USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 797 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 115 THR OG1 : rot 93:sc= -2.11! USER MOD Set 1.2: A 116 ASN : amide:sc= -0.512 K(o=-2.6,f=-3.6) USER MOD Set 2.1: A 68 GLN :FLIP amide:sc= -0.0247 F(o=-5.2!,f=-3.2) USER MOD Set 2.2: A 71 SER OG : rot -44:sc= -3.19! USER MOD Single : A 33 GLN :FLIP amide:sc= -0.573 F(o=-2.9!,f=-0.57) USER MOD Single : A 42 THR OG1 : rot -45:sc= -4.04! USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -159:sc= -4.81! (180deg=-6.07!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 78:sc= -6.88! USER MOD Single : A 65 ASN :FLIP amide:sc= -0.878 F(o=-3.3!,f=-0.88) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.504 F(o=-3.2!,f=-0.5) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0244 (180deg=-0.251) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN :FLIP amide:sc= 0.00739 F(o=-2.4!,f=0.0074) USER MOD Single : A 81 ASN : amide:sc= -1.55 K(o=-1.5,f=-4.9!) USER MOD Single : A 83 HIS :FLIP no HE2:sc= -2.15 F(o=-3.8,f=-2.1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -3.08! C(o=-3.1!,f=-8.2!) USER MOD Single : A 90 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.048) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 98 TYR OH : rot 67:sc= 1.11 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0184 (180deg=-0.253) USER MOD Single : A 103 HIS : no HD1:sc= -0.431 X(o=-0.43,f=0.0091) USER MOD Single : A 109 ASN : amide:sc= -1.86 K(o=-1.9,f=-4.7!) USER MOD Single : A 114 ASN : amide:sc= -2.09 K(o=-2.1,f=-4.5!) USER MOD Single : A 117 HIS : no HD1:sc= 0.0637 K(o=0.064,f=-1.1) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.073) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 62:sc= -1.67! USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.37) USER MOD Single : A 132 LYS NZ :NH3+ 165:sc= -0.0676 (180deg=-0.365) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -4.848 -2.976 -14.414 1.00 0.00 N ATOM 105 CA GLN A 33 -5.667 -1.889 -13.891 1.00 0.00 C ATOM 106 C GLN A 33 -5.120 -1.383 -12.559 1.00 0.00 C ATOM 107 O GLN A 33 -5.220 -0.196 -12.249 1.00 0.00 O ATOM 108 CB GLN A 33 -7.117 -2.349 -13.721 1.00 0.00 C ATOM 109 CG GLN A 33 -7.781 -2.769 -15.024 1.00 0.00 C ATOM 110 CD GLN A 33 -7.965 -1.622 -16.005 1.00 0.00 C ATOM 111 OE1 GLN A 33 -7.634 -0.405 -15.581 1.00 0.00 O flip ATOM 112 NE2 GLN A 33 -8.410 -1.827 -17.134 1.00 0.00 N flip ATOM 0 HA GLN A 33 -5.636 -1.069 -14.608 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.144 -3.186 -13.023 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.695 -1.541 -13.273 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.180 -3.547 -15.495 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.754 -3.208 -14.802 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.652 -2.775 -17.422 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.536 -1.049 -17.781 1.00 0.00 H new ATOM 121 N LEU A 34 -4.553 -2.292 -11.770 1.00 0.00 N ATOM 122 CA LEU A 34 -4.000 -1.939 -10.464 1.00 0.00 C ATOM 123 C LEU A 34 -2.947 -0.839 -10.579 1.00 0.00 C ATOM 124 O LEU A 34 -2.997 0.156 -9.856 1.00 0.00 O ATOM 125 CB LEU A 34 -3.377 -3.171 -9.798 1.00 0.00 C ATOM 126 CG LEU A 34 -4.334 -4.340 -9.542 1.00 0.00 C ATOM 127 CD1 LEU A 34 -3.589 -5.510 -8.913 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.488 -3.902 -8.653 1.00 0.00 C ATOM 0 H LEU A 34 -4.464 -3.279 -12.012 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.822 -1.567 -9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.558 -3.525 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.941 -2.866 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.743 -4.666 -10.498 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.283 -6.332 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.797 -5.841 -9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.152 -5.196 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.157 -4.746 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.098 -3.549 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.037 -3.096 -9.140 1.00 0.00 H new ATOM 140 N ARG A 35 -1.987 -1.029 -11.481 1.00 0.00 N ATOM 141 CA ARG A 35 -0.917 -0.055 -11.673 1.00 0.00 C ATOM 142 C ARG A 35 -1.458 1.282 -12.176 1.00 0.00 C ATOM 143 O ARG A 35 -1.130 2.334 -11.632 1.00 0.00 O ATOM 144 CB ARG A 35 0.134 -0.600 -12.645 1.00 0.00 C ATOM 145 CG ARG A 35 -0.424 -0.977 -14.006 1.00 0.00 C ATOM 146 CD ARG A 35 0.661 -1.521 -14.922 1.00 0.00 C ATOM 147 NE ARG A 35 0.138 -1.887 -16.236 1.00 0.00 N ATOM 148 CZ ARG A 35 0.887 -2.386 -17.214 1.00 0.00 C ATOM 149 NH1 ARG A 35 2.186 -2.577 -17.030 1.00 0.00 N ATOM 150 NH2 ARG A 35 0.335 -2.695 -18.380 1.00 0.00 N ATOM 0 H ARG A 35 -1.929 -1.846 -12.089 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.450 0.117 -10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.915 0.149 -12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.606 -1.477 -12.201 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.208 -1.725 -13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.886 -0.103 -14.466 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.444 -0.772 -15.040 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.121 -2.394 -14.459 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.857 -1.752 -16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.614 -2.341 -16.135 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.757 -2.960 -17.783 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.664 -2.550 -18.526 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.910 -3.078 -19.131 1.00 0.00 H new ATOM 164 N VAL A 36 -2.287 1.236 -13.214 1.00 0.00 N ATOM 165 CA VAL A 36 -2.867 2.449 -13.782 1.00 0.00 C ATOM 166 C VAL A 36 -3.659 3.223 -12.732 1.00 0.00 C ATOM 167 O VAL A 36 -3.627 4.452 -12.694 1.00 0.00 O ATOM 168 CB VAL A 36 -3.790 2.125 -14.973 1.00 0.00 C ATOM 169 CG1 VAL A 36 -4.410 3.396 -15.535 1.00 0.00 C ATOM 170 CG2 VAL A 36 -3.024 1.377 -16.053 1.00 0.00 C ATOM 0 H VAL A 36 -2.572 0.374 -13.679 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.038 3.064 -14.132 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.596 1.483 -14.617 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.058 3.144 -16.375 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.996 3.889 -14.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.621 4.067 -15.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.691 1.157 -16.886 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.196 1.993 -16.405 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.635 0.445 -15.644 1.00 0.00 H new ATOM 180 N TRP A 37 -4.372 2.488 -11.886 1.00 0.00 N ATOM 181 CA TRP A 37 -5.182 3.089 -10.833 1.00 0.00 C ATOM 182 C TRP A 37 -4.326 3.869 -9.833 1.00 0.00 C ATOM 183 O TRP A 37 -4.440 5.091 -9.730 1.00 0.00 O ATOM 184 CB TRP A 37 -5.998 1.988 -10.123 1.00 0.00 C ATOM 185 CG TRP A 37 -6.223 2.205 -8.650 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.394 3.394 -7.996 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.313 1.186 -7.647 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.538 3.176 -6.650 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.510 1.829 -6.411 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.238 -0.210 -7.673 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.633 1.128 -5.215 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.364 -0.906 -6.486 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.561 -0.236 -5.271 1.00 0.00 C ATOM 0 H TRP A 37 -4.405 1.469 -11.910 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.865 3.806 -11.289 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.968 1.903 -10.614 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.487 1.035 -10.260 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.413 4.364 -8.471 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.648 3.901 -5.941 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.084 -0.735 -8.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.780 1.643 -4.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.310 -1.985 -6.495 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.658 -0.809 -4.361 1.00 0.00 H new ATOM 204 N ILE A 38 -3.500 3.155 -9.078 1.00 0.00 N ATOM 205 CA ILE A 38 -2.660 3.776 -8.061 1.00 0.00 C ATOM 206 C ILE A 38 -1.778 4.879 -8.644 1.00 0.00 C ATOM 207 O ILE A 38 -1.709 5.977 -8.092 1.00 0.00 O ATOM 208 CB ILE A 38 -1.779 2.725 -7.362 1.00 0.00 C ATOM 209 CG1 ILE A 38 -2.651 1.610 -6.779 1.00 0.00 C ATOM 210 CG2 ILE A 38 -0.931 3.373 -6.275 1.00 0.00 C ATOM 211 CD1 ILE A 38 -1.858 0.486 -6.147 1.00 0.00 C ATOM 0 H ILE A 38 -3.394 2.143 -9.151 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.330 4.228 -7.330 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.105 2.288 -8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.319 2.037 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.279 1.200 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.315 2.614 -5.793 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.288 4.133 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.582 3.837 -5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.542 -0.267 -5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.209 0.032 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.251 0.882 -5.333 1.00 0.00 H new ATOM 223 N GLU A 39 -1.113 4.593 -9.759 1.00 0.00 N ATOM 224 CA GLU A 39 -0.250 5.582 -10.398 1.00 0.00 C ATOM 225 C GLU A 39 -1.037 6.844 -10.735 1.00 0.00 C ATOM 226 O GLU A 39 -0.566 7.960 -10.516 1.00 0.00 O ATOM 227 CB GLU A 39 0.389 5.008 -11.664 1.00 0.00 C ATOM 228 CG GLU A 39 1.364 3.874 -11.394 1.00 0.00 C ATOM 229 CD GLU A 39 1.979 3.318 -12.664 1.00 0.00 C ATOM 230 OE1 GLU A 39 1.220 2.835 -13.529 1.00 0.00 O ATOM 231 OE2 GLU A 39 3.221 3.368 -12.793 1.00 0.00 O ATOM 0 H GLU A 39 -1.154 3.692 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 39 0.543 5.841 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.398 4.649 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.911 5.807 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.157 4.231 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.847 3.074 -10.865 1.00 0.00 H new ATOM 238 N GLY A 40 -2.243 6.657 -11.261 1.00 0.00 N ATOM 239 CA GLY A 40 -3.087 7.784 -11.611 1.00 0.00 C ATOM 240 C GLY A 40 -3.504 8.592 -10.397 1.00 0.00 C ATOM 241 O GLY A 40 -3.691 9.806 -10.484 1.00 0.00 O ATOM 0 H GLY A 40 -2.652 5.742 -11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.555 8.430 -12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.977 7.422 -12.127 1.00 0.00 H new ATOM 245 N ALA A 41 -3.657 7.909 -9.265 1.00 0.00 N ATOM 246 CA ALA A 41 -4.063 8.553 -8.019 1.00 0.00 C ATOM 247 C ALA A 41 -3.210 9.780 -7.719 1.00 0.00 C ATOM 248 O ALA A 41 -3.710 10.786 -7.216 1.00 0.00 O ATOM 249 CB ALA A 41 -3.980 7.565 -6.864 1.00 0.00 C ATOM 0 H ALA A 41 -3.505 6.904 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.095 8.883 -8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.285 8.058 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.640 6.720 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.955 7.209 -6.763 1.00 0.00 H new ATOM 255 N THR A 42 -1.919 9.688 -8.017 1.00 0.00 N ATOM 256 CA THR A 42 -0.999 10.790 -7.764 1.00 0.00 C ATOM 257 C THR A 42 -0.235 11.181 -9.024 1.00 0.00 C ATOM 258 O THR A 42 -0.339 12.313 -9.499 1.00 0.00 O ATOM 259 CB THR A 42 0.016 10.409 -6.672 1.00 0.00 C ATOM 260 OG1 THR A 42 0.800 9.304 -7.119 1.00 0.00 O ATOM 261 CG2 THR A 42 -0.693 10.038 -5.379 1.00 0.00 C ATOM 0 H THR A 42 -1.487 8.863 -8.433 1.00 0.00 H new ATOM 0 HA THR A 42 -1.600 11.638 -7.435 1.00 0.00 H new ATOM 0 HB THR A 42 0.658 11.268 -6.480 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.215 8.630 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.045 9.773 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.281 10.887 -5.030 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.352 9.188 -5.556 1.00 0.00 H new ATOM 269 N GLY A 43 0.536 10.239 -9.559 1.00 0.00 N ATOM 270 CA GLY A 43 1.310 10.504 -10.756 1.00 0.00 C ATOM 271 C GLY A 43 2.577 9.674 -10.820 1.00 0.00 C ATOM 272 O GLY A 43 2.956 9.187 -11.885 1.00 0.00 O ATOM 0 H GLY A 43 0.638 9.296 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.698 10.297 -11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.570 11.562 -10.791 1.00 0.00 H new ATOM 276 N ARG A 44 3.240 9.524 -9.675 1.00 0.00 N ATOM 277 CA ARG A 44 4.480 8.758 -9.601 1.00 0.00 C ATOM 278 C ARG A 44 4.303 7.325 -10.107 1.00 0.00 C ATOM 279 O ARG A 44 3.285 6.680 -9.857 1.00 0.00 O ATOM 280 CB ARG A 44 5.045 8.775 -8.177 1.00 0.00 C ATOM 281 CG ARG A 44 3.982 8.757 -7.102 1.00 0.00 C ATOM 282 CD ARG A 44 3.053 7.583 -7.293 1.00 0.00 C ATOM 283 NE ARG A 44 2.096 7.445 -6.199 1.00 0.00 N ATOM 284 CZ ARG A 44 1.055 6.622 -6.236 1.00 0.00 C ATOM 285 NH1 ARG A 44 0.842 5.867 -7.305 1.00 0.00 N ATOM 286 NH2 ARG A 44 0.226 6.551 -5.204 1.00 0.00 N ATOM 0 H ARG A 44 2.938 9.923 -8.786 1.00 0.00 H new ATOM 0 HA ARG A 44 5.200 9.241 -10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.698 7.913 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.662 9.665 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.451 8.700 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.413 9.686 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.512 7.700 -8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.640 6.668 -7.376 1.00 0.00 H new ATOM 0 HE ARG A 44 2.235 8.011 -5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.478 5.918 -8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.042 5.235 -7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.387 7.129 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.573 5.918 -5.234 1.00 0.00 H new ATOM 300 N ARG A 45 5.303 6.840 -10.834 1.00 0.00 N ATOM 301 CA ARG A 45 5.270 5.490 -11.386 1.00 0.00 C ATOM 302 C ARG A 45 5.781 4.477 -10.367 1.00 0.00 C ATOM 303 O ARG A 45 6.767 4.727 -9.673 1.00 0.00 O ATOM 304 CB ARG A 45 6.111 5.418 -12.661 1.00 0.00 C ATOM 305 CG ARG A 45 5.661 6.383 -13.747 1.00 0.00 C ATOM 306 CD ARG A 45 4.240 6.091 -14.205 1.00 0.00 C ATOM 307 NE ARG A 45 3.799 7.018 -15.244 1.00 0.00 N ATOM 308 CZ ARG A 45 2.596 6.974 -15.810 1.00 0.00 C ATOM 309 NH1 ARG A 45 1.718 6.051 -15.439 1.00 0.00 N ATOM 310 NH2 ARG A 45 2.271 7.854 -16.747 1.00 0.00 N ATOM 0 H ARG A 45 6.150 7.364 -11.056 1.00 0.00 H new ATOM 0 HA ARG A 45 4.236 5.246 -11.628 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.151 5.626 -12.411 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.074 4.402 -13.053 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.720 7.405 -13.373 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.339 6.315 -14.598 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.183 5.070 -14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.564 6.154 -13.352 1.00 0.00 H new ATOM 0 HE ARG A 45 4.450 7.740 -15.553 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.965 5.373 -14.718 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.796 6.020 -15.875 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.944 8.565 -17.034 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.348 7.820 -17.181 1.00 0.00 H new ATOM 324 N ILE A 46 5.110 3.331 -10.284 1.00 0.00 N ATOM 325 CA ILE A 46 5.508 2.283 -9.350 1.00 0.00 C ATOM 326 C ILE A 46 6.944 1.837 -9.613 1.00 0.00 C ATOM 327 O ILE A 46 7.774 1.815 -8.704 1.00 0.00 O ATOM 328 CB ILE A 46 4.570 1.061 -9.443 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.144 1.450 -9.039 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.085 -0.072 -8.566 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.145 0.321 -9.166 1.00 0.00 C ATOM 0 H ILE A 46 4.292 3.106 -10.850 1.00 0.00 H new ATOM 0 HA ILE A 46 5.439 2.703 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 46 4.552 0.715 -10.476 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.152 1.802 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.816 2.285 -9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.412 -0.926 -8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.082 -0.364 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.130 0.262 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.159 0.672 -8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.107 -0.017 -10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.448 -0.507 -8.525 1.00 0.00 H new ATOM 343 N GLY A 47 7.231 1.489 -10.864 1.00 0.00 N ATOM 344 CA GLY A 47 8.567 1.057 -11.230 1.00 0.00 C ATOM 345 C GLY A 47 8.554 -0.075 -12.237 1.00 0.00 C ATOM 346 O GLY A 47 7.652 -0.162 -13.070 1.00 0.00 O ATOM 0 H GLY A 47 6.560 1.499 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.118 1.901 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.100 0.737 -10.335 1.00 0.00 H new ATOM 350 N ASP A 48 9.552 -0.950 -12.155 1.00 0.00 N ATOM 351 CA ASP A 48 9.645 -2.087 -13.063 1.00 0.00 C ATOM 352 C ASP A 48 8.763 -3.234 -12.578 1.00 0.00 C ATOM 353 O ASP A 48 7.875 -3.694 -13.294 1.00 0.00 O ATOM 354 CB ASP A 48 11.096 -2.558 -13.181 1.00 0.00 C ATOM 355 CG ASP A 48 12.014 -1.477 -13.715 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.118 -0.413 -13.068 1.00 0.00 O ATOM 357 OD2 ASP A 48 12.630 -1.694 -14.779 1.00 0.00 O ATOM 0 H ASP A 48 10.306 -0.893 -11.470 1.00 0.00 H new ATOM 0 HA ASP A 48 9.296 -1.769 -14.045 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.451 -2.881 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.141 -3.426 -13.839 1.00 0.00 H new ATOM 362 N ASN A 49 9.013 -3.681 -11.351 1.00 0.00 N ATOM 363 CA ASN A 49 8.242 -4.767 -10.758 1.00 0.00 C ATOM 364 C ASN A 49 7.029 -4.219 -10.012 1.00 0.00 C ATOM 365 O ASN A 49 7.135 -3.244 -9.269 1.00 0.00 O ATOM 366 CB ASN A 49 9.115 -5.583 -9.806 1.00 0.00 C ATOM 367 CG ASN A 49 10.311 -6.201 -10.503 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.162 -6.973 -11.451 1.00 0.00 O ATOM 369 ND2 ASN A 49 11.506 -5.865 -10.033 1.00 0.00 N ATOM 0 H ASN A 49 9.745 -3.307 -10.748 1.00 0.00 H new ATOM 0 HA ASN A 49 7.894 -5.416 -11.561 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.462 -4.942 -8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.514 -6.372 -9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.349 -6.250 -10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.582 -5.221 -9.245 1.00 0.00 H new ATOM 376 N PHE A 50 5.878 -4.850 -10.215 1.00 0.00 N ATOM 377 CA PHE A 50 4.647 -4.423 -9.562 1.00 0.00 C ATOM 378 C PHE A 50 4.710 -4.661 -8.056 1.00 0.00 C ATOM 379 O PHE A 50 4.403 -3.771 -7.264 1.00 0.00 O ATOM 380 CB PHE A 50 3.447 -5.162 -10.159 1.00 0.00 C ATOM 381 CG PHE A 50 2.131 -4.784 -9.536 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.778 -3.452 -9.382 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.248 -5.761 -9.107 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.569 -3.104 -8.811 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.038 -5.419 -8.536 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.302 -4.088 -8.388 1.00 0.00 C ATOM 0 H PHE A 50 5.772 -5.659 -10.827 1.00 0.00 H new ATOM 0 HA PHE A 50 4.530 -3.353 -9.733 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.403 -4.960 -11.229 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.598 -6.235 -10.043 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.455 -2.678 -9.712 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.509 -6.803 -9.220 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.306 -2.063 -8.696 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.641 -6.191 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.248 -3.818 -7.942 1.00 0.00 H new ATOM 396 N MET A 51 5.103 -5.871 -7.669 1.00 0.00 N ATOM 397 CA MET A 51 5.196 -6.232 -6.256 1.00 0.00 C ATOM 398 C MET A 51 6.332 -5.480 -5.574 1.00 0.00 C ATOM 399 O MET A 51 6.147 -4.879 -4.515 1.00 0.00 O ATOM 400 CB MET A 51 5.419 -7.738 -6.115 1.00 0.00 C ATOM 401 CG MET A 51 4.549 -8.562 -7.046 1.00 0.00 C ATOM 402 SD MET A 51 2.788 -8.271 -6.803 1.00 0.00 S ATOM 403 CE MET A 51 2.590 -8.828 -5.116 1.00 0.00 C ATOM 0 H MET A 51 5.362 -6.618 -8.313 1.00 0.00 H new ATOM 0 HA MET A 51 4.259 -5.955 -5.773 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.467 -7.964 -6.313 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.219 -8.033 -5.085 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.811 -8.331 -8.079 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.762 -9.620 -6.892 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.543 -9.068 -4.932 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.200 -9.717 -4.952 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.907 -8.040 -4.433 1.00 0.00 H new ATOM 413 N ASP A 52 7.509 -5.524 -6.189 1.00 0.00 N ATOM 414 CA ASP A 52 8.687 -4.852 -5.646 1.00 0.00 C ATOM 415 C ASP A 52 8.422 -3.363 -5.453 1.00 0.00 C ATOM 416 O ASP A 52 8.820 -2.778 -4.445 1.00 0.00 O ATOM 417 CB ASP A 52 9.888 -5.056 -6.573 1.00 0.00 C ATOM 418 CG ASP A 52 11.168 -4.460 -6.016 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.137 -3.929 -4.887 1.00 0.00 O ATOM 420 OD2 ASP A 52 12.204 -4.529 -6.711 1.00 0.00 O ATOM 0 H ASP A 52 7.674 -6.019 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 52 8.911 -5.290 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.033 -6.123 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.674 -4.605 -7.542 1.00 0.00 H new ATOM 425 N GLY A 53 7.748 -2.755 -6.422 1.00 0.00 N ATOM 426 CA GLY A 53 7.443 -1.339 -6.335 1.00 0.00 C ATOM 427 C GLY A 53 6.578 -1.004 -5.134 1.00 0.00 C ATOM 428 O GLY A 53 6.841 -0.035 -4.425 1.00 0.00 O ATOM 0 H GLY A 53 7.407 -3.216 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.373 -0.773 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.933 -1.024 -7.245 1.00 0.00 H new ATOM 432 N LEU A 54 5.545 -1.811 -4.908 1.00 0.00 N ATOM 433 CA LEU A 54 4.634 -1.602 -3.786 1.00 0.00 C ATOM 434 C LEU A 54 5.368 -1.702 -2.453 1.00 0.00 C ATOM 435 O LEU A 54 4.954 -1.104 -1.460 1.00 0.00 O ATOM 436 CB LEU A 54 3.496 -2.624 -3.827 1.00 0.00 C ATOM 437 CG LEU A 54 2.623 -2.574 -5.083 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.546 -3.647 -5.026 1.00 0.00 C ATOM 439 CD2 LEU A 54 1.997 -1.198 -5.246 1.00 0.00 C ATOM 0 H LEU A 54 5.317 -2.618 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 54 4.220 -0.598 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.923 -3.623 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.860 -2.471 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 54 3.256 -2.767 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.935 -3.597 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.014 -4.629 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.917 -3.485 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.380 -1.183 -6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.378 -0.975 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.784 -0.448 -5.333 1.00 0.00 H new ATOM 451 N LYS A 55 6.450 -2.473 -2.437 1.00 0.00 N ATOM 452 CA LYS A 55 7.242 -2.672 -1.228 1.00 0.00 C ATOM 453 C LYS A 55 7.611 -1.347 -0.561 1.00 0.00 C ATOM 454 O LYS A 55 7.694 -1.269 0.665 1.00 0.00 O ATOM 455 CB LYS A 55 8.507 -3.469 -1.551 1.00 0.00 C ATOM 456 CG LYS A 55 8.225 -4.903 -1.977 1.00 0.00 C ATOM 457 CD LYS A 55 9.484 -5.612 -2.448 1.00 0.00 C ATOM 458 CE LYS A 55 10.586 -5.533 -1.414 1.00 0.00 C ATOM 459 NZ LYS A 55 11.792 -6.305 -1.821 1.00 0.00 N ATOM 0 H LYS A 55 6.801 -2.974 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 55 6.629 -3.235 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.054 -2.962 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.155 -3.479 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.791 -5.451 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.486 -4.905 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.257 -6.657 -2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.827 -5.165 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.860 -4.490 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.217 -5.913 -0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.521 -6.223 -1.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.538 -7.305 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.161 -5.926 -2.717 1.00 0.00 H new ATOM 473 N ASP A 56 7.835 -0.309 -1.363 1.00 0.00 N ATOM 474 CA ASP A 56 8.199 0.999 -0.823 1.00 0.00 C ATOM 475 C ASP A 56 7.159 1.481 0.189 1.00 0.00 C ATOM 476 O ASP A 56 7.493 2.169 1.154 1.00 0.00 O ATOM 477 CB ASP A 56 8.375 2.030 -1.944 1.00 0.00 C ATOM 478 CG ASP A 56 7.116 2.248 -2.764 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.105 1.563 -2.502 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.144 3.102 -3.673 1.00 0.00 O ATOM 0 H ASP A 56 7.772 -0.346 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 56 9.154 0.891 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.686 2.980 -1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.178 1.704 -2.605 1.00 0.00 H new ATOM 485 N GLY A 57 5.902 1.107 -0.033 1.00 0.00 N ATOM 486 CA GLY A 57 4.834 1.502 0.871 1.00 0.00 C ATOM 487 C GLY A 57 4.387 2.938 0.671 1.00 0.00 C ATOM 488 O GLY A 57 3.200 3.237 0.756 1.00 0.00 O ATOM 0 H GLY A 57 5.603 0.537 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.981 0.839 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.170 1.372 1.900 1.00 0.00 H new ATOM 492 N VAL A 58 5.344 3.824 0.420 1.00 0.00 N ATOM 493 CA VAL A 58 5.061 5.240 0.219 1.00 0.00 C ATOM 494 C VAL A 58 3.959 5.457 -0.806 1.00 0.00 C ATOM 495 O VAL A 58 3.005 6.182 -0.546 1.00 0.00 O ATOM 496 CB VAL A 58 6.320 5.989 -0.250 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.048 7.482 -0.359 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.479 5.717 0.694 1.00 0.00 C ATOM 0 H VAL A 58 6.333 3.583 0.350 1.00 0.00 H new ATOM 0 HA VAL A 58 4.732 5.631 1.182 1.00 0.00 H new ATOM 0 HB VAL A 58 6.592 5.624 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.951 7.993 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.247 7.654 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.750 7.870 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.363 6.254 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.218 6.054 1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.689 4.648 0.714 1.00 0.00 H new ATOM 508 N ILE A 59 4.096 4.833 -1.973 1.00 0.00 N ATOM 509 CA ILE A 59 3.103 4.974 -3.033 1.00 0.00 C ATOM 510 C ILE A 59 1.709 4.622 -2.530 1.00 0.00 C ATOM 511 O ILE A 59 0.782 5.421 -2.648 1.00 0.00 O ATOM 512 CB ILE A 59 3.451 4.093 -4.249 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.720 4.612 -4.931 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.287 4.046 -5.228 1.00 0.00 C ATOM 515 CD1 ILE A 59 5.151 3.794 -6.128 1.00 0.00 C ATOM 0 H ILE A 59 4.882 4.227 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 59 3.113 6.019 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 59 3.638 3.077 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.555 5.642 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.531 4.628 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.553 3.419 -6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.410 3.631 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.063 5.054 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.056 4.225 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.349 2.769 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.358 3.798 -6.876 1.00 0.00 H new ATOM 527 N LEU A 60 1.566 3.433 -1.952 1.00 0.00 N ATOM 528 CA LEU A 60 0.281 3.011 -1.417 1.00 0.00 C ATOM 529 C LEU A 60 -0.147 3.973 -0.321 1.00 0.00 C ATOM 530 O LEU A 60 -1.327 4.286 -0.174 1.00 0.00 O ATOM 531 CB LEU A 60 0.357 1.578 -0.888 1.00 0.00 C ATOM 532 CG LEU A 60 0.640 0.519 -1.956 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.652 -0.872 -1.340 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.389 0.602 -3.076 1.00 0.00 C ATOM 0 H LEU A 60 2.318 2.752 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.462 3.027 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.137 1.526 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.585 1.336 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 60 1.625 0.713 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.855 -1.611 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.428 -0.925 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.318 -1.078 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.172 -0.158 -3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.386 0.435 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.347 1.589 -3.537 1.00 0.00 H new ATOM 546 N CYS A 61 0.838 4.464 0.420 1.00 0.00 N ATOM 547 CA CYS A 61 0.600 5.427 1.481 1.00 0.00 C ATOM 548 C CYS A 61 0.080 6.727 0.879 1.00 0.00 C ATOM 549 O CYS A 61 -0.755 7.413 1.465 1.00 0.00 O ATOM 550 CB CYS A 61 1.892 5.670 2.269 1.00 0.00 C ATOM 551 SG CYS A 61 2.328 4.324 3.392 1.00 0.00 S ATOM 0 H CYS A 61 1.818 4.206 0.302 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.149 5.035 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.711 5.824 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.788 6.590 2.844 1.00 0.00 H new ATOM 0 HG CYS A 61 2.860 3.350 2.716 1.00 0.00 H new ATOM 557 N GLU A 62 0.581 7.044 -0.310 1.00 0.00 N ATOM 558 CA GLU A 62 0.182 8.242 -1.034 1.00 0.00 C ATOM 559 C GLU A 62 -1.254 8.113 -1.536 1.00 0.00 C ATOM 560 O GLU A 62 -2.039 9.058 -1.455 1.00 0.00 O ATOM 561 CB GLU A 62 1.138 8.469 -2.207 1.00 0.00 C ATOM 562 CG GLU A 62 2.550 8.822 -1.774 1.00 0.00 C ATOM 563 CD GLU A 62 3.466 9.112 -2.946 1.00 0.00 C ATOM 564 OE1 GLU A 62 3.653 8.211 -3.790 1.00 0.00 O ATOM 565 OE2 GLU A 62 3.996 10.241 -3.021 1.00 0.00 O ATOM 0 H GLU A 62 1.275 6.477 -0.797 1.00 0.00 H new ATOM 0 HA GLU A 62 0.229 9.097 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.168 7.569 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.747 9.270 -2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.518 9.693 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.963 7.999 -1.190 1.00 0.00 H new ATOM 572 N LEU A 63 -1.585 6.933 -2.049 1.00 0.00 N ATOM 573 CA LEU A 63 -2.922 6.662 -2.564 1.00 0.00 C ATOM 574 C LEU A 63 -3.955 6.665 -1.448 1.00 0.00 C ATOM 575 O LEU A 63 -4.958 7.377 -1.516 1.00 0.00 O ATOM 576 CB LEU A 63 -2.939 5.306 -3.269 1.00 0.00 C ATOM 577 CG LEU A 63 -4.331 4.741 -3.555 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.148 5.711 -4.396 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.224 3.392 -4.246 1.00 0.00 C ATOM 0 H LEU A 63 -0.941 6.145 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.178 7.452 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.400 5.397 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.391 4.589 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.845 4.603 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.134 5.287 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.256 6.655 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.640 5.888 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.223 3.004 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.688 3.507 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.684 2.696 -3.604 1.00 0.00 H new ATOM 591 N ILE A 64 -3.706 5.852 -0.432 1.00 0.00 N ATOM 592 CA ILE A 64 -4.615 5.737 0.703 1.00 0.00 C ATOM 593 C ILE A 64 -4.967 7.109 1.270 1.00 0.00 C ATOM 594 O ILE A 64 -6.066 7.309 1.785 1.00 0.00 O ATOM 595 CB ILE A 64 -4.024 4.851 1.817 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.081 4.552 2.878 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.808 5.513 2.445 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.263 3.761 2.358 1.00 0.00 C ATOM 0 H ILE A 64 -2.879 5.259 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.525 5.264 0.332 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.705 3.909 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.617 3.999 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.440 5.493 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.408 4.870 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.046 5.673 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.097 6.472 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.970 3.588 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.754 4.321 1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.917 2.804 1.968 1.00 0.00 H new ATOM 610 N ASN A 65 -4.034 8.056 1.161 1.00 0.00 N ATOM 611 CA ASN A 65 -4.263 9.412 1.653 1.00 0.00 C ATOM 612 C ASN A 65 -5.584 9.954 1.115 1.00 0.00 C ATOM 613 O ASN A 65 -6.342 10.603 1.835 1.00 0.00 O ATOM 614 CB ASN A 65 -3.113 10.338 1.240 1.00 0.00 C ATOM 615 CG ASN A 65 -1.821 10.065 1.992 1.00 0.00 C ATOM 616 OD1 ASN A 65 -1.869 9.170 2.975 1.00 0.00 O flip ATOM 617 ND2 ASN A 65 -0.786 10.664 1.699 1.00 0.00 N flip ATOM 0 H ASN A 65 -3.117 7.909 0.738 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.310 9.377 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.933 10.227 0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.411 11.373 1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.788 11.344 0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.073 10.481 2.217 1.00 0.00 H new ATOM 624 N LYS A 66 -5.855 9.672 -0.156 1.00 0.00 N ATOM 625 CA LYS A 66 -7.075 10.110 -0.797 1.00 0.00 C ATOM 626 C LYS A 66 -8.285 9.403 -0.198 1.00 0.00 C ATOM 627 O LYS A 66 -9.285 10.034 0.144 1.00 0.00 O ATOM 628 CB LYS A 66 -6.983 9.816 -2.287 1.00 0.00 C ATOM 629 CG LYS A 66 -5.859 10.556 -2.985 1.00 0.00 C ATOM 630 CD LYS A 66 -5.991 12.057 -2.797 1.00 0.00 C ATOM 631 CE LYS A 66 -7.189 12.613 -3.552 1.00 0.00 C ATOM 632 NZ LYS A 66 -7.328 14.084 -3.366 1.00 0.00 N ATOM 0 H LYS A 66 -5.234 9.136 -0.762 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.198 11.181 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.844 8.744 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.929 10.080 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.899 10.220 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.868 10.318 -4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.092 12.284 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.082 12.549 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.085 12.389 -4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -8.097 12.116 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.156 14.424 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.453 14.296 -2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.473 14.561 -3.716 1.00 0.00 H new ATOM 646 N LEU A 67 -8.178 8.085 -0.080 1.00 0.00 N ATOM 647 CA LEU A 67 -9.248 7.265 0.473 1.00 0.00 C ATOM 648 C LEU A 67 -9.576 7.681 1.904 1.00 0.00 C ATOM 649 O LEU A 67 -10.713 7.541 2.354 1.00 0.00 O ATOM 650 CB LEU A 67 -8.864 5.783 0.434 1.00 0.00 C ATOM 651 CG LEU A 67 -8.732 5.173 -0.966 1.00 0.00 C ATOM 652 CD1 LEU A 67 -7.514 5.723 -1.694 1.00 0.00 C ATOM 653 CD2 LEU A 67 -8.647 3.657 -0.876 1.00 0.00 C ATOM 0 H LEU A 67 -7.352 7.557 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.136 7.418 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.916 5.657 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.612 5.217 0.989 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.620 5.447 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.447 5.272 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.607 6.804 -1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.614 5.487 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.554 3.238 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.777 3.376 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.549 3.269 -0.403 1.00 0.00 H new ATOM 665 N GLN A 68 -8.576 8.191 2.615 1.00 0.00 N ATOM 666 CA GLN A 68 -8.763 8.624 3.993 1.00 0.00 C ATOM 667 C GLN A 68 -7.739 9.694 4.372 1.00 0.00 C ATOM 668 O GLN A 68 -6.540 9.529 4.148 1.00 0.00 O ATOM 669 CB GLN A 68 -8.649 7.435 4.948 1.00 0.00 C ATOM 670 CG GLN A 68 -8.990 7.784 6.387 1.00 0.00 C ATOM 671 CD GLN A 68 -8.764 6.633 7.352 1.00 0.00 C ATOM 672 OE1 GLN A 68 -8.253 5.515 6.845 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -9.039 6.750 8.546 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.628 8.314 2.259 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.762 9.053 4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.312 6.640 4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.633 7.042 4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.386 8.636 6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.033 8.095 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.430 7.625 8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.876 5.972 9.185 1.00 0.00 H new ATOM 682 N PRO A 69 -8.212 10.809 4.953 1.00 0.00 N ATOM 683 CA PRO A 69 -7.356 11.921 5.365 1.00 0.00 C ATOM 684 C PRO A 69 -6.649 11.678 6.695 1.00 0.00 C ATOM 685 O PRO A 69 -6.598 12.563 7.550 1.00 0.00 O ATOM 686 CB PRO A 69 -8.343 13.074 5.489 1.00 0.00 C ATOM 687 CG PRO A 69 -9.624 12.438 5.876 1.00 0.00 C ATOM 688 CD PRO A 69 -9.627 11.073 5.248 1.00 0.00 C ATOM 0 HA PRO A 69 -6.545 12.092 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.017 13.794 6.239 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.439 13.615 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.710 12.367 6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.471 13.028 5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.039 10.324 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.233 11.053 4.342 1.00 0.00 H new ATOM 696 N GLY A 70 -6.099 10.480 6.868 1.00 0.00 N ATOM 697 CA GLY A 70 -5.399 10.162 8.100 1.00 0.00 C ATOM 698 C GLY A 70 -4.954 8.716 8.163 1.00 0.00 C ATOM 699 O GLY A 70 -5.016 8.084 9.217 1.00 0.00 O ATOM 0 H GLY A 70 -6.125 9.727 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.528 10.810 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.050 10.375 8.948 1.00 0.00 H new ATOM 703 N SER A 71 -4.504 8.190 7.030 1.00 0.00 N ATOM 704 CA SER A 71 -4.047 6.809 6.955 1.00 0.00 C ATOM 705 C SER A 71 -2.562 6.699 7.284 1.00 0.00 C ATOM 706 O SER A 71 -2.152 5.840 8.065 1.00 0.00 O ATOM 707 CB SER A 71 -4.317 6.243 5.564 1.00 0.00 C ATOM 708 OG SER A 71 -5.702 6.268 5.267 1.00 0.00 O ATOM 0 H SER A 71 -4.446 8.701 6.149 1.00 0.00 H new ATOM 0 HA SER A 71 -4.601 6.230 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.771 6.822 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.947 5.219 5.506 1.00 0.00 H new ATOM 0 HG SER A 71 -6.209 5.959 6.046 1.00 0.00 H new ATOM 714 N VAL A 72 -1.760 7.572 6.682 1.00 0.00 N ATOM 715 CA VAL A 72 -0.318 7.570 6.910 1.00 0.00 C ATOM 716 C VAL A 72 0.231 8.993 6.949 1.00 0.00 C ATOM 717 O VAL A 72 0.027 9.774 6.019 1.00 0.00 O ATOM 718 CB VAL A 72 0.430 6.784 5.813 1.00 0.00 C ATOM 719 CG1 VAL A 72 1.922 6.741 6.108 1.00 0.00 C ATOM 720 CG2 VAL A 72 -0.132 5.378 5.670 1.00 0.00 C ATOM 0 H VAL A 72 -2.083 8.289 6.033 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.154 7.085 7.872 1.00 0.00 H new ATOM 0 HB VAL A 72 0.282 7.302 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.432 6.182 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.315 7.757 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.089 6.253 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.413 4.846 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.025 4.846 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.187 5.433 5.402 1.00 0.00 H new ATOM 730 N GLN A 73 0.933 9.320 8.029 1.00 0.00 N ATOM 731 CA GLN A 73 1.519 10.645 8.189 1.00 0.00 C ATOM 732 C GLN A 73 3.021 10.604 7.931 1.00 0.00 C ATOM 733 O GLN A 73 3.571 11.475 7.257 1.00 0.00 O ATOM 734 CB GLN A 73 1.244 11.182 9.596 1.00 0.00 C ATOM 735 CG GLN A 73 1.807 12.574 9.841 1.00 0.00 C ATOM 736 CD GLN A 73 1.135 13.651 9.005 1.00 0.00 C ATOM 737 OE1 GLN A 73 0.095 13.280 8.264 1.00 0.00 O flip ATOM 738 NE2 GLN A 73 1.542 14.813 9.033 1.00 0.00 N flip ATOM 0 H GLN A 73 1.110 8.685 8.807 1.00 0.00 H new ATOM 0 HA GLN A 73 1.059 11.312 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.167 11.201 9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.669 10.494 10.327 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.697 12.822 10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.875 12.569 9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.343 15.059 9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.078 15.530 8.475 1.00 0.00 H new ATOM 747 N LYS A 74 3.676 9.585 8.480 1.00 0.00 N ATOM 748 CA LYS A 74 5.117 9.417 8.320 1.00 0.00 C ATOM 749 C LYS A 74 5.456 8.828 6.953 1.00 0.00 C ATOM 750 O LYS A 74 6.161 7.824 6.860 1.00 0.00 O ATOM 751 CB LYS A 74 5.667 8.517 9.428 1.00 0.00 C ATOM 752 CG LYS A 74 5.418 9.057 10.825 1.00 0.00 C ATOM 753 CD LYS A 74 5.947 8.112 11.892 1.00 0.00 C ATOM 754 CE LYS A 74 5.697 8.651 13.290 1.00 0.00 C ATOM 755 NZ LYS A 74 4.245 8.846 13.561 1.00 0.00 N ATOM 0 H LYS A 74 3.229 8.860 9.042 1.00 0.00 H new ATOM 0 HA LYS A 74 5.581 10.401 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.213 7.530 9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.740 8.389 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.897 10.030 10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.349 9.210 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.469 7.138 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.016 7.960 11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.114 7.962 14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.219 9.600 13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.098 8.983 14.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.905 9.683 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.717 8.007 13.245 1.00 0.00 H new ATOM 769 N VAL A 75 4.946 9.458 5.898 1.00 0.00 N ATOM 770 CA VAL A 75 5.191 9.003 4.531 1.00 0.00 C ATOM 771 C VAL A 75 6.632 9.301 4.102 1.00 0.00 C ATOM 772 O VAL A 75 6.870 10.094 3.190 1.00 0.00 O ATOM 773 CB VAL A 75 4.210 9.662 3.537 1.00 0.00 C ATOM 774 CG1 VAL A 75 4.384 9.081 2.142 1.00 0.00 C ATOM 775 CG2 VAL A 75 2.772 9.496 4.012 1.00 0.00 C ATOM 0 H VAL A 75 4.358 10.289 5.964 1.00 0.00 H new ATOM 0 HA VAL A 75 5.032 7.925 4.517 1.00 0.00 H new ATOM 0 HB VAL A 75 4.436 10.727 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.683 9.560 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.403 9.258 1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.191 8.009 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.096 9.967 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.535 8.435 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.655 9.967 4.988 1.00 0.00 H new ATOM 785 N ASN A 76 7.590 8.666 4.773 1.00 0.00 N ATOM 786 CA ASN A 76 9.006 8.862 4.471 1.00 0.00 C ATOM 787 C ASN A 76 9.348 8.353 3.075 1.00 0.00 C ATOM 788 O ASN A 76 8.929 7.265 2.684 1.00 0.00 O ATOM 789 CB ASN A 76 9.875 8.137 5.500 1.00 0.00 C ATOM 790 CG ASN A 76 9.580 8.566 6.923 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.685 9.745 7.264 1.00 0.00 O ATOM 792 ND2 ASN A 76 9.214 7.606 7.764 1.00 0.00 N ATOM 0 H ASN A 76 7.411 8.009 5.532 1.00 0.00 H new ATOM 0 HA ASN A 76 9.207 9.933 4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.718 7.062 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.926 8.325 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.007 7.832 8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.140 6.643 7.437 1.00 0.00 H new ATOM 799 N ASP A 77 10.126 9.137 2.335 1.00 0.00 N ATOM 800 CA ASP A 77 10.538 8.752 0.989 1.00 0.00 C ATOM 801 C ASP A 77 11.363 7.467 1.033 1.00 0.00 C ATOM 802 O ASP A 77 12.184 7.282 1.931 1.00 0.00 O ATOM 803 CB ASP A 77 11.352 9.874 0.339 1.00 0.00 C ATOM 804 CG ASP A 77 10.564 11.163 0.216 1.00 0.00 C ATOM 805 OD1 ASP A 77 10.136 11.700 1.259 1.00 0.00 O ATOM 806 OD2 ASP A 77 10.376 11.637 -0.924 1.00 0.00 O ATOM 0 H ASP A 77 10.483 10.041 2.644 1.00 0.00 H new ATOM 0 HA ASP A 77 9.643 8.576 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.251 10.056 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.679 9.555 -0.651 1.00 0.00 H new ATOM 811 N PRO A 78 11.156 6.555 0.066 1.00 0.00 N ATOM 812 CA PRO A 78 11.890 5.287 0.016 1.00 0.00 C ATOM 813 C PRO A 78 13.365 5.488 -0.312 1.00 0.00 C ATOM 814 O PRO A 78 13.709 6.078 -1.336 1.00 0.00 O ATOM 815 CB PRO A 78 11.185 4.508 -1.098 1.00 0.00 C ATOM 816 CG PRO A 78 10.573 5.554 -1.965 1.00 0.00 C ATOM 817 CD PRO A 78 10.198 6.687 -1.049 1.00 0.00 C ATOM 0 HA PRO A 78 11.883 4.771 0.976 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.890 3.893 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.428 3.837 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.275 5.887 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.697 5.166 -2.484 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.290 7.653 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.167 6.602 -0.706 1.00 0.00 H new ATOM 825 N VAL A 79 14.232 4.988 0.568 1.00 0.00 N ATOM 826 CA VAL A 79 15.676 5.106 0.387 1.00 0.00 C ATOM 827 C VAL A 79 16.405 3.967 1.091 1.00 0.00 C ATOM 828 O VAL A 79 17.062 3.145 0.452 1.00 0.00 O ATOM 829 CB VAL A 79 16.207 6.447 0.944 1.00 0.00 C ATOM 830 CG1 VAL A 79 17.730 6.452 0.980 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.689 7.619 0.125 1.00 0.00 C ATOM 0 H VAL A 79 13.956 4.495 1.417 1.00 0.00 H new ATOM 0 HA VAL A 79 15.866 5.061 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 79 15.839 6.556 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.081 7.405 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.081 5.642 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.118 6.312 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.077 8.551 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.019 7.514 -0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.600 7.633 0.159 1.00 0.00 H new ATOM 841 N GLN A 80 16.283 3.927 2.414 1.00 0.00 N ATOM 842 CA GLN A 80 16.928 2.892 3.212 1.00 0.00 C ATOM 843 C GLN A 80 16.053 1.642 3.286 1.00 0.00 C ATOM 844 O GLN A 80 15.616 1.125 2.257 1.00 0.00 O ATOM 845 CB GLN A 80 17.241 3.428 4.610 1.00 0.00 C ATOM 846 CG GLN A 80 18.140 4.656 4.592 1.00 0.00 C ATOM 847 CD GLN A 80 18.509 5.150 5.976 1.00 0.00 C ATOM 848 OE1 GLN A 80 18.038 4.457 7.004 1.00 0.00 O flip ATOM 849 NE2 GLN A 80 19.216 6.148 6.120 1.00 0.00 N flip ATOM 0 H GLN A 80 15.742 4.601 2.956 1.00 0.00 H new ATOM 0 HA GLN A 80 17.866 2.612 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.307 3.676 5.115 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.720 2.643 5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.052 4.422 4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.638 5.457 4.050 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.558 6.653 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 80 19.460 6.470 7.057 1.00 0.00 H new ATOM 858 N ASN A 81 15.800 1.152 4.499 1.00 0.00 N ATOM 859 CA ASN A 81 14.981 -0.040 4.677 1.00 0.00 C ATOM 860 C ASN A 81 13.860 0.195 5.686 1.00 0.00 C ATOM 861 O ASN A 81 12.730 -0.249 5.479 1.00 0.00 O ATOM 862 CB ASN A 81 15.848 -1.225 5.114 1.00 0.00 C ATOM 863 CG ASN A 81 16.639 -0.941 6.377 1.00 0.00 C ATOM 864 OD1 ASN A 81 16.071 -0.717 7.446 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.962 -0.946 6.257 1.00 0.00 N ATOM 0 H ASN A 81 16.149 1.561 5.366 1.00 0.00 H new ATOM 0 HA ASN A 81 14.522 -0.271 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 81 15.211 -2.094 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.537 -1.481 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.549 -0.759 7.070 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.391 -1.137 5.352 1.00 0.00 H new ATOM 872 N TRP A 82 14.171 0.887 6.779 1.00 0.00 N ATOM 873 CA TRP A 82 13.174 1.157 7.807 1.00 0.00 C ATOM 874 C TRP A 82 12.119 2.137 7.299 1.00 0.00 C ATOM 875 O TRP A 82 11.005 2.184 7.822 1.00 0.00 O ATOM 876 CB TRP A 82 13.834 1.669 9.096 1.00 0.00 C ATOM 877 CG TRP A 82 14.375 3.064 9.016 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.659 3.431 8.734 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.657 4.279 9.268 1.00 0.00 C ATOM 880 NE1 TRP A 82 15.778 4.799 8.772 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.564 5.342 9.102 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.333 4.570 9.610 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.189 6.673 9.267 1.00 0.00 C ATOM 884 CZ3 TRP A 82 11.963 5.892 9.775 1.00 0.00 C ATOM 885 CH2 TRP A 82 12.888 6.929 9.603 1.00 0.00 C ATOM 0 H TRP A 82 15.097 1.267 6.973 1.00 0.00 H new ATOM 0 HA TRP A 82 12.672 0.219 8.043 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.104 1.624 9.904 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.647 0.994 9.363 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.464 2.746 8.513 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.632 5.325 8.585 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.612 3.777 9.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 14.900 7.475 9.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 10.943 6.129 10.041 1.00 0.00 H new ATOM 0 HH2 TRP A 82 12.568 7.952 9.738 1.00 0.00 H new ATOM 896 N HIS A 83 12.467 2.908 6.268 1.00 0.00 N ATOM 897 CA HIS A 83 11.532 3.869 5.687 1.00 0.00 C ATOM 898 C HIS A 83 10.261 3.158 5.237 1.00 0.00 C ATOM 899 O HIS A 83 9.153 3.530 5.626 1.00 0.00 O ATOM 900 CB HIS A 83 12.157 4.581 4.480 1.00 0.00 C ATOM 901 CG HIS A 83 13.424 5.321 4.779 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.135 5.442 5.922 1.00 0.00 N flip ATOM 903 CD2 HIS A 83 14.106 6.054 3.829 1.00 0.00 C flip ATOM 904 CE1 HIS A 83 15.221 6.235 5.648 1.00 0.00 C flip ATOM 905 NE2 HIS A 83 15.181 6.591 4.378 1.00 0.00 N flip ATOM 0 H HIS A 83 13.384 2.886 5.821 1.00 0.00 H new ATOM 0 HA HIS A 83 11.293 4.607 6.452 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.358 3.843 3.703 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.430 5.283 4.072 1.00 0.00 H new ATOM 0 HD1 HIS A 83 13.906 5.021 6.823 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.807 6.170 2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.984 6.521 6.357 1.00 0.00 H new ATOM 914 N LYS A 84 10.438 2.131 4.411 1.00 0.00 N ATOM 915 CA LYS A 84 9.321 1.353 3.891 1.00 0.00 C ATOM 916 C LYS A 84 8.586 0.629 5.013 1.00 0.00 C ATOM 917 O LYS A 84 7.359 0.609 5.048 1.00 0.00 O ATOM 918 CB LYS A 84 9.825 0.341 2.861 1.00 0.00 C ATOM 919 CG LYS A 84 10.540 0.982 1.683 1.00 0.00 C ATOM 920 CD LYS A 84 11.078 -0.063 0.719 1.00 0.00 C ATOM 921 CE LYS A 84 11.724 0.585 -0.495 1.00 0.00 C ATOM 922 NZ LYS A 84 12.327 -0.423 -1.409 1.00 0.00 N ATOM 0 H LYS A 84 11.353 1.817 4.086 1.00 0.00 H new ATOM 0 HA LYS A 84 8.622 2.039 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.503 -0.358 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.981 -0.241 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.853 1.644 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.361 1.599 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.808 -0.691 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.266 -0.715 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.977 1.165 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.494 1.284 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.757 0.060 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.058 -0.960 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.588 -1.075 -1.743 1.00 0.00 H new ATOM 936 N LEU A 85 9.345 0.031 5.924 1.00 0.00 N ATOM 937 CA LEU A 85 8.772 -0.698 7.044 1.00 0.00 C ATOM 938 C LEU A 85 7.797 0.172 7.832 1.00 0.00 C ATOM 939 O LEU A 85 6.810 -0.322 8.379 1.00 0.00 O ATOM 940 CB LEU A 85 9.889 -1.195 7.962 1.00 0.00 C ATOM 941 CG LEU A 85 10.902 -2.135 7.303 1.00 0.00 C ATOM 942 CD1 LEU A 85 12.000 -2.509 8.288 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.210 -3.384 6.776 1.00 0.00 C ATOM 0 H LEU A 85 10.365 0.038 5.906 1.00 0.00 H new ATOM 0 HA LEU A 85 8.218 -1.549 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.423 -0.332 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.439 -1.709 8.811 1.00 0.00 H new ATOM 0 HG LEU A 85 11.357 -1.614 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.711 -3.178 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.516 -1.607 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.560 -3.011 9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.947 -4.039 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.727 -3.908 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.460 -3.100 6.038 1.00 0.00 H new ATOM 955 N GLU A 86 8.082 1.468 7.887 1.00 0.00 N ATOM 956 CA GLU A 86 7.235 2.409 8.611 1.00 0.00 C ATOM 957 C GLU A 86 5.979 2.741 7.815 1.00 0.00 C ATOM 958 O GLU A 86 4.866 2.680 8.338 1.00 0.00 O ATOM 959 CB GLU A 86 8.006 3.688 8.918 1.00 0.00 C ATOM 960 CG GLU A 86 7.233 4.651 9.797 1.00 0.00 C ATOM 961 CD GLU A 86 6.782 4.020 11.100 1.00 0.00 C ATOM 962 OE1 GLU A 86 7.652 3.572 11.875 1.00 0.00 O ATOM 963 OE2 GLU A 86 5.558 3.975 11.345 1.00 0.00 O ATOM 0 H GLU A 86 8.894 1.892 7.438 1.00 0.00 H new ATOM 0 HA GLU A 86 6.935 1.938 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.945 3.431 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.262 4.185 7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.856 5.518 10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.361 5.014 9.253 1.00 0.00 H new ATOM 970 N ASN A 87 6.166 3.094 6.547 1.00 0.00 N ATOM 971 CA ASN A 87 5.058 3.438 5.675 1.00 0.00 C ATOM 972 C ASN A 87 4.084 2.274 5.540 1.00 0.00 C ATOM 973 O ASN A 87 2.869 2.460 5.584 1.00 0.00 O ATOM 974 CB ASN A 87 5.589 3.836 4.300 1.00 0.00 C ATOM 975 CG ASN A 87 6.484 5.058 4.356 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.072 6.122 4.816 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.714 4.913 3.880 1.00 0.00 N ATOM 0 H ASN A 87 7.082 3.148 6.102 1.00 0.00 H new ATOM 0 HA ASN A 87 4.522 4.278 6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.145 3.001 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.750 4.034 3.633 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.360 5.703 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.014 4.012 3.508 1.00 0.00 H new ATOM 984 N ILE A 88 4.626 1.072 5.376 1.00 0.00 N ATOM 985 CA ILE A 88 3.801 -0.121 5.232 1.00 0.00 C ATOM 986 C ILE A 88 2.995 -0.389 6.498 1.00 0.00 C ATOM 987 O ILE A 88 1.815 -0.735 6.432 1.00 0.00 O ATOM 988 CB ILE A 88 4.652 -1.362 4.900 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.428 -1.139 3.598 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.766 -2.595 4.792 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.312 -2.304 3.207 1.00 0.00 C ATOM 0 H ILE A 88 5.630 0.899 5.340 1.00 0.00 H new ATOM 0 HA ILE A 88 3.117 0.068 4.404 1.00 0.00 H new ATOM 0 HB ILE A 88 5.369 -1.523 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.720 -0.946 2.792 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.044 -0.246 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.380 -3.465 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.253 -2.758 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.030 -2.446 4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.829 -2.072 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.045 -2.485 3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.700 -3.195 3.070 1.00 0.00 H new ATOM 1003 N GLY A 89 3.638 -0.229 7.651 1.00 0.00 N ATOM 1004 CA GLY A 89 2.961 -0.459 8.915 1.00 0.00 C ATOM 1005 C GLY A 89 1.752 0.437 9.095 1.00 0.00 C ATOM 1006 O GLY A 89 0.682 -0.027 9.490 1.00 0.00 O ATOM 0 H GLY A 89 4.614 0.055 7.733 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.649 -1.502 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.660 -0.290 9.734 1.00 0.00 H new ATOM 1010 N ASN A 90 1.922 1.723 8.805 1.00 0.00 N ATOM 1011 CA ASN A 90 0.837 2.689 8.936 1.00 0.00 C ATOM 1012 C ASN A 90 -0.257 2.430 7.905 1.00 0.00 C ATOM 1013 O ASN A 90 -1.445 2.527 8.210 1.00 0.00 O ATOM 1014 CB ASN A 90 1.370 4.114 8.778 1.00 0.00 C ATOM 1015 CG ASN A 90 2.406 4.466 9.824 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.147 4.386 11.025 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.587 4.865 9.371 1.00 0.00 N ATOM 0 H ASN A 90 2.802 2.121 8.477 1.00 0.00 H new ATOM 0 HA ASN A 90 0.407 2.575 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.807 4.227 7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.540 4.818 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.325 5.121 10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.757 4.916 8.367 1.00 0.00 H new ATOM 1024 N PHE A 91 0.153 2.110 6.681 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.789 1.846 5.598 1.00 0.00 C ATOM 1026 C PHE A 91 -1.714 0.677 5.929 1.00 0.00 C ATOM 1027 O PHE A 91 -2.935 0.799 5.842 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.027 1.551 4.302 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.912 1.149 3.153 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.009 1.918 2.799 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.644 -0.003 2.431 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.822 1.545 1.745 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.454 -0.380 1.377 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.544 0.395 1.033 1.00 0.00 C ATOM 0 H PHE A 91 1.134 2.027 6.414 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.404 2.736 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.542 2.436 4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.694 0.755 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.231 2.818 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.207 -0.613 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.674 2.153 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.235 -1.280 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.178 0.102 0.209 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.126 -0.454 6.300 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.898 -1.647 6.632 1.00 0.00 C ATOM 1046 C LEU A 92 -2.739 -1.434 7.883 1.00 0.00 C ATOM 1047 O LEU A 92 -3.909 -1.808 7.923 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.966 -2.840 6.814 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.182 -3.220 5.561 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.848 -4.291 5.878 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.126 -3.689 4.467 1.00 0.00 C ATOM 0 H LEU A 92 -0.116 -0.571 6.379 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.579 -1.850 5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.262 -2.617 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.554 -3.700 7.136 1.00 0.00 H new ATOM 0 HG LEU A 92 0.346 -2.336 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.396 -4.548 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.543 -3.916 6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.344 -5.178 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.551 -3.956 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.682 -4.560 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.823 -2.888 4.220 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.142 -0.830 8.902 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.850 -0.566 10.146 1.00 0.00 C ATOM 1065 C ARG A 93 -4.045 0.344 9.892 1.00 0.00 C ATOM 1066 O ARG A 93 -5.107 0.183 10.493 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.913 0.072 11.171 1.00 0.00 C ATOM 1068 CG ARG A 93 -2.585 0.371 12.500 1.00 0.00 C ATOM 1069 CD ARG A 93 -3.209 -0.872 13.103 1.00 0.00 C ATOM 1070 NE ARG A 93 -3.876 -0.593 14.372 1.00 0.00 N ATOM 1071 CZ ARG A 93 -4.498 -1.517 15.096 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -4.538 -2.776 14.682 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -5.081 -1.182 16.240 1.00 0.00 N ATOM 0 H ARG A 93 -1.172 -0.515 8.891 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.209 -1.515 10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.067 -0.593 11.342 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.512 0.998 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.853 0.784 13.194 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -3.353 1.131 12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.929 -1.293 12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -2.437 -1.626 13.258 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.864 0.365 14.722 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.090 -3.039 13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.017 -3.482 15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.052 -0.215 16.563 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.559 -1.891 16.796 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.855 1.303 8.993 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.903 2.253 8.645 1.00 0.00 C ATOM 1089 C ALA A 94 -6.019 1.595 7.840 1.00 0.00 C ATOM 1090 O ALA A 94 -7.195 1.847 8.089 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.314 3.422 7.869 1.00 0.00 C ATOM 0 H ALA A 94 -2.979 1.443 8.490 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.339 2.620 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.106 4.126 7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.565 3.925 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.848 3.054 6.955 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.649 0.764 6.866 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.638 0.090 6.025 1.00 0.00 C ATOM 1099 C ILE A 95 -7.398 -0.984 6.799 1.00 0.00 C ATOM 1100 O ILE A 95 -8.599 -1.172 6.598 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.000 -0.535 4.765 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.032 -1.663 5.137 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.288 0.536 3.952 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.438 -2.371 3.938 1.00 0.00 C ATOM 0 H ILE A 95 -4.679 0.542 6.641 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.341 0.860 5.708 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.796 -0.967 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.224 -1.252 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.556 -2.391 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.842 0.084 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.005 1.299 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.506 0.994 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.763 -3.157 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.238 -2.812 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.885 -1.655 3.330 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.698 -1.680 7.691 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.312 -2.724 8.501 1.00 0.00 C ATOM 1118 C LYS A 96 -8.464 -2.154 9.321 1.00 0.00 C ATOM 1119 O LYS A 96 -9.523 -2.770 9.442 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.269 -3.359 9.427 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.340 -4.343 8.736 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.198 -4.782 9.646 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.711 -5.419 10.928 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.599 -5.847 11.821 1.00 0.00 N ATOM 0 H LYS A 96 -5.704 -1.538 7.870 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.705 -3.492 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.671 -2.568 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.785 -3.872 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.908 -5.217 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.931 -3.885 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.563 -5.492 9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.577 -3.921 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.348 -4.709 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.331 -6.281 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.992 -6.276 12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -3.006 -6.544 11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.022 -5.021 12.077 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.244 -0.967 9.874 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.253 -0.290 10.681 1.00 0.00 C ATOM 1140 C HIS A 97 -10.220 0.481 9.792 1.00 0.00 C ATOM 1141 O HIS A 97 -11.411 0.580 10.089 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.586 0.664 11.670 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.546 1.326 12.608 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.354 0.623 13.477 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.826 2.635 12.811 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -11.090 1.471 14.173 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.788 2.697 13.789 1.00 0.00 N ATOM 0 H HIS A 97 -7.370 -0.450 9.777 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.812 -1.044 11.235 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.846 0.113 12.251 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.047 1.431 11.114 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.377 3.473 12.300 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.815 1.206 14.928 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -11.202 3.553 14.159 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.689 1.034 8.706 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.490 1.811 7.764 1.00 0.00 C ATOM 1158 C TYR A 98 -11.735 1.039 7.342 1.00 0.00 C ATOM 1159 O TYR A 98 -12.831 1.597 7.276 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.663 2.172 6.527 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.402 3.033 5.525 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -10.878 4.292 5.875 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.629 2.584 4.229 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.555 5.078 4.962 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.305 3.364 3.311 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.766 4.610 3.681 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.440 5.389 2.770 1.00 0.00 O ATOM 0 H TYR A 98 -8.703 0.958 8.455 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.800 2.727 8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.761 2.695 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.343 1.253 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.716 4.661 6.877 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.271 1.609 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.917 6.054 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.472 3.000 2.308 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.905 6.182 2.559 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.558 -0.247 7.059 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.681 -1.070 6.648 1.00 0.00 C ATOM 1179 C GLY A 99 -12.259 -2.455 6.198 1.00 0.00 C ATOM 1180 O GLY A 99 -12.864 -3.452 6.592 1.00 0.00 O ATOM 0 H GLY A 99 -10.662 -0.732 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.383 -1.160 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.211 -0.574 5.835 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.223 -2.519 5.366 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.733 -3.795 4.861 1.00 0.00 C ATOM 1186 C VAL A 100 -10.244 -4.679 6.002 1.00 0.00 C ATOM 1187 O VAL A 100 -9.436 -4.253 6.827 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.585 -3.602 3.849 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.232 -4.928 3.190 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.968 -2.571 2.798 1.00 0.00 C ATOM 0 H VAL A 100 -10.709 -1.705 5.029 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.570 -4.278 4.357 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.709 -3.237 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.420 -4.776 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.918 -5.641 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.105 -5.318 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.146 -2.448 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.857 -2.908 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.176 -1.617 3.283 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.737 -5.912 6.042 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.347 -6.856 7.081 1.00 0.00 C ATOM 1202 C LYS A 101 -8.919 -7.349 6.856 1.00 0.00 C ATOM 1203 O LYS A 101 -8.536 -7.657 5.729 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.310 -8.045 7.109 1.00 0.00 C ATOM 1205 CG LYS A 101 -12.756 -7.656 7.379 1.00 0.00 C ATOM 1206 CD LYS A 101 -12.915 -7.003 8.744 1.00 0.00 C ATOM 1207 CE LYS A 101 -14.360 -6.616 9.010 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.267 -7.797 8.979 1.00 0.00 N ATOM 0 H LYS A 101 -11.407 -6.280 5.367 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.390 -6.341 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.256 -8.567 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.983 -8.748 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.099 -6.970 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.388 -8.542 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.572 -7.689 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.283 -6.117 8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.432 -6.129 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.684 -5.890 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.186 -7.540 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -15.403 -8.104 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.846 -8.573 9.529 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.112 -7.429 7.930 1.00 0.00 N ATOM 1223 CA PRO A 102 -6.723 -7.886 7.842 1.00 0.00 C ATOM 1224 C PRO A 102 -6.600 -9.217 7.107 1.00 0.00 C ATOM 1225 O PRO A 102 -5.631 -9.447 6.384 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.279 -8.039 9.303 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.506 -7.855 10.135 1.00 0.00 C ATOM 1228 CD PRO A 102 -8.484 -7.077 9.305 1.00 0.00 C ATOM 0 HA PRO A 102 -6.108 -7.184 7.278 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.837 -9.020 9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.521 -7.299 9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.925 -8.819 10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.271 -7.322 11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.514 -7.357 9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.400 -6.005 9.483 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.592 -10.084 7.292 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.601 -11.389 6.637 1.00 0.00 C ATOM 1238 C HIS A 103 -7.467 -11.219 5.126 1.00 0.00 C ATOM 1239 O HIS A 103 -6.865 -12.048 4.443 1.00 0.00 O ATOM 1240 CB HIS A 103 -8.894 -12.139 6.973 1.00 0.00 C ATOM 1241 CG HIS A 103 -8.913 -13.568 6.519 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.014 -14.386 6.664 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -7.959 -14.330 5.930 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -9.737 -15.586 6.186 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -8.496 -15.578 5.736 1.00 0.00 N ATOM 0 H HIS A 103 -8.399 -9.907 7.890 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.754 -11.971 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.047 -12.110 8.052 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.734 -11.614 6.518 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.961 -14.014 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.411 -16.430 6.167 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.014 -16.371 5.313 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.017 -10.120 4.620 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.955 -9.806 3.202 1.00 0.00 C ATOM 1256 C ASP A 104 -6.960 -8.681 2.984 1.00 0.00 C ATOM 1257 O ASP A 104 -7.167 -7.791 2.158 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.337 -9.393 2.689 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.344 -10.525 2.763 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.598 -11.021 3.881 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.878 -10.915 1.704 1.00 0.00 O ATOM 0 H ASP A 104 -8.515 -9.427 5.180 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.633 -10.689 2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.701 -8.548 3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.252 -9.053 1.657 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.886 -8.725 3.759 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.847 -7.712 3.697 1.00 0.00 C ATOM 1268 C ILE A 105 -3.468 -8.323 3.910 1.00 0.00 C ATOM 1269 O ILE A 105 -3.259 -9.093 4.847 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.077 -6.633 4.773 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.397 -5.902 4.532 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.921 -5.652 4.796 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.727 -4.881 5.601 1.00 0.00 C ATOM 0 H ILE A 105 -5.712 -9.460 4.444 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.893 -7.263 2.705 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.132 -7.124 5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.355 -5.402 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.203 -6.633 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.100 -4.897 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.997 -6.184 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.835 -5.169 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.677 -4.401 5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.802 -5.378 6.568 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.940 -4.128 5.640 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.526 -7.963 3.047 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.164 -8.467 3.157 1.00 0.00 C ATOM 1287 C PHE A 106 -0.445 -7.794 4.312 1.00 0.00 C ATOM 1288 O PHE A 106 -0.639 -6.607 4.568 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.393 -8.237 1.855 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.228 -6.786 1.488 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.787 -6.023 2.048 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.080 -6.188 0.574 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.945 -4.694 1.705 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.925 -4.858 0.227 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.088 -4.111 0.793 1.00 0.00 C ATOM 0 H PHE A 106 -2.680 -7.326 2.266 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.212 -9.539 3.346 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.593 -8.693 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.910 -8.750 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.462 -6.474 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.875 -6.767 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.738 -4.112 2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.597 -4.404 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.210 -3.072 0.523 1.00 0.00 H new ATOM 1305 N GLU A 107 0.391 -8.550 5.003 1.00 0.00 N ATOM 1306 CA GLU A 107 1.144 -8.004 6.122 1.00 0.00 C ATOM 1307 C GLU A 107 2.435 -7.365 5.643 1.00 0.00 C ATOM 1308 O GLU A 107 2.936 -7.685 4.565 1.00 0.00 O ATOM 1309 CB GLU A 107 1.436 -9.070 7.168 1.00 0.00 C ATOM 1310 CG GLU A 107 0.200 -9.520 7.918 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.725 -10.373 7.073 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -0.275 -11.431 6.584 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -1.899 -9.985 6.902 1.00 0.00 O ATOM 0 H GLU A 107 0.566 -9.537 4.812 1.00 0.00 H new ATOM 0 HA GLU A 107 0.528 -7.235 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.893 -9.932 6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.165 -8.682 7.880 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.502 -10.085 8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.344 -8.644 8.271 1.00 0.00 H new ATOM 1320 N ALA A 108 2.964 -6.452 6.448 1.00 0.00 N ATOM 1321 CA ALA A 108 4.195 -5.754 6.110 1.00 0.00 C ATOM 1322 C ALA A 108 5.279 -6.725 5.658 1.00 0.00 C ATOM 1323 O ALA A 108 6.062 -6.415 4.763 1.00 0.00 O ATOM 1324 CB ALA A 108 4.675 -4.933 7.296 1.00 0.00 C ATOM 0 H ALA A 108 2.557 -6.178 7.342 1.00 0.00 H new ATOM 0 HA ALA A 108 3.984 -5.083 5.277 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.597 -4.415 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.913 -4.202 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.860 -5.592 8.144 1.00 0.00 H new ATOM 1330 N ASN A 109 5.327 -7.899 6.283 1.00 0.00 N ATOM 1331 CA ASN A 109 6.323 -8.901 5.940 1.00 0.00 C ATOM 1332 C ASN A 109 6.030 -9.546 4.585 1.00 0.00 C ATOM 1333 O ASN A 109 6.949 -9.892 3.846 1.00 0.00 O ATOM 1334 CB ASN A 109 6.392 -9.963 7.036 1.00 0.00 C ATOM 1335 CG ASN A 109 5.081 -10.695 7.232 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.621 -11.417 6.347 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.469 -10.512 8.396 1.00 0.00 N ATOM 0 H ASN A 109 4.687 -8.176 7.028 1.00 0.00 H new ATOM 0 HA ASN A 109 7.290 -8.404 5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.171 -10.684 6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.682 -9.491 7.975 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.582 -10.979 8.585 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.886 -9.905 9.102 1.00 0.00 H new ATOM 1344 N ASP A 110 4.748 -9.712 4.266 1.00 0.00 N ATOM 1345 CA ASP A 110 4.354 -10.322 2.998 1.00 0.00 C ATOM 1346 C ASP A 110 4.888 -9.523 1.812 1.00 0.00 C ATOM 1347 O ASP A 110 5.507 -10.080 0.906 1.00 0.00 O ATOM 1348 CB ASP A 110 2.829 -10.427 2.900 1.00 0.00 C ATOM 1349 CG ASP A 110 2.231 -11.288 3.995 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.452 -10.977 5.181 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.534 -12.270 3.665 1.00 0.00 O ATOM 0 H ASP A 110 3.969 -9.435 4.863 1.00 0.00 H new ATOM 0 HA ASP A 110 4.785 -11.323 2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.396 -9.428 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.559 -10.842 1.929 1.00 0.00 H new ATOM 1356 N LEU A 111 4.636 -8.218 1.821 1.00 0.00 N ATOM 1357 CA LEU A 111 5.085 -7.344 0.741 1.00 0.00 C ATOM 1358 C LEU A 111 6.588 -7.081 0.822 1.00 0.00 C ATOM 1359 O LEU A 111 7.296 -7.182 -0.180 1.00 0.00 O ATOM 1360 CB LEU A 111 4.316 -6.020 0.779 1.00 0.00 C ATOM 1361 CG LEU A 111 4.698 -5.008 -0.307 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.393 -5.563 -1.691 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.964 -3.694 -0.091 1.00 0.00 C ATOM 0 H LEU A 111 4.124 -7.742 2.563 1.00 0.00 H new ATOM 0 HA LEU A 111 4.884 -7.850 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.251 -6.235 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.470 -5.557 1.754 1.00 0.00 H new ATOM 0 HG LEU A 111 5.770 -4.823 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.672 -4.829 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.961 -6.480 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.327 -5.778 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.247 -2.987 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.889 -3.867 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.230 -3.285 0.884 1.00 0.00 H new ATOM 1375 N PHE A 112 7.067 -6.737 2.015 1.00 0.00 N ATOM 1376 CA PHE A 112 8.487 -6.450 2.216 1.00 0.00 C ATOM 1377 C PHE A 112 9.354 -7.648 1.836 1.00 0.00 C ATOM 1378 O PHE A 112 10.224 -7.543 0.973 1.00 0.00 O ATOM 1379 CB PHE A 112 8.752 -6.063 3.673 1.00 0.00 C ATOM 1380 CG PHE A 112 10.183 -5.691 3.952 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.822 -4.716 3.200 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.888 -6.318 4.967 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.138 -4.375 3.458 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.203 -5.982 5.228 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.827 -5.009 4.473 1.00 0.00 C ATOM 0 H PHE A 112 6.496 -6.650 2.855 1.00 0.00 H new ATOM 0 HA PHE A 112 8.751 -5.615 1.567 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.110 -5.223 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.471 -6.896 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.287 -4.218 2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.404 -7.079 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.626 -3.614 2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.741 -6.480 6.021 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.854 -4.744 4.676 1.00 0.00 H new ATOM 1395 N GLU A 113 9.109 -8.784 2.482 1.00 0.00 N ATOM 1396 CA GLU A 113 9.872 -9.996 2.202 1.00 0.00 C ATOM 1397 C GLU A 113 9.334 -10.700 0.963 1.00 0.00 C ATOM 1398 O GLU A 113 9.651 -11.863 0.713 1.00 0.00 O ATOM 1399 CB GLU A 113 9.830 -10.939 3.403 1.00 0.00 C ATOM 1400 CG GLU A 113 10.468 -10.358 4.654 1.00 0.00 C ATOM 1401 CD GLU A 113 11.951 -10.077 4.488 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.500 -10.386 3.409 1.00 0.00 O ATOM 1403 OE2 GLU A 113 12.564 -9.554 5.441 1.00 0.00 O ATOM 0 H GLU A 113 8.392 -8.891 3.199 1.00 0.00 H new ATOM 0 HA GLU A 113 10.907 -9.711 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.792 -11.193 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.338 -11.868 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.956 -9.433 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.326 -11.051 5.483 1.00 0.00 H new ATOM 1410 N ASN A 114 8.518 -9.978 0.195 1.00 0.00 N ATOM 1411 CA ASN A 114 7.917 -10.502 -1.029 1.00 0.00 C ATOM 1412 C ASN A 114 7.530 -11.971 -0.884 1.00 0.00 C ATOM 1413 O ASN A 114 7.653 -12.751 -1.829 1.00 0.00 O ATOM 1414 CB ASN A 114 8.863 -10.319 -2.222 1.00 0.00 C ATOM 1415 CG ASN A 114 10.168 -11.077 -2.069 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.992 -10.757 -1.212 1.00 0.00 O ATOM 1417 ND2 ASN A 114 10.364 -12.091 -2.904 1.00 0.00 N ATOM 0 H ASN A 114 8.256 -9.015 0.404 1.00 0.00 H new ATOM 0 HA ASN A 114 7.006 -9.932 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 114 8.361 -10.652 -3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.079 -9.258 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 114 11.223 -12.638 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.655 -12.323 -3.600 1.00 0.00 H new ATOM 1424 N THR A 115 7.057 -12.345 0.302 1.00 0.00 N ATOM 1425 CA THR A 115 6.650 -13.722 0.558 1.00 0.00 C ATOM 1426 C THR A 115 5.322 -14.030 -0.123 1.00 0.00 C ATOM 1427 O THR A 115 5.216 -14.982 -0.898 1.00 0.00 O ATOM 1428 CB THR A 115 6.520 -14.005 2.065 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.535 -13.142 2.646 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.854 -13.804 2.770 1.00 0.00 C ATOM 0 H THR A 115 6.947 -11.716 1.097 1.00 0.00 H new ATOM 0 HA THR A 115 7.429 -14.364 0.147 1.00 0.00 H new ATOM 0 HB THR A 115 6.211 -15.043 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.664 -13.590 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.738 -14.010 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.595 -14.483 2.348 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.186 -12.775 2.634 1.00 0.00 H new ATOM 1438 N ASN A 116 4.312 -13.214 0.165 1.00 0.00 N ATOM 1439 CA ASN A 116 2.991 -13.395 -0.425 1.00 0.00 C ATOM 1440 C ASN A 116 2.793 -12.452 -1.608 1.00 0.00 C ATOM 1441 O ASN A 116 2.939 -11.238 -1.476 1.00 0.00 O ATOM 1442 CB ASN A 116 1.903 -13.161 0.627 1.00 0.00 C ATOM 1443 CG ASN A 116 1.934 -14.205 1.726 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.934 -14.353 2.429 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.836 -14.936 1.879 1.00 0.00 N ATOM 0 H ASN A 116 4.384 -12.422 0.803 1.00 0.00 H new ATOM 0 HA ASN A 116 2.916 -14.420 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.031 -12.171 1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.925 -13.173 0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.798 -15.654 2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.030 -14.779 1.274 1.00 0.00 H new ATOM 1452 N HIS A 117 2.457 -13.021 -2.763 1.00 0.00 N ATOM 1453 CA HIS A 117 2.236 -12.228 -3.969 1.00 0.00 C ATOM 1454 C HIS A 117 0.746 -12.043 -4.233 1.00 0.00 C ATOM 1455 O HIS A 117 0.279 -10.927 -4.465 1.00 0.00 O ATOM 1456 CB HIS A 117 2.901 -12.896 -5.176 1.00 0.00 C ATOM 1457 CG HIS A 117 4.386 -13.051 -5.044 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.168 -13.641 -6.015 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.235 -12.689 -4.051 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.430 -13.637 -5.625 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.498 -13.065 -4.438 1.00 0.00 N ATOM 0 H HIS A 117 2.332 -14.025 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 117 2.684 -11.247 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.455 -13.879 -5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.685 -12.309 -6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.968 -12.197 -3.128 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.265 -14.035 -6.183 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.350 -12.925 -3.896 1.00 0.00 H new ATOM 1470 N THR A 118 0.004 -13.146 -4.197 1.00 0.00 N ATOM 1471 CA THR A 118 -1.435 -13.110 -4.432 1.00 0.00 C ATOM 1472 C THR A 118 -2.144 -12.292 -3.358 1.00 0.00 C ATOM 1473 O THR A 118 -3.044 -11.505 -3.655 1.00 0.00 O ATOM 1474 CB THR A 118 -2.034 -14.529 -4.462 1.00 0.00 C ATOM 1475 OG1 THR A 118 -1.404 -15.306 -5.487 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.535 -14.479 -4.711 1.00 0.00 C ATOM 0 H THR A 118 0.376 -14.076 -4.007 1.00 0.00 H new ATOM 0 HA THR A 118 -1.588 -12.640 -5.404 1.00 0.00 H new ATOM 0 HB THR A 118 -1.857 -14.993 -3.492 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.789 -16.207 -5.498 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.935 -15.493 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.017 -13.912 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.729 -13.996 -5.669 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.731 -12.484 -2.110 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.320 -11.769 -0.986 1.00 0.00 C ATOM 1486 C GLN A 119 -2.203 -10.260 -1.176 1.00 0.00 C ATOM 1487 O GLN A 119 -3.122 -9.511 -0.844 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.636 -12.188 0.316 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.201 -11.505 1.550 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.673 -11.801 1.758 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.070 -12.956 1.916 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.493 -10.756 1.760 1.00 0.00 N ATOM 0 H GLN A 119 -0.987 -13.132 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.378 -12.025 -0.935 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.730 -13.268 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.571 -11.966 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.642 -11.828 2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.060 -10.428 1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.121 -9.816 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.494 -10.894 1.896 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.067 -9.821 -1.710 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.829 -8.401 -1.940 1.00 0.00 C ATOM 1503 C VAL A 120 -1.910 -7.792 -2.831 1.00 0.00 C ATOM 1504 O VAL A 120 -2.511 -6.780 -2.477 1.00 0.00 O ATOM 1505 CB VAL A 120 0.557 -8.160 -2.574 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.704 -6.719 -3.046 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.662 -8.521 -1.591 1.00 0.00 C ATOM 0 H VAL A 120 -0.297 -10.429 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.861 -7.913 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 120 0.646 -8.806 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.691 -6.580 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.061 -6.500 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.588 -6.045 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.633 -8.345 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.569 -7.904 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.576 -9.572 -1.317 1.00 0.00 H new ATOM 1517 N GLN A 121 -2.152 -8.413 -3.981 1.00 0.00 N ATOM 1518 CA GLN A 121 -3.163 -7.924 -4.916 1.00 0.00 C ATOM 1519 C GLN A 121 -4.550 -7.910 -4.281 1.00 0.00 C ATOM 1520 O GLN A 121 -5.307 -6.954 -4.449 1.00 0.00 O ATOM 1521 CB GLN A 121 -3.182 -8.777 -6.184 1.00 0.00 C ATOM 1522 CG GLN A 121 -1.988 -8.545 -7.095 1.00 0.00 C ATOM 1523 CD GLN A 121 -1.994 -9.459 -8.304 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.935 -9.450 -9.097 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -0.942 -10.256 -8.449 1.00 0.00 N ATOM 0 H GLN A 121 -1.664 -9.254 -4.289 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.897 -6.900 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -3.214 -9.830 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.097 -8.567 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -1.986 -7.507 -7.428 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -1.069 -8.701 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -0.184 -10.230 -7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -0.891 -10.895 -9.243 1.00 0.00 H new ATOM 1534 N SER A 122 -4.880 -8.978 -3.561 1.00 0.00 N ATOM 1535 CA SER A 122 -6.181 -9.097 -2.907 1.00 0.00 C ATOM 1536 C SER A 122 -6.540 -7.826 -2.142 1.00 0.00 C ATOM 1537 O SER A 122 -7.696 -7.400 -2.137 1.00 0.00 O ATOM 1538 CB SER A 122 -6.187 -10.295 -1.956 1.00 0.00 C ATOM 1539 OG SER A 122 -7.441 -10.428 -1.310 1.00 0.00 O ATOM 0 H SER A 122 -4.263 -9.777 -3.415 1.00 0.00 H new ATOM 0 HA SER A 122 -6.930 -9.248 -3.684 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.963 -11.205 -2.512 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.401 -10.175 -1.210 1.00 0.00 H new ATOM 0 HG SER A 122 -7.419 -11.202 -0.709 1.00 0.00 H new ATOM 1545 N THR A 123 -5.547 -7.228 -1.493 1.00 0.00 N ATOM 1546 CA THR A 123 -5.761 -6.009 -0.721 1.00 0.00 C ATOM 1547 C THR A 123 -6.266 -4.867 -1.599 1.00 0.00 C ATOM 1548 O THR A 123 -7.163 -4.125 -1.204 1.00 0.00 O ATOM 1549 CB THR A 123 -4.471 -5.565 -0.008 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.024 -6.597 0.879 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.696 -4.281 0.778 1.00 0.00 C ATOM 0 H THR A 123 -4.585 -7.568 -1.486 1.00 0.00 H new ATOM 0 HA THR A 123 -6.521 -6.243 0.024 1.00 0.00 H new ATOM 0 HB THR A 123 -3.711 -5.378 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.817 -7.404 0.364 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.769 -3.990 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.010 -3.489 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.471 -4.444 1.527 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.679 -4.722 -2.784 1.00 0.00 N ATOM 1560 CA LEU A 124 -6.069 -3.660 -3.707 1.00 0.00 C ATOM 1561 C LEU A 124 -7.549 -3.737 -4.076 1.00 0.00 C ATOM 1562 O LEU A 124 -8.243 -2.720 -4.088 1.00 0.00 O ATOM 1563 CB LEU A 124 -5.217 -3.714 -4.971 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.747 -3.352 -4.763 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.961 -4.550 -4.260 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.152 -2.806 -6.046 1.00 0.00 C ATOM 0 H LEU A 124 -4.932 -5.326 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.902 -2.712 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.274 -4.719 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.644 -3.036 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.686 -2.574 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.918 -4.268 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.377 -4.885 -3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.023 -5.358 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.105 -2.553 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.225 -3.559 -6.830 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.698 -1.913 -6.349 1.00 0.00 H new ATOM 1578 N ILE A 125 -8.029 -4.939 -4.384 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.427 -5.126 -4.760 1.00 0.00 C ATOM 1580 C ILE A 125 -10.369 -4.678 -3.643 1.00 0.00 C ATOM 1581 O ILE A 125 -11.317 -3.931 -3.884 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.733 -6.599 -5.122 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -9.041 -6.996 -6.433 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -11.235 -6.821 -5.235 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -7.531 -7.015 -6.355 1.00 0.00 C ATOM 0 H ILE A 125 -7.473 -5.794 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.595 -4.506 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.344 -7.229 -4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -9.391 -7.984 -6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -9.345 -6.301 -7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -11.431 -7.862 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.710 -6.585 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -11.641 -6.174 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.120 -7.305 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.168 -6.022 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.215 -7.732 -5.597 1.00 0.00 H new ATOM 1597 N ALA A 126 -10.104 -5.139 -2.426 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.931 -4.784 -1.276 1.00 0.00 C ATOM 1599 C ALA A 126 -10.819 -3.297 -0.951 1.00 0.00 C ATOM 1600 O ALA A 126 -11.814 -2.643 -0.636 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.538 -5.620 -0.067 1.00 0.00 C ATOM 0 H ALA A 126 -9.324 -5.759 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.970 -4.994 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.162 -5.346 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.679 -6.677 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.491 -5.437 0.177 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.600 -2.774 -1.027 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.343 -1.368 -0.737 1.00 0.00 C ATOM 1609 C LEU A 127 -10.153 -0.456 -1.656 1.00 0.00 C ATOM 1610 O LEU A 127 -10.687 0.564 -1.220 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.849 -1.066 -0.888 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.442 0.381 -0.602 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -7.822 0.773 0.818 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -5.949 0.568 -0.827 1.00 0.00 C ATOM 0 H LEU A 127 -8.770 -3.306 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.650 -1.174 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.293 -1.722 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.545 -1.317 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 127 -7.979 1.032 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.524 1.805 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -8.900 0.678 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.314 0.117 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.677 1.603 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.395 -0.094 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.704 0.329 -1.862 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.234 -0.829 -2.928 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.975 -0.047 -3.911 1.00 0.00 C ATOM 1628 C ALA A 128 -12.449 0.052 -3.537 1.00 0.00 C ATOM 1629 O ALA A 128 -13.059 1.116 -3.649 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.820 -0.657 -5.297 1.00 0.00 C ATOM 0 H ALA A 128 -9.795 -1.670 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.562 0.962 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.378 -0.063 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.766 -0.669 -5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.205 -1.677 -5.291 1.00 0.00 H new ATOM 1636 N SER A 129 -13.015 -1.065 -3.093 1.00 0.00 N ATOM 1637 CA SER A 129 -14.419 -1.111 -2.701 1.00 0.00 C ATOM 1638 C SER A 129 -14.709 -0.111 -1.589 1.00 0.00 C ATOM 1639 O SER A 129 -15.771 0.510 -1.563 1.00 0.00 O ATOM 1640 CB SER A 129 -14.799 -2.521 -2.248 1.00 0.00 C ATOM 1641 OG SER A 129 -14.601 -3.463 -3.288 1.00 0.00 O ATOM 0 H SER A 129 -12.522 -1.953 -2.995 1.00 0.00 H new ATOM 0 HA SER A 129 -15.020 -0.842 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.201 -2.801 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.843 -2.536 -1.934 1.00 0.00 H new ATOM 0 HG SER A 129 -14.850 -4.357 -2.972 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.764 0.040 -0.668 1.00 0.00 N ATOM 1648 CA GLN A 130 -13.922 0.956 0.441 1.00 0.00 C ATOM 1649 C GLN A 130 -13.981 2.404 -0.036 1.00 0.00 C ATOM 1650 O GLN A 130 -14.766 3.202 0.474 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.772 0.775 1.416 1.00 0.00 C ATOM 1652 CG GLN A 130 -12.699 -0.613 2.027 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.994 -1.032 2.690 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.477 -0.373 3.610 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -14.559 -2.139 2.229 1.00 0.00 N ATOM 0 H GLN A 130 -12.878 -0.466 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 130 -14.865 0.732 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.835 0.985 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.867 1.509 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.444 -1.334 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -11.895 -0.639 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -14.123 -2.654 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -15.430 -2.476 2.639 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.139 2.740 -1.008 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.089 4.097 -1.542 1.00 0.00 C ATOM 1666 C ALA A 131 -14.265 4.393 -2.474 1.00 0.00 C ATOM 1667 O ALA A 131 -14.108 5.087 -3.479 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.770 4.329 -2.262 1.00 0.00 C ATOM 0 H ALA A 131 -12.482 2.092 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.165 4.784 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.744 5.345 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -10.945 4.190 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.674 3.619 -3.083 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.443 3.876 -2.133 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.638 4.101 -2.934 1.00 0.00 C ATOM 1676 C LYS A 132 -17.889 3.675 -2.170 1.00 0.00 C ATOM 1677 O LYS A 132 -18.919 4.349 -2.221 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.548 3.342 -4.260 1.00 0.00 C ATOM 1679 CG LYS A 132 -16.577 1.829 -4.113 1.00 0.00 C ATOM 1680 CD LYS A 132 -16.545 1.140 -5.469 1.00 0.00 C ATOM 1681 CE LYS A 132 -16.624 -0.371 -5.330 1.00 0.00 C ATOM 1682 NZ LYS A 132 -17.876 -0.801 -4.649 1.00 0.00 N ATOM 0 H LYS A 132 -15.593 3.298 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.707 5.168 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -17.375 3.650 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -15.628 3.629 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -15.724 1.503 -3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -17.476 1.531 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -17.377 1.494 -6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -15.629 1.410 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -16.572 -0.830 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -15.763 -0.729 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -18.018 -1.821 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -17.802 -0.604 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -18.683 -0.279 -5.045 1.00 0.00 H new