 1.00 0.00 C ATOM 1509 CG GLN A 112 1.188 -19.290 -6.291 1.00 0.00 C ATOM 1510 CD GLN A 112 0.606 -20.518 -6.968 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.032 -20.428 -8.018 1.00 0.00 O ATOM 1512 NE2 GLN A 112 0.824 -21.678 -6.372 1.00 0.00 N ATOM 0 H GLN A 112 2.285 -16.700 -7.375 1.00 0.00 H new ATOM 0 HA GLN A 112 0.351 -18.383 -8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.728 -17.236 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.664 -18.214 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.211 -19.142 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.236 -19.463 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.357 -21.713 -5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.459 -22.538 -6.781 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.278 -15.394 -8.873 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.272 -14.427 -9.307 1.00 0.00 C ATOM 1523 C GLY A 113 -1.896 -13.668 -8.157 1.00 0.00 C ATOM 1524 O GLY A 113 -2.837 -12.899 -8.347 1.00 0.00 O ATOM 0 H GLY A 113 0.689 -15.110 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.807 -13.719 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.055 -14.943 -9.863 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.368 -13.882 -6.966 1.00 0.00 N ATOM 1529 CA LYS A 114 -1.872 -13.223 -5.775 1.00 0.00 C ATOM 1530 C LYS A 114 -1.347 -11.808 -5.688 1.00 0.00 C ATOM 1531 O LYS A 114 -2.102 -10.868 -5.452 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.462 -14.011 -4.533 1.00 0.00 C ATOM 1533 CG LYS A 114 -2.257 -15.287 -4.352 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.347 -15.130 -3.305 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.294 -13.978 -3.609 1.00 0.00 C ATOM 1536 NZ LYS A 114 -5.481 -14.022 -2.721 1.00 0.00 N ATOM 0 H LYS A 114 -0.584 -14.512 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.960 -13.184 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.402 -14.256 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.590 -13.382 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.705 -15.574 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.586 -16.095 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.918 -16.056 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.887 -14.969 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.773 -13.029 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.612 -14.028 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.960 -13.099 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.136 -14.758 -3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.180 -14.240 -1.750 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.049 -11.674 -5.888 1.00 0.00 N ATOM 1551 CA ILE A 115 0.606 -10.386 -5.839 1.00 0.00 C ATOM 1552 C ILE A 115 0.653 -9.770 -7.235 1.00 0.00 C ATOM 1553 O ILE A 115 1.303 -10.285 -8.148 1.00 0.00 O ATOM 1554 CB ILE A 115 2.014 -10.517 -5.188 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.980 -9.973 -3.775 1.00 0.00 C ATOM 1556 CG2 ILE A 115 3.085 -9.773 -5.948 1.00 0.00 C ATOM 1557 CD1 ILE A 115 3.087 -10.494 -2.903 1.00 0.00 C ATOM 0 H ILE A 115 0.577 -12.454 -6.088 1.00 0.00 H new ATOM 0 HA ILE A 115 0.033 -9.706 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 115 2.260 -11.579 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.039 -8.885 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.022 -10.225 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.044 -9.902 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.151 -10.166 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.835 -8.713 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.999 -10.062 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.016 -11.580 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.050 -10.219 -3.334 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.118 -8.707 -7.405 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.135 -7.955 -8.649 1.00 0.00 C ATOM 1571 C LYS A 116 0.557 -6.623 -8.421 1.00 0.00 C ATOM 1572 O LYS A 116 0.004 -5.737 -7.771 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.573 -7.717 -9.119 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.448 -8.969 -9.153 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.284 -9.764 -10.443 1.00 0.00 C ATOM 1576 CE LYS A 116 -1.007 -10.586 -10.471 1.00 0.00 C ATOM 1577 NZ LYS A 116 -0.881 -11.365 -11.728 1.00 0.00 N ATOM 0 H LYS A 116 -0.746 -8.343 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 116 0.385 -8.524 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.039 -6.982 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.547 -7.281 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.198 -9.605 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.493 -8.681 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.140 -10.427 -10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.287 -9.078 -11.290 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.147 -9.925 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -0.993 -11.266 -9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.003 -11.913 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.689 -12.014 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.868 -10.715 -12.540 1.00 0.00 H new ATOM 1591 N ILE A 117 1.770 -6.492 -8.925 1.00 0.00 N ATOM 1592 CA ILE A 117 2.575 -5.317 -8.658 1.00 0.00 C ATOM 1593 C ILE A 117 3.012 -4.631 -9.955 1.00 0.00 C ATOM 1594 O ILE A 117 3.511 -5.273 -10.884 1.00 0.00 O ATOM 1595 CB ILE A 117 3.784 -5.688 -7.749 1.00 0.00 C ATOM 1596 CG1 ILE A 117 5.067 -4.958 -8.136 1.00 0.00 C ATOM 1597 CG2 ILE A 117 4.019 -7.185 -7.732 1.00 0.00 C ATOM 1598 CD1 ILE A 117 5.103 -3.512 -7.697 1.00 0.00 C ATOM 0 H ILE A 117 2.219 -7.186 -9.522 1.00 0.00 H new ATOM 0 HA ILE A 117 1.965 -4.593 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 117 3.517 -5.358 -6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.918 -5.482 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.187 -5.002 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.869 -7.413 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.131 -7.688 -7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.226 -7.532 -8.744 1.00 0.00 H new ATOM 0 HD11 ILE A 117 6.045 -3.061 -8.008 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.274 -2.972 -8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 117 5.016 -3.459 -6.612 1.00 0.00 H new ATOM 1610 N GLN A 118 2.777 -3.321 -10.004 1.00 0.00 N ATOM 1611 CA GLN A 118 3.134 -2.489 -11.153 1.00 0.00 C ATOM 1612 C GLN A 118 4.645 -2.499 -11.378 1.00 0.00 C ATOM 1613 O GLN A 118 5.420 -2.279 -10.448 1.00 0.00 O ATOM 1614 CB GLN A 118 2.645 -1.058 -10.921 1.00 0.00 C ATOM 1615 CG GLN A 118 2.954 -0.104 -12.062 1.00 0.00 C ATOM 1616 CD GLN A 118 2.534 1.322 -11.757 1.00 0.00 C ATOM 1617 OE1 GLN A 118 1.573 1.558 -11.022 1.00 0.00 O ATOM 1618 NE2 GLN A 118 3.248 2.283 -12.320 1.00 0.00 N ATOM 0 H GLN A 118 2.332 -2.804 -9.245 1.00 0.00 H new ATOM 0 HA GLN A 118 2.654 -2.895 -12.044 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.567 -1.076 -10.758 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.099 -0.674 -10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.023 -0.127 -12.271 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.445 -0.444 -12.964 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.036 2.046 -12.922 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.010 3.260 -12.152 1.00 0.00 H new ATOM 1627 N GLY A 119 5.057 -2.736 -12.614 1.00 0.00 N ATOM 1628 CA GLY A 119 6.466 -2.918 -12.896 1.00 0.00 C ATOM 1629 C GLY A 119 7.253 -1.625 -12.972 1.00 0.00 C ATOM 1630 O GLY A 119 7.398 -1.033 -14.042 1.00 0.00 O ATOM 0 H GLY A 119 4.443 -2.806 -13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 119 6.902 -3.551 -12.123 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.571 -3.451 -13.841 1.00 0.00 H new ATOM 1634 N ASN A 120 7.753 -1.183 -11.828 1.00 0.00 N ATOM 1635 CA ASN A 120 8.753 -0.128 -11.781 1.00 0.00 C ATOM 1636 C ASN A 120 10.087 -0.751 -11.405 1.00 0.00 C ATOM 1637 O ASN A 120 10.420 -0.871 -10.224 1.00 0.00 O ATOM 1638 CB ASN A 120 8.351 0.952 -10.777 1.00 0.00 C ATOM 1639 CG ASN A 120 9.245 2.176 -10.816 1.00 0.00 C ATOM 1640 OD1 ASN A 120 10.447 2.094 -11.076 1.00 0.00 O ATOM 1641 ND2 ASN A 120 8.651 3.323 -10.561 1.00 0.00 N ATOM 0 H ASN A 120 7.480 -1.542 -10.913 1.00 0.00 H new ATOM 0 HA ASN A 120 8.834 0.352 -12.756 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.323 1.256 -10.974 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.371 0.529 -9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.189 4.190 -10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.653 3.345 -10.350 1.00 0.00 H new ATOM 1648 N MET A 121 10.818 -1.163 -12.434 1.00 0.00 N ATOM 1649 CA MET A 121 12.006 -2.004 -12.296 1.00 0.00 C ATOM 1650 C MET A 121 12.940 -1.541 -11.188 1.00 0.00 C ATOM 1651 O MET A 121 13.197 -2.281 -10.244 1.00 0.00 O ATOM 1652 CB MET A 121 12.778 -2.062 -13.618 1.00 0.00 C ATOM 1653 CG MET A 121 12.031 -2.758 -14.748 1.00 0.00 C ATOM 1654 SD MET A 121 10.601 -1.825 -15.331 1.00 0.00 S ATOM 1655 CE MET A 121 9.989 -2.921 -16.608 1.00 0.00 C ATOM 0 H MET A 121 10.602 -0.921 -13.401 1.00 0.00 H new ATOM 0 HA MET A 121 11.646 -2.997 -12.026 1.00 0.00 H new ATOM 0 HB2 MET A 121 13.020 -1.046 -13.929 1.00 0.00 H new ATOM 0 HB3 MET A 121 13.724 -2.578 -13.451 1.00 0.00 H new ATOM 0 HG2 MET A 121 12.715 -2.922 -15.581 1.00 0.00 H new ATOM 0 HG3 MET A 121 11.702 -3.740 -14.408 1.00 0.00 H new ATOM 0 HE1 MET A 121 9.102 -2.485 -17.068 1.00 0.00 H new ATOM 0 HE2 MET A 121 10.759 -3.061 -17.367 1.00 0.00 H new ATOM 0 HE3 MET A 121 9.733 -3.885 -16.168 1.00 0.00 H new ATOM 1665 N GLY A 122 13.411 -0.310 -11.280 1.00 0.00 N ATOM 1666 CA GLY A 122 14.461 0.142 -10.384 1.00 0.00 C ATOM 1667 C GLY A 122 13.984 0.310 -8.959 1.00 0.00 C ATOM 1668 O GLY A 122 14.775 0.279 -8.018 1.00 0.00 O ATOM 0 H GLY A 122 13.090 0.385 -11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 122 15.283 -0.573 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.856 1.092 -10.744 1.00 0.00 H new ATOM 1672 N LEU A 123 12.688 0.484 -8.802 1.00 0.00 N ATOM 1673 CA LEU A 123 12.110 0.735 -7.500 1.00 0.00 C ATOM 1674 C LEU A 123 11.704 -0.577 -6.829 1.00 0.00 C ATOM 1675 O LEU A 123 12.143 -0.885 -5.723 1.00 0.00 O ATOM 1676 CB LEU A 123 10.918 1.677 -7.661 1.00 0.00 C ATOM 1677 CG LEU A 123 10.515 2.465 -6.414 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.094 3.868 -6.808 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.386 1.764 -5.678 1.00 0.00 C ATOM 0 H LEU A 123 12.012 0.456 -9.566 1.00 0.00 H new ATOM 0 HA LEU A 123 12.848 1.209 -6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.145 2.386 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.059 1.092 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 123 11.373 2.524 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.808 4.426 -5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.925 4.373 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.246 3.815 -7.491 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.114 2.341 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.521 1.679 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 123 9.712 0.769 -5.376 1.00 0.00 H new ATOM 1691 N ALA A 124 10.905 -1.374 -7.530 1.00 0.00 N ATOM 1692 CA ALA A 124 10.361 -2.606 -6.965 1.00 0.00 C ATOM 1693 C ALA A 124 11.421 -3.702 -6.865 1.00 0.00 C ATOM 1694 O ALA A 124 11.210 -4.708 -6.187 1.00 0.00 O ATOM 1695 CB ALA A 124 9.177 -3.089 -7.788 1.00 0.00 C ATOM 0 H ALA A 124 10.619 -1.190 -8.492 1.00 0.00 H new ATOM 0 HA ALA A 124 10.024 -2.382 -5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.783 -4.008 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.399 -2.326 -7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.499 -3.280 -8.812 1.00 0.00 H new ATOM 1701 N MET A 125 12.560 -3.528 -7.532 1.00 0.00 N ATOM 1702 CA MET A 125 13.652 -4.485 -7.389 1.00 0.00 C ATOM 1703 C MET A 125 14.311 -4.357 -6.025 1.00 0.00 C ATOM 1704 O MET A 125 14.948 -5.290 -5.549 1.00 0.00 O ATOM 1705 CB MET A 125 14.681 -4.329 -8.498 1.00 0.00 C ATOM 1706 CG MET A 125 14.247 -4.994 -9.787 1.00 0.00 C ATOM 1707 SD MET A 125 13.955 -6.763 -9.589 1.00 0.00 S ATOM 1708 CE MET A 125 13.433 -7.203 -11.244 1.00 0.00 C ATOM 0 H MET A 125 12.748 -2.750 -8.164 1.00 0.00 H new ATOM 0 HA MET A 125 13.223 -5.484 -7.472 1.00 0.00 H new ATOM 0 HB2 MET A 125 14.856 -3.269 -8.681 1.00 0.00 H new ATOM 0 HB3 MET A 125 15.629 -4.757 -8.173 1.00 0.00 H new ATOM 0 HG2 MET A 125 13.336 -4.517 -10.149 1.00 0.00 H new ATOM 0 HG3 MET A 125 15.012 -4.838 -10.548 1.00 0.00 H new ATOM 0 HE1 MET A 125 13.215 -8.270 -11.285 1.00 0.00 H new ATOM 0 HE2 MET A 125 12.538 -6.639 -11.505 1.00 0.00 H new ATOM 0 HE3 MET A 125 14.229 -6.968 -11.951 1.00 0.00 H new ATOM 1718 N LYS A 126 14.146 -3.205 -5.383 1.00 0.00 N ATOM 1719 CA LYS A 126 14.640 -3.039 -4.025 1.00 0.00 C ATOM 1720 C LYS A 126 13.600 -3.568 -3.047 1.00 0.00 C ATOM 1721 O LYS A 126 13.937 -4.067 -1.978 1.00 0.00 O ATOM 1722 CB LYS A 126 14.974 -1.574 -3.726 1.00 0.00 C ATOM 1723 CG LYS A 126 15.712 -1.367 -2.407 1.00 0.00 C ATOM 1724 CD LYS A 126 17.101 -2.000 -2.405 1.00 0.00 C ATOM 1725 CE LYS A 126 18.159 -1.092 -3.028 1.00 0.00 C ATOM 1726 NZ LYS A 126 17.997 -0.931 -4.498 1.00 0.00 N ATOM 0 H LYS A 126 13.682 -2.386 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 126 15.564 -3.607 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 126 15.583 -1.177 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 126 14.050 -0.997 -3.709 1.00 0.00 H new ATOM 0 HG2 LYS A 126 15.803 -0.299 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.122 -1.792 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 126 17.388 -2.236 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.068 -2.942 -2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.113 -0.112 -2.554 1.00 0.00 H new ATOM 0 HE3 LYS A 126 19.148 -1.500 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.932 -0.823 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.524 -1.770 -4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.422 -0.087 -4.693 1.00 0.00 H new ATOM 1740 N LEU A 127 12.330 -3.459 -3.430 1.00 0.00 N ATOM 1741 CA LEU A 127 11.253 -4.158 -2.737 1.00 0.00 C ATOM 1742 C LEU A 127 11.578 -5.643 -2.736 1.00 0.00 C ATOM 1743 O LEU A 127 11.471 -6.336 -1.724 1.00 0.00 O ATOM 1744 CB LEU A 127 9.920 -3.931 -3.465 1.00 0.00 C ATOM 1745 CG LEU A 127 9.238 -2.569 -3.274 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.456 -2.544 -1.981 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.235 -1.429 -3.289 1.00 0.00 C ATOM 0 H LEU A 127 12.022 -2.891 -4.219 1.00 0.00 H new ATOM 0 HA LEU A 127 11.163 -3.782 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.089 -4.077 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 127 9.224 -4.705 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 127 8.557 -2.432 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.980 -1.571 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.692 -3.322 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.131 -2.722 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.709 -0.484 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 127 10.955 -1.565 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 127 10.759 -1.416 -4.245 1.00 0.00 H new ATOM 1759 N THR A 128 11.991 -6.101 -3.904 1.00 0.00 N ATOM 1760 CA THR A 128 12.478 -7.447 -4.099 1.00 0.00 C ATOM 1761 C THR A 128 13.722 -7.704 -3.246 1.00 0.00 C ATOM 1762 O THR A 128 13.831 -8.732 -2.582 1.00 0.00 O ATOM 1763 CB THR A 128 12.803 -7.662 -5.583 1.00 0.00 C ATOM 1764 OG1 THR A 128 11.603 -7.601 -6.366 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.507 -8.981 -5.813 1.00 0.00 C ATOM 0 H THR A 128 11.996 -5.537 -4.754 1.00 0.00 H new ATOM 0 HA THR A 128 11.704 -8.149 -3.790 1.00 0.00 H new ATOM 0 HB THR A 128 13.478 -6.865 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.289 -6.674 -6.411 1.00 0.00 H new ATOM 0 HG21 THR A 128 13.721 -9.099 -6.875 1.00 0.00 H new ATOM 0 HG22 THR A 128 14.440 -8.998 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 128 12.867 -9.798 -5.479 1.00 0.00 H new ATOM 1773 N ASP A 129 14.645 -6.748 -3.258 1.00 0.00 N ATOM 1774 CA ASP A 129 15.899 -6.853 -2.514 1.00 0.00 C ATOM 1775 C ASP A 129 15.631 -7.052 -1.024 1.00 0.00 C ATOM 1776 O ASP A 129 16.316 -7.829 -0.358 1.00 0.00 O ATOM 1777 CB ASP A 129 16.734 -5.591 -2.733 1.00 0.00 C ATOM 1778 CG ASP A 129 18.177 -5.748 -2.302 1.00 0.00 C ATOM 1779 OD1 ASP A 129 18.479 -5.551 -1.109 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.026 -6.040 -3.171 1.00 0.00 O ATOM 0 H ASP A 129 14.547 -5.879 -3.783 1.00 0.00 H new ATOM 0 HA ASP A 129 16.450 -7.720 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.704 -5.322 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.285 -4.765 -2.181 1.00 0.00 H new ATOM 1785 N LEU A 130 14.614 -6.360 -0.519 1.00 0.00 N ATOM 1786 CA LEU A 130 14.212 -6.479 0.879 1.00 0.00 C ATOM 1787 C LEU A 130 13.845 -7.915 1.230 1.00 0.00 C ATOM 1788 O LEU A 130 14.278 -8.444 2.251 1.00 0.00 O ATOM 1789 CB LEU A 130 13.041 -5.556 1.181 1.00 0.00 C ATOM 1790 CG LEU A 130 13.353 -4.062 1.092 1.00 0.00 C ATOM 1791 CD1 LEU A 130 12.414 -3.299 1.990 1.00 0.00 C ATOM 1792 CD2 LEU A 130 14.800 -3.770 1.472 1.00 0.00 C ATOM 0 H LEU A 130 14.050 -5.706 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 130 15.064 -6.184 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 130 12.231 -5.784 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 130 12.675 -5.776 2.184 1.00 0.00 H new ATOM 0 HG LEU A 130 13.214 -3.743 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 130 12.636 -2.234 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 130 11.386 -3.475 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.540 -3.636 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.987 -2.699 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 130 14.981 -4.100 2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.468 -4.303 0.796 1.00 0.00 H new ATOM 1804 N GLN A 131 13.054 -8.554 0.377 1.00 0.00 N ATOM 1805 CA GLN A 131 12.656 -9.935 0.617 1.00 0.00 C ATOM 1806 C GLN A 131 13.768 -10.903 0.209 1.00 0.00 C ATOM 1807 O GLN A 131 13.786 -12.053 0.642 1.00 0.00 O ATOM 1808 CB GLN A 131 11.319 -10.261 -0.075 1.00 0.00 C ATOM 1809 CG GLN A 131 11.254 -9.914 -1.556 1.00 0.00 C ATOM 1810 CD GLN A 131 11.424 -11.125 -2.454 1.00 0.00 C ATOM 1811 OE1 GLN A 131 10.453 -11.791 -2.806 1.00 0.00 O ATOM 1812 NE2 GLN A 131 12.654 -11.408 -2.842 1.00 0.00 N ATOM 0 H GLN A 131 12.679 -8.144 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 131 12.495 -10.061 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 131 11.118 -11.326 0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.521 -9.728 0.442 1.00 0.00 H new ATOM 0 HG2 GLN A 131 10.296 -9.440 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 131 12.030 -9.184 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 131 13.434 -10.830 -2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.825 -12.204 -3.456 1.00 0.00 H new ATOM 1821 N ARG A 132 14.703 -10.429 -0.614 1.00 0.00 N ATOM 1822 CA ARG A 132 15.878 -11.221 -0.978 1.00 0.00 C ATOM 1823 C ARG A 132 16.796 -11.389 0.225 1.00 0.00 C ATOM 1824 O ARG A 132 17.186 -12.504 0.569 1.00 0.00 O ATOM 1825 CB ARG A 132 16.657 -10.570 -2.129 1.00 0.00 C ATOM 1826 CG ARG A 132 16.004 -10.712 -3.492 1.00 0.00 C ATOM 1827 CD ARG A 132 15.869 -12.169 -3.907 1.00 0.00 C ATOM 1828 NE ARG A 132 15.259 -12.313 -5.227 1.00 0.00 N ATOM 1829 CZ ARG A 132 14.760 -13.457 -5.696 1.00 0.00 C ATOM 1830 NH1 ARG A 132 14.830 -14.566 -4.970 1.00 0.00 N ATOM 1831 NH2 ARG A 132 14.201 -13.495 -6.896 1.00 0.00 N ATOM 0 H ARG A 132 14.670 -9.503 -1.040 1.00 0.00 H new ATOM 0 HA ARG A 132 15.527 -12.199 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.785 -9.510 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 132 17.654 -11.009 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 132 15.018 -10.247 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 132 16.594 -10.176 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.854 -12.637 -3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 132 15.267 -12.700 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 132 15.212 -11.489 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 132 15.267 -14.546 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 132 14.447 -15.439 -5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 132 14.152 -12.648 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 132 13.820 -14.371 -7.253 1.00 0.00 H new ATOM 1845 N GLN A 133 17.131 -10.278 0.875 1.00 0.00 N ATOM 1846 CA GLN A 133 17.984 -10.321 2.057 1.00 0.00 C ATOM 1847 C GLN A 133 17.275 -11.045 3.197 1.00 0.00 C ATOM 1848 O GLN A 133 17.906 -11.723 4.008 1.00 0.00 O ATOM 1849 CB GLN A 133 18.391 -8.913 2.501 1.00 0.00 C ATOM 1850 CG GLN A 133 17.221 -8.036 2.903 1.00 0.00 C ATOM 1851 CD GLN A 133 17.649 -6.778 3.629 1.00 0.00 C ATOM 1852 OE1 GLN A 133 17.883 -5.734 3.018 1.00 0.00 O ATOM 1853 NE2 GLN A 133 17.755 -6.868 4.946 1.00 0.00 N ATOM 0 H GLN A 133 16.827 -9.343 0.605 1.00 0.00 H new ATOM 0 HA GLN A 133 18.889 -10.869 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 133 19.080 -8.992 3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 133 18.934 -8.429 1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 133 16.657 -7.761 2.012 1.00 0.00 H new ATOM 0 HG3 GLN A 133 16.548 -8.607 3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 133 17.552 -7.751 5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 133 18.039 -6.054 5.492 1.00 0.00 H new ATOM 1862 N ALA A 134 15.950 -10.924 3.226 1.00 0.00 N ATOM 1863 CA ALA A 134 15.139 -11.533 4.272 1.00 0.00 C ATOM 1864 C ALA A 134 14.969 -13.035 4.052 1.00 0.00 C ATOM 1865 O ALA A 134 14.256 -13.704 4.796 1.00 0.00 O ATOM 1866 CB ALA A 134 13.781 -10.853 4.345 1.00 0.00 C ATOM 0 H ALA A 134 15.414 -10.405 2.530 1.00 0.00 H new ATOM 0 HA ALA A 134 15.660 -11.396 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 134 13.184 -11.317 5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 134 13.916 -9.795 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 134 13.269 -10.960 3.389 1.00 0.00 H new ATOM 1872 N ALA A 135 15.636 -13.564 3.034 1.00 0.00 N ATOM 1873 CA ALA A 135 15.574 -14.988 2.735 1.00 0.00 C ATOM 1874 C ALA A 135 16.615 -15.760 3.540 1.00 0.00 C ATOM 1875 O ALA A 135 16.926 -16.913 3.231 1.00 0.00 O ATOM 1876 CB ALA A 135 15.771 -15.227 1.245 1.00 0.00 C ATOM 0 H ALA A 135 16.227 -13.026 2.400 1.00 0.00 H new ATOM 0 HA ALA A 135 14.587 -15.352 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 135 15.722 -16.296 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 135 14.988 -14.713 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 135 16.745 -14.843 0.941 1.00 0.00 H new ATOM 1882 N GLY A 136 17.154 -15.120 4.571 1.00 0.00 N ATOM 1883 CA GLY A 136 18.144 -15.766 5.409 1.00 0.00 C ATOM 1884 C GLY A 136 19.500 -15.822 4.744 1.00 0.00 C ATOM 1885 O GLY A 136 20.138 -16.873 4.700 1.00 0.00 O ATOM 0 H GLY A 136 16.922 -14.164 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 136 18.226 -15.228 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 136 17.814 -16.778 5.645 1.00 0.00 H new ATOM 1889 N ARG A 137 19.937 -14.690 4.214 1.00 0.00 N ATOM 1890 CA ARG A 137 21.218 -14.616 3.527 1.00 0.00 C ATOM 1891 C ARG A 137 22.368 -14.528 4.519 1.00 0.00 C ATOM 1892 O ARG A 137 22.306 -13.790 5.505 1.00 0.00 O ATOM 1893 CB ARG A 137 21.252 -13.418 2.577 1.00 0.00 C ATOM 1894 CG ARG A 137 20.513 -13.656 1.270 1.00 0.00 C ATOM 1895 CD ARG A 137 21.076 -14.863 0.535 1.00 0.00 C ATOM 1896 NE ARG A 137 20.569 -14.971 -0.829 1.00 0.00 N ATOM 1897 CZ ARG A 137 20.833 -15.993 -1.643 1.00 0.00 C ATOM 1898 NH1 ARG A 137 21.533 -17.034 -1.208 1.00 0.00 N ATOM 1899 NH2 ARG A 137 20.382 -15.978 -2.891 1.00 0.00 N ATOM 0 H ARG A 137 19.423 -13.809 4.246 1.00 0.00 H new ATOM 0 HA ARG A 137 21.336 -15.530 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 137 20.816 -12.554 3.079 1.00 0.00 H new ATOM 0 HB3 ARG A 137 22.290 -13.168 2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 137 19.453 -13.811 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 137 20.592 -12.772 0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 137 22.164 -14.795 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 137 20.825 -15.770 1.086 1.00 0.00 H new ATOM 0 HE ARG A 137 19.977 -14.219 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 137 21.872 -17.055 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 137 21.732 -17.813 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 137 19.834 -15.185 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 137 20.583 -16.759 -3.515 1.00 0.00 H new ATOM 1913 N ILE A 138 23.405 -15.308 4.252 1.00 0.00 N ATOM 1914 CA ILE A 138 24.609 -15.313 5.067 1.00 0.00 C ATOM 1915 C ILE A 138 25.581 -14.255 4.566 1.00 0.00 C ATOM 1916 O ILE A 138 25.884 -13.291 5.266 1.00 0.00 O ATOM 1917 CB ILE A 138 25.312 -16.701 5.052 1.00 0.00 C ATOM 1918 CG1 ILE A 138 24.538 -17.726 5.893 1.00 0.00 C ATOM 1919 CG2 ILE A 138 26.753 -16.595 5.540 1.00 0.00 C ATOM 1920 CD1 ILE A 138 23.254 -18.212 5.254 1.00 0.00 C ATOM 0 H ILE A 138 23.435 -15.955 3.464 1.00 0.00 H new ATOM 0 HA ILE A 138 24.310 -15.093 6.092 1.00 0.00 H new ATOM 0 HB ILE A 138 25.325 -17.047 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 138 25.183 -18.584 6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 138 24.304 -17.282 6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 138 27.218 -17.581 5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 138 27.308 -15.918 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 138 26.764 -16.211 6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 138 22.770 -18.933 5.913 1.00 0.00 H new ATOM 0 HD12 ILE A 138 22.587 -17.366 5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 138 23.480 -18.688 4.300 1.00 0.00 H new ATOM 1932 N GLU A 139 26.064 -14.438 3.348 1.00 0.00 N ATOM 1933 CA GLU A 139 27.042 -13.531 2.782 1.00 0.00 C ATOM 1934 C GLU A 139 26.376 -12.563 1.807 1.00 0.00 C ATOM 1935 O GLU A 139 25.320 -12.869 1.249 1.00 0.00 O ATOM 1936 CB GLU A 139 28.156 -14.330 2.102 1.00 0.00 C ATOM 1937 CG GLU A 139 29.346 -13.483 1.679 1.00 0.00 C ATOM 1938 CD GLU A 139 29.901 -12.660 2.823 1.00 0.00 C ATOM 1939 OE1 GLU A 139 29.348 -11.575 3.101 1.00 0.00 O ATOM 1940 OE2 GLU A 139 30.890 -13.091 3.449 1.00 0.00 O ATOM 0 H GLU A 139 25.793 -15.207 2.735 1.00 0.00 H new ATOM 0 HA GLU A 139 27.485 -12.937 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 139 28.500 -15.109 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 139 27.748 -14.831 1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 139 30.130 -14.131 1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 139 29.047 -12.819 0.868 1.00 0.00 H new ATOM 1947 N SER A 140 27.000 -11.399 1.626 1.00 0.00 N ATOM 1948 CA SER A 140 26.483 -10.352 0.752 1.00 0.00 C ATOM 1949 C SER A 140 25.165 -9.818 1.311 1.00 0.00 C ATOM 1950 O SER A 140 24.128 -9.842 0.647 1.00 0.00 O ATOM 1951 CB SER A 140 26.303 -10.880 -0.678 1.00 0.00 C ATOM 1952 OG SER A 140 26.163 -9.819 -1.611 1.00 0.00 O ATOM 0 H SER A 140 27.879 -11.158 2.083 1.00 0.00 H new ATOM 0 HA SER A 140 27.202 -9.533 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 140 27.161 -11.495 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 140 25.424 -11.523 -0.722 1.00 0.00 H new ATOM 0 HG SER A 140 26.052 -10.188 -2.512 1.00 0.00 H new ATOM 1958 N ILE A 141 25.225 -9.328 2.541 1.00 0.00 N ATOM 1959 CA ILE A 141 24.047 -8.856 3.246 1.00 0.00 C ATOM 1960 C ILE A 141 24.236 -7.404 3.696 1.00 0.00 C ATOM 1961 O ILE A 141 23.487 -6.528 3.219 1.00 0.00 O ATOM 1962 CB ILE A 141 23.715 -9.772 4.456 1.00 0.00 C ATOM 1963 CG1 ILE A 141 22.551 -9.209 5.274 1.00 0.00 C ATOM 1964 CG2 ILE A 141 24.937 -9.987 5.340 1.00 0.00 C ATOM 1965 CD1 ILE A 141 21.229 -9.230 4.541 1.00 0.00 C ATOM 1966 OXT ILE A 141 25.164 -7.134 4.488 1.00 0.00 O ATOM 0 H ILE A 141 26.090 -9.248 3.075 1.00 0.00 H new ATOM 0 HA ILE A 141 23.202 -8.895 2.558 1.00 0.00 H new ATOM 0 HB ILE A 141 23.412 -10.740 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 141 22.455 -9.783 6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 141 22.782 -8.183 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 141 24.671 -10.632 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 141 25.729 -10.457 4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 141 25.286 -9.026 5.719 1.00 0.00 H new ATOM 0 HD11 ILE A 141 20.451 -8.816 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 141 21.307 -8.632 3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 141 20.975 -10.257 4.279 1.00 0.00 H new TER 1978 ILE A 141