USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 829 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 92 GLN :FLIP amide:sc= -0.209 F(o=-2.6!,f=-0.34) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -0.128 K(o=-0.34,f=-3.6!) USER MOD Set 2.1: A 91 THR OG1 : rot -122:sc= 1.53 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.38 X(o=1.2,f=0.91) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 GLN : amide:sc= 0.581 K(o=0.58,f=-4.3!) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -1.29 K(o=-0.91,f=-2.1) USER MOD Set 4.2: A 109 SER OG : rot 101:sc= 0.373 USER MOD Set 5.1: A 19 TYR OH : rot -6:sc= 0.115 USER MOD Set 5.2: A 49 TYR OH : rot -45:sc= 0.085 USER MOD Single : A 10 GLN : amide:sc= -0.0201 K(o=-0.02,f=-0.63) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.781 K(o=-0.78,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= 1.3 K(o=1.3,f=-1.4) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 46:sc= 0.0349 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.775 K(o=0.78,f=-0.11) USER MOD Single : A 52 SER OG : rot -36:sc= 1.03 USER MOD Single : A 61 HIS : no HD1:sc=-0.000865 X(o=-0.00086,f=-0.095) USER MOD Single : A 65 GLN : amide:sc= -1.82! C(o=-1.8!,f=-4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.38) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -170:sc= -0.127 USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.6 F(o=-1.5,f=-0.6) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -16:sc= 0.0677 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -0.667 10.442 -8.048 1.00 0.00 N ATOM 67 CA GLU A 8 -0.985 10.897 -6.694 1.00 0.00 C ATOM 68 C GLU A 8 0.237 10.929 -5.779 1.00 0.00 C ATOM 69 O GLU A 8 0.119 11.203 -4.589 1.00 0.00 O ATOM 70 CB GLU A 8 -2.096 10.020 -6.096 1.00 0.00 C ATOM 71 CG GLU A 8 -3.406 10.067 -6.893 1.00 0.00 C ATOM 72 CD GLU A 8 -3.379 9.305 -8.222 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.909 8.144 -8.252 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.802 9.889 -9.247 1.00 0.00 O ATOM 0 HA GLU A 8 -1.337 11.926 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.747 8.989 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.290 10.341 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.206 9.661 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.656 11.109 -7.093 1.00 0.00 H new ATOM 81 N VAL A 9 1.410 10.657 -6.334 1.00 0.00 N ATOM 82 CA VAL A 9 2.657 10.373 -5.662 1.00 0.00 C ATOM 83 C VAL A 9 2.968 11.468 -4.669 1.00 0.00 C ATOM 84 O VAL A 9 3.316 11.178 -3.532 1.00 0.00 O ATOM 85 CB VAL A 9 3.772 10.254 -6.719 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.025 9.611 -6.120 1.00 0.00 C ATOM 87 CG2 VAL A 9 3.312 9.488 -7.976 1.00 0.00 C ATOM 0 H VAL A 9 1.515 10.629 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 9 2.583 9.434 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 9 4.017 11.268 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.798 9.538 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.389 10.223 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.782 8.614 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.134 9.432 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.005 8.480 -7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.471 10.010 -8.432 1.00 0.00 H new ATOM 97 N GLN A 10 2.868 12.715 -5.129 1.00 0.00 N ATOM 98 CA GLN A 10 3.324 13.870 -4.391 1.00 0.00 C ATOM 99 C GLN A 10 2.200 14.436 -3.506 1.00 0.00 C ATOM 100 O GLN A 10 2.434 15.383 -2.755 1.00 0.00 O ATOM 101 CB GLN A 10 3.852 14.921 -5.379 1.00 0.00 C ATOM 102 CG GLN A 10 4.830 14.386 -6.439 1.00 0.00 C ATOM 103 CD GLN A 10 6.118 13.789 -5.874 1.00 0.00 C ATOM 104 OE1 GLN A 10 6.689 14.284 -4.906 1.00 0.00 O ATOM 105 NE2 GLN A 10 6.601 12.711 -6.471 1.00 0.00 N ATOM 0 H GLN A 10 2.462 12.943 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 10 4.135 13.579 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.003 15.378 -5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.348 15.711 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.322 13.625 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.089 15.198 -7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.115 12.312 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.459 12.279 -6.128 1.00 0.00 H new ATOM 114 N LYS A 11 0.957 13.956 -3.654 1.00 0.00 N ATOM 115 CA LYS A 11 -0.154 14.356 -2.783 1.00 0.00 C ATOM 116 C LYS A 11 0.087 13.827 -1.366 1.00 0.00 C ATOM 117 O LYS A 11 0.832 12.859 -1.189 1.00 0.00 O ATOM 118 CB LYS A 11 -1.504 13.816 -3.300 1.00 0.00 C ATOM 119 CG LYS A 11 -2.054 14.538 -4.539 1.00 0.00 C ATOM 120 CD LYS A 11 -3.579 14.686 -4.427 1.00 0.00 C ATOM 121 CE LYS A 11 -4.245 15.093 -5.745 1.00 0.00 C ATOM 122 NZ LYS A 11 -4.385 13.956 -6.680 1.00 0.00 N ATOM 0 H LYS A 11 0.696 13.284 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.199 15.445 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.390 12.758 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.239 13.888 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.591 15.520 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.800 13.978 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.005 13.742 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.810 15.431 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.229 15.512 -5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.657 15.879 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.841 14.281 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.445 13.571 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.968 13.215 -6.241 1.00 0.00 H new ATOM 136 N PRO A 12 -0.609 14.380 -0.355 1.00 0.00 N ATOM 137 CA PRO A 12 -0.596 13.784 0.962 1.00 0.00 C ATOM 138 C PRO A 12 -1.179 12.376 0.926 1.00 0.00 C ATOM 139 O PRO A 12 -1.887 11.979 -0.003 1.00 0.00 O ATOM 140 CB PRO A 12 -1.420 14.708 1.853 1.00 0.00 C ATOM 141 CG PRO A 12 -2.332 15.463 0.895 1.00 0.00 C ATOM 142 CD PRO A 12 -1.516 15.521 -0.396 1.00 0.00 C ATOM 0 HA PRO A 12 0.420 13.681 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.997 14.141 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.781 15.392 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.279 14.944 0.749 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.568 16.460 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.166 15.471 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.962 16.457 -0.464 1.00 0.00 H new ATOM 150 N LEU A 13 -0.903 11.621 1.985 1.00 0.00 N ATOM 151 CA LEU A 13 -1.459 10.295 2.203 1.00 0.00 C ATOM 152 C LEU A 13 -2.975 10.375 2.376 1.00 0.00 C ATOM 153 O LEU A 13 -3.675 9.457 1.962 1.00 0.00 O ATOM 154 CB LEU A 13 -0.748 9.690 3.417 1.00 0.00 C ATOM 155 CG LEU A 13 -0.989 8.182 3.654 1.00 0.00 C ATOM 156 CD1 LEU A 13 0.225 7.594 4.371 1.00 0.00 C ATOM 157 CD2 LEU A 13 -2.178 7.881 4.553 1.00 0.00 C ATOM 0 H LEU A 13 -0.274 11.922 2.729 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.293 9.647 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.324 9.855 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.063 10.234 4.308 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.172 7.755 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.065 6.530 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.114 7.733 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.363 8.100 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.281 6.802 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.021 8.339 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.085 8.285 4.104 1.00 0.00 H new ATOM 169 N HIS A 14 -3.482 11.472 2.948 1.00 0.00 N ATOM 170 CA HIS A 14 -4.897 11.584 3.286 1.00 0.00 C ATOM 171 C HIS A 14 -5.787 11.990 2.096 1.00 0.00 C ATOM 172 O HIS A 14 -6.974 12.259 2.291 1.00 0.00 O ATOM 173 CB HIS A 14 -5.075 12.549 4.466 1.00 0.00 C ATOM 174 CG HIS A 14 -4.765 13.985 4.129 1.00 0.00 C ATOM 175 ND1 HIS A 14 -5.535 14.830 3.361 1.00 0.00 N ATOM 176 CD2 HIS A 14 -3.663 14.682 4.532 1.00 0.00 C ATOM 177 CE1 HIS A 14 -4.896 16.007 3.278 1.00 0.00 C ATOM 178 NE2 HIS A 14 -3.759 15.967 3.996 1.00 0.00 N ATOM 0 H HIS A 14 -2.928 12.295 3.186 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.234 10.588 3.573 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.102 12.483 4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.430 12.230 5.285 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.862 14.307 5.153 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.244 16.862 2.717 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.094 16.730 4.124 1.00 0.00 H new ATOM 186 N GLU A 15 -5.223 12.104 0.888 1.00 0.00 N ATOM 187 CA GLU A 15 -5.969 12.293 -0.359 1.00 0.00 C ATOM 188 C GLU A 15 -5.660 11.153 -1.338 1.00 0.00 C ATOM 189 O GLU A 15 -5.857 11.296 -2.548 1.00 0.00 O ATOM 190 CB GLU A 15 -5.667 13.674 -0.975 1.00 0.00 C ATOM 191 CG GLU A 15 -6.401 14.806 -0.250 1.00 0.00 C ATOM 192 CD GLU A 15 -6.309 16.144 -0.986 1.00 0.00 C ATOM 193 OE1 GLU A 15 -6.482 16.181 -2.228 1.00 0.00 O ATOM 194 OE2 GLU A 15 -6.098 17.189 -0.319 1.00 0.00 O ATOM 0 H GLU A 15 -4.213 12.066 0.748 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.036 12.265 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.593 13.859 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.955 13.672 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.450 14.534 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.985 14.919 0.751 1.00 0.00 H new ATOM 201 N GLN A 16 -5.097 10.041 -0.858 1.00 0.00 N ATOM 202 CA GLN A 16 -4.900 8.867 -1.692 1.00 0.00 C ATOM 203 C GLN A 16 -6.233 8.137 -1.878 1.00 0.00 C ATOM 204 O GLN A 16 -7.244 8.439 -1.244 1.00 0.00 O ATOM 205 CB GLN A 16 -3.828 7.954 -1.083 1.00 0.00 C ATOM 206 CG GLN A 16 -2.474 8.665 -0.935 1.00 0.00 C ATOM 207 CD GLN A 16 -1.837 9.087 -2.254 1.00 0.00 C ATOM 208 OE1 GLN A 16 -1.949 8.394 -3.255 1.00 0.00 O ATOM 209 NE2 GLN A 16 -1.147 10.217 -2.265 1.00 0.00 N ATOM 0 H GLN A 16 -4.772 9.935 0.103 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.544 9.173 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.162 7.606 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.706 7.071 -1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.608 9.549 -0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.786 8.004 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.070 10.776 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.693 10.529 -3.123 1.00 0.00 H new ATOM 218 N LEU A 17 -6.211 7.151 -2.768 1.00 0.00 N ATOM 219 CA LEU A 17 -7.358 6.346 -3.160 1.00 0.00 C ATOM 220 C LEU A 17 -7.250 4.985 -2.487 1.00 0.00 C ATOM 221 O LEU A 17 -8.211 4.536 -1.871 1.00 0.00 O ATOM 222 CB LEU A 17 -7.467 6.216 -4.693 1.00 0.00 C ATOM 223 CG LEU A 17 -6.164 6.104 -5.505 1.00 0.00 C ATOM 224 CD1 LEU A 17 -6.426 5.339 -6.804 1.00 0.00 C ATOM 225 CD2 LEU A 17 -5.618 7.496 -5.829 1.00 0.00 C ATOM 0 H LEU A 17 -5.357 6.881 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.273 6.839 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.072 5.336 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.017 7.081 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.427 5.565 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.500 5.263 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.791 4.339 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.173 5.869 -7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.697 7.401 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.354 8.049 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.414 8.032 -4.902 1.00 0.00 H new ATOM 237 N TRP A 18 -6.064 4.372 -2.558 1.00 0.00 N ATOM 238 CA TRP A 18 -5.721 3.118 -1.901 1.00 0.00 C ATOM 239 C TRP A 18 -5.662 3.237 -0.377 1.00 0.00 C ATOM 240 O TRP A 18 -5.516 2.223 0.309 1.00 0.00 O ATOM 241 CB TRP A 18 -4.395 2.617 -2.478 1.00 0.00 C ATOM 242 CG TRP A 18 -3.299 3.636 -2.605 1.00 0.00 C ATOM 243 CD1 TRP A 18 -2.862 4.196 -3.759 1.00 0.00 C ATOM 244 CD2 TRP A 18 -2.469 4.211 -1.549 1.00 0.00 C ATOM 245 NE1 TRP A 18 -1.833 5.065 -3.486 1.00 0.00 N ATOM 246 CE2 TRP A 18 -1.527 5.088 -2.152 1.00 0.00 C ATOM 247 CE3 TRP A 18 -2.381 4.066 -0.148 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -0.542 5.752 -1.423 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -1.409 4.754 0.604 1.00 0.00 C ATOM 250 CH2 TRP A 18 -0.477 5.589 -0.031 1.00 0.00 C ATOM 0 H TRP A 18 -5.289 4.756 -3.098 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.512 2.395 -2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.034 1.803 -1.850 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.588 2.197 -3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.261 3.991 -4.742 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.355 5.625 -4.192 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.075 3.412 0.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.169 6.390 -1.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.381 4.638 1.677 1.00 0.00 H new ATOM 0 HH2 TRP A 18 0.281 6.100 0.545 1.00 0.00 H new ATOM 261 N TYR A 19 -5.713 4.446 0.183 1.00 0.00 N ATOM 262 CA TYR A 19 -5.768 4.633 1.625 1.00 0.00 C ATOM 263 C TYR A 19 -7.221 4.497 2.084 1.00 0.00 C ATOM 264 O TYR A 19 -7.976 5.467 2.059 1.00 0.00 O ATOM 265 CB TYR A 19 -5.154 5.976 2.019 1.00 0.00 C ATOM 266 CG TYR A 19 -5.165 6.241 3.514 1.00 0.00 C ATOM 267 CD1 TYR A 19 -4.703 5.270 4.428 1.00 0.00 C ATOM 268 CD2 TYR A 19 -5.610 7.488 3.989 1.00 0.00 C ATOM 269 CE1 TYR A 19 -4.633 5.569 5.800 1.00 0.00 C ATOM 270 CE2 TYR A 19 -5.519 7.801 5.354 1.00 0.00 C ATOM 271 CZ TYR A 19 -4.995 6.856 6.259 1.00 0.00 C ATOM 272 OH TYR A 19 -4.799 7.209 7.556 1.00 0.00 O ATOM 0 H TYR A 19 -5.717 5.316 -0.350 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.177 3.867 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.125 6.013 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.697 6.775 1.514 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.403 4.295 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.024 8.209 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.303 4.817 6.502 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.850 8.765 5.711 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.489 6.430 8.064 1.00 0.00 H new ATOM 282 N HIS A 20 -7.633 3.291 2.489 1.00 0.00 N ATOM 283 CA HIS A 20 -8.981 3.055 3.019 1.00 0.00 C ATOM 284 C HIS A 20 -9.103 3.514 4.490 1.00 0.00 C ATOM 285 O HIS A 20 -10.171 3.395 5.087 1.00 0.00 O ATOM 286 CB HIS A 20 -9.401 1.585 2.844 1.00 0.00 C ATOM 287 CG HIS A 20 -9.709 1.132 1.440 1.00 0.00 C ATOM 288 ND1 HIS A 20 -10.863 0.491 1.055 1.00 0.00 N ATOM 289 CD2 HIS A 20 -8.906 1.229 0.336 1.00 0.00 C ATOM 290 CE1 HIS A 20 -10.771 0.244 -0.261 1.00 0.00 C ATOM 291 NE2 HIS A 20 -9.578 0.637 -0.735 1.00 0.00 N ATOM 0 H HIS A 20 -7.047 2.457 2.459 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.673 3.663 2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.604 0.954 3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.282 1.407 3.460 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.647 0.247 1.660 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.927 1.683 0.300 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -11.550 -0.209 -0.857 1.00 0.00 H new ATOM 299 N GLY A 21 -8.049 4.071 5.098 1.00 0.00 N ATOM 300 CA GLY A 21 -8.018 4.587 6.447 1.00 0.00 C ATOM 301 C GLY A 21 -7.692 3.431 7.367 1.00 0.00 C ATOM 302 O GLY A 21 -6.634 2.823 7.261 1.00 0.00 O ATOM 0 H GLY A 21 -7.151 4.173 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.270 5.374 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.979 5.028 6.711 1.00 0.00 H new ATOM 306 N ALA A 22 -8.629 3.090 8.231 1.00 0.00 N ATOM 307 CA ALA A 22 -8.583 2.018 9.205 1.00 0.00 C ATOM 308 C ALA A 22 -9.582 0.940 8.808 1.00 0.00 C ATOM 309 O ALA A 22 -10.787 1.184 8.833 1.00 0.00 O ATOM 310 CB ALA A 22 -8.878 2.593 10.593 1.00 0.00 C ATOM 0 H ALA A 22 -9.513 3.597 8.272 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.594 1.561 9.235 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.846 1.793 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.131 3.347 10.841 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.868 3.049 10.595 1.00 0.00 H new ATOM 316 N ILE A 23 -9.095 -0.245 8.433 1.00 0.00 N ATOM 317 CA ILE A 23 -9.931 -1.380 8.042 1.00 0.00 C ATOM 318 C ILE A 23 -9.280 -2.666 8.599 1.00 0.00 C ATOM 319 O ILE A 23 -8.046 -2.720 8.693 1.00 0.00 O ATOM 320 CB ILE A 23 -10.207 -1.395 6.499 1.00 0.00 C ATOM 321 CG1 ILE A 23 -9.810 -2.725 5.818 1.00 0.00 C ATOM 322 CG2 ILE A 23 -9.594 -0.217 5.725 1.00 0.00 C ATOM 323 CD1 ILE A 23 -10.269 -2.899 4.379 1.00 0.00 C ATOM 0 H ILE A 23 -8.096 -0.445 8.392 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.927 -1.300 8.477 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.290 -1.285 6.447 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.724 -2.815 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.213 -3.547 6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.837 -0.311 4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.999 0.720 6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.511 -0.223 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.934 -3.866 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.357 -2.850 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.845 -2.106 3.763 1.00 0.00 H new ATOM 335 N PRO A 24 -10.071 -3.705 8.937 1.00 0.00 N ATOM 336 CA PRO A 24 -9.587 -5.003 9.410 1.00 0.00 C ATOM 337 C PRO A 24 -8.887 -5.822 8.319 1.00 0.00 C ATOM 338 O PRO A 24 -8.776 -5.394 7.173 1.00 0.00 O ATOM 339 CB PRO A 24 -10.842 -5.732 9.903 1.00 0.00 C ATOM 340 CG PRO A 24 -11.932 -5.173 9.009 1.00 0.00 C ATOM 341 CD PRO A 24 -11.528 -3.715 8.856 1.00 0.00 C ATOM 0 HA PRO A 24 -8.833 -4.869 10.186 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.749 -6.813 9.798 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.039 -5.530 10.956 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.969 -5.685 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.918 -5.274 9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.871 -3.310 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.969 -3.101 9.641 1.00 0.00 H new ATOM 349 N ARG A 25 -8.440 -7.042 8.652 1.00 0.00 N ATOM 350 CA ARG A 25 -7.961 -7.974 7.626 1.00 0.00 C ATOM 351 C ARG A 25 -9.096 -8.573 6.808 1.00 0.00 C ATOM 352 O ARG A 25 -8.933 -8.694 5.601 1.00 0.00 O ATOM 353 CB ARG A 25 -7.047 -9.067 8.215 1.00 0.00 C ATOM 354 CG ARG A 25 -7.748 -10.063 9.142 1.00 0.00 C ATOM 355 CD ARG A 25 -6.779 -11.132 9.643 1.00 0.00 C ATOM 356 NE ARG A 25 -7.493 -12.141 10.427 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.025 -13.322 10.835 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.751 -13.653 10.656 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.851 -14.182 11.415 1.00 0.00 N ATOM 0 H ARG A 25 -8.401 -7.400 9.606 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.355 -7.384 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.588 -9.618 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.239 -8.586 8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.178 -9.532 9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.574 -10.537 8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.281 -11.605 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.002 -10.671 10.253 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.453 -11.917 10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.114 -13.000 10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.410 -14.560 10.974 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.833 -13.938 11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.505 -15.088 11.731 1.00 0.00 H new ATOM 373 N ALA A 26 -10.218 -8.929 7.437 1.00 0.00 N ATOM 374 CA ALA A 26 -11.228 -9.762 6.791 1.00 0.00 C ATOM 375 C ALA A 26 -11.839 -9.070 5.568 1.00 0.00 C ATOM 376 O ALA A 26 -12.131 -9.719 4.562 1.00 0.00 O ATOM 377 CB ALA A 26 -12.291 -10.106 7.833 1.00 0.00 C ATOM 0 H ALA A 26 -10.448 -8.653 8.392 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.766 -10.676 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.060 -10.729 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.829 -10.647 8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.743 -9.188 8.208 1.00 0.00 H new ATOM 383 N GLU A 27 -11.975 -7.747 5.651 1.00 0.00 N ATOM 384 CA GLU A 27 -12.559 -6.894 4.622 1.00 0.00 C ATOM 385 C GLU A 27 -11.718 -6.904 3.342 1.00 0.00 C ATOM 386 O GLU A 27 -12.261 -6.864 2.243 1.00 0.00 O ATOM 387 CB GLU A 27 -12.641 -5.476 5.202 1.00 0.00 C ATOM 388 CG GLU A 27 -13.791 -5.353 6.201 1.00 0.00 C ATOM 389 CD GLU A 27 -15.173 -5.371 5.563 1.00 0.00 C ATOM 390 OE1 GLU A 27 -15.577 -4.334 4.989 1.00 0.00 O ATOM 391 OE2 GLU A 27 -15.892 -6.374 5.757 1.00 0.00 O ATOM 0 H GLU A 27 -11.669 -7.222 6.470 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.548 -7.261 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.701 -5.226 5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.779 -4.757 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.723 -6.170 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.673 -4.426 6.762 1.00 0.00 H new ATOM 398 N VAL A 28 -10.392 -6.977 3.487 1.00 0.00 N ATOM 399 CA VAL A 28 -9.405 -6.849 2.427 1.00 0.00 C ATOM 400 C VAL A 28 -9.784 -7.692 1.219 1.00 0.00 C ATOM 401 O VAL A 28 -9.906 -7.145 0.131 1.00 0.00 O ATOM 402 CB VAL A 28 -8.006 -7.200 2.971 1.00 0.00 C ATOM 403 CG1 VAL A 28 -6.942 -7.253 1.873 1.00 0.00 C ATOM 404 CG2 VAL A 28 -7.564 -6.178 4.028 1.00 0.00 C ATOM 0 H VAL A 28 -9.962 -7.136 4.398 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.381 -5.814 2.085 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.094 -8.193 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.977 -7.504 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.214 -8.011 1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.875 -6.281 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.574 -6.444 4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.529 -5.184 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.274 -6.179 4.855 1.00 0.00 H new ATOM 414 N ALA A 29 -9.919 -9.011 1.365 1.00 0.00 N ATOM 415 CA ALA A 29 -10.090 -9.876 0.191 1.00 0.00 C ATOM 416 C ALA A 29 -11.423 -9.659 -0.544 1.00 0.00 C ATOM 417 O ALA A 29 -11.631 -10.190 -1.628 1.00 0.00 O ATOM 418 CB ALA A 29 -10.000 -11.336 0.585 1.00 0.00 C ATOM 0 H ALA A 29 -9.914 -9.498 2.261 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.283 -9.603 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.129 -11.960 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.024 -11.534 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.782 -11.566 1.309 1.00 0.00 H new ATOM 424 N GLU A 30 -12.350 -8.931 0.062 1.00 0.00 N ATOM 425 CA GLU A 30 -13.584 -8.480 -0.560 1.00 0.00 C ATOM 426 C GLU A 30 -13.401 -7.154 -1.327 1.00 0.00 C ATOM 427 O GLU A 30 -14.255 -6.797 -2.141 1.00 0.00 O ATOM 428 CB GLU A 30 -14.676 -8.453 0.523 1.00 0.00 C ATOM 429 CG GLU A 30 -15.683 -7.305 0.456 1.00 0.00 C ATOM 430 CD GLU A 30 -16.787 -7.423 1.504 1.00 0.00 C ATOM 431 OE1 GLU A 30 -16.764 -8.347 2.350 1.00 0.00 O ATOM 432 OE2 GLU A 30 -17.740 -6.617 1.425 1.00 0.00 O ATOM 0 H GLU A 30 -12.260 -8.629 1.032 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.900 -9.175 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.227 -9.392 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.188 -8.421 1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.158 -6.359 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.132 -7.280 -0.537 1.00 0.00 H new ATOM 439 N LEU A 31 -12.302 -6.432 -1.109 1.00 0.00 N ATOM 440 CA LEU A 31 -11.914 -5.233 -1.846 1.00 0.00 C ATOM 441 C LEU A 31 -10.975 -5.622 -2.980 1.00 0.00 C ATOM 442 O LEU A 31 -11.106 -5.109 -4.094 1.00 0.00 O ATOM 443 CB LEU A 31 -11.181 -4.240 -0.927 1.00 0.00 C ATOM 444 CG LEU A 31 -12.012 -3.841 0.313 1.00 0.00 C ATOM 445 CD1 LEU A 31 -11.140 -3.108 1.306 1.00 0.00 C ATOM 446 CD2 LEU A 31 -13.162 -2.899 -0.046 1.00 0.00 C ATOM 0 H LEU A 31 -11.630 -6.679 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.816 -4.762 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.240 -4.682 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.932 -3.344 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.410 -4.766 0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.734 -2.831 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.320 -3.755 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.736 -2.209 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.719 -2.645 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.761 -1.989 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.827 -3.390 -0.757 1.00 0.00 H new ATOM 458 N LEU A 32 -9.987 -6.468 -2.673 1.00 0.00 N ATOM 459 CA LEU A 32 -8.971 -6.897 -3.612 1.00 0.00 C ATOM 460 C LEU A 32 -9.551 -8.017 -4.472 1.00 0.00 C ATOM 461 O LEU A 32 -10.138 -8.965 -3.952 1.00 0.00 O ATOM 462 CB LEU A 32 -7.698 -7.401 -2.906 1.00 0.00 C ATOM 463 CG LEU A 32 -7.171 -6.629 -1.679 1.00 0.00 C ATOM 464 CD1 LEU A 32 -5.831 -7.197 -1.235 1.00 0.00 C ATOM 465 CD2 LEU A 32 -7.000 -5.131 -1.891 1.00 0.00 C ATOM 0 H LEU A 32 -9.878 -6.876 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.685 -6.040 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.879 -8.430 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.899 -7.428 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.941 -6.759 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.470 -6.643 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.951 -8.248 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.111 -7.108 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.626 -4.674 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.290 -4.957 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.962 -4.688 -2.151 1.00 0.00 H new ATOM 477 N VAL A 33 -9.316 -7.947 -5.775 1.00 0.00 N ATOM 478 CA VAL A 33 -9.819 -8.864 -6.785 1.00 0.00 C ATOM 479 C VAL A 33 -8.659 -9.329 -7.661 1.00 0.00 C ATOM 480 O VAL A 33 -8.529 -10.524 -7.928 1.00 0.00 O ATOM 481 CB VAL A 33 -10.906 -8.131 -7.606 1.00 0.00 C ATOM 482 CG1 VAL A 33 -11.400 -8.961 -8.795 1.00 0.00 C ATOM 483 CG2 VAL A 33 -12.111 -7.751 -6.734 1.00 0.00 C ATOM 0 H VAL A 33 -8.738 -7.208 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.265 -9.749 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.430 -7.227 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.162 -8.401 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.564 -9.176 -9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.826 -9.897 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.854 -7.238 -7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.551 -8.653 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.785 -7.092 -5.929 1.00 0.00 H new ATOM 493 N HIS A 34 -7.826 -8.402 -8.128 1.00 0.00 N ATOM 494 CA HIS A 34 -6.729 -8.706 -9.033 1.00 0.00 C ATOM 495 C HIS A 34 -5.478 -9.042 -8.236 1.00 0.00 C ATOM 496 O HIS A 34 -5.231 -8.445 -7.185 1.00 0.00 O ATOM 497 CB HIS A 34 -6.487 -7.504 -9.948 1.00 0.00 C ATOM 498 CG HIS A 34 -7.700 -7.207 -10.784 1.00 0.00 C ATOM 499 ND1 HIS A 34 -8.133 -7.964 -11.847 1.00 0.00 N ATOM 500 CD2 HIS A 34 -8.644 -6.246 -10.537 1.00 0.00 C ATOM 501 CE1 HIS A 34 -9.315 -7.469 -12.242 1.00 0.00 C ATOM 502 NE2 HIS A 34 -9.650 -6.397 -11.499 1.00 0.00 N ATOM 0 H HIS A 34 -7.897 -7.414 -7.885 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.982 -9.571 -9.646 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.233 -6.631 -9.347 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.634 -7.703 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.617 -5.509 -9.748 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.915 -7.874 -13.044 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.476 -5.809 -11.615 1.00 0.00 H new ATOM 510 N SER A 35 -4.648 -9.944 -8.759 1.00 0.00 N ATOM 511 CA SER A 35 -3.321 -10.209 -8.225 1.00 0.00 C ATOM 512 C SER A 35 -2.438 -8.974 -8.445 1.00 0.00 C ATOM 513 O SER A 35 -1.770 -8.835 -9.473 1.00 0.00 O ATOM 514 CB SER A 35 -2.729 -11.494 -8.820 1.00 0.00 C ATOM 515 OG SER A 35 -2.798 -11.551 -10.234 1.00 0.00 O ATOM 0 H SER A 35 -4.884 -10.514 -9.572 1.00 0.00 H new ATOM 0 HA SER A 35 -3.380 -10.388 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.687 -11.580 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.256 -12.353 -8.404 1.00 0.00 H new ATOM 0 HG SER A 35 -2.498 -10.698 -10.611 1.00 0.00 H new ATOM 521 N GLY A 36 -2.467 -8.044 -7.498 1.00 0.00 N ATOM 522 CA GLY A 36 -1.883 -6.726 -7.651 1.00 0.00 C ATOM 523 C GLY A 36 -2.648 -5.625 -6.950 1.00 0.00 C ATOM 524 O GLY A 36 -2.045 -4.582 -6.694 1.00 0.00 O ATOM 0 H GLY A 36 -2.905 -8.191 -6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.863 -6.746 -7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.819 -6.490 -8.713 1.00 0.00 H new ATOM 528 N ASP A 37 -3.937 -5.844 -6.679 1.00 0.00 N ATOM 529 CA ASP A 37 -4.795 -4.943 -5.920 1.00 0.00 C ATOM 530 C ASP A 37 -4.190 -4.807 -4.534 1.00 0.00 C ATOM 531 O ASP A 37 -4.034 -5.817 -3.843 1.00 0.00 O ATOM 532 CB ASP A 37 -6.237 -5.480 -5.798 1.00 0.00 C ATOM 533 CG ASP A 37 -7.157 -5.152 -6.968 1.00 0.00 C ATOM 534 OD1 ASP A 37 -6.847 -4.245 -7.758 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.257 -5.743 -7.023 1.00 0.00 O ATOM 0 H ASP A 37 -4.424 -6.683 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.853 -3.984 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.195 -6.563 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.680 -5.080 -4.886 1.00 0.00 H new ATOM 540 N PHE A 38 -3.878 -3.581 -4.110 1.00 0.00 N ATOM 541 CA PHE A 38 -3.479 -3.266 -2.746 1.00 0.00 C ATOM 542 C PHE A 38 -4.321 -2.129 -2.186 1.00 0.00 C ATOM 543 O PHE A 38 -4.884 -1.314 -2.923 1.00 0.00 O ATOM 544 CB PHE A 38 -1.980 -2.917 -2.661 1.00 0.00 C ATOM 545 CG PHE A 38 -1.573 -1.701 -3.467 1.00 0.00 C ATOM 546 CD1 PHE A 38 -1.652 -0.405 -2.919 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.158 -1.868 -4.796 1.00 0.00 C ATOM 548 CE1 PHE A 38 -1.324 0.713 -3.706 1.00 0.00 C ATOM 549 CE2 PHE A 38 -0.901 -0.747 -5.594 1.00 0.00 C ATOM 550 CZ PHE A 38 -0.960 0.545 -5.050 1.00 0.00 C ATOM 0 H PHE A 38 -3.898 -2.765 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.650 -4.157 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.717 -2.750 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.400 -3.775 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.965 -0.271 -1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.037 -2.861 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.352 1.703 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.655 -0.878 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.727 1.404 -5.662 1.00 0.00 H new ATOM 560 N LEU A 39 -4.336 -2.056 -0.857 1.00 0.00 N ATOM 561 CA LEU A 39 -4.805 -0.940 -0.059 1.00 0.00 C ATOM 562 C LEU A 39 -3.870 -0.786 1.138 1.00 0.00 C ATOM 563 O LEU A 39 -3.177 -1.736 1.524 1.00 0.00 O ATOM 564 CB LEU A 39 -6.269 -1.156 0.351 1.00 0.00 C ATOM 565 CG LEU A 39 -6.516 -2.210 1.454 1.00 0.00 C ATOM 566 CD1 LEU A 39 -6.751 -1.576 2.812 1.00 0.00 C ATOM 567 CD2 LEU A 39 -7.771 -3.006 1.123 1.00 0.00 C ATOM 0 H LEU A 39 -3.999 -2.826 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.785 -0.013 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.675 -0.203 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.834 -1.447 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.625 -2.837 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.920 -2.357 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.878 -0.989 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.625 -0.926 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.946 -3.750 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.625 -2.332 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.641 -3.507 0.164 1.00 0.00 H new ATOM 579 N VAL A 40 -3.864 0.401 1.733 1.00 0.00 N ATOM 580 CA VAL A 40 -3.187 0.695 2.984 1.00 0.00 C ATOM 581 C VAL A 40 -4.282 0.944 4.005 1.00 0.00 C ATOM 582 O VAL A 40 -5.246 1.667 3.735 1.00 0.00 O ATOM 583 CB VAL A 40 -2.209 1.872 2.834 1.00 0.00 C ATOM 584 CG1 VAL A 40 -1.538 2.237 4.166 1.00 0.00 C ATOM 585 CG2 VAL A 40 -1.116 1.493 1.825 1.00 0.00 C ATOM 0 H VAL A 40 -4.347 1.210 1.343 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.558 -0.134 3.310 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.780 2.735 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.856 3.073 4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.300 2.519 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.981 1.378 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.419 2.324 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.579 0.614 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.572 1.271 0.860 1.00 0.00 H new ATOM 595 N ARG A 41 -4.151 0.277 5.148 1.00 0.00 N ATOM 596 CA ARG A 41 -5.113 0.298 6.233 1.00 0.00 C ATOM 597 C ARG A 41 -4.372 0.511 7.539 1.00 0.00 C ATOM 598 O ARG A 41 -3.224 0.103 7.653 1.00 0.00 O ATOM 599 CB ARG A 41 -5.896 -1.017 6.270 1.00 0.00 C ATOM 600 CG ARG A 41 -5.035 -2.242 6.599 1.00 0.00 C ATOM 601 CD ARG A 41 -5.800 -3.504 6.176 1.00 0.00 C ATOM 602 NE ARG A 41 -5.239 -4.746 6.719 1.00 0.00 N ATOM 603 CZ ARG A 41 -5.286 -5.122 8.002 1.00 0.00 C ATOM 604 NH1 ARG A 41 -5.799 -4.351 8.955 1.00 0.00 N ATOM 605 NH2 ARG A 41 -4.801 -6.304 8.350 1.00 0.00 N ATOM 0 H ARG A 41 -3.342 -0.312 5.346 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.823 1.111 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.691 -0.934 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.375 -1.171 5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.080 -2.185 6.076 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.813 -2.273 7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.837 -3.414 6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.808 -3.565 5.088 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.775 -5.375 6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.177 -3.433 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.815 -4.677 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.397 -6.918 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.832 -6.601 9.325 1.00 0.00 H new ATOM 619 N GLU A 42 -5.037 1.005 8.565 1.00 0.00 N ATOM 620 CA GLU A 42 -4.513 1.056 9.921 1.00 0.00 C ATOM 621 C GLU A 42 -4.709 -0.322 10.572 1.00 0.00 C ATOM 622 O GLU A 42 -5.712 -1.009 10.329 1.00 0.00 O ATOM 623 CB GLU A 42 -5.169 2.228 10.672 1.00 0.00 C ATOM 624 CG GLU A 42 -4.518 2.519 12.042 1.00 0.00 C ATOM 625 CD GLU A 42 -5.501 3.022 13.121 1.00 0.00 C ATOM 626 OE1 GLU A 42 -6.637 2.502 13.252 1.00 0.00 O ATOM 627 OE2 GLU A 42 -5.191 4.009 13.835 1.00 0.00 O ATOM 0 H GLU A 42 -5.977 1.391 8.480 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.442 1.256 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.112 3.124 10.053 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.227 2.009 10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.036 1.610 12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.733 3.264 11.907 1.00 0.00 H new ATOM 634 N SER A 43 -3.736 -0.741 11.384 1.00 0.00 N ATOM 635 CA SER A 43 -3.802 -1.891 12.278 1.00 0.00 C ATOM 636 C SER A 43 -4.886 -1.649 13.342 1.00 0.00 C ATOM 637 O SER A 43 -5.395 -0.538 13.472 1.00 0.00 O ATOM 638 CB SER A 43 -2.417 -2.077 12.920 1.00 0.00 C ATOM 639 OG SER A 43 -2.176 -3.443 13.219 1.00 0.00 O ATOM 0 H SER A 43 -2.837 -0.261 11.436 1.00 0.00 H new ATOM 0 HA SER A 43 -4.067 -2.797 11.733 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.646 -1.707 12.244 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.352 -1.484 13.832 1.00 0.00 H new ATOM 0 HG SER A 43 -1.289 -3.537 13.625 1.00 0.00 H new ATOM 645 N GLN A 44 -5.274 -2.665 14.117 1.00 0.00 N ATOM 646 CA GLN A 44 -6.385 -2.565 15.070 1.00 0.00 C ATOM 647 C GLN A 44 -6.013 -1.717 16.297 1.00 0.00 C ATOM 648 O GLN A 44 -5.675 -2.251 17.360 1.00 0.00 O ATOM 649 CB GLN A 44 -6.958 -3.948 15.442 1.00 0.00 C ATOM 650 CG GLN A 44 -5.966 -5.062 15.818 1.00 0.00 C ATOM 651 CD GLN A 44 -5.608 -5.897 14.594 1.00 0.00 C ATOM 652 OE1 GLN A 44 -4.851 -5.459 13.732 1.00 0.00 O ATOM 653 NE2 GLN A 44 -6.189 -7.076 14.446 1.00 0.00 N ATOM 0 H GLN A 44 -4.827 -3.582 14.102 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.193 -2.033 14.568 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.641 -3.812 16.280 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.553 -4.301 14.600 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.063 -4.624 16.243 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.402 -5.701 16.586 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.816 -7.430 15.169 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.010 -7.631 13.609 1.00 0.00 H new ATOM 662 N GLY A 45 -6.125 -0.394 16.178 1.00 0.00 N ATOM 663 CA GLY A 45 -5.986 0.547 17.281 1.00 0.00 C ATOM 664 C GLY A 45 -4.533 0.846 17.642 1.00 0.00 C ATOM 665 O GLY A 45 -4.261 1.340 18.739 1.00 0.00 O ATOM 0 H GLY A 45 -6.320 0.061 15.286 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.487 1.479 17.019 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.496 0.146 18.157 1.00 0.00 H new ATOM 669 N LYS A 46 -3.586 0.500 16.774 1.00 0.00 N ATOM 670 CA LYS A 46 -2.261 1.103 16.761 1.00 0.00 C ATOM 671 C LYS A 46 -2.320 2.155 15.670 1.00 0.00 C ATOM 672 O LYS A 46 -2.911 1.888 14.629 1.00 0.00 O ATOM 673 CB LYS A 46 -1.174 0.063 16.437 1.00 0.00 C ATOM 674 CG LYS A 46 -1.149 -1.164 17.360 1.00 0.00 C ATOM 675 CD LYS A 46 -0.801 -0.843 18.820 1.00 0.00 C ATOM 676 CE LYS A 46 -0.739 -2.147 19.630 1.00 0.00 C ATOM 677 NZ LYS A 46 -0.316 -1.920 21.028 1.00 0.00 N ATOM 0 H LYS A 46 -3.720 -0.212 16.056 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.005 1.522 17.734 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.313 -0.277 15.411 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.201 0.552 16.482 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.125 -1.649 17.328 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.424 -1.881 16.974 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.156 -0.325 18.871 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.549 -0.174 19.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.719 -2.624 19.622 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.045 -2.837 19.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.289 -2.828 21.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.631 -1.489 21.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.992 -1.283 21.496 1.00 0.00 H new ATOM 691 N GLN A 47 -1.681 3.301 15.876 1.00 0.00 N ATOM 692 CA GLN A 47 -1.238 4.173 14.804 1.00 0.00 C ATOM 693 C GLN A 47 -0.041 3.460 14.185 1.00 0.00 C ATOM 694 O GLN A 47 1.119 3.809 14.413 1.00 0.00 O ATOM 695 CB GLN A 47 -0.907 5.576 15.347 1.00 0.00 C ATOM 696 CG GLN A 47 -2.186 6.403 15.535 1.00 0.00 C ATOM 697 CD GLN A 47 -2.688 6.963 14.202 1.00 0.00 C ATOM 698 OE1 GLN A 47 -2.145 7.936 13.685 1.00 0.00 O ATOM 699 NE2 GLN A 47 -3.695 6.366 13.590 1.00 0.00 N ATOM 0 H GLN A 47 -1.455 3.652 16.807 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.004 4.347 14.048 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.382 5.488 16.298 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.235 6.088 14.658 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.960 5.782 15.985 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.993 7.223 16.227 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.146 5.558 14.019 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.022 6.713 12.688 1.00 0.00 H new ATOM 708 N GLU A 48 -0.349 2.400 13.456 1.00 0.00 N ATOM 709 CA GLU A 48 0.532 1.685 12.565 1.00 0.00 C ATOM 710 C GLU A 48 -0.313 1.327 11.346 1.00 0.00 C ATOM 711 O GLU A 48 -1.505 1.037 11.494 1.00 0.00 O ATOM 712 CB GLU A 48 1.028 0.432 13.294 1.00 0.00 C ATOM 713 CG GLU A 48 1.804 -0.499 12.372 1.00 0.00 C ATOM 714 CD GLU A 48 3.097 0.148 11.867 1.00 0.00 C ATOM 715 OE1 GLU A 48 3.056 0.954 10.916 1.00 0.00 O ATOM 716 OE2 GLU A 48 4.157 -0.114 12.492 1.00 0.00 O ATOM 0 H GLU A 48 -1.285 1.994 13.477 1.00 0.00 H new ATOM 0 HA GLU A 48 1.404 2.263 12.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.664 0.727 14.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.177 -0.103 13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.042 -1.421 12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.179 -0.773 11.522 1.00 0.00 H new ATOM 723 N TYR A 49 0.289 1.323 10.159 1.00 0.00 N ATOM 724 CA TYR A 49 -0.390 0.939 8.936 1.00 0.00 C ATOM 725 C TYR A 49 0.029 -0.465 8.500 1.00 0.00 C ATOM 726 O TYR A 49 1.067 -1.005 8.880 1.00 0.00 O ATOM 727 CB TYR A 49 -0.156 1.979 7.837 1.00 0.00 C ATOM 728 CG TYR A 49 -0.654 3.375 8.129 1.00 0.00 C ATOM 729 CD1 TYR A 49 -2.008 3.584 8.445 1.00 0.00 C ATOM 730 CD2 TYR A 49 0.235 4.464 8.043 1.00 0.00 C ATOM 731 CE1 TYR A 49 -2.452 4.880 8.775 1.00 0.00 C ATOM 732 CE2 TYR A 49 -0.221 5.769 8.294 1.00 0.00 C ATOM 733 CZ TYR A 49 -1.557 5.977 8.703 1.00 0.00 C ATOM 734 OH TYR A 49 -1.967 7.232 9.033 1.00 0.00 O ATOM 0 H TYR A 49 1.265 1.588 10.024 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.463 0.908 9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.914 2.031 7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.636 1.627 6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.703 2.757 8.435 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.270 4.296 7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.475 5.038 9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.447 6.609 8.175 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.837 7.411 8.620 1.00 0.00 H new ATOM 744 N VAL A 50 -0.787 -1.062 7.648 1.00 0.00 N ATOM 745 CA VAL A 50 -0.658 -2.375 7.066 1.00 0.00 C ATOM 746 C VAL A 50 -0.903 -2.179 5.577 1.00 0.00 C ATOM 747 O VAL A 50 -1.865 -1.537 5.158 1.00 0.00 O ATOM 748 CB VAL A 50 -1.708 -3.329 7.667 1.00 0.00 C ATOM 749 CG1 VAL A 50 -1.717 -4.697 6.958 1.00 0.00 C ATOM 750 CG2 VAL A 50 -1.557 -3.587 9.164 1.00 0.00 C ATOM 0 H VAL A 50 -1.631 -0.592 7.321 1.00 0.00 H new ATOM 0 HA VAL A 50 0.320 -2.816 7.260 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.647 -2.798 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.472 -5.338 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.948 -4.558 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.737 -5.164 7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.340 -4.269 9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.581 -4.031 9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.642 -2.645 9.706 1.00 0.00 H new ATOM 760 N LEU A 51 -0.021 -2.756 4.782 1.00 0.00 N ATOM 761 CA LEU A 51 -0.155 -2.961 3.367 1.00 0.00 C ATOM 762 C LEU A 51 -0.815 -4.307 3.168 1.00 0.00 C ATOM 763 O LEU A 51 -0.254 -5.348 3.526 1.00 0.00 O ATOM 764 CB LEU A 51 1.250 -2.975 2.769 1.00 0.00 C ATOM 765 CG LEU A 51 1.306 -3.155 1.252 1.00 0.00 C ATOM 766 CD1 LEU A 51 0.326 -2.247 0.509 1.00 0.00 C ATOM 767 CD2 LEU A 51 2.734 -2.799 0.844 1.00 0.00 C ATOM 0 H LEU A 51 0.864 -3.115 5.140 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.750 -2.181 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.748 -2.040 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.819 -3.779 3.236 1.00 0.00 H new ATOM 0 HG LEU A 51 1.028 -4.177 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.412 -2.420 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.691 -2.468 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.558 -1.205 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.842 -2.908 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.947 -1.769 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.433 -3.466 1.347 1.00 0.00 H new ATOM 779 N SER A 52 -2.017 -4.290 2.614 1.00 0.00 N ATOM 780 CA SER A 52 -2.744 -5.497 2.304 1.00 0.00 C ATOM 781 C SER A 52 -2.944 -5.558 0.804 1.00 0.00 C ATOM 782 O SER A 52 -3.410 -4.597 0.198 1.00 0.00 O ATOM 783 CB SER A 52 -4.033 -5.553 3.117 1.00 0.00 C ATOM 784 OG SER A 52 -3.890 -6.553 4.116 1.00 0.00 O ATOM 0 H SER A 52 -2.512 -3.433 2.368 1.00 0.00 H new ATOM 0 HA SER A 52 -2.188 -6.390 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.234 -4.585 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.880 -5.782 2.470 1.00 0.00 H new ATOM 0 HG SER A 52 -3.372 -7.303 3.756 1.00 0.00 H new ATOM 790 N VAL A 53 -2.505 -6.668 0.216 1.00 0.00 N ATOM 791 CA VAL A 53 -2.335 -6.827 -1.217 1.00 0.00 C ATOM 792 C VAL A 53 -2.566 -8.297 -1.579 1.00 0.00 C ATOM 793 O VAL A 53 -2.159 -9.178 -0.821 1.00 0.00 O ATOM 794 CB VAL A 53 -0.955 -6.281 -1.611 1.00 0.00 C ATOM 795 CG1 VAL A 53 0.205 -6.836 -0.773 1.00 0.00 C ATOM 796 CG2 VAL A 53 -0.693 -6.456 -3.112 1.00 0.00 C ATOM 0 H VAL A 53 -2.252 -7.504 0.743 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.065 -6.254 -1.789 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.991 -5.215 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.143 -6.400 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.050 -6.584 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.247 -7.920 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.292 -6.059 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.732 -7.515 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.453 -5.918 -3.679 1.00 0.00 H new ATOM 806 N LEU A 54 -3.273 -8.557 -2.678 1.00 0.00 N ATOM 807 CA LEU A 54 -3.751 -9.876 -3.078 1.00 0.00 C ATOM 808 C LEU A 54 -2.720 -10.434 -4.036 1.00 0.00 C ATOM 809 O LEU A 54 -2.426 -9.800 -5.051 1.00 0.00 O ATOM 810 CB LEU A 54 -5.123 -9.732 -3.753 1.00 0.00 C ATOM 811 CG LEU A 54 -5.918 -11.023 -4.029 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.335 -11.743 -2.755 1.00 0.00 C ATOM 813 CD2 LEU A 54 -7.130 -10.712 -4.894 1.00 0.00 C ATOM 0 H LEU A 54 -3.538 -7.826 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.874 -10.547 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.739 -9.084 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.979 -9.216 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.255 -11.703 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.891 -12.644 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.447 -12.015 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.965 -11.086 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.686 -11.630 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.772 -9.999 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.801 -10.284 -5.841 1.00 0.00 H new ATOM 825 N TRP A 55 -2.141 -11.584 -3.712 1.00 0.00 N ATOM 826 CA TRP A 55 -1.063 -12.149 -4.503 1.00 0.00 C ATOM 827 C TRP A 55 -1.232 -13.650 -4.575 1.00 0.00 C ATOM 828 O TRP A 55 -1.360 -14.279 -3.525 1.00 0.00 O ATOM 829 CB TRP A 55 0.273 -11.754 -3.877 1.00 0.00 C ATOM 830 CG TRP A 55 1.407 -11.852 -4.838 1.00 0.00 C ATOM 831 CD1 TRP A 55 2.491 -12.647 -4.723 1.00 0.00 C ATOM 832 CD2 TRP A 55 1.570 -11.114 -6.081 1.00 0.00 C ATOM 833 NE1 TRP A 55 3.309 -12.459 -5.821 1.00 0.00 N ATOM 834 CE2 TRP A 55 2.798 -11.513 -6.687 1.00 0.00 C ATOM 835 CE3 TRP A 55 0.802 -10.132 -6.743 1.00 0.00 C ATOM 836 CZ2 TRP A 55 3.258 -10.923 -7.875 1.00 0.00 C ATOM 837 CZ3 TRP A 55 1.227 -9.592 -7.967 1.00 0.00 C ATOM 838 CH2 TRP A 55 2.448 -9.990 -8.535 1.00 0.00 C ATOM 0 H TRP A 55 -2.405 -12.144 -2.901 1.00 0.00 H new ATOM 0 HA TRP A 55 -1.086 -11.762 -5.522 1.00 0.00 H new ATOM 0 HB2 TRP A 55 0.207 -10.733 -3.502 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.472 -12.396 -3.019 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.688 -13.322 -3.904 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.185 -12.959 -5.973 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.124 -9.792 -6.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 4.226 -11.186 -8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.611 -8.865 -8.475 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.763 -9.576 -9.482 1.00 0.00 H new ATOM 849 N ASP A 56 -1.274 -14.209 -5.790 1.00 0.00 N ATOM 850 CA ASP A 56 -1.541 -15.632 -6.039 1.00 0.00 C ATOM 851 C ASP A 56 -2.725 -16.114 -5.184 1.00 0.00 C ATOM 852 O ASP A 56 -2.669 -17.117 -4.473 1.00 0.00 O ATOM 853 CB ASP A 56 -0.232 -16.413 -5.868 1.00 0.00 C ATOM 854 CG ASP A 56 -0.359 -17.925 -6.038 1.00 0.00 C ATOM 855 OD1 ASP A 56 -1.115 -18.417 -6.903 1.00 0.00 O ATOM 856 OD2 ASP A 56 0.352 -18.618 -5.274 1.00 0.00 O ATOM 0 H ASP A 56 -1.120 -13.675 -6.645 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.866 -15.811 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.494 -16.040 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.171 -16.206 -4.877 1.00 0.00 H new ATOM 861 N GLY A 57 -3.794 -15.313 -5.229 1.00 0.00 N ATOM 862 CA GLY A 57 -5.092 -15.572 -4.632 1.00 0.00 C ATOM 863 C GLY A 57 -5.185 -15.239 -3.148 1.00 0.00 C ATOM 864 O GLY A 57 -6.222 -15.512 -2.543 1.00 0.00 O ATOM 0 H GLY A 57 -3.767 -14.416 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.846 -14.995 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.338 -16.625 -4.771 1.00 0.00 H new ATOM 868 N LEU A 58 -4.126 -14.688 -2.548 1.00 0.00 N ATOM 869 CA LEU A 58 -3.945 -14.614 -1.100 1.00 0.00 C ATOM 870 C LEU A 58 -3.730 -13.160 -0.668 1.00 0.00 C ATOM 871 O LEU A 58 -2.695 -12.579 -1.001 1.00 0.00 O ATOM 872 CB LEU A 58 -2.763 -15.509 -0.691 1.00 0.00 C ATOM 873 CG LEU A 58 -2.597 -15.796 0.809 1.00 0.00 C ATOM 874 CD1 LEU A 58 -2.282 -14.549 1.637 1.00 0.00 C ATOM 875 CD2 LEU A 58 -3.791 -16.536 1.411 1.00 0.00 C ATOM 0 H LEU A 58 -3.354 -14.272 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.841 -14.975 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.863 -16.462 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.845 -15.045 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.729 -16.454 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.178 -14.826 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.351 -14.104 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.092 -13.827 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.614 -16.710 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.692 -15.935 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.920 -17.492 0.904 1.00 0.00 H new ATOM 887 N PRO A 59 -4.662 -12.552 0.085 1.00 0.00 N ATOM 888 CA PRO A 59 -4.518 -11.209 0.631 1.00 0.00 C ATOM 889 C PRO A 59 -3.482 -11.207 1.761 1.00 0.00 C ATOM 890 O PRO A 59 -3.769 -11.568 2.908 1.00 0.00 O ATOM 891 CB PRO A 59 -5.916 -10.806 1.101 1.00 0.00 C ATOM 892 CG PRO A 59 -6.514 -12.150 1.499 1.00 0.00 C ATOM 893 CD PRO A 59 -5.922 -13.134 0.514 1.00 0.00 C ATOM 0 HA PRO A 59 -4.149 -10.491 -0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.880 -10.111 1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.489 -10.322 0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.255 -12.411 2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.602 -12.134 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.765 -14.107 0.979 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.590 -13.290 -0.333 1.00 0.00 H new ATOM 901 N ARG A 60 -2.252 -10.818 1.440 1.00 0.00 N ATOM 902 CA ARG A 60 -1.180 -10.634 2.409 1.00 0.00 C ATOM 903 C ARG A 60 -1.472 -9.436 3.318 1.00 0.00 C ATOM 904 O ARG A 60 -2.371 -8.630 3.057 1.00 0.00 O ATOM 905 CB ARG A 60 0.134 -10.451 1.637 1.00 0.00 C ATOM 906 CG ARG A 60 0.517 -11.666 0.772 1.00 0.00 C ATOM 907 CD ARG A 60 1.105 -12.788 1.637 1.00 0.00 C ATOM 908 NE ARG A 60 1.328 -14.031 0.878 1.00 0.00 N ATOM 909 CZ ARG A 60 1.016 -15.263 1.306 1.00 0.00 C ATOM 910 NH1 ARG A 60 0.714 -15.490 2.586 1.00 0.00 N ATOM 911 NH2 ARG A 60 1.009 -16.258 0.432 1.00 0.00 N ATOM 0 H ARG A 60 -1.968 -10.618 0.481 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.101 -11.507 3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.050 -9.572 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.938 -10.253 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.362 -12.032 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.243 -11.365 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.050 -12.454 2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.431 -12.991 2.470 1.00 0.00 H new ATOM 0 HE ARG A 60 1.753 -13.948 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.718 -14.720 3.255 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.479 -16.433 2.895 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.238 -16.080 -0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.774 -17.203 0.737 1.00 0.00 H new ATOM 925 N HIS A 61 -0.682 -9.287 4.378 1.00 0.00 N ATOM 926 CA HIS A 61 -0.760 -8.198 5.342 1.00 0.00 C ATOM 927 C HIS A 61 0.647 -7.889 5.858 1.00 0.00 C ATOM 928 O HIS A 61 1.062 -8.363 6.915 1.00 0.00 O ATOM 929 CB HIS A 61 -1.748 -8.563 6.466 1.00 0.00 C ATOM 930 CG HIS A 61 -1.590 -9.934 7.090 1.00 0.00 C ATOM 931 ND1 HIS A 61 -0.886 -10.237 8.236 1.00 0.00 N ATOM 932 CD2 HIS A 61 -2.148 -11.097 6.628 1.00 0.00 C ATOM 933 CE1 HIS A 61 -0.977 -11.561 8.435 1.00 0.00 C ATOM 934 NE2 HIS A 61 -1.765 -12.123 7.503 1.00 0.00 N ATOM 0 H HIS A 61 0.061 -9.951 4.596 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.144 -7.292 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.656 -7.817 7.255 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.760 -8.484 6.069 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.769 -11.204 5.751 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.486 -12.099 9.232 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.033 -13.105 7.444 1.00 0.00 H new ATOM 942 N PHE A 62 1.433 -7.142 5.094 1.00 0.00 N ATOM 943 CA PHE A 62 2.739 -6.661 5.513 1.00 0.00 C ATOM 944 C PHE A 62 2.484 -5.388 6.310 1.00 0.00 C ATOM 945 O PHE A 62 1.730 -4.537 5.861 1.00 0.00 O ATOM 946 CB PHE A 62 3.611 -6.407 4.273 1.00 0.00 C ATOM 947 CG PHE A 62 3.669 -7.582 3.306 1.00 0.00 C ATOM 948 CD1 PHE A 62 4.476 -8.697 3.601 1.00 0.00 C ATOM 949 CD2 PHE A 62 2.883 -7.586 2.136 1.00 0.00 C ATOM 950 CE1 PHE A 62 4.488 -9.810 2.742 1.00 0.00 C ATOM 951 CE2 PHE A 62 2.910 -8.699 1.275 1.00 0.00 C ATOM 952 CZ PHE A 62 3.697 -9.827 1.582 1.00 0.00 C ATOM 0 H PHE A 62 1.175 -6.850 4.151 1.00 0.00 H new ATOM 0 HA PHE A 62 3.276 -7.382 6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.228 -5.534 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.623 -6.166 4.597 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.088 -8.698 4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.260 -6.736 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.112 -10.660 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.321 -8.689 0.370 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.692 -10.692 0.935 1.00 0.00 H new ATOM 962 N ILE A 63 3.029 -5.259 7.514 1.00 0.00 N ATOM 963 CA ILE A 63 2.980 -3.982 8.229 1.00 0.00 C ATOM 964 C ILE A 63 3.798 -2.974 7.411 1.00 0.00 C ATOM 965 O ILE A 63 4.910 -3.306 6.986 1.00 0.00 O ATOM 966 CB ILE A 63 3.454 -4.182 9.685 1.00 0.00 C ATOM 967 CG1 ILE A 63 2.329 -4.874 10.494 1.00 0.00 C ATOM 968 CG2 ILE A 63 3.901 -2.874 10.347 1.00 0.00 C ATOM 969 CD1 ILE A 63 1.222 -3.939 11.018 1.00 0.00 C ATOM 0 H ILE A 63 3.505 -6.010 8.013 1.00 0.00 H new ATOM 0 HA ILE A 63 1.970 -3.583 8.320 1.00 0.00 H new ATOM 0 HB ILE A 63 4.337 -4.821 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.870 -5.637 9.866 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.779 -5.388 11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.224 -3.075 11.369 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.729 -2.445 9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.069 -2.170 10.361 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.485 -4.522 11.570 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.660 -3.190 11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.737 -3.443 10.177 1.00 0.00 H new ATOM 981 N ILE A 64 3.228 -1.793 7.151 1.00 0.00 N ATOM 982 CA ILE A 64 3.901 -0.699 6.461 1.00 0.00 C ATOM 983 C ILE A 64 5.197 -0.376 7.199 1.00 0.00 C ATOM 984 O ILE A 64 5.358 -0.590 8.401 1.00 0.00 O ATOM 985 CB ILE A 64 2.979 0.537 6.361 1.00 0.00 C ATOM 986 CG1 ILE A 64 1.763 0.289 5.455 1.00 0.00 C ATOM 987 CG2 ILE A 64 3.656 1.852 5.943 1.00 0.00 C ATOM 988 CD1 ILE A 64 2.042 0.356 3.963 1.00 0.00 C ATOM 0 H ILE A 64 2.270 -1.571 7.421 1.00 0.00 H new ATOM 0 HA ILE A 64 4.140 -0.998 5.440 1.00 0.00 H new ATOM 0 HB ILE A 64 2.660 0.674 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.351 -0.693 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.994 1.022 5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.913 2.648 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.429 2.110 6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.107 1.732 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.121 0.167 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.421 1.345 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.784 -0.397 3.698 1.00 0.00 H new ATOM 1000 N GLN A 65 6.138 0.115 6.414 1.00 0.00 N ATOM 1001 CA GLN A 65 7.508 0.355 6.802 1.00 0.00 C ATOM 1002 C GLN A 65 7.574 1.512 7.797 1.00 0.00 C ATOM 1003 O GLN A 65 6.617 2.265 7.978 1.00 0.00 O ATOM 1004 CB GLN A 65 8.353 0.643 5.541 1.00 0.00 C ATOM 1005 CG GLN A 65 7.924 -0.227 4.342 1.00 0.00 C ATOM 1006 CD GLN A 65 6.847 0.425 3.478 1.00 0.00 C ATOM 1007 OE1 GLN A 65 5.676 0.062 3.526 1.00 0.00 O ATOM 1008 NE2 GLN A 65 7.221 1.426 2.705 1.00 0.00 N ATOM 0 H GLN A 65 5.955 0.368 5.443 1.00 0.00 H new ATOM 0 HA GLN A 65 7.915 -0.528 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.260 1.696 5.276 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.405 0.462 5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.797 -0.438 3.724 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.555 -1.184 4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.200 1.712 2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.532 1.914 2.133 1.00 0.00 H new ATOM 1017 N SER A 66 8.754 1.707 8.362 1.00 0.00 N ATOM 1018 CA SER A 66 9.165 2.873 9.087 1.00 0.00 C ATOM 1019 C SER A 66 10.658 2.671 9.287 1.00 0.00 C ATOM 1020 O SER A 66 11.133 1.552 9.473 1.00 0.00 O ATOM 1021 CB SER A 66 8.435 2.937 10.436 1.00 0.00 C ATOM 1022 OG SER A 66 8.917 4.000 11.253 1.00 0.00 O ATOM 0 H SER A 66 9.490 1.002 8.317 1.00 0.00 H new ATOM 0 HA SER A 66 8.938 3.804 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.367 3.067 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.560 1.990 10.961 1.00 0.00 H new ATOM 0 HG SER A 66 8.427 4.008 12.102 1.00 0.00 H new ATOM 1028 N LEU A 67 11.367 3.775 9.408 1.00 0.00 N ATOM 1029 CA LEU A 67 12.574 3.858 10.203 1.00 0.00 C ATOM 1030 C LEU A 67 12.433 5.098 11.072 1.00 0.00 C ATOM 1031 O LEU A 67 11.536 5.132 11.914 1.00 0.00 O ATOM 1032 CB LEU A 67 13.848 3.778 9.347 1.00 0.00 C ATOM 1033 CG LEU A 67 13.843 4.657 8.078 1.00 0.00 C ATOM 1034 CD1 LEU A 67 15.267 5.146 7.807 1.00 0.00 C ATOM 1035 CD2 LEU A 67 13.338 3.862 6.870 1.00 0.00 C ATOM 0 H LEU A 67 11.117 4.652 8.950 1.00 0.00 H new ATOM 0 HA LEU A 67 12.693 2.994 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 67 14.700 4.064 9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 67 14.003 2.741 9.051 1.00 0.00 H new ATOM 0 HG LEU A 67 13.176 5.505 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 67 15.274 5.768 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.619 5.730 8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 15.924 4.289 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.343 4.500 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.989 3.004 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.323 3.515 7.062 1.00 0.00 H new ATOM 1047 N ASP A 68 13.272 6.112 10.873 1.00 0.00 N ATOM 1048 CA ASP A 68 13.314 7.298 11.718 1.00 0.00 C ATOM 1049 C ASP A 68 12.167 8.245 11.400 1.00 0.00 C ATOM 1050 O ASP A 68 11.532 8.786 12.303 1.00 0.00 O ATOM 1051 CB ASP A 68 14.626 8.041 11.465 1.00 0.00 C ATOM 1052 CG ASP A 68 15.794 7.428 12.221 1.00 0.00 C ATOM 1053 OD1 ASP A 68 16.463 6.529 11.661 1.00 0.00 O ATOM 1054 OD2 ASP A 68 16.095 7.894 13.343 1.00 0.00 O ATOM 0 H ASP A 68 13.949 6.131 10.110 1.00 0.00 H new ATOM 0 HA ASP A 68 13.232 6.978 12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.844 8.034 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.513 9.084 11.761 1.00 0.00 H new ATOM 1059 N ASN A 69 11.974 8.505 10.107 1.00 0.00 N ATOM 1060 CA ASN A 69 11.069 9.505 9.547 1.00 0.00 C ATOM 1061 C ASN A 69 10.673 9.139 8.101 1.00 0.00 C ATOM 1062 O ASN A 69 10.019 9.917 7.405 1.00 0.00 O ATOM 1063 CB ASN A 69 11.791 10.866 9.618 1.00 0.00 C ATOM 1064 CG ASN A 69 11.036 12.023 8.978 1.00 0.00 C ATOM 1065 OD1 ASN A 69 11.465 12.548 7.954 1.00 0.00 O ATOM 1066 ND2 ASN A 69 9.944 12.487 9.559 1.00 0.00 N ATOM 0 H ASN A 69 12.475 7.993 9.381 1.00 0.00 H new ATOM 0 HA ASN A 69 10.139 9.549 10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.979 11.108 10.664 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.763 10.772 9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.452 13.285 9.157 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.592 12.047 10.409 1.00 0.00 H new ATOM 1073 N LEU A 70 11.140 7.985 7.611 1.00 0.00 N ATOM 1074 CA LEU A 70 10.997 7.531 6.231 1.00 0.00 C ATOM 1075 C LEU A 70 10.390 6.130 6.236 1.00 0.00 C ATOM 1076 O LEU A 70 10.328 5.479 7.282 1.00 0.00 O ATOM 1077 CB LEU A 70 12.359 7.490 5.500 1.00 0.00 C ATOM 1078 CG LEU A 70 13.220 8.770 5.572 1.00 0.00 C ATOM 1079 CD1 LEU A 70 14.704 8.410 5.681 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.978 9.659 4.351 1.00 0.00 C ATOM 0 H LEU A 70 11.648 7.318 8.192 1.00 0.00 H new ATOM 0 HA LEU A 70 10.352 8.233 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.941 6.664 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.176 7.261 4.450 1.00 0.00 H new ATOM 0 HG LEU A 70 12.928 9.326 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.297 9.323 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.870 7.820 6.582 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.003 7.830 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.595 10.554 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.239 9.112 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.927 9.945 4.312 1.00 0.00 H new ATOM 1092 N TYR A 71 10.027 5.647 5.051 1.00 0.00 N ATOM 1093 CA TYR A 71 9.386 4.362 4.809 1.00 0.00 C ATOM 1094 C TYR A 71 10.198 3.688 3.705 1.00 0.00 C ATOM 1095 O TYR A 71 10.386 4.318 2.666 1.00 0.00 O ATOM 1096 CB TYR A 71 7.931 4.602 4.354 1.00 0.00 C ATOM 1097 CG TYR A 71 7.158 5.592 5.205 1.00 0.00 C ATOM 1098 CD1 TYR A 71 7.200 6.964 4.902 1.00 0.00 C ATOM 1099 CD2 TYR A 71 6.419 5.147 6.313 1.00 0.00 C ATOM 1100 CE1 TYR A 71 6.539 7.894 5.725 1.00 0.00 C ATOM 1101 CE2 TYR A 71 5.753 6.061 7.145 1.00 0.00 C ATOM 1102 CZ TYR A 71 5.822 7.446 6.862 1.00 0.00 C ATOM 1103 OH TYR A 71 5.196 8.351 7.664 1.00 0.00 O ATOM 0 H TYR A 71 10.181 6.171 4.189 1.00 0.00 H new ATOM 0 HA TYR A 71 9.356 3.737 5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.940 4.958 3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.401 3.649 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.742 7.306 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.362 4.090 6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 71 6.578 8.948 5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.191 5.709 7.997 1.00 0.00 H new ATOM 0 HH TYR A 71 4.749 7.882 8.399 1.00 0.00 H new ATOM 1113 N ARG A 72 10.704 2.463 3.908 1.00 0.00 N ATOM 1114 CA ARG A 72 11.524 1.710 2.948 1.00 0.00 C ATOM 1115 C ARG A 72 11.132 0.245 2.983 1.00 0.00 C ATOM 1116 O ARG A 72 11.064 -0.298 4.080 1.00 0.00 O ATOM 1117 CB ARG A 72 13.017 1.839 3.282 1.00 0.00 C ATOM 1118 CG ARG A 72 13.487 1.359 4.666 1.00 0.00 C ATOM 1119 CD ARG A 72 14.045 -0.069 4.725 1.00 0.00 C ATOM 1120 NE ARG A 72 15.356 -0.152 4.076 1.00 0.00 N ATOM 1121 CZ ARG A 72 16.188 -1.189 4.113 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.847 -2.301 4.759 1.00 0.00 N ATOM 1123 NH2 ARG A 72 17.354 -1.103 3.489 1.00 0.00 N ATOM 0 H ARG A 72 10.548 1.951 4.776 1.00 0.00 H new ATOM 0 HA ARG A 72 11.350 2.121 1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.578 1.287 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.294 2.888 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.255 2.044 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.648 1.430 5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.130 -0.387 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.351 -0.754 4.238 1.00 0.00 H new ATOM 0 HE ARG A 72 15.660 0.664 3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.944 -2.361 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.489 -3.093 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.603 -0.250 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.002 -1.890 3.509 1.00 0.00 H new ATOM 1137 N LEU A 73 10.796 -0.374 1.850 1.00 0.00 N ATOM 1138 CA LEU A 73 10.242 -1.730 1.839 1.00 0.00 C ATOM 1139 C LEU A 73 11.269 -2.748 1.389 1.00 0.00 C ATOM 1140 O LEU A 73 11.360 -3.807 2.008 1.00 0.00 O ATOM 1141 CB LEU A 73 8.948 -1.791 1.018 1.00 0.00 C ATOM 1142 CG LEU A 73 8.132 -3.072 1.243 1.00 0.00 C ATOM 1143 CD1 LEU A 73 7.728 -3.379 2.690 1.00 0.00 C ATOM 1144 CD2 LEU A 73 6.862 -2.911 0.436 1.00 0.00 C ATOM 0 H LEU A 73 10.898 0.043 0.925 1.00 0.00 H new ATOM 0 HA LEU A 73 9.978 -1.995 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.329 -0.929 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.196 -1.710 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 73 8.773 -3.903 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.157 -4.307 2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.623 -3.484 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.116 -2.564 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.239 -3.797 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.318 -2.033 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.114 -2.787 -0.617 1.00 0.00 H new ATOM 1156 N GLU A 74 12.116 -2.414 0.417 1.00 0.00 N ATOM 1157 CA GLU A 74 13.249 -3.262 0.054 1.00 0.00 C ATOM 1158 C GLU A 74 14.549 -2.557 0.444 1.00 0.00 C ATOM 1159 O GLU A 74 15.293 -3.091 1.275 1.00 0.00 O ATOM 1160 CB GLU A 74 13.193 -3.681 -1.421 1.00 0.00 C ATOM 1161 CG GLU A 74 14.192 -4.800 -1.774 1.00 0.00 C ATOM 1162 CD GLU A 74 13.969 -5.397 -3.171 1.00 0.00 C ATOM 1163 OE1 GLU A 74 13.834 -4.639 -4.156 1.00 0.00 O ATOM 1164 OE2 GLU A 74 13.936 -6.648 -3.295 1.00 0.00 O ATOM 0 H GLU A 74 12.038 -1.559 -0.135 1.00 0.00 H new ATOM 0 HA GLU A 74 13.203 -4.198 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.183 -4.016 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.396 -2.812 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.206 -4.404 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.115 -5.594 -1.031 1.00 0.00 H new ATOM 1171 N GLY A 75 14.806 -1.376 -0.133 1.00 0.00 N ATOM 1172 CA GLY A 75 16.081 -0.680 -0.064 1.00 0.00 C ATOM 1173 C GLY A 75 15.938 0.747 0.447 1.00 0.00 C ATOM 1174 O GLY A 75 16.037 0.983 1.650 1.00 0.00 O ATOM 0 H GLY A 75 14.106 -0.870 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.757 -1.231 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.537 -0.664 -1.054 1.00 0.00 H new ATOM 1178 N GLU A 76 15.798 1.708 -0.462 1.00 0.00 N ATOM 1179 CA GLU A 76 15.816 3.125 -0.101 1.00 0.00 C ATOM 1180 C GLU A 76 14.466 3.601 0.444 1.00 0.00 C ATOM 1181 O GLU A 76 13.453 2.912 0.292 1.00 0.00 O ATOM 1182 CB GLU A 76 16.371 3.978 -1.247 1.00 0.00 C ATOM 1183 CG GLU A 76 15.449 4.100 -2.464 1.00 0.00 C ATOM 1184 CD GLU A 76 16.239 4.640 -3.655 1.00 0.00 C ATOM 1185 OE1 GLU A 76 16.879 3.832 -4.369 1.00 0.00 O ATOM 1186 OE2 GLU A 76 16.259 5.869 -3.890 1.00 0.00 O ATOM 0 H GLU A 76 15.670 1.531 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 76 16.508 3.257 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.582 4.978 -0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 76 17.321 3.553 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.023 3.127 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.616 4.765 -2.236 1.00 0.00 H new ATOM 1193 N GLY A 77 14.468 4.749 1.132 1.00 0.00 N ATOM 1194 CA GLY A 77 13.317 5.272 1.859 1.00 0.00 C ATOM 1195 C GLY A 77 12.813 6.583 1.272 1.00 0.00 C ATOM 1196 O GLY A 77 13.555 7.275 0.573 1.00 0.00 O ATOM 0 H GLY A 77 15.290 5.349 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.514 4.536 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.588 5.424 2.904 1.00 0.00 H new ATOM 1200 N PHE A 78 11.573 6.951 1.604 1.00 0.00 N ATOM 1201 CA PHE A 78 10.929 8.185 1.149 1.00 0.00 C ATOM 1202 C PHE A 78 10.258 8.905 2.319 1.00 0.00 C ATOM 1203 O PHE A 78 9.922 8.253 3.308 1.00 0.00 O ATOM 1204 CB PHE A 78 9.901 7.864 0.054 1.00 0.00 C ATOM 1205 CG PHE A 78 10.548 7.685 -1.299 1.00 0.00 C ATOM 1206 CD1 PHE A 78 11.129 6.450 -1.638 1.00 0.00 C ATOM 1207 CD2 PHE A 78 10.630 8.773 -2.189 1.00 0.00 C ATOM 1208 CE1 PHE A 78 11.785 6.295 -2.869 1.00 0.00 C ATOM 1209 CE2 PHE A 78 11.271 8.611 -3.426 1.00 0.00 C ATOM 1210 CZ PHE A 78 11.855 7.377 -3.759 1.00 0.00 C ATOM 0 H PHE A 78 10.976 6.387 2.209 1.00 0.00 H new ATOM 0 HA PHE A 78 11.690 8.846 0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.361 6.955 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 78 9.166 8.667 0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.070 5.620 -0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 78 10.202 9.727 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 78 12.234 5.348 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.316 9.435 -4.123 1.00 0.00 H new ATOM 0 HZ PHE A 78 12.361 7.261 -4.706 1.00 0.00 H new ATOM 1220 N PRO A 79 10.014 10.225 2.204 1.00 0.00 N ATOM 1221 CA PRO A 79 9.407 11.051 3.250 1.00 0.00 C ATOM 1222 C PRO A 79 7.925 10.754 3.494 1.00 0.00 C ATOM 1223 O PRO A 79 7.359 11.201 4.492 1.00 0.00 O ATOM 1224 CB PRO A 79 9.559 12.497 2.752 1.00 0.00 C ATOM 1225 CG PRO A 79 9.554 12.324 1.241 1.00 0.00 C ATOM 1226 CD PRO A 79 10.383 11.065 1.070 1.00 0.00 C ATOM 0 HA PRO A 79 9.899 10.853 4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.740 13.132 3.091 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.483 12.953 3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.545 12.206 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.998 13.178 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.164 10.572 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.450 11.289 1.073 1.00 0.00 H new ATOM 1234 N SER A 80 7.262 10.083 2.556 1.00 0.00 N ATOM 1235 CA SER A 80 5.847 9.755 2.596 1.00 0.00 C ATOM 1236 C SER A 80 5.721 8.319 2.112 1.00 0.00 C ATOM 1237 O SER A 80 6.570 7.847 1.351 1.00 0.00 O ATOM 1238 CB SER A 80 5.085 10.753 1.718 1.00 0.00 C ATOM 1239 OG SER A 80 5.470 12.094 1.984 1.00 0.00 O ATOM 0 H SER A 80 7.720 9.740 1.712 1.00 0.00 H new ATOM 0 HA SER A 80 5.419 9.828 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.266 10.525 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.014 10.642 1.888 1.00 0.00 H new ATOM 0 HG SER A 80 4.858 12.707 1.525 1.00 0.00 H new ATOM 1245 N ILE A 81 4.679 7.628 2.562 1.00 0.00 N ATOM 1246 CA ILE A 81 4.305 6.330 2.020 1.00 0.00 C ATOM 1247 C ILE A 81 3.982 6.520 0.533 1.00 0.00 C ATOM 1248 O ILE A 81 4.548 5.767 -0.261 1.00 0.00 O ATOM 1249 CB ILE A 81 3.155 5.701 2.851 1.00 0.00 C ATOM 1250 CG1 ILE A 81 3.680 5.329 4.257 1.00 0.00 C ATOM 1251 CG2 ILE A 81 2.508 4.472 2.183 1.00 0.00 C ATOM 1252 CD1 ILE A 81 2.601 5.212 5.338 1.00 0.00 C ATOM 0 H ILE A 81 4.071 7.954 3.313 1.00 0.00 H new ATOM 0 HA ILE A 81 5.122 5.612 2.093 1.00 0.00 H new ATOM 0 HB ILE A 81 2.369 6.453 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.212 4.380 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.406 6.080 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.713 4.087 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.091 4.760 1.218 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.262 3.699 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.065 4.948 6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.083 6.166 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.886 4.439 5.056 1.00 0.00 H new ATOM 1264 N PRO A 82 3.129 7.492 0.123 1.00 0.00 N ATOM 1265 CA PRO A 82 2.665 7.593 -1.262 1.00 0.00 C ATOM 1266 C PRO A 82 3.814 7.820 -2.244 1.00 0.00 C ATOM 1267 O PRO A 82 3.799 7.310 -3.367 1.00 0.00 O ATOM 1268 CB PRO A 82 1.619 8.717 -1.287 1.00 0.00 C ATOM 1269 CG PRO A 82 1.846 9.501 -0.005 1.00 0.00 C ATOM 1270 CD PRO A 82 2.403 8.459 0.943 1.00 0.00 C ATOM 0 HA PRO A 82 2.218 6.656 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.744 9.352 -2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.608 8.313 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.545 10.324 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.919 9.934 0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.065 8.918 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 82 1.601 7.972 1.497 1.00 0.00 H new ATOM 1278 N LEU A 83 4.861 8.496 -1.784 1.00 0.00 N ATOM 1279 CA LEU A 83 6.042 8.787 -2.570 1.00 0.00 C ATOM 1280 C LEU A 83 6.894 7.568 -2.874 1.00 0.00 C ATOM 1281 O LEU A 83 7.599 7.588 -3.878 1.00 0.00 O ATOM 1282 CB LEU A 83 6.840 9.896 -1.859 1.00 0.00 C ATOM 1283 CG LEU A 83 6.404 11.294 -2.329 1.00 0.00 C ATOM 1284 CD1 LEU A 83 5.310 11.928 -1.475 1.00 0.00 C ATOM 1285 CD2 LEU A 83 7.599 12.231 -2.361 1.00 0.00 C ATOM 0 H LEU A 83 4.908 8.862 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 83 5.720 9.134 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.699 9.813 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.904 9.761 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 83 5.987 11.148 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.061 12.911 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.423 11.295 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.663 12.032 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.279 13.218 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.028 12.308 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.349 11.841 -3.049 1.00 0.00 H new ATOM 1297 N LEU A 84 6.811 6.499 -2.089 1.00 0.00 N ATOM 1298 CA LEU A 84 7.448 5.235 -2.446 1.00 0.00 C ATOM 1299 C LEU A 84 6.540 4.412 -3.347 1.00 0.00 C ATOM 1300 O LEU A 84 7.044 3.668 -4.180 1.00 0.00 O ATOM 1301 CB LEU A 84 7.739 4.473 -1.164 1.00 0.00 C ATOM 1302 CG LEU A 84 8.472 3.120 -1.303 1.00 0.00 C ATOM 1303 CD1 LEU A 84 9.659 3.068 -2.275 1.00 0.00 C ATOM 1304 CD2 LEU A 84 8.996 2.706 0.075 1.00 0.00 C ATOM 0 H LEU A 84 6.309 6.482 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 84 8.372 5.429 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.334 5.116 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.792 4.295 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 84 7.721 2.450 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.083 2.064 -2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.318 3.321 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.420 3.782 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.517 1.752 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.685 3.465 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.160 2.606 0.767 1.00 0.00 H new ATOM 1316 N ILE A 85 5.214 4.550 -3.218 1.00 0.00 N ATOM 1317 CA ILE A 85 4.273 3.748 -3.992 1.00 0.00 C ATOM 1318 C ILE A 85 4.578 3.862 -5.478 1.00 0.00 C ATOM 1319 O ILE A 85 4.511 2.853 -6.161 1.00 0.00 O ATOM 1320 CB ILE A 85 2.803 4.087 -3.673 1.00 0.00 C ATOM 1321 CG1 ILE A 85 2.511 3.920 -2.179 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.779 3.261 -4.471 1.00 0.00 C ATOM 1323 CD1 ILE A 85 2.967 2.607 -1.541 1.00 0.00 C ATOM 0 H ILE A 85 4.773 5.213 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 85 4.406 2.707 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 85 2.686 5.128 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.985 4.743 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.436 4.019 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.770 3.561 -4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.923 3.435 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.917 2.202 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.705 2.606 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.474 1.771 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.047 2.507 -1.648 1.00 0.00 H new ATOM 1335 N ASP A 86 4.922 5.043 -5.999 1.00 0.00 N ATOM 1336 CA ASP A 86 5.195 5.161 -7.430 1.00 0.00 C ATOM 1337 C ASP A 86 6.439 4.389 -7.842 1.00 0.00 C ATOM 1338 O ASP A 86 6.432 3.711 -8.864 1.00 0.00 O ATOM 1339 CB ASP A 86 5.347 6.612 -7.860 1.00 0.00 C ATOM 1340 CG ASP A 86 5.253 6.707 -9.394 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.214 6.293 -9.960 1.00 0.00 O ATOM 1342 OD2 ASP A 86 6.165 7.259 -10.052 1.00 0.00 O ATOM 0 H ASP A 86 5.016 5.908 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 86 4.330 4.728 -7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.570 7.222 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.305 7.005 -7.519 1.00 0.00 H new ATOM 1347 N HIS A 87 7.505 4.473 -7.044 1.00 0.00 N ATOM 1348 CA HIS A 87 8.741 3.761 -7.325 1.00 0.00 C ATOM 1349 C HIS A 87 8.578 2.258 -7.136 1.00 0.00 C ATOM 1350 O HIS A 87 9.471 1.520 -7.537 1.00 0.00 O ATOM 1351 CB HIS A 87 9.900 4.256 -6.461 1.00 0.00 C ATOM 1352 CG HIS A 87 10.366 5.637 -6.827 1.00 0.00 C ATOM 1353 ND1 HIS A 87 10.023 6.794 -6.196 1.00 0.00 N flip ATOM 1354 CD2 HIS A 87 11.231 5.954 -7.846 1.00 0.00 C flip ATOM 1355 CE1 HIS A 87 10.676 7.852 -6.846 1.00 0.00 C flip ATOM 1356 NE2 HIS A 87 11.397 7.287 -7.836 1.00 0.00 N flip ATOM 0 H HIS A 87 7.531 5.034 -6.192 1.00 0.00 H new ATOM 0 HA HIS A 87 8.976 3.965 -8.370 1.00 0.00 H new ATOM 0 HB2 HIS A 87 9.593 4.249 -5.415 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.735 3.562 -6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.693 5.258 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 87 10.614 8.903 -6.604 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.988 7.802 -8.489 1.00 0.00 H new ATOM 1364 N LEU A 88 7.455 1.773 -6.605 1.00 0.00 N ATOM 1365 CA LEU A 88 7.101 0.368 -6.624 1.00 0.00 C ATOM 1366 C LEU A 88 6.070 0.055 -7.718 1.00 0.00 C ATOM 1367 O LEU A 88 6.121 -1.021 -8.315 1.00 0.00 O ATOM 1368 CB LEU A 88 6.581 -0.017 -5.248 1.00 0.00 C ATOM 1369 CG LEU A 88 7.624 -0.091 -4.118 1.00 0.00 C ATOM 1370 CD1 LEU A 88 7.216 -1.289 -3.266 1.00 0.00 C ATOM 1371 CD2 LEU A 88 9.101 -0.281 -4.491 1.00 0.00 C ATOM 0 H LEU A 88 6.760 2.361 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 88 7.986 -0.222 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.815 0.702 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.093 -0.989 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 88 7.604 0.889 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.917 -1.403 -2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.212 -1.130 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.227 -2.191 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.704 -0.313 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.221 -1.216 -5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.428 0.550 -5.115 1.00 0.00 H new ATOM 1383 N LEU A 89 5.130 0.959 -8.009 1.00 0.00 N ATOM 1384 CA LEU A 89 4.018 0.692 -8.927 1.00 0.00 C ATOM 1385 C LEU A 89 4.458 0.864 -10.373 1.00 0.00 C ATOM 1386 O LEU A 89 3.906 0.223 -11.260 1.00 0.00 O ATOM 1387 CB LEU A 89 2.821 1.624 -8.664 1.00 0.00 C ATOM 1388 CG LEU A 89 1.495 1.060 -9.220 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.839 -0.034 -8.431 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.421 2.123 -9.440 1.00 0.00 C ATOM 0 H LEU A 89 5.118 1.899 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 89 3.709 -0.338 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.721 1.786 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.016 2.596 -9.117 1.00 0.00 H new ATOM 0 HG LEU A 89 1.852 0.640 -10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.081 -0.340 -8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.514 -0.887 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.607 0.329 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.481 1.653 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.194 2.612 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.783 2.864 -10.153 1.00 0.00 H new ATOM 1402 N SER A 90 5.462 1.702 -10.619 1.00 0.00 N ATOM 1403 CA SER A 90 6.010 1.880 -11.949 1.00 0.00 C ATOM 1404 C SER A 90 7.138 0.880 -12.216 1.00 0.00 C ATOM 1405 O SER A 90 7.660 0.820 -13.332 1.00 0.00 O ATOM 1406 CB SER A 90 6.483 3.324 -12.170 1.00 0.00 C ATOM 1407 OG SER A 90 5.683 3.938 -13.159 1.00 0.00 O ATOM 0 H SER A 90 5.912 2.271 -9.902 1.00 0.00 H new ATOM 0 HA SER A 90 5.213 1.683 -12.666 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.420 3.885 -11.237 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.529 3.332 -12.477 1.00 0.00 H new ATOM 0 HG SER A 90 5.985 4.860 -13.298 1.00 0.00 H new ATOM 1413 N THR A 91 7.542 0.089 -11.224 1.00 0.00 N ATOM 1414 CA THR A 91 8.702 -0.791 -11.315 1.00 0.00 C ATOM 1415 C THR A 91 8.277 -2.249 -11.169 1.00 0.00 C ATOM 1416 O THR A 91 8.869 -3.124 -11.792 1.00 0.00 O ATOM 1417 CB THR A 91 9.722 -0.375 -10.257 1.00 0.00 C ATOM 1418 OG1 THR A 91 9.129 -0.584 -8.996 1.00 0.00 O ATOM 1419 CG2 THR A 91 10.101 1.106 -10.348 1.00 0.00 C ATOM 0 H THR A 91 7.066 0.042 -10.323 1.00 0.00 H new ATOM 0 HA THR A 91 9.170 -0.699 -12.295 1.00 0.00 H new ATOM 0 HB THR A 91 10.627 -0.963 -10.411 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.115 0.259 -8.497 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.828 1.344 -9.572 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.535 1.311 -11.327 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.210 1.719 -10.210 1.00 0.00 H new ATOM 1427 N GLN A 92 7.168 -2.495 -10.457 1.00 0.00 N ATOM 1428 CA GLN A 92 6.619 -3.832 -10.210 1.00 0.00 C ATOM 1429 C GLN A 92 7.594 -4.623 -9.330 1.00 0.00 C ATOM 1430 O GLN A 92 7.774 -5.830 -9.479 1.00 0.00 O ATOM 1431 CB GLN A 92 6.224 -4.545 -11.527 1.00 0.00 C ATOM 1432 CG GLN A 92 5.650 -3.664 -12.661 1.00 0.00 C ATOM 1433 CD GLN A 92 4.262 -3.089 -12.402 1.00 0.00 C ATOM 1434 OE1 GLN A 92 3.998 -2.563 -11.222 1.00 0.00 O flip ATOM 1435 NE2 GLN A 92 3.385 -3.082 -13.269 1.00 0.00 N flip ATOM 0 H GLN A 92 6.617 -1.752 -10.028 1.00 0.00 H new ATOM 0 HA GLN A 92 5.682 -3.752 -9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.105 -5.059 -11.911 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.487 -5.312 -11.288 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.339 -2.839 -12.841 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.615 -4.256 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.572 -3.485 -14.187 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.472 -2.674 -13.068 1.00 0.00 H new ATOM 1444 N GLN A 93 8.265 -3.899 -8.435 1.00 0.00 N ATOM 1445 CA GLN A 93 9.271 -4.436 -7.523 1.00 0.00 C ATOM 1446 C GLN A 93 8.614 -5.295 -6.428 1.00 0.00 C ATOM 1447 O GLN A 93 7.474 -5.020 -6.042 1.00 0.00 O ATOM 1448 CB GLN A 93 10.042 -3.274 -6.882 1.00 0.00 C ATOM 1449 CG GLN A 93 11.428 -3.055 -7.506 1.00 0.00 C ATOM 1450 CD GLN A 93 12.057 -1.761 -7.019 1.00 0.00 C ATOM 1451 OE1 GLN A 93 12.917 -1.725 -6.137 1.00 0.00 O ATOM 1452 NE2 GLN A 93 11.613 -0.656 -7.566 1.00 0.00 N ATOM 0 H GLN A 93 8.119 -2.896 -8.322 1.00 0.00 H new ATOM 0 HA GLN A 93 9.956 -5.069 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.457 -2.359 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.156 -3.466 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.078 -3.894 -7.256 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.340 -3.032 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.901 -0.698 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.979 0.246 -7.263 1.00 0.00 H new ATOM 1461 N PRO A 94 9.336 -6.287 -5.870 1.00 0.00 N ATOM 1462 CA PRO A 94 8.815 -7.150 -4.827 1.00 0.00 C ATOM 1463 C PRO A 94 8.837 -6.515 -3.437 1.00 0.00 C ATOM 1464 O PRO A 94 9.858 -6.009 -2.966 1.00 0.00 O ATOM 1465 CB PRO A 94 9.687 -8.399 -4.824 1.00 0.00 C ATOM 1466 CG PRO A 94 11.034 -7.805 -5.232 1.00 0.00 C ATOM 1467 CD PRO A 94 10.675 -6.712 -6.242 1.00 0.00 C ATOM 0 HA PRO A 94 7.767 -7.361 -5.040 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.724 -8.875 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.335 -9.151 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.564 -7.394 -4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.683 -8.559 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.381 -5.883 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.700 -7.093 -7.263 1.00 0.00 H new ATOM 1475 N LEU A 95 7.746 -6.709 -2.704 1.00 0.00 N ATOM 1476 CA LEU A 95 7.576 -6.221 -1.337 1.00 0.00 C ATOM 1477 C LEU A 95 8.459 -6.934 -0.306 1.00 0.00 C ATOM 1478 O LEU A 95 8.746 -6.391 0.755 1.00 0.00 O ATOM 1479 CB LEU A 95 6.125 -6.396 -0.908 1.00 0.00 C ATOM 1480 CG LEU A 95 5.081 -5.664 -1.769 1.00 0.00 C ATOM 1481 CD1 LEU A 95 3.816 -5.600 -0.913 1.00 0.00 C ATOM 1482 CD2 LEU A 95 5.421 -4.261 -2.288 1.00 0.00 C ATOM 0 H LEU A 95 6.935 -7.222 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 95 7.875 -5.173 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.890 -7.460 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.026 -6.052 0.121 1.00 0.00 H new ATOM 0 HG LEU A 95 4.995 -6.233 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.028 -5.089 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.491 -6.611 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.026 -5.054 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.587 -3.879 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.604 -3.596 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.313 -4.310 -2.912 1.00 0.00 H new ATOM 1494 N THR A 96 8.854 -8.173 -0.564 1.00 0.00 N ATOM 1495 CA THR A 96 9.731 -8.985 0.257 1.00 0.00 C ATOM 1496 C THR A 96 10.315 -10.089 -0.633 1.00 0.00 C ATOM 1497 O THR A 96 9.726 -10.475 -1.655 1.00 0.00 O ATOM 1498 CB THR A 96 8.956 -9.538 1.483 1.00 0.00 C ATOM 1499 OG1 THR A 96 9.680 -10.562 2.140 1.00 0.00 O ATOM 1500 CG2 THR A 96 7.582 -10.133 1.151 1.00 0.00 C ATOM 0 H THR A 96 8.550 -8.665 -1.404 1.00 0.00 H new ATOM 0 HA THR A 96 10.554 -8.397 0.663 1.00 0.00 H new ATOM 0 HB THR A 96 8.822 -8.659 2.114 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.164 -10.886 2.908 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.112 -10.495 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.953 -9.366 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.703 -10.961 0.453 1.00 0.00 H new ATOM 1508 N LYS A 97 11.427 -10.678 -0.185 1.00 0.00 N ATOM 1509 CA LYS A 97 12.023 -11.900 -0.717 1.00 0.00 C ATOM 1510 C LYS A 97 11.151 -13.146 -0.492 1.00 0.00 C ATOM 1511 O LYS A 97 11.526 -14.224 -0.947 1.00 0.00 O ATOM 1512 CB LYS A 97 13.417 -12.081 -0.078 1.00 0.00 C ATOM 1513 CG LYS A 97 14.454 -12.707 -1.024 1.00 0.00 C ATOM 1514 CD LYS A 97 14.950 -11.687 -2.060 1.00 0.00 C ATOM 1515 CE LYS A 97 15.901 -12.320 -3.081 1.00 0.00 C ATOM 1516 NZ LYS A 97 17.251 -12.568 -2.540 1.00 0.00 N ATOM 0 H LYS A 97 11.959 -10.295 0.596 1.00 0.00 H new ATOM 0 HA LYS A 97 12.108 -11.794 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.783 -11.110 0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.322 -12.708 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.299 -13.081 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.014 -13.563 -1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.095 -11.254 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.459 -10.870 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.477 -13.262 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.979 -11.666 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.847 -12.996 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.673 -11.668 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.186 -13.215 -1.728 1.00 0.00 H new ATOM 1530 N LYS A 98 10.016 -13.045 0.217 1.00 0.00 N ATOM 1531 CA LYS A 98 9.266 -14.215 0.681 1.00 0.00 C ATOM 1532 C LYS A 98 8.005 -14.547 -0.104 1.00 0.00 C ATOM 1533 O LYS A 98 7.555 -15.685 -0.013 1.00 0.00 O ATOM 1534 CB LYS A 98 8.930 -14.037 2.172 1.00 0.00 C ATOM 1535 CG LYS A 98 10.148 -14.336 3.058 1.00 0.00 C ATOM 1536 CD LYS A 98 10.475 -15.843 3.111 1.00 0.00 C ATOM 1537 CE LYS A 98 11.970 -16.076 3.344 1.00 0.00 C ATOM 1538 NZ LYS A 98 12.377 -15.664 4.697 1.00 0.00 N ATOM 0 H LYS A 98 9.597 -12.154 0.482 1.00 0.00 H new ATOM 0 HA LYS A 98 9.922 -15.069 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.589 -13.017 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.109 -14.700 2.444 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.013 -13.791 2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.959 -13.971 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.902 -16.315 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.171 -16.317 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.201 -17.131 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.545 -15.519 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.395 -15.836 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.178 -14.651 4.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.845 -16.214 5.402 1.00 0.00 H new ATOM 1552 N SER A 99 7.419 -13.606 -0.845 1.00 0.00 N ATOM 1553 CA SER A 99 6.194 -13.879 -1.601 1.00 0.00 C ATOM 1554 C SER A 99 6.236 -13.266 -3.011 1.00 0.00 C ATOM 1555 O SER A 99 5.380 -13.588 -3.835 1.00 0.00 O ATOM 1556 CB SER A 99 4.987 -13.511 -0.716 1.00 0.00 C ATOM 1557 OG SER A 99 3.716 -13.828 -1.262 1.00 0.00 O ATOM 0 H SER A 99 7.770 -12.653 -0.938 1.00 0.00 H new ATOM 0 HA SER A 99 6.091 -14.941 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.090 -14.021 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.020 -12.441 -0.512 1.00 0.00 H new ATOM 0 HG SER A 99 3.807 -14.005 -2.222 1.00 0.00 H new ATOM 1563 N GLY A 100 7.231 -12.420 -3.315 1.00 0.00 N ATOM 1564 CA GLY A 100 7.406 -11.740 -4.600 1.00 0.00 C ATOM 1565 C GLY A 100 6.161 -10.986 -5.048 1.00 0.00 C ATOM 1566 O GLY A 100 5.954 -10.805 -6.239 1.00 0.00 O ATOM 0 H GLY A 100 7.962 -12.184 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.240 -11.042 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.673 -12.474 -5.360 1.00 0.00 H new ATOM 1570 N VAL A 101 5.350 -10.553 -4.085 1.00 0.00 N ATOM 1571 CA VAL A 101 4.242 -9.634 -4.214 1.00 0.00 C ATOM 1572 C VAL A 101 4.743 -8.388 -4.908 1.00 0.00 C ATOM 1573 O VAL A 101 5.747 -7.851 -4.439 1.00 0.00 O ATOM 1574 CB VAL A 101 3.717 -9.267 -2.821 1.00 0.00 C ATOM 1575 CG1 VAL A 101 2.362 -8.575 -2.909 1.00 0.00 C ATOM 1576 CG2 VAL A 101 3.643 -10.444 -1.854 1.00 0.00 C ATOM 0 H VAL A 101 5.468 -10.866 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 101 3.436 -10.090 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 101 4.454 -8.577 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.015 -8.327 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.457 -7.662 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.644 -9.241 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.262 -10.101 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.976 -11.205 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.638 -10.868 -1.720 1.00 0.00 H new ATOM 1586 N VAL A 102 4.050 -7.912 -5.938 1.00 0.00 N ATOM 1587 CA VAL A 102 4.375 -6.656 -6.592 1.00 0.00 C ATOM 1588 C VAL A 102 3.139 -5.766 -6.579 1.00 0.00 C ATOM 1589 O VAL A 102 2.003 -6.249 -6.510 1.00 0.00 O ATOM 1590 CB VAL A 102 4.956 -6.908 -8.000 1.00 0.00 C ATOM 1591 CG1 VAL A 102 5.898 -8.118 -8.076 1.00 0.00 C ATOM 1592 CG2 VAL A 102 3.927 -6.965 -9.137 1.00 0.00 C ATOM 0 H VAL A 102 3.245 -8.391 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 102 5.160 -6.127 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 102 5.546 -6.007 -8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.265 -8.230 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.741 -7.966 -7.402 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.358 -9.019 -7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.439 -7.146 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.219 -7.772 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.391 -6.017 -9.190 1.00 0.00 H new ATOM 1602 N LEU A 103 3.351 -4.456 -6.562 1.00 0.00 N ATOM 1603 CA LEU A 103 2.312 -3.471 -6.782 1.00 0.00 C ATOM 1604 C LEU A 103 1.891 -3.578 -8.229 1.00 0.00 C ATOM 1605 O LEU A 103 2.744 -3.705 -9.098 1.00 0.00 O ATOM 1606 CB LEU A 103 2.909 -2.085 -6.568 1.00 0.00 C ATOM 1607 CG LEU A 103 3.219 -1.713 -5.107 1.00 0.00 C ATOM 1608 CD1 LEU A 103 3.214 -0.186 -5.019 1.00 0.00 C ATOM 1609 CD2 LEU A 103 2.250 -2.222 -4.035 1.00 0.00 C ATOM 0 H LEU A 103 4.269 -4.046 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 103 1.471 -3.632 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.830 -2.013 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.219 -1.345 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 103 4.171 -2.196 -4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.430 0.120 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.974 0.219 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.234 0.192 -5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.586 -1.889 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.252 -1.829 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.221 -3.311 -4.058 1.00 0.00 H new ATOM 1621 N HIS A 104 0.601 -3.460 -8.489 1.00 0.00 N ATOM 1622 CA HIS A 104 0.051 -3.514 -9.842 1.00 0.00 C ATOM 1623 C HIS A 104 -1.264 -2.735 -9.960 1.00 0.00 C ATOM 1624 O HIS A 104 -1.544 -2.198 -11.033 1.00 0.00 O ATOM 1625 CB HIS A 104 -0.184 -4.984 -10.216 1.00 0.00 C ATOM 1626 CG HIS A 104 0.863 -5.710 -11.026 1.00 0.00 C ATOM 1627 ND1 HIS A 104 1.744 -5.215 -11.966 1.00 0.00 N ATOM 1628 CD2 HIS A 104 1.004 -7.069 -11.008 1.00 0.00 C ATOM 1629 CE1 HIS A 104 2.397 -6.264 -12.499 1.00 0.00 C ATOM 1630 NE2 HIS A 104 1.953 -7.420 -11.971 1.00 0.00 N ATOM 0 H HIS A 104 -0.104 -3.323 -7.765 1.00 0.00 H new ATOM 0 HA HIS A 104 0.765 -3.050 -10.523 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.327 -5.540 -9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.122 -5.037 -10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 104 0.474 -7.753 -10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.171 -6.189 -13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 104 2.250 -8.363 -12.223 1.00 0.00 H new ATOM 1638 N ARG A 105 -2.083 -2.642 -8.902 1.00 0.00 N ATOM 1639 CA ARG A 105 -3.353 -1.927 -8.970 1.00 0.00 C ATOM 1640 C ARG A 105 -3.742 -1.373 -7.603 1.00 0.00 C ATOM 1641 O ARG A 105 -3.506 -2.025 -6.594 1.00 0.00 O ATOM 1642 CB ARG A 105 -4.434 -2.887 -9.489 1.00 0.00 C ATOM 1643 CG ARG A 105 -5.655 -2.146 -10.049 1.00 0.00 C ATOM 1644 CD ARG A 105 -5.355 -1.671 -11.472 1.00 0.00 C ATOM 1645 NE ARG A 105 -6.447 -0.885 -12.062 1.00 0.00 N ATOM 1646 CZ ARG A 105 -6.294 0.048 -13.010 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.120 0.238 -13.610 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -7.342 0.789 -13.352 1.00 0.00 N ATOM 0 H ARG A 105 -1.883 -3.055 -7.991 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.254 -1.081 -9.650 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.009 -3.521 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -4.751 -3.544 -8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.524 -2.804 -10.049 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.900 -1.295 -9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -4.446 -1.069 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.157 -2.537 -12.103 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.393 -1.063 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.316 -0.333 -13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -5.025 0.954 -14.330 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.242 0.642 -12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.247 1.505 -14.072 1.00 0.00 H new ATOM 1662 N ALA A 106 -4.339 -0.188 -7.551 1.00 0.00 N ATOM 1663 CA ALA A 106 -4.652 0.514 -6.312 1.00 0.00 C ATOM 1664 C ALA A 106 -6.166 0.594 -6.124 1.00 0.00 C ATOM 1665 O ALA A 106 -6.837 1.193 -6.964 1.00 0.00 O ATOM 1666 CB ALA A 106 -4.050 1.914 -6.396 1.00 0.00 C ATOM 0 H ALA A 106 -4.625 0.322 -8.387 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.235 -0.019 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.271 2.461 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.970 1.839 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.479 2.444 -7.247 1.00 0.00 H new ATOM 1672 N VAL A 107 -6.718 -0.024 -5.073 1.00 0.00 N ATOM 1673 CA VAL A 107 -8.165 -0.030 -4.814 1.00 0.00 C ATOM 1674 C VAL A 107 -8.646 1.398 -4.534 1.00 0.00 C ATOM 1675 O VAL A 107 -8.224 1.984 -3.546 1.00 0.00 O ATOM 1676 CB VAL A 107 -8.518 -0.987 -3.664 1.00 0.00 C ATOM 1677 CG1 VAL A 107 -10.037 -1.069 -3.470 1.00 0.00 C ATOM 1678 CG2 VAL A 107 -8.017 -2.404 -3.969 1.00 0.00 C ATOM 0 H VAL A 107 -6.175 -0.535 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.683 -0.398 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 107 -8.042 -0.598 -2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.263 -1.752 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.428 -0.079 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.502 -1.435 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.276 -3.067 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.484 -2.766 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.934 -2.388 -4.095 1.00 0.00 H new ATOM 1688 N PRO A 108 -9.531 1.976 -5.358 1.00 0.00 N ATOM 1689 CA PRO A 108 -10.118 3.270 -5.086 1.00 0.00 C ATOM 1690 C PRO A 108 -11.203 3.222 -4.009 1.00 0.00 C ATOM 1691 O PRO A 108 -12.314 2.751 -4.261 1.00 0.00 O ATOM 1692 CB PRO A 108 -10.639 3.753 -6.429 1.00 0.00 C ATOM 1693 CG PRO A 108 -11.032 2.450 -7.137 1.00 0.00 C ATOM 1694 CD PRO A 108 -10.087 1.404 -6.570 1.00 0.00 C ATOM 0 HA PRO A 108 -9.384 3.960 -4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -11.491 4.422 -6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.877 4.300 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.073 2.191 -6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.923 2.538 -8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.617 0.476 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -9.299 1.163 -7.284 1.00 0.00 H new ATOM 1702 N SER A 109 -10.902 3.773 -2.835 1.00 0.00 N ATOM 1703 CA SER A 109 -11.866 4.009 -1.762 1.00 0.00 C ATOM 1704 C SER A 109 -12.529 5.390 -1.887 1.00 0.00 C ATOM 1705 O SER A 109 -13.662 5.571 -1.437 1.00 0.00 O ATOM 1706 CB SER A 109 -11.143 3.887 -0.417 1.00 0.00 C ATOM 1707 OG SER A 109 -12.027 3.395 0.570 1.00 0.00 O ATOM 0 H SER A 109 -9.957 4.075 -2.597 1.00 0.00 H new ATOM 0 HA SER A 109 -12.659 3.264 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.288 3.219 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.754 4.860 -0.115 1.00 0.00 H new ATOM 0 HG SER A 109 -11.866 2.438 0.706 1.00 0.00 H new ATOM 1713 N GLY A 110 -11.855 6.344 -2.535 1.00 0.00 N ATOM 1714 CA GLY A 110 -12.261 7.740 -2.649 1.00 0.00 C ATOM 1715 C GLY A 110 -11.411 8.621 -1.731 1.00 0.00 C ATOM 1716 O GLY A 110 -10.784 8.105 -0.808 1.00 0.00 O ATOM 0 H GLY A 110 -10.975 6.152 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.156 8.072 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.314 7.841 -2.387 1.00 0.00 H new