USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 138 THR OG1 : rot -79:sc= -0.126 USER MOD Set 1.2: A 140 SER OG : rot 156:sc= -1.78 USER MOD Set 2.1: A 125 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.8!) USER MOD Set 2.2: A 126 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 101 SER OG : rot 100:sc= -0.586 USER MOD Set 3.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 56 TYR OH : rot -15:sc= -0.473 USER MOD Set 4.2: A 118 HIS : no HD1:sc= -7.04! C(o=-7.5!,f=-15!) USER MOD Set 5.1: A 51 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 55 ASN : amide:sc= -2.6 X(o=-2.6,f=-2.7) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 160:sc= -1.11 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -13:sc= 0.566 USER MOD Single : A 82 ASN : amide:sc= -2.14 K(o=-2.1,f=-3!) USER MOD Single : A 85 SER OG : rot -107:sc= 0.355 USER MOD Single : A 86 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.8!) USER MOD Single : A 87 ASN : amide:sc= -0.716 K(o=-0.72,f=-0.069) USER MOD Single : A 89 MET CE :methyl -175:sc=-0.00743 (180deg=-0.0362) USER MOD Single : A 90 MET CE :methyl 172:sc= -8.22! (180deg=-8.39!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 93 HIS : no HD1:sc= -4.99! C(o=-5!,f=-6.7!) USER MOD Single : A 96 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -34:sc= 0.423 USER MOD Single : A 106 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.5) USER MOD Single : A 110 TYR OH : rot -6:sc= -5.2! USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 128 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.021) USER MOD Single : A 131 ASN : amide:sc= -4.09! C(o=-4.1!,f=-12!) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 HIS : no HE2:sc= -2.78 K(o=-2.8,f=-1.5) USER MOD Single : A 146 SER OG : rot 130:sc= -2.43 USER MOD Single : A 148 ASN : amide:sc= -3.09! C(o=-3.1!,f=-11!) USER MOD Single : A 150 HIS : no HD1:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 37 6.428 -10.520 7.022 1.00 0.00 N ATOM 14 CA PHE A 37 7.522 -9.718 6.486 1.00 0.00 C ATOM 15 C PHE A 37 8.874 -10.290 6.901 1.00 0.00 C ATOM 16 O PHE A 37 9.869 -9.567 6.976 1.00 0.00 O ATOM 17 CB PHE A 37 7.400 -8.271 6.967 1.00 0.00 C ATOM 18 CG PHE A 37 6.039 -7.667 6.750 1.00 0.00 C ATOM 19 CD1 PHE A 37 5.565 -6.681 7.600 1.00 0.00 C ATOM 20 CD2 PHE A 37 5.236 -8.082 5.698 1.00 0.00 C ATOM 21 CE1 PHE A 37 4.316 -6.121 7.407 1.00 0.00 C ATOM 22 CE2 PHE A 37 3.986 -7.525 5.499 1.00 0.00 C ATOM 23 CZ PHE A 37 3.525 -6.544 6.356 1.00 0.00 C ATOM 0 HA PHE A 37 7.458 -9.742 5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.639 -8.231 8.030 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.143 -7.663 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.179 -6.346 8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.591 -8.849 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.959 -5.353 8.077 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.371 -7.856 4.675 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.548 -6.109 6.205 1.00 0.00 H new ATOM 33 N ALA A 38 8.904 -11.590 7.173 1.00 0.00 N ATOM 34 CA ALA A 38 10.134 -12.258 7.585 1.00 0.00 C ATOM 35 C ALA A 38 11.077 -12.469 6.405 1.00 0.00 C ATOM 36 O ALA A 38 12.285 -12.257 6.517 1.00 0.00 O ATOM 37 CB ALA A 38 9.812 -13.588 8.252 1.00 0.00 C ATOM 0 H ALA A 38 8.091 -12.203 7.116 1.00 0.00 H new ATOM 0 HA ALA A 38 10.641 -11.614 8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.738 -14.077 8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.190 -13.414 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.277 -14.227 7.550 1.00 0.00 H new ATOM 43 N ASP A 39 10.519 -12.896 5.280 1.00 0.00 N ATOM 44 CA ASP A 39 11.312 -13.146 4.079 1.00 0.00 C ATOM 45 C ASP A 39 11.038 -12.102 2.996 1.00 0.00 C ATOM 46 O ASP A 39 11.519 -12.229 1.869 1.00 0.00 O ATOM 47 CB ASP A 39 11.012 -14.544 3.536 1.00 0.00 C ATOM 48 CG ASP A 39 12.052 -15.563 3.961 1.00 0.00 C ATOM 49 OD1 ASP A 39 12.575 -15.442 5.088 1.00 0.00 O ATOM 50 OD2 ASP A 39 12.340 -16.482 3.166 1.00 0.00 O ATOM 0 H ASP A 39 9.521 -13.077 5.172 1.00 0.00 H new ATOM 0 HA ASP A 39 12.364 -13.077 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.030 -14.864 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.967 -14.507 2.448 1.00 0.00 H new ATOM 55 N ALA A 40 10.268 -11.075 3.336 1.00 0.00 N ATOM 56 CA ALA A 40 9.940 -10.021 2.385 1.00 0.00 C ATOM 57 C ALA A 40 11.188 -9.247 1.971 1.00 0.00 C ATOM 58 O ALA A 40 11.960 -8.797 2.819 1.00 0.00 O ATOM 59 CB ALA A 40 8.906 -9.078 2.981 1.00 0.00 C ATOM 0 H ALA A 40 9.860 -10.950 4.262 1.00 0.00 H new ATOM 0 HA ALA A 40 9.521 -10.487 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.670 -8.295 2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.001 -9.636 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.306 -8.627 3.889 1.00 0.00 H new ATOM 65 N GLN A 41 11.378 -9.089 0.665 1.00 0.00 N ATOM 66 CA GLN A 41 12.530 -8.364 0.144 1.00 0.00 C ATOM 67 C GLN A 41 12.468 -6.899 0.558 1.00 0.00 C ATOM 68 O GLN A 41 11.482 -6.456 1.150 1.00 0.00 O ATOM 69 CB GLN A 41 12.591 -8.479 -1.380 1.00 0.00 C ATOM 70 CG GLN A 41 13.969 -8.843 -1.908 1.00 0.00 C ATOM 71 CD GLN A 41 14.077 -8.691 -3.411 1.00 0.00 C ATOM 72 OE1 GLN A 41 14.193 -9.677 -4.141 1.00 0.00 O ATOM 73 NE2 GLN A 41 14.042 -7.451 -3.886 1.00 0.00 N ATOM 0 H GLN A 41 10.749 -9.453 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 41 13.433 -8.808 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.875 -9.232 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.281 -7.531 -1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.716 -8.211 -1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.199 -9.873 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.945 -6.662 -3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.112 -7.287 -4.890 1.00 0.00 H new ATOM 82 N THR A 42 13.520 -6.147 0.253 1.00 0.00 N ATOM 83 CA THR A 42 13.562 -4.734 0.611 1.00 0.00 C ATOM 84 C THR A 42 14.502 -3.949 -0.300 1.00 0.00 C ATOM 85 O THR A 42 15.414 -4.508 -0.909 1.00 0.00 O ATOM 86 CB THR A 42 13.994 -4.570 2.071 1.00 0.00 C ATOM 87 OG1 THR A 42 14.256 -5.829 2.666 1.00 0.00 O ATOM 88 CG2 THR A 42 12.960 -3.867 2.923 1.00 0.00 C ATOM 0 H THR A 42 14.347 -6.488 -0.236 1.00 0.00 H new ATOM 0 HA THR A 42 12.557 -4.332 0.483 1.00 0.00 H new ATOM 0 HB THR A 42 14.895 -3.957 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.532 -5.700 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 42 13.328 -3.783 3.946 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.774 -2.871 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.033 -4.440 2.917 1.00 0.00 H new ATOM 96 N ARG A 43 14.269 -2.643 -0.372 1.00 0.00 N ATOM 97 CA ARG A 43 15.083 -1.751 -1.189 1.00 0.00 C ATOM 98 C ARG A 43 14.712 -0.298 -0.907 1.00 0.00 C ATOM 99 O ARG A 43 13.658 -0.021 -0.335 1.00 0.00 O ATOM 100 CB ARG A 43 14.907 -2.067 -2.679 1.00 0.00 C ATOM 101 CG ARG A 43 13.574 -1.614 -3.257 1.00 0.00 C ATOM 102 CD ARG A 43 13.568 -1.702 -4.775 1.00 0.00 C ATOM 103 NE ARG A 43 12.782 -0.630 -5.382 1.00 0.00 N ATOM 104 CZ ARG A 43 12.901 -0.252 -6.653 1.00 0.00 C ATOM 105 NH1 ARG A 43 13.769 -0.856 -7.454 1.00 0.00 N ATOM 106 NH2 ARG A 43 12.147 0.733 -7.124 1.00 0.00 N ATOM 0 H ARG A 43 13.515 -2.175 0.131 1.00 0.00 H new ATOM 0 HA ARG A 43 16.131 -1.905 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 43 15.713 -1.592 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 43 15.008 -3.142 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.772 -2.231 -2.852 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.373 -0.588 -2.950 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.592 -1.655 -5.145 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.163 -2.667 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 43 12.102 -0.143 -4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.350 -1.615 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.855 -0.562 -8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.477 1.200 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.237 1.024 -8.098 1.00 0.00 H new ATOM 120 N LYS A 44 15.579 0.628 -1.299 1.00 0.00 N ATOM 121 CA LYS A 44 15.323 2.041 -1.069 1.00 0.00 C ATOM 122 C LYS A 44 14.400 2.623 -2.133 1.00 0.00 C ATOM 123 O LYS A 44 14.524 2.317 -3.319 1.00 0.00 O ATOM 124 CB LYS A 44 16.635 2.823 -1.026 1.00 0.00 C ATOM 125 CG LYS A 44 16.863 3.520 0.300 1.00 0.00 C ATOM 126 CD LYS A 44 17.997 4.529 0.216 1.00 0.00 C ATOM 127 CE LYS A 44 17.474 5.956 0.201 1.00 0.00 C ATOM 128 NZ LYS A 44 18.376 6.870 -0.553 1.00 0.00 N ATOM 0 H LYS A 44 16.459 0.426 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 44 14.823 2.132 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.464 2.143 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.637 3.564 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.948 4.026 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.091 2.779 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.668 4.395 1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.582 4.346 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.481 5.974 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.367 6.314 1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.984 7.833 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.317 6.873 -0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.458 6.543 -1.537 1.00 0.00 H new ATOM 142 N LEU A 45 13.473 3.461 -1.688 1.00 0.00 N ATOM 143 CA LEU A 45 12.512 4.099 -2.581 1.00 0.00 C ATOM 144 C LEU A 45 13.098 5.363 -3.202 1.00 0.00 C ATOM 145 O LEU A 45 13.810 6.118 -2.541 1.00 0.00 O ATOM 146 CB LEU A 45 11.235 4.441 -1.811 1.00 0.00 C ATOM 147 CG LEU A 45 10.026 4.808 -2.674 1.00 0.00 C ATOM 148 CD1 LEU A 45 9.859 3.817 -3.815 1.00 0.00 C ATOM 149 CD2 LEU A 45 8.766 4.858 -1.825 1.00 0.00 C ATOM 0 H LEU A 45 13.365 3.717 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 45 12.276 3.401 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.969 3.589 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.447 5.274 -1.140 1.00 0.00 H new ATOM 0 HG LEU A 45 10.197 5.796 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.994 4.097 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.753 3.827 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.711 2.816 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.914 5.120 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.595 3.882 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.884 5.607 -1.042 1.00 0.00 H new ATOM 161 N THR A 46 12.787 5.592 -4.475 1.00 0.00 N ATOM 162 CA THR A 46 13.279 6.769 -5.180 1.00 0.00 C ATOM 163 C THR A 46 12.483 8.008 -4.779 1.00 0.00 C ATOM 164 O THR A 46 11.324 7.907 -4.380 1.00 0.00 O ATOM 165 CB THR A 46 13.186 6.565 -6.693 1.00 0.00 C ATOM 166 OG1 THR A 46 11.840 6.657 -7.128 1.00 0.00 O ATOM 167 CG2 THR A 46 13.732 5.231 -7.154 1.00 0.00 C ATOM 0 H THR A 46 12.197 4.978 -5.037 1.00 0.00 H new ATOM 0 HA THR A 46 14.323 6.916 -4.904 1.00 0.00 H new ATOM 0 HB THR A 46 13.797 7.355 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.819 6.845 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.635 5.153 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.783 5.153 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.171 4.425 -6.680 1.00 0.00 H new ATOM 175 N PRO A 47 13.092 9.201 -4.890 1.00 0.00 N ATOM 176 CA PRO A 47 12.423 10.457 -4.544 1.00 0.00 C ATOM 177 C PRO A 47 11.184 10.689 -5.397 1.00 0.00 C ATOM 178 O PRO A 47 10.199 11.265 -4.938 1.00 0.00 O ATOM 179 CB PRO A 47 13.483 11.529 -4.822 1.00 0.00 C ATOM 180 CG PRO A 47 14.467 10.876 -5.734 1.00 0.00 C ATOM 181 CD PRO A 47 14.467 9.421 -5.367 1.00 0.00 C ATOM 0 HA PRO A 47 12.071 10.463 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 47 13.040 12.410 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 47 13.960 11.860 -3.900 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.184 11.015 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 47 15.460 11.309 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.704 8.789 -6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.203 9.200 -4.594 1.00 0.00 H new ATOM 189 N GLU A 48 11.238 10.225 -6.642 1.00 0.00 N ATOM 190 CA GLU A 48 10.115 10.371 -7.557 1.00 0.00 C ATOM 191 C GLU A 48 8.952 9.494 -7.107 1.00 0.00 C ATOM 192 O GLU A 48 7.802 9.932 -7.084 1.00 0.00 O ATOM 193 CB GLU A 48 10.535 10.000 -8.981 1.00 0.00 C ATOM 194 CG GLU A 48 10.956 11.196 -9.821 1.00 0.00 C ATOM 195 CD GLU A 48 12.380 11.079 -10.330 1.00 0.00 C ATOM 196 OE1 GLU A 48 13.231 11.889 -9.903 1.00 0.00 O ATOM 197 OE2 GLU A 48 12.643 10.180 -11.155 1.00 0.00 O ATOM 0 H GLU A 48 12.047 9.746 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 48 9.794 11.413 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.361 9.290 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.706 9.493 -9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.278 11.297 -10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.860 12.105 -9.227 1.00 0.00 H new ATOM 204 N GLU A 49 9.264 8.254 -6.743 1.00 0.00 N ATOM 205 CA GLU A 49 8.245 7.317 -6.283 1.00 0.00 C ATOM 206 C GLU A 49 7.678 7.758 -4.940 1.00 0.00 C ATOM 207 O GLU A 49 6.473 7.665 -4.700 1.00 0.00 O ATOM 208 CB GLU A 49 8.830 5.908 -6.168 1.00 0.00 C ATOM 209 CG GLU A 49 9.248 5.311 -7.502 1.00 0.00 C ATOM 210 CD GLU A 49 10.177 4.122 -7.343 1.00 0.00 C ATOM 211 OE1 GLU A 49 11.233 4.278 -6.695 1.00 0.00 O ATOM 212 OE2 GLU A 49 9.848 3.038 -7.866 1.00 0.00 O ATOM 0 H GLU A 49 10.211 7.876 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 49 7.437 7.305 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.695 5.936 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.092 5.254 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.359 5.002 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.743 6.077 -8.100 1.00 0.00 H new ATOM 219 N ARG A 50 8.554 8.245 -4.069 1.00 0.00 N ATOM 220 CA ARG A 50 8.141 8.710 -2.751 1.00 0.00 C ATOM 221 C ARG A 50 7.318 9.988 -2.866 1.00 0.00 C ATOM 222 O ARG A 50 6.450 10.259 -2.036 1.00 0.00 O ATOM 223 CB ARG A 50 9.366 8.949 -1.863 1.00 0.00 C ATOM 224 CG ARG A 50 9.035 9.044 -0.382 1.00 0.00 C ATOM 225 CD ARG A 50 9.893 8.100 0.449 1.00 0.00 C ATOM 226 NE ARG A 50 11.310 8.188 0.099 1.00 0.00 N ATOM 227 CZ ARG A 50 12.079 9.239 0.376 1.00 0.00 C ATOM 228 NH1 ARG A 50 11.578 10.287 1.018 1.00 0.00 N ATOM 229 NH2 ARG A 50 13.355 9.240 0.015 1.00 0.00 N ATOM 0 H ARG A 50 9.554 8.328 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 50 7.521 7.939 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.079 8.139 -2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.858 9.870 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.186 10.068 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.982 8.808 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.767 8.333 1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.548 7.076 0.305 1.00 0.00 H new ATOM 0 HE ARG A 50 11.734 7.397 -0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.598 10.290 1.302 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.173 11.089 1.227 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.747 8.436 -0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.944 10.045 0.227 1.00 0.00 H new ATOM 243 N SER A 51 7.597 10.770 -3.906 1.00 0.00 N ATOM 244 CA SER A 51 6.882 12.019 -4.135 1.00 0.00 C ATOM 245 C SER A 51 5.462 11.751 -4.617 1.00 0.00 C ATOM 246 O SER A 51 4.506 12.366 -4.145 1.00 0.00 O ATOM 247 CB SER A 51 7.628 12.877 -5.160 1.00 0.00 C ATOM 248 OG SER A 51 7.110 14.194 -5.197 1.00 0.00 O ATOM 0 H SER A 51 8.313 10.560 -4.602 1.00 0.00 H new ATOM 0 HA SER A 51 6.830 12.558 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.689 12.907 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.546 12.423 -6.147 1.00 0.00 H new ATOM 0 HG SER A 51 7.605 14.722 -5.858 1.00 0.00 H new ATOM 254 N ALA A 52 5.329 10.823 -5.555 1.00 0.00 N ATOM 255 CA ALA A 52 4.021 10.472 -6.092 1.00 0.00 C ATOM 256 C ALA A 52 3.150 9.860 -5.012 1.00 0.00 C ATOM 257 O ALA A 52 1.977 10.205 -4.872 1.00 0.00 O ATOM 258 CB ALA A 52 4.163 9.519 -7.264 1.00 0.00 C ATOM 0 H ALA A 52 6.107 10.301 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 52 3.540 11.383 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.175 9.269 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.751 9.993 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.665 8.609 -6.934 1.00 0.00 H new ATOM 264 N VAL A 53 3.738 8.959 -4.235 1.00 0.00 N ATOM 265 CA VAL A 53 3.023 8.312 -3.147 1.00 0.00 C ATOM 266 C VAL A 53 2.501 9.363 -2.185 1.00 0.00 C ATOM 267 O VAL A 53 1.298 9.473 -1.962 1.00 0.00 O ATOM 268 CB VAL A 53 3.932 7.324 -2.388 1.00 0.00 C ATOM 269 CG1 VAL A 53 3.216 6.749 -1.173 1.00 0.00 C ATOM 270 CG2 VAL A 53 4.394 6.212 -3.315 1.00 0.00 C ATOM 0 H VAL A 53 4.708 8.661 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 53 2.191 7.751 -3.573 1.00 0.00 H new ATOM 0 HB VAL A 53 4.808 7.868 -2.035 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.878 6.055 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.938 7.558 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.318 6.221 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.035 5.523 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.527 5.674 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.952 6.641 -4.147 1.00 0.00 H new ATOM 280 N GLU A 54 3.418 10.151 -1.640 1.00 0.00 N ATOM 281 CA GLU A 54 3.054 11.215 -0.714 1.00 0.00 C ATOM 282 C GLU A 54 1.964 12.093 -1.325 1.00 0.00 C ATOM 283 O GLU A 54 1.094 12.608 -0.622 1.00 0.00 O ATOM 284 CB GLU A 54 4.289 12.046 -0.342 1.00 0.00 C ATOM 285 CG GLU A 54 4.678 13.102 -1.368 1.00 0.00 C ATOM 286 CD GLU A 54 5.505 14.220 -0.766 1.00 0.00 C ATOM 287 OE1 GLU A 54 4.980 15.347 -0.643 1.00 0.00 O ATOM 288 OE2 GLU A 54 6.679 13.970 -0.417 1.00 0.00 O ATOM 0 H GLU A 54 4.418 10.074 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 54 2.661 10.770 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.105 12.538 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.133 11.372 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.241 12.631 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.776 13.521 -1.813 1.00 0.00 H new ATOM 295 N ASN A 55 2.015 12.238 -2.646 1.00 0.00 N ATOM 296 CA ASN A 55 1.028 13.029 -3.371 1.00 0.00 C ATOM 297 C ASN A 55 -0.302 12.286 -3.426 1.00 0.00 C ATOM 298 O ASN A 55 -1.373 12.894 -3.392 1.00 0.00 O ATOM 299 CB ASN A 55 1.520 13.317 -4.792 1.00 0.00 C ATOM 300 CG ASN A 55 2.677 14.295 -4.816 1.00 0.00 C ATOM 301 OD1 ASN A 55 2.762 15.196 -3.981 1.00 0.00 O ATOM 302 ND2 ASN A 55 3.575 14.122 -5.779 1.00 0.00 N ATOM 0 H ASN A 55 2.732 11.816 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 55 0.887 13.974 -2.847 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.827 12.383 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.697 13.717 -5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.376 14.750 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.464 13.361 -6.449 1.00 0.00 H new ATOM 309 N TYR A 56 -0.218 10.962 -3.511 1.00 0.00 N ATOM 310 CA TYR A 56 -1.400 10.113 -3.574 1.00 0.00 C ATOM 311 C TYR A 56 -2.081 10.025 -2.207 1.00 0.00 C ATOM 312 O TYR A 56 -3.304 10.130 -2.107 1.00 0.00 O ATOM 313 CB TYR A 56 -1.004 8.721 -4.088 1.00 0.00 C ATOM 314 CG TYR A 56 -1.914 7.602 -3.633 1.00 0.00 C ATOM 315 CD1 TYR A 56 -1.451 6.621 -2.768 1.00 0.00 C ATOM 316 CD2 TYR A 56 -3.232 7.534 -4.061 1.00 0.00 C ATOM 317 CE1 TYR A 56 -2.278 5.601 -2.340 1.00 0.00 C ATOM 318 CE2 TYR A 56 -4.066 6.515 -3.640 1.00 0.00 C ATOM 319 CZ TYR A 56 -3.585 5.552 -2.779 1.00 0.00 C ATOM 320 OH TYR A 56 -4.412 4.541 -2.352 1.00 0.00 O ATOM 0 H TYR A 56 0.665 10.452 -3.538 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.118 10.551 -4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.990 8.740 -5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.012 8.502 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.428 6.656 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.612 8.289 -4.733 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.903 4.846 -1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.089 6.474 -3.984 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.875 3.826 -1.951 1.00 0.00 H new ATOM 330 N LEU A 57 -1.286 9.840 -1.155 1.00 0.00 N ATOM 331 CA LEU A 57 -1.820 9.749 0.201 1.00 0.00 C ATOM 332 C LEU A 57 -2.393 11.092 0.641 1.00 0.00 C ATOM 333 O LEU A 57 -3.454 11.158 1.263 1.00 0.00 O ATOM 334 CB LEU A 57 -0.727 9.319 1.187 1.00 0.00 C ATOM 335 CG LEU A 57 0.252 8.265 0.670 1.00 0.00 C ATOM 336 CD1 LEU A 57 1.206 7.835 1.776 1.00 0.00 C ATOM 337 CD2 LEU A 57 -0.503 7.067 0.120 1.00 0.00 C ATOM 0 H LEU A 57 -0.272 9.750 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.613 9.001 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.160 10.202 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.206 8.934 2.087 1.00 0.00 H new ATOM 0 HG LEU A 57 0.839 8.703 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.896 7.084 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.770 8.699 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.637 7.413 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.208 6.325 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.113 6.628 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.146 7.387 -0.700 1.00 0.00 H new ATOM 349 N GLU A 58 -1.673 12.162 0.319 1.00 0.00 N ATOM 350 CA GLU A 58 -2.097 13.511 0.679 1.00 0.00 C ATOM 351 C GLU A 58 -3.400 13.876 -0.017 1.00 0.00 C ATOM 352 O GLU A 58 -4.347 14.342 0.616 1.00 0.00 O ATOM 353 CB GLU A 58 -1.010 14.524 0.316 1.00 0.00 C ATOM 354 CG GLU A 58 0.043 14.701 1.396 1.00 0.00 C ATOM 355 CD GLU A 58 -0.183 15.945 2.234 1.00 0.00 C ATOM 356 OE1 GLU A 58 0.486 16.967 1.972 1.00 0.00 O ATOM 357 OE2 GLU A 58 -1.030 15.898 3.151 1.00 0.00 O ATOM 0 H GLU A 58 -0.791 12.121 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.263 13.537 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.523 14.206 -0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.477 15.488 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.043 13.825 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.028 14.754 0.932 1.00 0.00 H new ATOM 364 N SER A 59 -3.444 13.648 -1.322 1.00 0.00 N ATOM 365 CA SER A 59 -4.638 13.940 -2.105 1.00 0.00 C ATOM 366 C SER A 59 -5.777 13.018 -1.690 1.00 0.00 C ATOM 367 O SER A 59 -6.951 13.375 -1.789 1.00 0.00 O ATOM 368 CB SER A 59 -4.349 13.779 -3.599 1.00 0.00 C ATOM 369 OG SER A 59 -5.551 13.694 -4.344 1.00 0.00 O ATOM 0 H SER A 59 -2.669 13.262 -1.861 1.00 0.00 H new ATOM 0 HA SER A 59 -4.933 14.972 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.758 14.624 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.752 12.882 -3.763 1.00 0.00 H new ATOM 0 HG SER A 59 -5.340 13.593 -5.296 1.00 0.00 H new ATOM 623 N SER A 78 -5.305 7.657 6.724 1.00 0.00 N ATOM 624 CA SER A 78 -4.145 8.087 5.956 1.00 0.00 C ATOM 625 C SER A 78 -2.860 7.765 6.711 1.00 0.00 C ATOM 626 O SER A 78 -2.785 7.931 7.929 1.00 0.00 O ATOM 627 CB SER A 78 -4.222 9.586 5.661 1.00 0.00 C ATOM 628 OG SER A 78 -4.943 10.270 6.672 1.00 0.00 O ATOM 0 HA SER A 78 -4.140 7.547 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.215 9.997 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.703 9.745 4.696 1.00 0.00 H new ATOM 0 HG SER A 78 -5.411 9.620 7.236 1.00 0.00 H new ATOM 634 N LEU A 79 -1.855 7.291 5.985 1.00 0.00 N ATOM 635 CA LEU A 79 -0.576 6.931 6.596 1.00 0.00 C ATOM 636 C LEU A 79 0.394 8.112 6.582 1.00 0.00 C ATOM 637 O LEU A 79 0.546 8.792 5.567 1.00 0.00 O ATOM 638 CB LEU A 79 0.070 5.715 5.897 1.00 0.00 C ATOM 639 CG LEU A 79 -0.698 5.107 4.719 1.00 0.00 C ATOM 640 CD1 LEU A 79 -2.114 4.733 5.135 1.00 0.00 C ATOM 641 CD2 LEU A 79 -0.703 6.059 3.530 1.00 0.00 C ATOM 0 H LEU A 79 -1.898 7.146 4.976 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.786 6.659 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.057 6.012 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.221 4.935 6.643 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.189 4.193 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.642 4.303 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.075 4.003 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.641 5.624 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.254 5.607 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.181 6.996 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.322 6.256 3.217 1.00 0.00 H new ATOM 653 N ALA A 80 1.055 8.340 7.715 1.00 0.00 N ATOM 654 CA ALA A 80 2.019 9.428 7.839 1.00 0.00 C ATOM 655 C ALA A 80 3.411 8.952 7.440 1.00 0.00 C ATOM 656 O ALA A 80 3.828 7.859 7.809 1.00 0.00 O ATOM 657 CB ALA A 80 2.029 9.969 9.262 1.00 0.00 C ATOM 0 H ALA A 80 0.939 7.783 8.562 1.00 0.00 H new ATOM 0 HA ALA A 80 1.722 10.232 7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.753 10.780 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.037 10.343 9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.304 9.172 9.953 1.00 0.00 H new ATOM 663 N LEU A 81 4.123 9.768 6.675 1.00 0.00 N ATOM 664 CA LEU A 81 5.459 9.406 6.218 1.00 0.00 C ATOM 665 C LEU A 81 6.447 9.300 7.376 1.00 0.00 C ATOM 666 O LEU A 81 6.445 10.122 8.292 1.00 0.00 O ATOM 667 CB LEU A 81 5.963 10.424 5.194 1.00 0.00 C ATOM 668 CG LEU A 81 5.267 10.370 3.831 1.00 0.00 C ATOM 669 CD1 LEU A 81 4.783 11.752 3.419 1.00 0.00 C ATOM 670 CD2 LEU A 81 6.202 9.795 2.777 1.00 0.00 C ATOM 0 H LEU A 81 3.800 10.682 6.358 1.00 0.00 H new ATOM 0 HA LEU A 81 5.389 8.424 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.840 11.425 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.032 10.269 5.046 1.00 0.00 H new ATOM 0 HG LEU A 81 4.399 9.716 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.292 11.691 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.077 12.126 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.633 12.431 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.691 9.764 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.089 10.423 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.497 8.786 3.064 1.00 0.00 H new ATOM 682 N ASN A 82 7.294 8.275 7.313 1.00 0.00 N ATOM 683 CA ASN A 82 8.306 8.034 8.337 1.00 0.00 C ATOM 684 C ASN A 82 9.615 7.585 7.694 1.00 0.00 C ATOM 685 O ASN A 82 9.718 7.503 6.471 1.00 0.00 O ATOM 686 CB ASN A 82 7.827 6.978 9.332 1.00 0.00 C ATOM 687 CG ASN A 82 7.044 7.577 10.482 1.00 0.00 C ATOM 688 OD1 ASN A 82 6.585 8.717 10.410 1.00 0.00 O ATOM 689 ND2 ASN A 82 6.889 6.809 11.554 1.00 0.00 N ATOM 0 H ASN A 82 7.298 7.592 6.555 1.00 0.00 H new ATOM 0 HA ASN A 82 8.475 8.967 8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.204 6.250 8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.688 6.437 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 82 6.372 7.158 12.361 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.287 5.870 11.570 1.00 0.00 H new ATOM 696 N ALA A 83 10.613 7.298 8.522 1.00 0.00 N ATOM 697 CA ALA A 83 11.912 6.862 8.022 1.00 0.00 C ATOM 698 C ALA A 83 11.808 5.531 7.282 1.00 0.00 C ATOM 699 O ALA A 83 12.596 5.257 6.377 1.00 0.00 O ATOM 700 CB ALA A 83 12.916 6.758 9.158 1.00 0.00 C ATOM 0 H ALA A 83 10.549 7.359 9.538 1.00 0.00 H new ATOM 0 HA ALA A 83 12.261 7.613 7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.878 6.431 8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.030 7.732 9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.561 6.036 9.893 1.00 0.00 H new ATOM 706 N GLU A 84 10.830 4.710 7.658 1.00 0.00 N ATOM 707 CA GLU A 84 10.632 3.425 7.011 1.00 0.00 C ATOM 708 C GLU A 84 9.900 3.611 5.686 1.00 0.00 C ATOM 709 O GLU A 84 9.962 2.754 4.808 1.00 0.00 O ATOM 710 CB GLU A 84 9.853 2.481 7.928 1.00 0.00 C ATOM 711 CG GLU A 84 10.478 1.100 8.052 1.00 0.00 C ATOM 712 CD GLU A 84 10.112 0.188 6.897 1.00 0.00 C ATOM 713 OE1 GLU A 84 9.406 0.650 5.975 1.00 0.00 O ATOM 714 OE2 GLU A 84 10.531 -0.989 6.914 1.00 0.00 O ATOM 0 H GLU A 84 10.167 4.915 8.405 1.00 0.00 H new ATOM 0 HA GLU A 84 11.606 2.980 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.781 2.928 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.836 2.378 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.562 1.199 8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.156 0.642 8.987 1.00 0.00 H new ATOM 721 N SER A 85 9.221 4.751 5.550 1.00 0.00 N ATOM 722 CA SER A 85 8.487 5.077 4.332 1.00 0.00 C ATOM 723 C SER A 85 9.416 5.100 3.121 1.00 0.00 C ATOM 724 O SER A 85 8.959 5.074 1.981 1.00 0.00 O ATOM 725 CB SER A 85 7.783 6.427 4.474 1.00 0.00 C ATOM 726 OG SER A 85 6.873 6.415 5.561 1.00 0.00 O ATOM 0 H SER A 85 9.166 5.466 6.275 1.00 0.00 H new ATOM 0 HA SER A 85 7.737 4.301 4.177 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.523 7.213 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.251 6.662 3.552 1.00 0.00 H new ATOM 0 HG SER A 85 5.955 6.392 5.219 1.00 0.00 H new ATOM 732 N ASN A 86 10.722 5.157 3.372 1.00 0.00 N ATOM 733 CA ASN A 86 11.702 5.181 2.296 1.00 0.00 C ATOM 734 C ASN A 86 12.093 3.761 1.902 1.00 0.00 C ATOM 735 O ASN A 86 12.310 3.467 0.727 1.00 0.00 O ATOM 736 CB ASN A 86 12.944 5.959 2.726 1.00 0.00 C ATOM 737 CG ASN A 86 12.602 7.282 3.381 1.00 0.00 C ATOM 738 OD1 ASN A 86 11.743 7.351 4.260 1.00 0.00 O ATOM 739 ND2 ASN A 86 13.277 8.339 2.953 1.00 0.00 N ATOM 0 H ASN A 86 11.122 5.187 4.310 1.00 0.00 H new ATOM 0 HA ASN A 86 11.254 5.676 1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.526 5.353 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.575 6.140 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.093 9.258 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.980 8.233 2.222 1.00 0.00 H new ATOM 746 N ASN A 87 12.184 2.884 2.897 1.00 0.00 N ATOM 747 CA ASN A 87 12.551 1.491 2.664 1.00 0.00 C ATOM 748 C ASN A 87 11.342 0.675 2.219 1.00 0.00 C ATOM 749 O ASN A 87 10.460 0.370 3.021 1.00 0.00 O ATOM 750 CB ASN A 87 13.142 0.880 3.936 1.00 0.00 C ATOM 751 CG ASN A 87 14.058 1.837 4.675 1.00 0.00 C ATOM 752 OD1 ASN A 87 15.024 2.352 4.113 1.00 0.00 O ATOM 753 ND2 ASN A 87 13.756 2.077 5.946 1.00 0.00 N ATOM 0 H ASN A 87 12.008 3.114 3.875 1.00 0.00 H new ATOM 0 HA ASN A 87 13.298 1.468 1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.332 0.575 4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.698 -0.021 3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.335 2.711 6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.945 1.628 6.371 1.00 0.00 H new ATOM 760 N VAL A 88 11.310 0.324 0.936 1.00 0.00 N ATOM 761 CA VAL A 88 10.206 -0.455 0.384 1.00 0.00 C ATOM 762 C VAL A 88 10.376 -1.943 0.671 1.00 0.00 C ATOM 763 O VAL A 88 11.473 -2.488 0.562 1.00 0.00 O ATOM 764 CB VAL A 88 10.086 -0.253 -1.139 1.00 0.00 C ATOM 765 CG1 VAL A 88 8.824 -0.917 -1.669 1.00 0.00 C ATOM 766 CG2 VAL A 88 10.105 1.229 -1.486 1.00 0.00 C ATOM 0 H VAL A 88 12.035 0.566 0.260 1.00 0.00 H new ATOM 0 HA VAL A 88 9.298 -0.097 0.869 1.00 0.00 H new ATOM 0 HB VAL A 88 10.944 -0.725 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.757 -0.763 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.858 -1.985 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.951 -0.478 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.019 1.351 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.268 1.728 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.041 1.671 -1.144 1.00 0.00 H new ATOM 776 N MET A 89 9.272 -2.585 1.038 1.00 0.00 N ATOM 777 CA MET A 89 9.267 -4.011 1.345 1.00 0.00 C ATOM 778 C MET A 89 8.487 -4.784 0.289 1.00 0.00 C ATOM 779 O MET A 89 7.343 -4.451 -0.018 1.00 0.00 O ATOM 780 CB MET A 89 8.660 -4.253 2.732 1.00 0.00 C ATOM 781 CG MET A 89 9.693 -4.595 3.792 1.00 0.00 C ATOM 782 SD MET A 89 9.302 -6.109 4.687 1.00 0.00 S ATOM 783 CE MET A 89 10.366 -5.942 6.119 1.00 0.00 C ATOM 0 H MET A 89 8.361 -2.135 1.131 1.00 0.00 H new ATOM 0 HA MET A 89 10.297 -4.367 1.344 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.114 -3.362 3.042 1.00 0.00 H new ATOM 0 HB3 MET A 89 7.935 -5.064 2.667 1.00 0.00 H new ATOM 0 HG2 MET A 89 10.670 -4.700 3.320 1.00 0.00 H new ATOM 0 HG3 MET A 89 9.768 -3.769 4.500 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.304 -6.845 6.726 1.00 0.00 H new ATOM 0 HE2 MET A 89 11.395 -5.794 5.792 1.00 0.00 H new ATOM 0 HE3 MET A 89 10.047 -5.084 6.711 1.00 0.00 H new ATOM 793 N MET A 90 9.116 -5.813 -0.269 1.00 0.00 N ATOM 794 CA MET A 90 8.481 -6.629 -1.299 1.00 0.00 C ATOM 795 C MET A 90 8.117 -8.008 -0.758 1.00 0.00 C ATOM 796 O MET A 90 8.954 -8.694 -0.171 1.00 0.00 O ATOM 797 CB MET A 90 9.413 -6.774 -2.504 1.00 0.00 C ATOM 798 CG MET A 90 9.581 -5.489 -3.300 1.00 0.00 C ATOM 799 SD MET A 90 11.263 -4.841 -3.233 1.00 0.00 S ATOM 800 CE MET A 90 11.134 -3.718 -1.844 1.00 0.00 C ATOM 0 H MET A 90 10.064 -6.102 -0.026 1.00 0.00 H new ATOM 0 HA MET A 90 7.564 -6.128 -1.610 1.00 0.00 H new ATOM 0 HB2 MET A 90 10.391 -7.108 -2.158 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.025 -7.551 -3.162 1.00 0.00 H new ATOM 0 HG2 MET A 90 9.308 -5.672 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.891 -4.737 -2.917 1.00 0.00 H new ATOM 0 HE1 MET A 90 12.125 -3.345 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.489 -2.881 -2.112 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.709 -4.244 -0.989 1.00 0.00 H new ATOM 810 N LEU A 91 6.863 -8.407 -0.954 1.00 0.00 N ATOM 811 CA LEU A 91 6.400 -9.707 -0.475 1.00 0.00 C ATOM 812 C LEU A 91 5.202 -10.210 -1.264 1.00 0.00 C ATOM 813 O LEU A 91 4.344 -9.432 -1.677 1.00 0.00 O ATOM 814 CB LEU A 91 5.994 -9.619 0.998 1.00 0.00 C ATOM 815 CG LEU A 91 4.892 -8.598 1.294 1.00 0.00 C ATOM 816 CD1 LEU A 91 3.776 -9.236 2.106 1.00 0.00 C ATOM 817 CD2 LEU A 91 5.459 -7.388 2.020 1.00 0.00 C ATOM 0 H LEU A 91 6.154 -7.855 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 91 7.230 -10.402 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.659 -10.602 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.874 -9.367 1.590 1.00 0.00 H new ATOM 0 HG LEU A 91 4.476 -8.261 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.002 -8.495 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.347 -10.066 1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.178 -9.605 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.659 -6.676 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.906 -7.705 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.219 -6.914 1.399 1.00 0.00 H new ATOM 829 N THR A 92 5.118 -11.525 -1.411 1.00 0.00 N ATOM 830 CA THR A 92 3.984 -12.137 -2.079 1.00 0.00 C ATOM 831 C THR A 92 2.964 -12.468 -1.004 1.00 0.00 C ATOM 832 O THR A 92 3.227 -13.291 -0.127 1.00 0.00 O ATOM 833 CB THR A 92 4.406 -13.403 -2.828 1.00 0.00 C ATOM 834 OG1 THR A 92 3.290 -14.009 -3.455 1.00 0.00 O ATOM 835 CG2 THR A 92 5.051 -14.439 -1.935 1.00 0.00 C ATOM 0 H THR A 92 5.821 -12.185 -1.077 1.00 0.00 H new ATOM 0 HA THR A 92 3.564 -11.457 -2.820 1.00 0.00 H new ATOM 0 HB THR A 92 5.141 -13.074 -3.563 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.580 -14.816 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.326 -15.311 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.944 -14.017 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.348 -14.737 -1.157 1.00 0.00 H new ATOM 843 N HIS A 93 1.826 -11.789 -1.026 1.00 0.00 N ATOM 844 CA HIS A 93 0.825 -11.997 0.007 1.00 0.00 C ATOM 845 C HIS A 93 -0.569 -11.582 -0.451 1.00 0.00 C ATOM 846 O HIS A 93 -0.723 -10.718 -1.314 1.00 0.00 O ATOM 847 CB HIS A 93 1.232 -11.184 1.240 1.00 0.00 C ATOM 848 CG HIS A 93 1.073 -11.908 2.538 1.00 0.00 C ATOM 849 ND1 HIS A 93 -0.151 -12.279 3.051 1.00 0.00 N ATOM 850 CD2 HIS A 93 1.997 -12.307 3.442 1.00 0.00 C ATOM 851 CE1 HIS A 93 0.024 -12.875 4.216 1.00 0.00 C ATOM 852 NE2 HIS A 93 1.320 -12.906 4.477 1.00 0.00 N ATOM 0 H HIS A 93 1.576 -11.100 -1.736 1.00 0.00 H new ATOM 0 HA HIS A 93 0.780 -13.061 0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.273 -10.881 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.636 -10.272 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.067 -12.179 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.758 -13.270 4.848 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.748 -13.309 5.311 1.00 0.00 H new ATOM 861 N ALA A 94 -1.581 -12.197 0.154 1.00 0.00 N ATOM 862 CA ALA A 94 -2.968 -11.887 -0.166 1.00 0.00 C ATOM 863 C ALA A 94 -3.434 -10.680 0.638 1.00 0.00 C ATOM 864 O ALA A 94 -3.351 -10.672 1.866 1.00 0.00 O ATOM 865 CB ALA A 94 -3.858 -13.088 0.115 1.00 0.00 C ATOM 0 H ALA A 94 -1.465 -12.914 0.870 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.037 -11.648 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.891 -12.840 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.533 -13.932 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.788 -13.354 1.170 1.00 0.00 H new ATOM 871 N ILE A 95 -3.909 -9.656 -0.059 1.00 0.00 N ATOM 872 CA ILE A 95 -4.369 -8.440 0.601 1.00 0.00 C ATOM 873 C ILE A 95 -5.840 -8.531 0.980 1.00 0.00 C ATOM 874 O ILE A 95 -6.691 -8.853 0.150 1.00 0.00 O ATOM 875 CB ILE A 95 -4.160 -7.197 -0.286 1.00 0.00 C ATOM 876 CG1 ILE A 95 -2.916 -7.360 -1.162 1.00 0.00 C ATOM 877 CG2 ILE A 95 -4.045 -5.947 0.574 1.00 0.00 C ATOM 878 CD1 ILE A 95 -1.670 -7.736 -0.390 1.00 0.00 C ATOM 0 H ILE A 95 -3.986 -9.642 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.770 -8.339 1.506 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.026 -7.092 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.110 -8.124 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.734 -6.427 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.898 -5.077 -0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.959 -5.820 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.196 -6.048 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.831 -7.833 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.449 -6.961 0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.831 -8.685 0.122 1.00 0.00 H new ATOM 890 N THR A 96 -6.134 -8.229 2.239 1.00 0.00 N ATOM 891 CA THR A 96 -7.503 -8.257 2.733 1.00 0.00 C ATOM 892 C THR A 96 -8.153 -6.895 2.536 1.00 0.00 C ATOM 893 O THR A 96 -7.467 -5.876 2.502 1.00 0.00 O ATOM 894 CB THR A 96 -7.533 -8.648 4.212 1.00 0.00 C ATOM 895 OG1 THR A 96 -6.304 -9.232 4.604 1.00 0.00 O ATOM 896 CG2 THR A 96 -8.635 -9.629 4.549 1.00 0.00 C ATOM 0 H THR A 96 -5.440 -7.961 2.937 1.00 0.00 H new ATOM 0 HA THR A 96 -8.062 -9.003 2.169 1.00 0.00 H new ATOM 0 HB THR A 96 -7.717 -7.719 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.646 -8.526 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.600 -9.864 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.602 -9.188 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.498 -10.543 3.971 1.00 0.00 H new ATOM 904 N ARG A 97 -9.471 -6.878 2.395 1.00 0.00 N ATOM 905 CA ARG A 97 -10.194 -5.630 2.192 1.00 0.00 C ATOM 906 C ARG A 97 -11.187 -5.378 3.318 1.00 0.00 C ATOM 907 O ARG A 97 -12.211 -6.053 3.421 1.00 0.00 O ATOM 908 CB ARG A 97 -10.923 -5.651 0.848 1.00 0.00 C ATOM 909 CG ARG A 97 -11.123 -4.272 0.241 1.00 0.00 C ATOM 910 CD ARG A 97 -11.489 -4.358 -1.231 1.00 0.00 C ATOM 911 NE ARG A 97 -11.797 -3.048 -1.798 1.00 0.00 N ATOM 912 CZ ARG A 97 -12.477 -2.870 -2.929 1.00 0.00 C ATOM 913 NH1 ARG A 97 -12.923 -3.915 -3.615 1.00 0.00 N ATOM 914 NH2 ARG A 97 -12.710 -1.643 -3.374 1.00 0.00 N ATOM 0 H ARG A 97 -10.060 -7.711 2.417 1.00 0.00 H new ATOM 0 HA ARG A 97 -9.466 -4.819 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -10.359 -6.268 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.896 -6.125 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.909 -3.746 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.211 -3.687 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.664 -4.807 -1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.349 -5.016 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.472 -2.220 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.745 -4.861 -3.277 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.443 -3.772 -4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.369 -0.837 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -13.231 -1.505 -4.240 1.00 0.00 H new ATOM 928 N TYR A 98 -10.877 -4.396 4.156 1.00 0.00 N ATOM 929 CA TYR A 98 -11.742 -4.045 5.272 1.00 0.00 C ATOM 930 C TYR A 98 -12.415 -2.699 5.027 1.00 0.00 C ATOM 931 O TYR A 98 -11.824 -1.644 5.261 1.00 0.00 O ATOM 932 CB TYR A 98 -10.932 -3.996 6.570 1.00 0.00 C ATOM 933 CG TYR A 98 -10.617 -5.361 7.141 1.00 0.00 C ATOM 934 CD1 TYR A 98 -9.592 -6.136 6.612 1.00 0.00 C ATOM 935 CD2 TYR A 98 -11.343 -5.873 8.209 1.00 0.00 C ATOM 936 CE1 TYR A 98 -9.300 -7.383 7.131 1.00 0.00 C ATOM 937 CE2 TYR A 98 -11.057 -7.119 8.733 1.00 0.00 C ATOM 938 CZ TYR A 98 -10.036 -7.870 8.191 1.00 0.00 C ATOM 939 OH TYR A 98 -9.748 -9.111 8.711 1.00 0.00 O ATOM 0 H TYR A 98 -10.032 -3.829 4.082 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.515 -4.808 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.998 -3.465 6.386 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.485 -3.420 7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.014 -5.758 5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.144 -5.288 8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.500 -7.973 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.631 -7.503 9.564 1.00 0.00 H new ATOM 0 HH TYR A 98 -10.358 -9.304 9.454 1.00 0.00 H new ATOM 949 N GLY A 99 -13.657 -2.744 4.553 1.00 0.00 N ATOM 950 CA GLY A 99 -14.390 -1.524 4.286 1.00 0.00 C ATOM 951 C GLY A 99 -14.900 -0.865 5.551 1.00 0.00 C ATOM 952 O GLY A 99 -15.578 -1.498 6.360 1.00 0.00 O ATOM 0 H GLY A 99 -14.166 -3.604 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.745 -0.826 3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.232 -1.746 3.631 1.00 0.00 H new ATOM 956 N ILE A 100 -14.570 0.410 5.720 1.00 0.00 N ATOM 957 CA ILE A 100 -14.997 1.159 6.897 1.00 0.00 C ATOM 958 C ILE A 100 -15.404 2.584 6.530 1.00 0.00 C ATOM 959 O ILE A 100 -15.392 3.478 7.375 1.00 0.00 O ATOM 960 CB ILE A 100 -13.885 1.214 7.961 1.00 0.00 C ATOM 961 CG1 ILE A 100 -12.583 1.732 7.346 1.00 0.00 C ATOM 962 CG2 ILE A 100 -13.674 -0.160 8.580 1.00 0.00 C ATOM 963 CD1 ILE A 100 -12.381 3.221 7.525 1.00 0.00 C ATOM 0 H ILE A 100 -14.009 0.947 5.058 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.859 0.634 7.308 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.192 1.903 8.748 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.743 1.203 7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.575 1.498 6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.885 -0.104 9.330 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.599 -0.493 9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.387 -0.869 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.439 3.518 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.202 3.759 7.051 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.357 3.460 8.588 1.00 0.00 H new ATOM 975 N SER A 101 -15.762 2.786 5.266 1.00 0.00 N ATOM 976 CA SER A 101 -16.170 4.104 4.789 1.00 0.00 C ATOM 977 C SER A 101 -17.491 4.032 4.028 1.00 0.00 C ATOM 978 O SER A 101 -18.260 4.994 4.011 1.00 0.00 O ATOM 979 CB SER A 101 -15.087 4.695 3.886 1.00 0.00 C ATOM 980 OG SER A 101 -13.804 4.566 4.475 1.00 0.00 O ATOM 0 H SER A 101 -15.778 2.056 4.554 1.00 0.00 H new ATOM 0 HA SER A 101 -16.309 4.746 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.099 4.190 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.300 5.747 3.698 1.00 0.00 H new ATOM 0 HG SER A 101 -13.339 3.799 4.081 1.00 0.00 H new ATOM 986 N THR A 102 -17.746 2.892 3.395 1.00 0.00 N ATOM 987 CA THR A 102 -18.969 2.699 2.625 1.00 0.00 C ATOM 988 C THR A 102 -19.193 1.219 2.327 1.00 0.00 C ATOM 989 O THR A 102 -18.283 0.403 2.470 1.00 0.00 O ATOM 990 CB THR A 102 -18.893 3.487 1.316 1.00 0.00 C ATOM 991 OG1 THR A 102 -18.531 4.834 1.562 1.00 0.00 O ATOM 992 CG2 THR A 102 -20.193 3.496 0.542 1.00 0.00 C ATOM 0 H THR A 102 -17.121 2.086 3.400 1.00 0.00 H new ATOM 0 HA THR A 102 -19.809 3.064 3.217 1.00 0.00 H new ATOM 0 HB THR A 102 -18.138 2.976 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.913 5.125 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 102 -20.067 4.072 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 102 -20.474 2.473 0.291 1.00 0.00 H new ATOM 0 HG23 THR A 102 -20.976 3.949 1.151 1.00 0.00 H new ATOM 1000 N ASP A 103 -20.409 0.880 1.910 1.00 0.00 N ATOM 1001 CA ASP A 103 -20.748 -0.503 1.590 1.00 0.00 C ATOM 1002 C ASP A 103 -20.681 -0.754 0.086 1.00 0.00 C ATOM 1003 O ASP A 103 -21.295 -1.691 -0.424 1.00 0.00 O ATOM 1004 CB ASP A 103 -22.145 -0.838 2.108 1.00 0.00 C ATOM 1005 CG ASP A 103 -22.125 -1.376 3.525 1.00 0.00 C ATOM 1006 OD1 ASP A 103 -21.729 -0.625 4.440 1.00 0.00 O ATOM 1007 OD2 ASP A 103 -22.506 -2.550 3.721 1.00 0.00 O ATOM 0 H ASP A 103 -21.175 1.542 1.786 1.00 0.00 H new ATOM 0 HA ASP A 103 -20.017 -1.148 2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -22.767 0.056 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -22.606 -1.574 1.450 1.00 0.00 H new ATOM 1012 N ASP A 104 -19.928 0.084 -0.619 1.00 0.00 N ATOM 1013 CA ASP A 104 -19.777 -0.054 -2.063 1.00 0.00 C ATOM 1014 C ASP A 104 -18.305 0.041 -2.452 1.00 0.00 C ATOM 1015 O ASP A 104 -17.594 0.921 -1.970 1.00 0.00 O ATOM 1016 CB ASP A 104 -20.581 1.029 -2.788 1.00 0.00 C ATOM 1017 CG ASP A 104 -21.812 0.471 -3.475 1.00 0.00 C ATOM 1018 OD1 ASP A 104 -22.865 0.363 -2.813 1.00 0.00 O ATOM 1019 OD2 ASP A 104 -21.722 0.140 -4.676 1.00 0.00 O ATOM 0 H ASP A 104 -19.413 0.866 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.158 -1.032 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -20.883 1.794 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -19.945 1.517 -3.527 1.00 0.00 H new ATOM 1024 N PRO A 105 -17.828 -0.863 -3.336 1.00 0.00 N ATOM 1025 CA PRO A 105 -16.436 -0.885 -3.791 1.00 0.00 C ATOM 1026 C PRO A 105 -15.817 0.504 -3.895 1.00 0.00 C ATOM 1027 O PRO A 105 -15.857 1.139 -4.948 1.00 0.00 O ATOM 1028 CB PRO A 105 -16.562 -1.529 -5.163 1.00 0.00 C ATOM 1029 CG PRO A 105 -17.662 -2.521 -4.994 1.00 0.00 C ATOM 1030 CD PRO A 105 -18.612 -1.942 -3.970 1.00 0.00 C ATOM 0 HA PRO A 105 -15.779 -1.412 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -16.803 -0.792 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -15.632 -2.011 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -18.173 -2.698 -5.940 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.270 -3.481 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -19.518 -1.557 -4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -18.922 -2.692 -3.243 1.00 0.00 H new ATOM 1038 N ASN A 106 -15.250 0.968 -2.786 1.00 0.00 N ATOM 1039 CA ASN A 106 -14.628 2.283 -2.742 1.00 0.00 C ATOM 1040 C ASN A 106 -13.511 2.342 -1.702 1.00 0.00 C ATOM 1041 O ASN A 106 -13.129 1.325 -1.123 1.00 0.00 O ATOM 1042 CB ASN A 106 -15.682 3.353 -2.445 1.00 0.00 C ATOM 1043 CG ASN A 106 -16.646 3.546 -3.598 1.00 0.00 C ATOM 1044 OD1 ASN A 106 -16.314 4.176 -4.602 1.00 0.00 O ATOM 1045 ND2 ASN A 106 -17.850 3.004 -3.459 1.00 0.00 N ATOM 0 H ASN A 106 -15.209 0.452 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 106 -14.183 2.475 -3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.239 3.073 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -15.185 4.299 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.542 3.102 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.083 2.490 -2.609 1.00 0.00 H new ATOM 1052 N LYS A 107 -12.988 3.547 -1.481 1.00 0.00 N ATOM 1053 CA LYS A 107 -11.905 3.772 -0.524 1.00 0.00 C ATOM 1054 C LYS A 107 -12.126 3.005 0.778 1.00 0.00 C ATOM 1055 O LYS A 107 -13.032 3.313 1.549 1.00 0.00 O ATOM 1056 CB LYS A 107 -11.768 5.277 -0.249 1.00 0.00 C ATOM 1057 CG LYS A 107 -11.037 5.629 1.043 1.00 0.00 C ATOM 1058 CD LYS A 107 -11.768 6.718 1.813 1.00 0.00 C ATOM 1059 CE LYS A 107 -11.623 6.534 3.315 1.00 0.00 C ATOM 1060 NZ LYS A 107 -12.479 7.486 4.075 1.00 0.00 N ATOM 0 H LYS A 107 -13.301 4.392 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.981 3.396 -0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -11.241 5.738 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.764 5.718 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -10.946 4.739 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.025 5.961 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.376 7.694 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.824 6.708 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.890 5.512 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.580 6.676 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.352 7.329 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.208 8.462 3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.476 7.333 3.823 1.00 0.00 H new ATOM 1074 N TRP A 108 -11.275 2.010 1.005 1.00 0.00 N ATOM 1075 CA TRP A 108 -11.341 1.179 2.201 1.00 0.00 C ATOM 1076 C TRP A 108 -9.939 0.832 2.690 1.00 0.00 C ATOM 1077 O TRP A 108 -8.945 1.204 2.067 1.00 0.00 O ATOM 1078 CB TRP A 108 -12.123 -0.097 1.921 1.00 0.00 C ATOM 1079 CG TRP A 108 -13.568 0.142 1.623 1.00 0.00 C ATOM 1080 CD1 TRP A 108 -14.373 1.114 2.143 1.00 0.00 C ATOM 1081 CD2 TRP A 108 -14.381 -0.618 0.736 1.00 0.00 C ATOM 1082 NE1 TRP A 108 -15.638 1.004 1.620 1.00 0.00 N ATOM 1083 CE2 TRP A 108 -15.669 -0.058 0.758 1.00 0.00 C ATOM 1084 CE3 TRP A 108 -14.135 -1.719 -0.073 1.00 0.00 C ATOM 1085 CZ2 TRP A 108 -16.713 -0.570 -0.005 1.00 0.00 C ATOM 1086 CZ3 TRP A 108 -15.169 -2.229 -0.835 1.00 0.00 C ATOM 1087 CH2 TRP A 108 -16.446 -1.654 -0.795 1.00 0.00 C ATOM 0 H TRP A 108 -10.521 1.757 0.366 1.00 0.00 H new ATOM 0 HA TRP A 108 -11.855 1.743 2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.667 -0.615 1.077 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -12.043 -0.759 2.783 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -14.061 1.859 2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -16.426 1.614 1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -13.154 -2.169 -0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -17.698 -0.128 0.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -14.990 -3.083 -1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -17.235 -2.075 -1.400 1.00 0.00 H new ATOM 1098 N ARG A 109 -9.864 0.120 3.809 1.00 0.00 N ATOM 1099 CA ARG A 109 -8.579 -0.272 4.379 1.00 0.00 C ATOM 1100 C ARG A 109 -8.238 -1.701 3.986 1.00 0.00 C ATOM 1101 O ARG A 109 -9.121 -2.551 3.891 1.00 0.00 O ATOM 1102 CB ARG A 109 -8.628 -0.169 5.905 1.00 0.00 C ATOM 1103 CG ARG A 109 -8.031 1.112 6.452 1.00 0.00 C ATOM 1104 CD ARG A 109 -8.627 2.332 5.771 1.00 0.00 C ATOM 1105 NE ARG A 109 -7.830 2.759 4.624 1.00 0.00 N ATOM 1106 CZ ARG A 109 -8.230 3.673 3.742 1.00 0.00 C ATOM 1107 NH1 ARG A 109 -9.414 4.258 3.873 1.00 0.00 N ATOM 1108 NH2 ARG A 109 -7.444 4.003 2.726 1.00 0.00 N ATOM 0 H ARG A 109 -10.676 -0.197 4.339 1.00 0.00 H new ATOM 0 HA ARG A 109 -7.813 0.400 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -9.665 -0.244 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -8.097 -1.018 6.334 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.208 1.169 7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.951 1.103 6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.642 2.106 5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.698 3.150 6.488 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.913 2.332 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.023 4.008 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -9.715 4.957 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -6.533 3.557 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -7.751 4.703 2.051 1.00 0.00 H new ATOM 1122 N TYR A 110 -6.954 -1.969 3.765 1.00 0.00 N ATOM 1123 CA TYR A 110 -6.527 -3.305 3.395 1.00 0.00 C ATOM 1124 C TYR A 110 -5.653 -3.889 4.488 1.00 0.00 C ATOM 1125 O TYR A 110 -5.197 -3.165 5.371 1.00 0.00 O ATOM 1126 CB TYR A 110 -5.791 -3.285 2.059 1.00 0.00 C ATOM 1127 CG TYR A 110 -6.725 -3.244 0.872 1.00 0.00 C ATOM 1128 CD1 TYR A 110 -7.345 -2.058 0.492 1.00 0.00 C ATOM 1129 CD2 TYR A 110 -6.988 -4.389 0.129 1.00 0.00 C ATOM 1130 CE1 TYR A 110 -8.199 -2.016 -0.593 1.00 0.00 C ATOM 1131 CE2 TYR A 110 -7.840 -4.353 -0.957 1.00 0.00 C ATOM 1132 CZ TYR A 110 -8.442 -3.165 -1.313 1.00 0.00 C ATOM 1133 OH TYR A 110 -9.293 -3.127 -2.392 1.00 0.00 O ATOM 0 H TYR A 110 -6.202 -1.284 3.836 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.407 -3.937 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -5.132 -2.417 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -5.158 -4.169 1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.156 -1.156 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -6.519 -5.321 0.406 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.673 -1.088 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -8.034 -5.251 -1.525 1.00 0.00 H new ATOM 0 HH TYR A 110 -9.709 -2.242 -2.449 1.00 0.00 H new ATOM 1143 N TYR A 111 -5.447 -5.197 4.456 1.00 0.00 N ATOM 1144 CA TYR A 111 -4.650 -5.845 5.485 1.00 0.00 C ATOM 1145 C TYR A 111 -3.736 -6.921 4.920 1.00 0.00 C ATOM 1146 O TYR A 111 -4.187 -7.863 4.269 1.00 0.00 O ATOM 1147 CB TYR A 111 -5.571 -6.447 6.543 1.00 0.00 C ATOM 1148 CG TYR A 111 -6.071 -5.428 7.541 1.00 0.00 C ATOM 1149 CD1 TYR A 111 -6.946 -4.416 7.154 1.00 0.00 C ATOM 1150 CD2 TYR A 111 -5.656 -5.469 8.865 1.00 0.00 C ATOM 1151 CE1 TYR A 111 -7.394 -3.472 8.060 1.00 0.00 C ATOM 1152 CE2 TYR A 111 -6.103 -4.532 9.779 1.00 0.00 C ATOM 1153 CZ TYR A 111 -6.970 -3.536 9.373 1.00 0.00 C ATOM 1154 OH TYR A 111 -7.412 -2.601 10.280 1.00 0.00 O ATOM 0 H TYR A 111 -5.815 -5.823 3.739 1.00 0.00 H new ATOM 0 HA TYR A 111 -4.011 -5.084 5.933 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -6.424 -6.914 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.038 -7.236 7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -7.281 -4.368 6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -4.975 -6.243 9.186 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -8.070 -2.691 7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -5.775 -4.579 10.807 1.00 0.00 H new ATOM 0 HH TYR A 111 -7.021 -2.788 11.159 1.00 0.00 H new ATOM 1164 N LEU A 112 -2.449 -6.781 5.208 1.00 0.00 N ATOM 1165 CA LEU A 112 -1.453 -7.743 4.769 1.00 0.00 C ATOM 1166 C LEU A 112 -1.192 -8.739 5.888 1.00 0.00 C ATOM 1167 O LEU A 112 -0.495 -8.429 6.855 1.00 0.00 O ATOM 1168 CB LEU A 112 -0.155 -7.031 4.384 1.00 0.00 C ATOM 1169 CG LEU A 112 0.745 -7.797 3.414 1.00 0.00 C ATOM 1170 CD1 LEU A 112 0.910 -9.241 3.862 1.00 0.00 C ATOM 1171 CD2 LEU A 112 0.174 -7.732 2.006 1.00 0.00 C ATOM 0 H LEU A 112 -2.070 -6.003 5.748 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.826 -8.271 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.406 -6.068 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.410 -6.824 5.293 1.00 0.00 H new ATOM 0 HG LEU A 112 1.730 -7.330 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.554 -9.769 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.360 -9.265 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.066 -9.726 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.824 -8.281 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.821 -8.177 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.110 -6.692 1.687 1.00 0.00 H new ATOM 1183 N ASP A 113 -1.773 -9.927 5.773 1.00 0.00 N ATOM 1184 CA ASP A 113 -1.615 -10.944 6.800 1.00 0.00 C ATOM 1185 C ASP A 113 -2.324 -10.485 8.083 1.00 0.00 C ATOM 1186 O ASP A 113 -3.522 -10.205 8.059 1.00 0.00 O ATOM 1187 CB ASP A 113 -0.125 -11.223 7.041 1.00 0.00 C ATOM 1188 CG ASP A 113 0.111 -12.527 7.779 1.00 0.00 C ATOM 1189 OD1 ASP A 113 0.821 -13.397 7.232 1.00 0.00 O ATOM 1190 OD2 ASP A 113 -0.414 -12.677 8.902 1.00 0.00 O ATOM 0 H ASP A 113 -2.354 -10.207 4.983 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.073 -11.878 6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.395 -11.252 6.084 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.307 -10.402 7.614 1.00 0.00 H new ATOM 1195 N SER A 114 -1.595 -10.390 9.194 1.00 0.00 N ATOM 1196 CA SER A 114 -2.180 -9.944 10.452 1.00 0.00 C ATOM 1197 C SER A 114 -1.912 -8.457 10.683 1.00 0.00 C ATOM 1198 O SER A 114 -2.111 -7.949 11.787 1.00 0.00 O ATOM 1199 CB SER A 114 -1.619 -10.762 11.617 1.00 0.00 C ATOM 1200 OG SER A 114 -0.230 -10.994 11.455 1.00 0.00 O ATOM 0 H SER A 114 -0.602 -10.616 9.246 1.00 0.00 H new ATOM 0 HA SER A 114 -3.258 -10.095 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.796 -10.235 12.554 1.00 0.00 H new ATOM 0 HB3 SER A 114 -2.145 -11.715 11.683 1.00 0.00 H new ATOM 0 HG SER A 114 0.105 -11.517 12.213 1.00 0.00 H new ATOM 1206 N VAL A 115 -1.450 -7.762 9.643 1.00 0.00 N ATOM 1207 CA VAL A 115 -1.150 -6.339 9.752 1.00 0.00 C ATOM 1208 C VAL A 115 -2.026 -5.511 8.817 1.00 0.00 C ATOM 1209 O VAL A 115 -2.499 -6.002 7.793 1.00 0.00 O ATOM 1210 CB VAL A 115 0.332 -6.055 9.431 1.00 0.00 C ATOM 1211 CG1 VAL A 115 0.667 -4.594 9.687 1.00 0.00 C ATOM 1212 CG2 VAL A 115 1.240 -6.967 10.244 1.00 0.00 C ATOM 0 H VAL A 115 -1.277 -8.161 8.721 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.358 -6.053 10.783 1.00 0.00 H new ATOM 0 HB VAL A 115 0.499 -6.261 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 115 1.717 -4.415 9.454 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.043 -3.962 9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.482 -4.356 10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 115 2.281 -6.752 10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 115 1.070 -6.796 11.307 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.020 -8.007 10.004 1.00 0.00 H new ATOM 1222 N GLU A 116 -2.233 -4.248 9.180 1.00 0.00 N ATOM 1223 CA GLU A 116 -3.047 -3.344 8.375 1.00 0.00 C ATOM 1224 C GLU A 116 -2.184 -2.611 7.352 1.00 0.00 C ATOM 1225 O GLU A 116 -1.093 -2.141 7.673 1.00 0.00 O ATOM 1226 CB GLU A 116 -3.766 -2.333 9.274 1.00 0.00 C ATOM 1227 CG GLU A 116 -2.830 -1.342 9.949 1.00 0.00 C ATOM 1228 CD GLU A 116 -3.254 -1.013 11.367 1.00 0.00 C ATOM 1229 OE1 GLU A 116 -3.784 0.097 11.587 1.00 0.00 O ATOM 1230 OE2 GLU A 116 -3.057 -1.866 12.258 1.00 0.00 O ATOM 0 H GLU A 116 -1.848 -3.828 10.026 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.791 -3.936 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.494 -1.783 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.323 -2.873 10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -1.820 -1.752 9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.794 -0.424 9.362 1.00 0.00 H new ATOM 1237 N VAL A 117 -2.674 -2.523 6.120 1.00 0.00 N ATOM 1238 CA VAL A 117 -1.937 -1.852 5.058 1.00 0.00 C ATOM 1239 C VAL A 117 -2.854 -1.019 4.166 1.00 0.00 C ATOM 1240 O VAL A 117 -4.086 -1.153 4.194 1.00 0.00 O ATOM 1241 CB VAL A 117 -1.168 -2.859 4.182 1.00 0.00 C ATOM 1242 CG1 VAL A 117 0.010 -3.443 4.947 1.00 0.00 C ATOM 1243 CG2 VAL A 117 -2.097 -3.959 3.694 1.00 0.00 C ATOM 0 H VAL A 117 -3.575 -2.907 5.834 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.228 -1.188 5.553 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.778 -2.332 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.541 -4.152 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 117 0.687 -2.641 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.353 -3.955 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.537 -4.661 3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.519 -4.485 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.902 -3.520 3.105 1.00 0.00 H new ATOM 1253 N HIS A 118 -2.228 -0.149 3.382 1.00 0.00 N ATOM 1254 CA HIS A 118 -2.943 0.740 2.476 1.00 0.00 C ATOM 1255 C HIS A 118 -2.772 0.312 1.020 1.00 0.00 C ATOM 1256 O HIS A 118 -1.732 0.551 0.407 1.00 0.00 O ATOM 1257 CB HIS A 118 -2.423 2.162 2.661 1.00 0.00 C ATOM 1258 CG HIS A 118 -3.160 3.201 1.869 1.00 0.00 C ATOM 1259 ND1 HIS A 118 -3.975 4.146 2.452 1.00 0.00 N ATOM 1260 CD2 HIS A 118 -3.182 3.461 0.539 1.00 0.00 C ATOM 1261 CE1 HIS A 118 -4.464 4.939 1.516 1.00 0.00 C ATOM 1262 NE2 HIS A 118 -4.000 4.542 0.347 1.00 0.00 N ATOM 0 H HIS A 118 -1.214 -0.041 3.357 1.00 0.00 H new ATOM 0 HA HIS A 118 -4.006 0.693 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -2.479 2.421 3.718 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.370 2.190 2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.652 2.916 -0.228 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.131 5.772 1.680 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -4.215 4.970 -0.553 1.00 0.00 H new ATOM 1271 N LEU A 119 -3.812 -0.306 0.470 1.00 0.00 N ATOM 1272 CA LEU A 119 -3.801 -0.755 -0.917 1.00 0.00 C ATOM 1273 C LEU A 119 -4.746 0.113 -1.748 1.00 0.00 C ATOM 1274 O LEU A 119 -5.963 0.049 -1.575 1.00 0.00 O ATOM 1275 CB LEU A 119 -4.224 -2.220 -0.996 1.00 0.00 C ATOM 1276 CG LEU A 119 -4.165 -2.835 -2.388 1.00 0.00 C ATOM 1277 CD1 LEU A 119 -4.039 -4.347 -2.302 1.00 0.00 C ATOM 1278 CD2 LEU A 119 -5.389 -2.439 -3.188 1.00 0.00 C ATOM 0 H LEU A 119 -4.679 -0.508 0.968 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.791 -0.661 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.586 -2.803 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.243 -2.309 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.281 -2.454 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -3.998 -4.766 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -3.127 -4.606 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -4.901 -4.754 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.335 -2.885 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.286 -2.793 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.428 -1.354 -3.280 1.00 0.00 H new ATOM 1290 N PRO A 120 -4.205 0.957 -2.648 1.00 0.00 N ATOM 1291 CA PRO A 120 -5.016 1.849 -3.476 1.00 0.00 C ATOM 1292 C PRO A 120 -6.220 1.146 -4.102 1.00 0.00 C ATOM 1293 O PRO A 120 -6.129 0.003 -4.542 1.00 0.00 O ATOM 1294 CB PRO A 120 -4.050 2.345 -4.561 1.00 0.00 C ATOM 1295 CG PRO A 120 -2.760 1.623 -4.338 1.00 0.00 C ATOM 1296 CD PRO A 120 -2.774 1.130 -2.919 1.00 0.00 C ATOM 0 HA PRO A 120 -5.444 2.656 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -4.444 2.138 -5.556 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -3.909 3.424 -4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -2.658 0.791 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -1.912 2.287 -4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -2.226 0.194 -2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -2.317 1.847 -2.237 1.00 0.00 H new ATOM 1304 N PRO A 121 -7.372 1.833 -4.140 1.00 0.00 N ATOM 1305 CA PRO A 121 -8.621 1.290 -4.699 1.00 0.00 C ATOM 1306 C PRO A 121 -8.502 0.788 -6.141 1.00 0.00 C ATOM 1307 O PRO A 121 -9.418 0.136 -6.644 1.00 0.00 O ATOM 1308 CB PRO A 121 -9.588 2.481 -4.641 1.00 0.00 C ATOM 1309 CG PRO A 121 -8.726 3.680 -4.443 1.00 0.00 C ATOM 1310 CD PRO A 121 -7.567 3.200 -3.629 1.00 0.00 C ATOM 0 HA PRO A 121 -8.939 0.413 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.168 2.561 -5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.300 2.370 -3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.394 4.088 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.267 4.473 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.682 3.819 -3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.788 3.208 -2.562 1.00 0.00 H new ATOM 1318 N PHE A 122 -7.397 1.095 -6.813 1.00 0.00 N ATOM 1319 CA PHE A 122 -7.227 0.663 -8.202 1.00 0.00 C ATOM 1320 C PHE A 122 -6.644 -0.746 -8.305 1.00 0.00 C ATOM 1321 O PHE A 122 -6.592 -1.314 -9.397 1.00 0.00 O ATOM 1322 CB PHE A 122 -6.366 1.646 -9.017 1.00 0.00 C ATOM 1323 CG PHE A 122 -5.582 2.648 -8.212 1.00 0.00 C ATOM 1324 CD1 PHE A 122 -4.198 2.649 -8.258 1.00 0.00 C ATOM 1325 CD2 PHE A 122 -6.222 3.597 -7.427 1.00 0.00 C ATOM 1326 CE1 PHE A 122 -3.466 3.572 -7.539 1.00 0.00 C ATOM 1327 CE2 PHE A 122 -5.495 4.523 -6.703 1.00 0.00 C ATOM 1328 CZ PHE A 122 -4.115 4.510 -6.759 1.00 0.00 C ATOM 0 H PHE A 122 -6.618 1.631 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.229 0.649 -8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -5.669 1.071 -9.626 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.017 2.188 -9.703 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.685 1.918 -8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -7.301 3.612 -7.381 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.387 3.561 -7.586 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.005 5.255 -6.095 1.00 0.00 H new ATOM 0 HZ PHE A 122 -3.544 5.232 -6.194 1.00 0.00 H new ATOM 1338 N TRP A 123 -6.212 -1.319 -7.185 1.00 0.00 N ATOM 1339 CA TRP A 123 -5.649 -2.665 -7.203 1.00 0.00 C ATOM 1340 C TRP A 123 -6.631 -3.687 -6.634 1.00 0.00 C ATOM 1341 O TRP A 123 -6.369 -4.890 -6.664 1.00 0.00 O ATOM 1342 CB TRP A 123 -4.339 -2.695 -6.423 1.00 0.00 C ATOM 1343 CG TRP A 123 -3.315 -1.750 -6.959 1.00 0.00 C ATOM 1344 CD1 TRP A 123 -3.262 -1.209 -8.210 1.00 0.00 C ATOM 1345 CD2 TRP A 123 -2.197 -1.231 -6.249 1.00 0.00 C ATOM 1346 NE1 TRP A 123 -2.172 -0.374 -8.315 1.00 0.00 N ATOM 1347 CE2 TRP A 123 -1.504 -0.374 -7.120 1.00 0.00 C ATOM 1348 CE3 TRP A 123 -1.717 -1.408 -4.954 1.00 0.00 C ATOM 1349 CZ2 TRP A 123 -0.356 0.305 -6.731 1.00 0.00 C ATOM 1350 CZ3 TRP A 123 -0.582 -0.734 -4.572 1.00 0.00 C ATOM 1351 CH2 TRP A 123 0.085 0.113 -5.454 1.00 0.00 C ATOM 0 H TRP A 123 -6.240 -0.879 -6.265 1.00 0.00 H new ATOM 0 HA TRP A 123 -5.453 -2.935 -8.240 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -4.539 -2.451 -5.380 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -3.935 -3.707 -6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 123 -3.970 -1.406 -9.001 1.00 0.00 H new ATOM 0 HE1 TRP A 123 -1.907 0.156 -9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.227 -2.063 -4.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.167 0.959 -7.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -0.200 -0.863 -3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.972 0.630 -5.119 1.00 0.00 H new ATOM 1362 N GLU A 124 -7.766 -3.208 -6.125 1.00 0.00 N ATOM 1363 CA GLU A 124 -8.783 -4.094 -5.565 1.00 0.00 C ATOM 1364 C GLU A 124 -9.120 -5.210 -6.549 1.00 0.00 C ATOM 1365 O GLU A 124 -9.519 -6.306 -6.152 1.00 0.00 O ATOM 1366 CB GLU A 124 -10.047 -3.304 -5.214 1.00 0.00 C ATOM 1367 CG GLU A 124 -10.519 -2.377 -6.318 1.00 0.00 C ATOM 1368 CD GLU A 124 -11.673 -2.955 -7.113 1.00 0.00 C ATOM 1369 OE1 GLU A 124 -12.482 -2.167 -7.645 1.00 0.00 O ATOM 1370 OE2 GLU A 124 -11.768 -4.198 -7.203 1.00 0.00 O ATOM 0 H GLU A 124 -8.002 -2.216 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 124 -8.384 -4.540 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -10.847 -4.005 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -9.859 -2.716 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -10.824 -1.425 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.688 -2.168 -6.991 1.00 0.00 H new ATOM 1377 N GLN A 125 -8.946 -4.923 -7.836 1.00 0.00 N ATOM 1378 CA GLN A 125 -9.219 -5.898 -8.883 1.00 0.00 C ATOM 1379 C GLN A 125 -7.938 -6.623 -9.286 1.00 0.00 C ATOM 1380 O GLN A 125 -7.979 -7.760 -9.757 1.00 0.00 O ATOM 1381 CB GLN A 125 -9.835 -5.209 -10.102 1.00 0.00 C ATOM 1382 CG GLN A 125 -9.041 -4.005 -10.587 1.00 0.00 C ATOM 1383 CD GLN A 125 -9.801 -2.703 -10.433 1.00 0.00 C ATOM 1384 OE1 GLN A 125 -10.774 -2.623 -9.681 1.00 0.00 O ATOM 1385 NE2 GLN A 125 -9.361 -1.673 -11.145 1.00 0.00 N ATOM 0 H GLN A 125 -8.616 -4.020 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.927 -6.630 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -9.917 -5.931 -10.914 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -10.848 -4.890 -9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.106 -3.943 -10.030 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.779 -4.146 -11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.551 -1.784 -11.755 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -9.833 -0.771 -11.082 1.00 0.00 H new ATOM 1394 N TYR A 126 -6.800 -5.958 -9.095 1.00 0.00 N ATOM 1395 CA TYR A 126 -5.507 -6.541 -9.436 1.00 0.00 C ATOM 1396 C TYR A 126 -5.010 -7.478 -8.336 1.00 0.00 C ATOM 1397 O TYR A 126 -3.990 -8.149 -8.499 1.00 0.00 O ATOM 1398 CB TYR A 126 -4.470 -5.443 -9.679 1.00 0.00 C ATOM 1399 CG TYR A 126 -4.947 -4.329 -10.589 1.00 0.00 C ATOM 1400 CD1 TYR A 126 -4.286 -3.108 -10.620 1.00 0.00 C ATOM 1401 CD2 TYR A 126 -6.053 -4.494 -11.416 1.00 0.00 C ATOM 1402 CE1 TYR A 126 -4.710 -2.086 -11.447 1.00 0.00 C ATOM 1403 CE2 TYR A 126 -6.483 -3.477 -12.246 1.00 0.00 C ATOM 1404 CZ TYR A 126 -5.809 -2.275 -12.257 1.00 0.00 C ATOM 1405 OH TYR A 126 -6.233 -1.259 -13.082 1.00 0.00 O ATOM 0 H TYR A 126 -6.749 -5.016 -8.706 1.00 0.00 H new ATOM 0 HA TYR A 126 -5.641 -7.120 -10.349 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.180 -5.014 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.576 -5.892 -10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -3.425 -2.955 -9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -6.585 -5.434 -11.409 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -4.183 -1.143 -11.459 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -7.343 -3.623 -12.883 1.00 0.00 H new ATOM 0 HH TYR A 126 -7.019 -1.554 -13.587 1.00 0.00 H new ATOM 1415 N ILE A 127 -5.722 -7.511 -7.211 1.00 0.00 N ATOM 1416 CA ILE A 127 -5.332 -8.356 -6.088 1.00 0.00 C ATOM 1417 C ILE A 127 -5.991 -9.732 -6.145 1.00 0.00 C ATOM 1418 O ILE A 127 -7.200 -9.863 -5.956 1.00 0.00 O ATOM 1419 CB ILE A 127 -5.681 -7.692 -4.743 1.00 0.00 C ATOM 1420 CG1 ILE A 127 -7.157 -7.285 -4.710 1.00 0.00 C ATOM 1421 CG2 ILE A 127 -4.790 -6.483 -4.505 1.00 0.00 C ATOM 1422 CD1 ILE A 127 -7.859 -7.665 -3.425 1.00 0.00 C ATOM 0 H ILE A 127 -6.569 -6.964 -7.055 1.00 0.00 H new ATOM 0 HA ILE A 127 -4.252 -8.483 -6.165 1.00 0.00 H new ATOM 0 HB ILE A 127 -5.508 -8.414 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -7.232 -6.207 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -7.673 -7.752 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -5.048 -6.023 -3.551 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -3.747 -6.798 -4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -4.936 -5.760 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -8.900 -7.346 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -7.816 -8.746 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -7.367 -7.177 -2.584 1.00 0.00 H new ATOM 1434 N ASN A 128 -5.180 -10.757 -6.388 1.00 0.00 N ATOM 1435 CA ASN A 128 -5.671 -12.131 -6.449 1.00 0.00 C ATOM 1436 C ASN A 128 -5.303 -12.881 -5.169 1.00 0.00 C ATOM 1437 O ASN A 128 -4.869 -12.272 -4.192 1.00 0.00 O ATOM 1438 CB ASN A 128 -5.088 -12.852 -7.665 1.00 0.00 C ATOM 1439 CG ASN A 128 -5.215 -12.036 -8.937 1.00 0.00 C ATOM 1440 OD1 ASN A 128 -6.100 -12.278 -9.758 1.00 0.00 O ATOM 1441 ND2 ASN A 128 -4.328 -11.063 -9.107 1.00 0.00 N ATOM 0 H ASN A 128 -4.177 -10.662 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 128 -6.757 -12.107 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -4.037 -13.074 -7.483 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.597 -13.807 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -4.363 -10.481 -9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -3.611 -10.897 -8.401 1.00 0.00 H new ATOM 1448 N ASP A 129 -5.472 -14.204 -5.176 1.00 0.00 N ATOM 1449 CA ASP A 129 -5.147 -15.024 -4.006 1.00 0.00 C ATOM 1450 C ASP A 129 -3.767 -14.660 -3.464 1.00 0.00 C ATOM 1451 O ASP A 129 -3.621 -14.284 -2.302 1.00 0.00 O ATOM 1452 CB ASP A 129 -5.195 -16.509 -4.366 1.00 0.00 C ATOM 1453 CG ASP A 129 -5.542 -17.382 -3.176 1.00 0.00 C ATOM 1454 OD1 ASP A 129 -4.683 -18.186 -2.759 1.00 0.00 O ATOM 1455 OD2 ASP A 129 -6.675 -17.260 -2.662 1.00 0.00 O ATOM 0 H ASP A 129 -5.830 -14.729 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 129 -5.889 -14.826 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.931 -16.665 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -4.229 -16.814 -4.767 1.00 0.00 H new ATOM 1460 N GLU A 130 -2.764 -14.749 -4.328 1.00 0.00 N ATOM 1461 CA GLU A 130 -1.395 -14.402 -3.964 1.00 0.00 C ATOM 1462 C GLU A 130 -0.892 -13.323 -4.912 1.00 0.00 C ATOM 1463 O GLU A 130 -0.975 -13.480 -6.129 1.00 0.00 O ATOM 1464 CB GLU A 130 -0.491 -15.636 -4.032 1.00 0.00 C ATOM 1465 CG GLU A 130 0.471 -15.749 -2.860 1.00 0.00 C ATOM 1466 CD GLU A 130 0.980 -17.164 -2.661 1.00 0.00 C ATOM 1467 OE1 GLU A 130 1.381 -17.495 -1.526 1.00 0.00 O ATOM 1468 OE2 GLU A 130 0.978 -17.939 -3.640 1.00 0.00 O ATOM 0 H GLU A 130 -2.874 -15.061 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.375 -14.028 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.113 -16.530 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.081 -15.607 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.317 -15.081 -3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.028 -15.415 -1.951 1.00 0.00 H new ATOM 1475 N ASN A 131 -0.406 -12.212 -4.366 1.00 0.00 N ATOM 1476 CA ASN A 131 0.057 -11.118 -5.211 1.00 0.00 C ATOM 1477 C ASN A 131 1.369 -10.526 -4.737 1.00 0.00 C ATOM 1478 O ASN A 131 1.673 -10.510 -3.545 1.00 0.00 O ATOM 1479 CB ASN A 131 -0.994 -10.005 -5.265 1.00 0.00 C ATOM 1480 CG ASN A 131 -2.399 -10.501 -4.982 1.00 0.00 C ATOM 1481 OD1 ASN A 131 -2.806 -11.555 -5.467 1.00 0.00 O ATOM 1482 ND2 ASN A 131 -3.147 -9.740 -4.192 1.00 0.00 N ATOM 0 H ASN A 131 -0.324 -12.047 -3.363 1.00 0.00 H new ATOM 0 HA ASN A 131 0.217 -11.542 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -0.735 -9.233 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.971 -9.539 -6.250 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.101 -10.023 -3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -2.768 -8.873 -3.812 1.00 0.00 H new ATOM 1489 N THR A 132 2.118 -9.992 -5.692 1.00 0.00 N ATOM 1490 CA THR A 132 3.378 -9.337 -5.399 1.00 0.00 C ATOM 1491 C THR A 132 3.073 -7.942 -4.883 1.00 0.00 C ATOM 1492 O THR A 132 2.624 -7.076 -5.641 1.00 0.00 O ATOM 1493 CB THR A 132 4.257 -9.265 -6.648 1.00 0.00 C ATOM 1494 OG1 THR A 132 4.135 -10.449 -7.417 1.00 0.00 O ATOM 1495 CG2 THR A 132 5.725 -9.069 -6.337 1.00 0.00 C ATOM 0 H THR A 132 1.870 -10.002 -6.681 1.00 0.00 H new ATOM 0 HA THR A 132 3.926 -9.906 -4.648 1.00 0.00 H new ATOM 0 HB THR A 132 3.900 -8.396 -7.201 1.00 0.00 H new ATOM 0 HG1 THR A 132 4.704 -10.383 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 132 6.291 -9.027 -7.267 1.00 0.00 H new ATOM 0 HG22 THR A 132 5.859 -8.137 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 132 6.083 -9.902 -5.732 1.00 0.00 H new ATOM 1503 N VAL A 133 3.268 -7.742 -3.587 1.00 0.00 N ATOM 1504 CA VAL A 133 2.966 -6.462 -2.963 1.00 0.00 C ATOM 1505 C VAL A 133 4.210 -5.764 -2.432 1.00 0.00 C ATOM 1506 O VAL A 133 4.904 -6.281 -1.556 1.00 0.00 O ATOM 1507 CB VAL A 133 1.950 -6.613 -1.804 1.00 0.00 C ATOM 1508 CG1 VAL A 133 0.596 -6.057 -2.205 1.00 0.00 C ATOM 1509 CG2 VAL A 133 1.819 -8.066 -1.360 1.00 0.00 C ATOM 0 H VAL A 133 3.633 -8.449 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 133 2.530 -5.850 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 133 2.328 -6.039 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -0.104 -6.172 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.695 -5.000 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 133 0.223 -6.599 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.098 -8.134 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 133 1.478 -8.673 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.788 -8.431 -1.018 1.00 0.00 H new ATOM 1519 N GLU A 134 4.455 -4.564 -2.943 1.00 0.00 N ATOM 1520 CA GLU A 134 5.578 -3.758 -2.500 1.00 0.00 C ATOM 1521 C GLU A 134 5.049 -2.562 -1.729 1.00 0.00 C ATOM 1522 O GLU A 134 4.351 -1.712 -2.285 1.00 0.00 O ATOM 1523 CB GLU A 134 6.425 -3.288 -3.679 1.00 0.00 C ATOM 1524 CG GLU A 134 6.810 -4.402 -4.639 1.00 0.00 C ATOM 1525 CD GLU A 134 7.836 -3.960 -5.664 1.00 0.00 C ATOM 1526 OE1 GLU A 134 8.757 -3.203 -5.292 1.00 0.00 O ATOM 1527 OE2 GLU A 134 7.718 -4.370 -6.837 1.00 0.00 O ATOM 0 H GLU A 134 3.886 -4.128 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 134 6.216 -4.366 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 134 5.876 -2.522 -4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.332 -2.819 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 134 7.208 -5.244 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 134 5.917 -4.758 -5.154 1.00 0.00 H new ATOM 1534 N LEU A 135 5.349 -2.520 -0.440 1.00 0.00 N ATOM 1535 CA LEU A 135 4.860 -1.441 0.410 1.00 0.00 C ATOM 1536 C LEU A 135 5.943 -0.873 1.318 1.00 0.00 C ATOM 1537 O LEU A 135 6.863 -1.577 1.732 1.00 0.00 O ATOM 1538 CB LEU A 135 3.700 -1.951 1.271 1.00 0.00 C ATOM 1539 CG LEU A 135 3.916 -3.330 1.899 1.00 0.00 C ATOM 1540 CD1 LEU A 135 4.797 -3.229 3.135 1.00 0.00 C ATOM 1541 CD2 LEU A 135 2.580 -3.973 2.243 1.00 0.00 C ATOM 0 H LEU A 135 5.924 -3.213 0.039 1.00 0.00 H new ATOM 0 HA LEU A 135 4.529 -0.639 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 135 3.515 -1.231 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 135 2.800 -1.985 0.657 1.00 0.00 H new ATOM 0 HG LEU A 135 4.426 -3.961 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 135 4.937 -4.221 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 135 5.766 -2.814 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 135 4.320 -2.580 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.752 -4.953 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 135 2.044 -3.341 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 135 1.986 -4.086 1.336 1.00 0.00 H new ATOM 1553 N ILE A 136 5.793 0.404 1.652 1.00 0.00 N ATOM 1554 CA ILE A 136 6.719 1.087 2.547 1.00 0.00 C ATOM 1555 C ILE A 136 6.010 1.345 3.871 1.00 0.00 C ATOM 1556 O ILE A 136 4.868 1.785 3.881 1.00 0.00 O ATOM 1557 CB ILE A 136 7.249 2.426 1.968 1.00 0.00 C ATOM 1558 CG1 ILE A 136 6.730 2.686 0.548 1.00 0.00 C ATOM 1559 CG2 ILE A 136 8.765 2.416 1.957 1.00 0.00 C ATOM 1560 CD1 ILE A 136 6.679 4.155 0.189 1.00 0.00 C ATOM 0 H ILE A 136 5.031 0.991 1.312 1.00 0.00 H new ATOM 0 HA ILE A 136 7.587 0.442 2.682 1.00 0.00 H new ATOM 0 HB ILE A 136 6.882 3.228 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.369 2.167 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.731 2.260 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 136 9.132 3.358 1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 136 9.135 2.292 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 136 9.119 1.591 1.339 1.00 0.00 H new ATOM 0 HD11 ILE A 136 6.303 4.268 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 136 6.017 4.676 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 136 7.680 4.581 0.255 1.00 0.00 H new ATOM 1572 N HIS A 137 6.667 1.046 4.984 1.00 0.00 N ATOM 1573 CA HIS A 137 6.046 1.221 6.289 1.00 0.00 C ATOM 1574 C HIS A 137 6.019 2.682 6.715 1.00 0.00 C ATOM 1575 O HIS A 137 7.059 3.317 6.880 1.00 0.00 O ATOM 1576 CB HIS A 137 6.758 0.348 7.321 1.00 0.00 C ATOM 1577 CG HIS A 137 6.890 -1.076 6.870 1.00 0.00 C ATOM 1578 ND1 HIS A 137 6.163 -2.117 7.412 1.00 0.00 N ATOM 1579 CD2 HIS A 137 7.648 -1.625 5.891 1.00 0.00 C ATOM 1580 CE1 HIS A 137 6.471 -3.240 6.783 1.00 0.00 C ATOM 1581 NE2 HIS A 137 7.370 -2.967 5.859 1.00 0.00 N ATOM 0 H HIS A 137 7.621 0.685 5.010 1.00 0.00 H new ATOM 0 HA HIS A 137 5.006 0.902 6.219 1.00 0.00 H new ATOM 0 HB2 HIS A 137 7.749 0.757 7.518 1.00 0.00 H new ATOM 0 HB3 HIS A 137 6.208 0.379 8.261 1.00 0.00 H new ATOM 0 HD1 HIS A 137 5.494 -2.034 8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 137 8.344 -1.101 5.252 1.00 0.00 H new ATOM 0 HE1 HIS A 137 6.056 -4.215 6.992 1.00 0.00 H new ATOM 1590 N THR A 138 4.808 3.210 6.885 1.00 0.00 N ATOM 1591 CA THR A 138 4.629 4.598 7.286 1.00 0.00 C ATOM 1592 C THR A 138 4.580 4.709 8.807 1.00 0.00 C ATOM 1593 O THR A 138 4.984 3.789 9.518 1.00 0.00 O ATOM 1594 CB THR A 138 3.338 5.163 6.677 1.00 0.00 C ATOM 1595 OG1 THR A 138 2.227 4.878 7.508 1.00 0.00 O ATOM 1596 CG2 THR A 138 3.022 4.623 5.297 1.00 0.00 C ATOM 0 H THR A 138 3.938 2.695 6.750 1.00 0.00 H new ATOM 0 HA THR A 138 5.476 5.177 6.919 1.00 0.00 H new ATOM 0 HB THR A 138 3.514 6.235 6.593 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.940 3.952 7.364 1.00 0.00 H new ATOM 0 HG21 THR A 138 2.096 5.069 4.935 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.835 4.870 4.615 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.907 3.540 5.347 1.00 0.00 H new ATOM 1604 N ASP A 139 4.065 5.829 9.301 1.00 0.00 N ATOM 1605 CA ASP A 139 3.945 6.042 10.737 1.00 0.00 C ATOM 1606 C ASP A 139 2.772 5.235 11.284 1.00 0.00 C ATOM 1607 O ASP A 139 2.674 4.989 12.485 1.00 0.00 O ATOM 1608 CB ASP A 139 3.748 7.528 11.041 1.00 0.00 C ATOM 1609 CG ASP A 139 3.996 7.857 12.501 1.00 0.00 C ATOM 1610 OD1 ASP A 139 5.095 8.355 12.818 1.00 0.00 O ATOM 1611 OD2 ASP A 139 3.089 7.617 13.325 1.00 0.00 O ATOM 0 H ASP A 139 3.725 6.602 8.729 1.00 0.00 H new ATOM 0 HA ASP A 139 4.864 5.708 11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 139 4.423 8.116 10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 139 2.732 7.819 10.773 1.00 0.00 H new ATOM 1616 N SER A 140 1.887 4.822 10.380 1.00 0.00 N ATOM 1617 CA SER A 140 0.716 4.037 10.745 1.00 0.00 C ATOM 1618 C SER A 140 0.831 2.619 10.200 1.00 0.00 C ATOM 1619 O SER A 140 1.061 1.669 10.947 1.00 0.00 O ATOM 1620 CB SER A 140 -0.550 4.701 10.202 1.00 0.00 C ATOM 1621 OG SER A 140 -0.502 4.809 8.788 1.00 0.00 O ATOM 0 H SER A 140 1.962 5.021 9.382 1.00 0.00 H new ATOM 0 HA SER A 140 0.658 3.989 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 140 -1.424 4.120 10.496 1.00 0.00 H new ATOM 0 HB3 SER A 140 -0.663 5.692 10.642 1.00 0.00 H new ATOM 0 HG SER A 140 -1.414 4.863 8.433 1.00 0.00 H new ATOM 1627 N LEU A 141 0.671 2.493 8.890 1.00 0.00 N ATOM 1628 CA LEU A 141 0.755 1.200 8.223 1.00 0.00 C ATOM 1629 C LEU A 141 1.553 1.312 6.928 1.00 0.00 C ATOM 1630 O LEU A 141 1.858 2.412 6.466 1.00 0.00 O ATOM 1631 CB LEU A 141 -0.647 0.664 7.926 1.00 0.00 C ATOM 1632 CG LEU A 141 -1.681 1.725 7.542 1.00 0.00 C ATOM 1633 CD1 LEU A 141 -2.618 1.196 6.466 1.00 0.00 C ATOM 1634 CD2 LEU A 141 -2.469 2.168 8.766 1.00 0.00 C ATOM 0 H LEU A 141 0.481 3.276 8.264 1.00 0.00 H new ATOM 0 HA LEU A 141 1.268 0.506 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -0.577 -0.062 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -1.008 0.129 8.804 1.00 0.00 H new ATOM 0 HG LEU A 141 -1.153 2.590 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.346 1.965 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.041 0.929 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.139 0.314 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.200 2.923 8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.985 1.310 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.787 2.589 9.505 1.00 0.00 H new ATOM 1646 N PRO A 142 1.926 0.168 6.334 1.00 0.00 N ATOM 1647 CA PRO A 142 2.704 0.135 5.098 1.00 0.00 C ATOM 1648 C PRO A 142 1.874 0.492 3.871 1.00 0.00 C ATOM 1649 O PRO A 142 0.858 -0.140 3.583 1.00 0.00 O ATOM 1650 CB PRO A 142 3.188 -1.318 5.002 1.00 0.00 C ATOM 1651 CG PRO A 142 2.851 -1.936 6.317 1.00 0.00 C ATOM 1652 CD PRO A 142 1.656 -1.184 6.827 1.00 0.00 C ATOM 0 HA PRO A 142 3.512 0.867 5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 142 2.695 -1.843 4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 142 4.260 -1.363 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 142 2.627 -2.997 6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 142 3.688 -1.859 7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 142 0.722 -1.584 6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 142 1.585 -1.217 7.914 1.00 0.00 H new ATOM 1660 N LEU A 143 2.336 1.497 3.143 1.00 0.00 N ATOM 1661 CA LEU A 143 1.669 1.940 1.927 1.00 0.00 C ATOM 1662 C LEU A 143 2.160 1.120 0.744 1.00 0.00 C ATOM 1663 O LEU A 143 3.345 1.139 0.414 1.00 0.00 O ATOM 1664 CB LEU A 143 1.940 3.424 1.675 1.00 0.00 C ATOM 1665 CG LEU A 143 1.024 4.092 0.644 1.00 0.00 C ATOM 1666 CD1 LEU A 143 1.241 3.520 -0.746 1.00 0.00 C ATOM 1667 CD2 LEU A 143 -0.424 3.933 1.047 1.00 0.00 C ATOM 0 H LEU A 143 3.177 2.025 3.375 1.00 0.00 H new ATOM 0 HA LEU A 143 0.595 1.798 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 143 1.846 3.959 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 143 2.973 3.537 1.346 1.00 0.00 H new ATOM 0 HG LEU A 143 1.275 5.152 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 143 0.575 4.017 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 143 2.276 3.681 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 143 1.028 2.451 -0.737 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -1.063 4.412 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -0.671 2.873 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -0.584 4.399 2.019 1.00 0.00 H new ATOM 1679 N VAL A 144 1.247 0.405 0.109 1.00 0.00 N ATOM 1680 CA VAL A 144 1.598 -0.418 -1.038 1.00 0.00 C ATOM 1681 C VAL A 144 1.825 0.455 -2.265 1.00 0.00 C ATOM 1682 O VAL A 144 0.879 0.918 -2.901 1.00 0.00 O ATOM 1683 CB VAL A 144 0.512 -1.476 -1.329 1.00 0.00 C ATOM 1684 CG1 VAL A 144 1.009 -2.482 -2.355 1.00 0.00 C ATOM 1685 CG2 VAL A 144 0.091 -2.183 -0.048 1.00 0.00 C ATOM 0 H VAL A 144 0.260 0.377 0.366 1.00 0.00 H new ATOM 0 HA VAL A 144 2.522 -0.945 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 144 -0.360 -0.966 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 144 0.230 -3.220 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 144 1.256 -1.965 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 144 1.898 -2.984 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.675 -2.924 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 144 0.955 -2.679 0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -0.309 -1.453 0.656 1.00 0.00 H new ATOM 1695 N ILE A 145 3.098 0.698 -2.574 1.00 0.00 N ATOM 1696 CA ILE A 145 3.471 1.540 -3.704 1.00 0.00 C ATOM 1697 C ILE A 145 3.345 0.807 -5.033 1.00 0.00 C ATOM 1698 O ILE A 145 3.152 1.433 -6.075 1.00 0.00 O ATOM 1699 CB ILE A 145 4.913 2.061 -3.561 1.00 0.00 C ATOM 1700 CG1 ILE A 145 5.883 0.900 -3.325 1.00 0.00 C ATOM 1701 CG2 ILE A 145 4.996 3.071 -2.426 1.00 0.00 C ATOM 1702 CD1 ILE A 145 7.019 0.851 -4.324 1.00 0.00 C ATOM 0 H ILE A 145 3.890 0.321 -2.053 1.00 0.00 H new ATOM 0 HA ILE A 145 2.775 2.379 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 145 5.198 2.558 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 145 6.297 0.981 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 145 5.331 -0.039 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.020 3.432 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 145 4.333 3.910 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 145 4.694 2.595 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 145 7.667 0.004 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 145 6.614 0.739 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.595 1.775 -4.266 1.00 0.00 H new ATOM 1714 N SER A 146 3.458 -0.517 -5.004 1.00 0.00 N ATOM 1715 CA SER A 146 3.355 -1.298 -6.232 1.00 0.00 C ATOM 1716 C SER A 146 2.650 -2.629 -5.996 1.00 0.00 C ATOM 1717 O SER A 146 2.547 -3.100 -4.863 1.00 0.00 O ATOM 1718 CB SER A 146 4.745 -1.537 -6.828 1.00 0.00 C ATOM 1719 OG SER A 146 5.304 -2.754 -6.361 1.00 0.00 O ATOM 0 H SER A 146 3.618 -1.065 -4.159 1.00 0.00 H new ATOM 0 HA SER A 146 2.755 -0.724 -6.938 1.00 0.00 H new ATOM 0 HB2 SER A 146 4.678 -1.559 -7.916 1.00 0.00 H new ATOM 0 HB3 SER A 146 5.403 -0.708 -6.566 1.00 0.00 H new ATOM 0 HG SER A 146 5.626 -3.280 -7.123 1.00 0.00 H new ATOM 1725 N LEU A 147 2.174 -3.229 -7.082 1.00 0.00 N ATOM 1726 CA LEU A 147 1.484 -4.507 -7.016 1.00 0.00 C ATOM 1727 C LEU A 147 1.778 -5.322 -8.265 1.00 0.00 C ATOM 1728 O LEU A 147 2.199 -4.777 -9.284 1.00 0.00 O ATOM 1729 CB LEU A 147 -0.025 -4.294 -6.873 1.00 0.00 C ATOM 1730 CG LEU A 147 -0.727 -5.270 -5.928 1.00 0.00 C ATOM 1731 CD1 LEU A 147 -0.792 -4.695 -4.523 1.00 0.00 C ATOM 1732 CD2 LEU A 147 -2.124 -5.596 -6.433 1.00 0.00 C ATOM 0 H LEU A 147 2.256 -2.845 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 147 1.843 -5.051 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -0.202 -3.278 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -0.483 -4.373 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.149 -6.194 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -1.295 -5.402 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.219 -4.513 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -1.347 -3.757 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -2.606 -6.292 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -2.712 -4.680 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -2.057 -6.050 -7.422 1.00 0.00 H new ATOM 1744 N ASN A 148 1.570 -6.628 -8.181 1.00 0.00 N ATOM 1745 CA ASN A 148 1.827 -7.517 -9.314 1.00 0.00 C ATOM 1746 C ASN A 148 1.289 -6.948 -10.630 1.00 0.00 C ATOM 1747 O ASN A 148 0.106 -7.083 -10.935 1.00 0.00 O ATOM 1748 CB ASN A 148 1.174 -8.874 -9.061 1.00 0.00 C ATOM 1749 CG ASN A 148 -0.231 -8.735 -8.501 1.00 0.00 C ATOM 1750 OD1 ASN A 148 -0.451 -8.020 -7.524 1.00 0.00 O ATOM 1751 ND2 ASN A 148 -1.192 -9.404 -9.126 1.00 0.00 N ATOM 0 H ASN A 148 1.225 -7.098 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 148 2.908 -7.620 -9.406 1.00 0.00 H new ATOM 0 HB2 ASN A 148 1.138 -9.438 -9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 148 1.787 -9.447 -8.365 1.00 0.00 H new ATOM 0 HD21 ASN A 148 -2.156 -9.336 -8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 148 -0.967 -9.986 -9.933 1.00 0.00 H new ATOM 1758 N GLY A 149 2.178 -6.356 -11.424 1.00 0.00 N ATOM 1759 CA GLY A 149 1.785 -5.819 -12.718 1.00 0.00 C ATOM 1760 C GLY A 149 1.077 -4.475 -12.650 1.00 0.00 C ATOM 1761 O GLY A 149 0.328 -4.124 -13.562 1.00 0.00 O ATOM 0 H GLY A 149 3.165 -6.238 -11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 149 2.674 -5.717 -13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 149 1.130 -6.537 -13.212 1.00 0.00 H new ATOM 1765 N HIS A 150 1.315 -3.714 -11.588 1.00 0.00 N ATOM 1766 CA HIS A 150 0.692 -2.398 -11.441 1.00 0.00 C ATOM 1767 C HIS A 150 1.500 -1.520 -10.501 1.00 0.00 C ATOM 1768 O HIS A 150 2.307 -2.013 -9.712 1.00 0.00 O ATOM 1769 CB HIS A 150 -0.741 -2.520 -10.923 1.00 0.00 C ATOM 1770 CG HIS A 150 -1.505 -3.646 -11.537 1.00 0.00 C ATOM 1771 ND1 HIS A 150 -2.326 -3.497 -12.636 1.00 0.00 N ATOM 1772 CD2 HIS A 150 -1.560 -4.950 -11.201 1.00 0.00 C ATOM 1773 CE1 HIS A 150 -2.854 -4.668 -12.947 1.00 0.00 C ATOM 1774 NE2 HIS A 150 -2.404 -5.567 -12.092 1.00 0.00 N ATOM 0 H HIS A 150 1.930 -3.980 -10.819 1.00 0.00 H new ATOM 0 HA HIS A 150 0.669 -1.936 -12.428 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -0.717 -2.655 -9.842 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -1.269 -1.586 -11.116 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -1.037 -5.422 -10.383 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -3.537 -4.857 -13.762 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -2.644 -6.558 -12.093 1.00 0.00 H new ATOM 1783 N THR A 151 1.283 -0.214 -10.590 1.00 0.00 N ATOM 1784 CA THR A 151 2.000 0.727 -9.746 1.00 0.00 C ATOM 1785 C THR A 151 1.125 1.916 -9.365 1.00 0.00 C ATOM 1786 O THR A 151 0.143 2.223 -10.039 1.00 0.00 O ATOM 1787 CB THR A 151 3.263 1.204 -10.453 1.00 0.00 C ATOM 1788 OG1 THR A 151 2.955 2.173 -11.439 1.00 0.00 O ATOM 1789 CG2 THR A 151 4.021 0.080 -11.128 1.00 0.00 C ATOM 0 H THR A 151 0.619 0.214 -11.235 1.00 0.00 H new ATOM 0 HA THR A 151 2.276 0.212 -8.826 1.00 0.00 H new ATOM 0 HB THR A 151 3.892 1.631 -9.672 1.00 0.00 H new ATOM 0 HG1 THR A 151 3.780 2.466 -11.879 1.00 0.00 H new ATOM 0 HG21 THR A 151 4.910 0.481 -11.614 1.00 0.00 H new ATOM 0 HG22 THR A 151 4.317 -0.658 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.382 -0.393 -11.874 1.00 0.00 H new ATOM 1797 N LEU A 152 1.492 2.571 -8.269 1.00 0.00 N ATOM 1798 CA LEU A 152 0.749 3.721 -7.771 1.00 0.00 C ATOM 1799 C LEU A 152 0.882 4.915 -8.704 1.00 0.00 C ATOM 1800 O LEU A 152 -0.088 5.628 -8.959 1.00 0.00 O ATOM 1801 CB LEU A 152 1.248 4.090 -6.375 1.00 0.00 C ATOM 1802 CG LEU A 152 0.317 3.703 -5.231 1.00 0.00 C ATOM 1803 CD1 LEU A 152 0.957 4.023 -3.890 1.00 0.00 C ATOM 1804 CD2 LEU A 152 -1.015 4.419 -5.375 1.00 0.00 C ATOM 0 H LEU A 152 2.305 2.322 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 152 -0.306 3.450 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 152 2.214 3.612 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 152 1.415 5.167 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 152 0.139 2.628 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 152 0.278 3.740 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 152 1.889 3.467 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.163 5.092 -3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -1.672 4.135 -4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.853 5.497 -5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -1.478 4.140 -6.322 1.00 0.00 H new