USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 CYS SG : rot -150:sc= 0.336 USER MOD Set 1.2: A 60 CYS SG : rot 170:sc= -3.09 USER MOD Set 1.3: A 73 HIS :FLIP no HD1:sc= -1.31 F(o=-6.4,f=-5.8) USER MOD Set 1.4: A 78 HIS : no HE2:sc= -1.76 K(o=-5.8,f=-6.4) USER MOD Set 2.1: A 27 CYS SG : rot 100:sc= -0.328 USER MOD Set 2.2: A 30 CYS SG : rot -84:sc= -1.55 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -3.58! C(o=-5.3!,f=-5.4!) USER MOD Set 2.4: A 48 CYS SG : rot 164:sc= 0.161 USER MOD Single : A 14 GLN : amide:sc= -0.251 K(o=-0.25,f=-0.76) USER MOD Single : A 16 GLN : amide:sc= -0.762 K(o=-0.76,f=-2!) USER MOD Single : A 20 HIS : no HD1:sc= -2.92 X(o=-2.9,f=-2.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.827 K(o=-0.83,f=-3.6!) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.92 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.525 USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= -0.701 (180deg=-1.88!) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.316 (180deg=-1.16!) USER MOD Single : A 45 MET CE :methyl 172:sc= -2.39! (180deg=-2.53) USER MOD Single : A 49 GLN : amide:sc= -0.0324 K(o=-0.032,f=-1.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.07 K(o=-3.1,f=-5.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0647 X(o=-0.065,f=-0.54) USER MOD Single : A 59 HIS : no HD1:sc= -0.0525 X(o=-0.052,f=-0.14) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -2.95 K(o=-2.9,f=-19!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0485) USER MOD Single : A 71 ASN : amide:sc= -0.0277 K(o=-0.028,f=-0.86) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 71:sc= 0.592 USER MOD Single : A 75 MET CE :methyl 175:sc= 0 (180deg=-0.054) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.604 16.161 -7.169 1.00 0.00 N ATOM 95 CA PRO A 11 -4.696 15.679 -8.550 1.00 0.00 C ATOM 96 C PRO A 11 -3.341 15.654 -9.247 1.00 0.00 C ATOM 97 O PRO A 11 -2.950 14.643 -9.829 1.00 0.00 O ATOM 98 CB PRO A 11 -5.624 16.696 -9.220 1.00 0.00 C ATOM 99 CG PRO A 11 -5.469 17.939 -8.413 1.00 0.00 C ATOM 100 CD PRO A 11 -5.222 17.487 -7.000 1.00 0.00 C ATOM 0 HA PRO A 11 -5.059 14.653 -8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.344 16.862 -10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.658 16.350 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.639 18.542 -8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.364 18.558 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.563 18.173 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.149 17.429 -6.429 1.00 0.00 H new ATOM 108 N GLU A 12 -2.627 16.774 -9.183 1.00 0.00 N ATOM 109 CA GLU A 12 -1.314 16.880 -9.809 1.00 0.00 C ATOM 110 C GLU A 12 -0.314 17.542 -8.867 1.00 0.00 C ATOM 111 O GLU A 12 -0.034 18.735 -8.981 1.00 0.00 O ATOM 112 CB GLU A 12 -1.409 17.677 -11.112 1.00 0.00 C ATOM 113 CG GLU A 12 -2.330 17.049 -12.145 1.00 0.00 C ATOM 114 CD GLU A 12 -3.758 17.546 -12.033 1.00 0.00 C ATOM 115 OE1 GLU A 12 -3.969 18.602 -11.400 1.00 0.00 O ATOM 116 OE2 GLU A 12 -4.663 16.881 -12.577 1.00 0.00 O ATOM 0 H GLU A 12 -2.936 17.620 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.964 15.872 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.762 18.683 -10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.412 17.777 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.951 17.266 -13.144 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.316 15.965 -12.027 1.00 0.00 H new ATOM 123 N GLU A 13 0.221 16.758 -7.936 1.00 0.00 N ATOM 124 CA GLU A 13 1.190 17.269 -6.973 1.00 0.00 C ATOM 125 C GLU A 13 2.617 17.024 -7.454 1.00 0.00 C ATOM 126 O GLU A 13 3.428 17.947 -7.516 1.00 0.00 O ATOM 127 CB GLU A 13 0.980 16.611 -5.607 1.00 0.00 C ATOM 128 CG GLU A 13 1.414 17.480 -4.439 1.00 0.00 C ATOM 129 CD GLU A 13 1.737 16.671 -3.198 1.00 0.00 C ATOM 130 OE1 GLU A 13 2.835 16.080 -3.143 1.00 0.00 O ATOM 131 OE2 GLU A 13 0.890 16.631 -2.281 1.00 0.00 O ATOM 0 H GLU A 13 0.000 15.768 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 13 1.037 18.344 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.075 16.362 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.534 15.673 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.290 18.060 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.623 18.193 -4.208 1.00 0.00 H new ATOM 138 N GLN A 14 2.915 15.773 -7.792 1.00 0.00 N ATOM 139 CA GLN A 14 4.244 15.406 -8.266 1.00 0.00 C ATOM 140 C GLN A 14 4.408 15.747 -9.744 1.00 0.00 C ATOM 141 O GLN A 14 5.455 16.240 -10.164 1.00 0.00 O ATOM 142 CB GLN A 14 4.493 13.913 -8.045 1.00 0.00 C ATOM 143 CG GLN A 14 5.960 13.563 -7.857 1.00 0.00 C ATOM 144 CD GLN A 14 6.570 14.234 -6.642 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.886 14.485 -5.649 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.863 14.528 -6.714 1.00 0.00 N ATOM 0 H GLN A 14 2.254 14.997 -7.746 1.00 0.00 H new ATOM 0 HA GLN A 14 4.976 15.978 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.935 13.586 -7.168 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.102 13.358 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.062 12.482 -7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.516 13.857 -8.747 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.391 14.302 -7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.328 14.980 -5.927 1.00 0.00 H new ATOM 155 N TRP A 15 3.368 15.482 -10.526 1.00 0.00 N ATOM 156 CA TRP A 15 3.398 15.760 -11.957 1.00 0.00 C ATOM 157 C TRP A 15 3.630 17.245 -12.218 1.00 0.00 C ATOM 158 O TRP A 15 4.403 17.615 -13.101 1.00 0.00 O ATOM 159 CB TRP A 15 2.090 15.313 -12.612 1.00 0.00 C ATOM 160 CG TRP A 15 1.900 13.826 -12.604 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.864 12.876 -12.783 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.670 13.121 -12.409 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.307 11.622 -12.711 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.962 11.745 -12.481 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.650 13.517 -12.179 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.017 10.767 -12.332 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.622 12.545 -12.031 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.301 11.183 -12.108 1.00 0.00 C ATOM 0 H TRP A 15 2.494 15.075 -10.193 1.00 0.00 H new ATOM 0 HA TRP A 15 4.225 15.200 -12.394 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.254 15.782 -12.094 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.067 15.670 -13.642 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.910 13.080 -12.956 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.813 10.742 -12.812 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.907 14.564 -12.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.228 9.717 -12.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.646 12.840 -11.853 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.083 10.447 -11.988 1.00 0.00 H new ATOM 179 N GLN A 16 2.955 18.089 -11.445 1.00 0.00 N ATOM 180 CA GLN A 16 3.088 19.534 -11.594 1.00 0.00 C ATOM 181 C GLN A 16 4.454 20.007 -11.109 1.00 0.00 C ATOM 182 O GLN A 16 5.004 20.980 -11.625 1.00 0.00 O ATOM 183 CB GLN A 16 1.981 20.252 -10.821 1.00 0.00 C ATOM 184 CG GLN A 16 2.219 20.297 -9.320 1.00 0.00 C ATOM 185 CD GLN A 16 1.265 21.234 -8.606 1.00 0.00 C ATOM 186 OE1 GLN A 16 0.677 22.125 -9.219 1.00 0.00 O ATOM 187 NE2 GLN A 16 1.105 21.036 -7.302 1.00 0.00 N ATOM 0 H GLN A 16 2.311 17.798 -10.710 1.00 0.00 H new ATOM 0 HA GLN A 16 2.996 19.775 -12.653 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.889 21.271 -11.197 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.031 19.754 -11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.112 19.293 -8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.244 20.613 -9.128 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.613 20.285 -6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.475 21.635 -6.769 1.00 0.00 H new ATOM 196 N ARG A 17 4.996 19.313 -10.113 1.00 0.00 N ATOM 197 CA ARG A 17 6.297 19.664 -9.556 1.00 0.00 C ATOM 198 C ARG A 17 7.407 19.426 -10.576 1.00 0.00 C ATOM 199 O ARG A 17 8.403 20.147 -10.603 1.00 0.00 O ATOM 200 CB ARG A 17 6.570 18.851 -8.290 1.00 0.00 C ATOM 201 CG ARG A 17 6.069 19.516 -7.019 1.00 0.00 C ATOM 202 CD ARG A 17 6.225 18.603 -5.813 1.00 0.00 C ATOM 203 NE ARG A 17 5.476 19.089 -4.657 1.00 0.00 N ATOM 204 CZ ARG A 17 5.726 18.712 -3.408 1.00 0.00 C ATOM 205 NH1 ARG A 17 6.700 17.849 -3.155 1.00 0.00 N ATOM 206 NH2 ARG A 17 5.000 19.199 -2.409 1.00 0.00 N ATOM 0 H ARG A 17 4.554 18.504 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 17 6.281 20.724 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.099 17.873 -8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.643 18.681 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.620 20.441 -6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.020 19.787 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.883 17.601 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.281 18.523 -5.553 1.00 0.00 H new ATOM 0 HE ARG A 17 4.720 19.754 -4.818 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.260 17.473 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.890 17.561 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.250 19.863 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.192 18.909 -1.450 1.00 0.00 H new ATOM 220 N ALA A 18 7.226 18.409 -11.412 1.00 0.00 N ATOM 221 CA ALA A 18 8.211 18.077 -12.435 1.00 0.00 C ATOM 222 C ALA A 18 7.880 18.758 -13.758 1.00 0.00 C ATOM 223 O ALA A 18 8.766 19.013 -14.574 1.00 0.00 O ATOM 224 CB ALA A 18 8.290 16.569 -12.620 1.00 0.00 C ATOM 0 H ALA A 18 6.407 17.801 -11.401 1.00 0.00 H new ATOM 0 HA ALA A 18 9.182 18.443 -12.102 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.029 16.335 -13.386 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.582 16.102 -11.679 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.316 16.189 -12.927 1.00 0.00 H new ATOM 230 N ILE A 19 6.600 19.049 -13.964 1.00 0.00 N ATOM 231 CA ILE A 19 6.153 19.701 -15.189 1.00 0.00 C ATOM 232 C ILE A 19 6.684 21.128 -15.277 1.00 0.00 C ATOM 233 O ILE A 19 6.834 21.680 -16.368 1.00 0.00 O ATOM 234 CB ILE A 19 4.616 19.731 -15.283 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.087 18.380 -15.769 1.00 0.00 C ATOM 236 CG2 ILE A 19 4.164 20.848 -16.211 1.00 0.00 C ATOM 237 CD1 ILE A 19 2.623 18.158 -15.461 1.00 0.00 C ATOM 0 H ILE A 19 5.854 18.844 -13.299 1.00 0.00 H new ATOM 0 HA ILE A 19 6.548 19.116 -16.020 1.00 0.00 H new ATOM 0 HB ILE A 19 4.209 19.923 -14.290 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.239 18.306 -16.846 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.672 17.583 -15.309 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.075 20.856 -16.267 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.515 21.805 -15.826 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.577 20.684 -17.206 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.317 17.181 -15.834 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.468 18.200 -14.383 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.028 18.933 -15.944 1.00 0.00 H new ATOM 249 N HIS A 20 6.970 21.720 -14.122 1.00 0.00 N ATOM 250 CA HIS A 20 7.488 23.082 -14.068 1.00 0.00 C ATOM 251 C HIS A 20 8.996 23.082 -13.838 1.00 0.00 C ATOM 252 O HIS A 20 9.692 24.020 -14.224 1.00 0.00 O ATOM 253 CB HIS A 20 6.791 23.872 -12.960 1.00 0.00 C ATOM 254 CG HIS A 20 7.492 23.796 -11.639 1.00 0.00 C ATOM 255 ND1 HIS A 20 8.276 24.816 -11.143 1.00 0.00 N ATOM 256 CD2 HIS A 20 7.521 22.814 -10.708 1.00 0.00 C ATOM 257 CE1 HIS A 20 8.760 24.464 -9.965 1.00 0.00 C ATOM 258 NE2 HIS A 20 8.316 23.253 -9.678 1.00 0.00 N ATOM 0 H HIS A 20 6.852 21.278 -13.211 1.00 0.00 H new ATOM 0 HA HIS A 20 7.285 23.559 -15.027 1.00 0.00 H new ATOM 0 HB2 HIS A 20 6.715 24.916 -13.262 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.773 23.499 -12.844 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.013 21.862 -10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.408 25.064 -9.343 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.529 22.729 -8.829 1.00 0.00 H new ATOM 266 N GLU A 21 9.493 22.023 -13.205 1.00 0.00 N ATOM 267 CA GLU A 21 10.918 21.903 -12.922 1.00 0.00 C ATOM 268 C GLU A 21 11.698 21.567 -14.190 1.00 0.00 C ATOM 269 O GLU A 21 12.639 22.271 -14.558 1.00 0.00 O ATOM 270 CB GLU A 21 11.161 20.828 -11.861 1.00 0.00 C ATOM 271 CG GLU A 21 11.058 21.346 -10.436 1.00 0.00 C ATOM 272 CD GLU A 21 12.188 22.291 -10.075 1.00 0.00 C ATOM 273 OE1 GLU A 21 13.292 21.800 -9.758 1.00 0.00 O ATOM 274 OE2 GLU A 21 11.968 23.519 -10.110 1.00 0.00 O ATOM 0 H GLU A 21 8.930 21.237 -12.879 1.00 0.00 H new ATOM 0 HA GLU A 21 11.269 22.863 -12.543 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.439 20.023 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.151 20.398 -12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.105 21.860 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.060 20.502 -9.746 1.00 0.00 H new ATOM 281 N ARG A 22 11.301 20.486 -14.853 1.00 0.00 N ATOM 282 CA ARG A 22 11.963 20.054 -16.078 1.00 0.00 C ATOM 283 C ARG A 22 11.234 20.589 -17.307 1.00 0.00 C ATOM 284 O ARG A 22 11.704 21.514 -17.968 1.00 0.00 O ATOM 285 CB ARG A 22 12.031 18.527 -16.136 1.00 0.00 C ATOM 286 CG ARG A 22 12.763 17.905 -14.958 1.00 0.00 C ATOM 287 CD ARG A 22 14.260 18.160 -15.035 1.00 0.00 C ATOM 288 NE ARG A 22 14.624 19.459 -14.477 1.00 0.00 N ATOM 289 CZ ARG A 22 15.841 19.754 -14.033 1.00 0.00 C ATOM 290 NH1 ARG A 22 16.806 18.847 -14.082 1.00 0.00 N ATOM 291 NH2 ARG A 22 16.094 20.959 -13.539 1.00 0.00 N ATOM 0 H ARG A 22 10.524 19.893 -14.562 1.00 0.00 H new ATOM 0 HA ARG A 22 12.976 20.455 -16.074 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.017 18.128 -16.175 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.527 18.229 -17.060 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.370 18.314 -14.027 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.576 16.831 -14.938 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.790 17.373 -14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.583 18.109 -16.075 1.00 0.00 H new ATOM 0 HE ARG A 22 13.904 20.180 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.615 17.920 -14.461 1.00 0.00 H new ATOM 0 HH12 ARG A 22 17.739 19.076 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.354 21.660 -13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.029 21.185 -13.198 1.00 0.00 H new ATOM 305 N GLY A 23 10.081 19.998 -17.609 1.00 0.00 N ATOM 306 CA GLY A 23 9.306 20.427 -18.758 1.00 0.00 C ATOM 307 C GLY A 23 7.910 19.836 -18.769 1.00 0.00 C ATOM 308 O GLY A 23 6.921 20.566 -18.807 1.00 0.00 O ATOM 0 H GLY A 23 9.671 19.230 -17.078 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.237 21.515 -18.760 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.826 20.139 -19.671 1.00 0.00 H new ATOM 312 N GLU A 24 7.831 18.509 -18.737 1.00 0.00 N ATOM 313 CA GLU A 24 6.545 17.821 -18.746 1.00 0.00 C ATOM 314 C GLU A 24 6.677 16.414 -18.171 1.00 0.00 C ATOM 315 O GLU A 24 7.773 15.858 -18.108 1.00 0.00 O ATOM 316 CB GLU A 24 5.989 17.752 -20.170 1.00 0.00 C ATOM 317 CG GLU A 24 6.902 17.029 -21.146 1.00 0.00 C ATOM 318 CD GLU A 24 8.096 17.868 -21.558 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.920 19.084 -21.778 1.00 0.00 O ATOM 320 OE2 GLU A 24 9.208 17.307 -21.660 1.00 0.00 O ATOM 0 H GLU A 24 8.641 17.890 -18.705 1.00 0.00 H new ATOM 0 HA GLU A 24 5.854 18.387 -18.121 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.022 17.249 -20.149 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.814 18.765 -20.532 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.253 16.103 -20.691 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.333 16.753 -22.034 1.00 0.00 H new ATOM 327 N ALA A 25 5.551 15.845 -17.752 1.00 0.00 N ATOM 328 CA ALA A 25 5.540 14.503 -17.183 1.00 0.00 C ATOM 329 C ALA A 25 4.811 13.525 -18.099 1.00 0.00 C ATOM 330 O ALA A 25 3.596 13.356 -18.002 1.00 0.00 O ATOM 331 CB ALA A 25 4.895 14.519 -15.805 1.00 0.00 C ATOM 0 H ALA A 25 4.635 16.292 -17.796 1.00 0.00 H new ATOM 0 HA ALA A 25 6.573 14.168 -17.085 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.894 13.510 -15.392 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.459 15.180 -15.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.869 14.879 -15.888 1.00 0.00 H new ATOM 337 N VAL A 26 5.562 12.882 -18.987 1.00 0.00 N ATOM 338 CA VAL A 26 4.988 11.920 -19.920 1.00 0.00 C ATOM 339 C VAL A 26 4.492 10.676 -19.191 1.00 0.00 C ATOM 340 O VAL A 26 4.782 10.478 -18.011 1.00 0.00 O ATOM 341 CB VAL A 26 6.010 11.500 -20.993 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.470 12.708 -21.795 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.194 10.792 -20.353 1.00 0.00 C ATOM 0 H VAL A 26 6.570 13.010 -19.080 1.00 0.00 H new ATOM 0 HA VAL A 26 4.146 12.413 -20.405 1.00 0.00 H new ATOM 0 HB VAL A 26 5.526 10.803 -21.677 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.192 12.391 -22.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.612 13.167 -22.285 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.937 13.432 -21.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.906 10.502 -21.126 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.680 11.463 -19.645 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.846 9.902 -19.829 1.00 0.00 H new ATOM 353 N CYS A 27 3.743 9.840 -19.902 1.00 0.00 N ATOM 354 CA CYS A 27 3.206 8.614 -19.324 1.00 0.00 C ATOM 355 C CYS A 27 4.331 7.702 -18.841 1.00 0.00 C ATOM 356 O CYS A 27 5.212 7.305 -19.603 1.00 0.00 O ATOM 357 CB CYS A 27 2.343 7.877 -20.350 1.00 0.00 C ATOM 358 SG CYS A 27 1.416 6.466 -19.665 1.00 0.00 S ATOM 0 H CYS A 27 3.494 9.989 -20.880 1.00 0.00 H new ATOM 0 HA CYS A 27 2.589 8.886 -18.468 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.638 8.582 -20.790 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.982 7.520 -21.158 1.00 0.00 H new ATOM 0 HG CYS A 27 0.187 6.823 -19.439 1.00 0.00 H new ATOM 363 N PRO A 28 4.301 7.362 -17.544 1.00 0.00 N ATOM 364 CA PRO A 28 5.309 6.494 -16.929 1.00 0.00 C ATOM 365 C PRO A 28 5.202 5.051 -17.411 1.00 0.00 C ATOM 366 O PRO A 28 5.944 4.178 -16.959 1.00 0.00 O ATOM 367 CB PRO A 28 4.991 6.584 -15.434 1.00 0.00 C ATOM 368 CG PRO A 28 3.545 6.936 -15.375 1.00 0.00 C ATOM 369 CD PRO A 28 3.279 7.800 -16.577 1.00 0.00 C ATOM 0 HA PRO A 28 6.323 6.804 -17.182 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.189 5.638 -14.929 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.603 7.341 -14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.924 6.040 -15.393 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.310 7.468 -14.453 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.271 7.652 -16.963 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.377 8.859 -16.340 1.00 0.00 H new ATOM 377 N THR A 29 4.274 4.806 -18.330 1.00 0.00 N ATOM 378 CA THR A 29 4.069 3.469 -18.873 1.00 0.00 C ATOM 379 C THR A 29 4.670 3.343 -20.268 1.00 0.00 C ATOM 380 O THR A 29 5.487 2.458 -20.526 1.00 0.00 O ATOM 381 CB THR A 29 2.572 3.111 -18.937 1.00 0.00 C ATOM 382 OG1 THR A 29 2.000 3.163 -17.625 1.00 0.00 O ATOM 383 CG2 THR A 29 2.372 1.725 -19.529 1.00 0.00 C ATOM 0 H THR A 29 3.652 5.517 -18.714 1.00 0.00 H new ATOM 0 HA THR A 29 4.572 2.775 -18.200 1.00 0.00 H new ATOM 0 HB THR A 29 2.074 3.837 -19.579 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.048 2.936 -17.674 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.307 1.494 -19.564 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.783 1.698 -20.538 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.883 0.988 -18.910 1.00 0.00 H new ATOM 391 N CYS A 30 4.262 4.234 -21.165 1.00 0.00 N ATOM 392 CA CYS A 30 4.761 4.224 -22.535 1.00 0.00 C ATOM 393 C CYS A 30 5.442 5.546 -22.876 1.00 0.00 C ATOM 394 O CYS A 30 6.151 5.651 -23.876 1.00 0.00 O ATOM 395 CB CYS A 30 3.615 3.961 -23.515 1.00 0.00 C ATOM 396 SG CYS A 30 2.034 4.727 -23.034 1.00 0.00 S ATOM 0 H CYS A 30 3.587 4.973 -20.968 1.00 0.00 H new ATOM 0 HA CYS A 30 5.496 3.424 -22.621 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.901 4.331 -24.499 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.471 2.885 -23.609 1.00 0.00 H new ATOM 0 HG CYS A 30 1.412 3.950 -22.198 1.00 0.00 H new ATOM 401 N ASN A 31 5.222 6.553 -22.036 1.00 0.00 N ATOM 402 CA ASN A 31 5.814 7.868 -22.249 1.00 0.00 C ATOM 403 C ASN A 31 5.312 8.488 -23.549 1.00 0.00 C ATOM 404 O ASN A 31 6.101 8.924 -24.387 1.00 0.00 O ATOM 405 CB ASN A 31 7.340 7.765 -22.276 1.00 0.00 C ATOM 406 CG ASN A 31 7.914 7.322 -20.943 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.455 6.345 -20.352 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.922 8.042 -20.465 1.00 0.00 N ATOM 0 H ASN A 31 4.638 6.483 -21.202 1.00 0.00 H new ATOM 0 HA ASN A 31 5.514 8.511 -21.422 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.640 7.059 -23.050 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.762 8.733 -22.546 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.349 7.793 -19.573 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.270 8.844 -20.990 1.00 0.00 H new ATOM 415 N VAL A 32 3.993 8.523 -23.711 1.00 0.00 N ATOM 416 CA VAL A 32 3.385 9.090 -24.909 1.00 0.00 C ATOM 417 C VAL A 32 1.997 9.646 -24.609 1.00 0.00 C ATOM 418 O VAL A 32 1.044 8.893 -24.412 1.00 0.00 O ATOM 419 CB VAL A 32 3.274 8.042 -26.032 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.654 7.679 -26.561 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.541 6.805 -25.537 1.00 0.00 C ATOM 0 H VAL A 32 3.325 8.165 -23.028 1.00 0.00 H new ATOM 0 HA VAL A 32 4.035 9.900 -25.241 1.00 0.00 H new ATOM 0 HB VAL A 32 2.698 8.472 -26.851 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.556 6.937 -27.354 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.138 8.572 -26.957 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.257 7.268 -25.752 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.472 6.076 -26.344 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.086 6.369 -24.700 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.538 7.082 -25.212 1.00 0.00 H new ATOM 431 N VAL A 33 1.890 10.971 -24.577 1.00 0.00 N ATOM 432 CA VAL A 33 0.619 11.629 -24.303 1.00 0.00 C ATOM 433 C VAL A 33 0.673 13.106 -24.677 1.00 0.00 C ATOM 434 O VAL A 33 1.678 13.590 -25.198 1.00 0.00 O ATOM 435 CB VAL A 33 0.228 11.500 -22.819 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.584 10.235 -22.588 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.469 11.516 -21.939 1.00 0.00 C ATOM 0 H VAL A 33 2.669 11.609 -24.738 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.134 11.130 -24.913 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.393 12.354 -22.549 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.851 10.161 -21.534 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.492 10.270 -23.190 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.008 9.365 -22.874 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.175 11.424 -20.893 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.117 10.682 -22.208 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.006 12.454 -22.084 1.00 0.00 H new ATOM 447 N THR A 34 -0.416 13.819 -24.407 1.00 0.00 N ATOM 448 CA THR A 34 -0.494 15.242 -24.716 1.00 0.00 C ATOM 449 C THR A 34 0.829 15.941 -24.424 1.00 0.00 C ATOM 450 O THR A 34 1.633 15.460 -23.625 1.00 0.00 O ATOM 451 CB THR A 34 -1.613 15.930 -23.912 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.811 15.148 -23.971 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.887 17.326 -24.452 1.00 0.00 C ATOM 0 H THR A 34 -1.256 13.435 -23.975 1.00 0.00 H new ATOM 0 HA THR A 34 -0.718 15.323 -25.780 1.00 0.00 H new ATOM 0 HB THR A 34 -1.286 16.015 -22.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.581 15.711 -23.747 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.681 17.792 -23.869 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.981 17.928 -24.379 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.195 17.259 -25.495 1.00 0.00 H new ATOM 461 N ARG A 35 1.049 17.078 -25.076 1.00 0.00 N ATOM 462 CA ARG A 35 2.275 17.843 -24.886 1.00 0.00 C ATOM 463 C ARG A 35 2.438 18.255 -23.426 1.00 0.00 C ATOM 464 O ARG A 35 3.502 18.073 -22.833 1.00 0.00 O ATOM 465 CB ARG A 35 2.271 19.084 -25.781 1.00 0.00 C ATOM 466 CG ARG A 35 2.539 18.780 -27.245 1.00 0.00 C ATOM 467 CD ARG A 35 4.029 18.655 -27.525 1.00 0.00 C ATOM 468 NE ARG A 35 4.702 19.950 -27.495 1.00 0.00 N ATOM 469 CZ ARG A 35 4.669 20.819 -28.499 1.00 0.00 C ATOM 470 NH1 ARG A 35 4.000 20.532 -29.607 1.00 0.00 N ATOM 471 NH2 ARG A 35 5.307 21.978 -28.397 1.00 0.00 N ATOM 0 H ARG A 35 0.394 17.490 -25.741 1.00 0.00 H new ATOM 0 HA ARG A 35 3.117 17.208 -25.162 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.305 19.582 -25.693 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.025 19.784 -25.420 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.037 17.854 -27.523 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.116 19.570 -27.865 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.482 17.994 -26.787 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.177 18.192 -28.501 1.00 0.00 H new ATOM 0 HE ARG A 35 5.226 20.201 -26.657 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.509 19.642 -29.690 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.976 21.201 -30.376 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.824 22.203 -27.547 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.281 22.644 -29.169 1.00 0.00 H new ATOM 485 N LYS A 36 1.378 18.813 -22.852 1.00 0.00 N ATOM 486 CA LYS A 36 1.401 19.252 -21.462 1.00 0.00 C ATOM 487 C LYS A 36 1.254 18.065 -20.515 1.00 0.00 C ATOM 488 O LYS A 36 1.403 18.204 -19.300 1.00 0.00 O ATOM 489 CB LYS A 36 0.282 20.264 -21.206 1.00 0.00 C ATOM 490 CG LYS A 36 0.563 21.640 -21.784 1.00 0.00 C ATOM 491 CD LYS A 36 -0.611 22.582 -21.576 1.00 0.00 C ATOM 492 CE LYS A 36 -1.657 22.419 -22.668 1.00 0.00 C ATOM 493 NZ LYS A 36 -2.683 23.497 -22.619 1.00 0.00 N ATOM 0 H LYS A 36 0.491 18.972 -23.329 1.00 0.00 H new ATOM 0 HA LYS A 36 2.363 19.729 -21.273 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.646 19.883 -21.632 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.125 20.356 -20.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.454 22.058 -21.315 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.776 21.552 -22.849 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.065 22.390 -20.604 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.255 23.612 -21.563 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.169 22.426 -23.642 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.144 21.449 -22.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.377 23.350 -23.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.167 23.474 -21.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.222 24.421 -22.745 1.00 0.00 H new ATOM 507 N THR A 37 0.964 16.896 -21.078 1.00 0.00 N ATOM 508 CA THR A 37 0.797 15.686 -20.284 1.00 0.00 C ATOM 509 C THR A 37 0.088 15.985 -18.968 1.00 0.00 C ATOM 510 O THR A 37 0.454 15.453 -17.919 1.00 0.00 O ATOM 511 CB THR A 37 2.153 15.020 -19.983 1.00 0.00 C ATOM 512 OG1 THR A 37 2.873 15.791 -19.014 1.00 0.00 O ATOM 513 CG2 THR A 37 2.984 14.888 -21.251 1.00 0.00 C ATOM 0 H THR A 37 0.840 16.762 -22.082 1.00 0.00 H new ATOM 0 HA THR A 37 0.188 15.002 -20.875 1.00 0.00 H new ATOM 0 HB THR A 37 1.963 14.023 -19.586 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.386 15.785 -18.164 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.937 14.415 -21.014 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.446 14.277 -21.976 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.165 15.877 -21.672 1.00 0.00 H new ATOM 521 N LEU A 38 -0.929 16.837 -19.030 1.00 0.00 N ATOM 522 CA LEU A 38 -1.691 17.206 -17.842 1.00 0.00 C ATOM 523 C LEU A 38 -3.109 16.648 -17.909 1.00 0.00 C ATOM 524 O LEU A 38 -3.490 15.793 -17.110 1.00 0.00 O ATOM 525 CB LEU A 38 -1.736 18.728 -17.693 1.00 0.00 C ATOM 526 CG LEU A 38 -1.851 19.260 -16.264 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.728 18.346 -15.423 1.00 0.00 C ATOM 528 CD2 LEU A 38 -0.472 19.404 -15.637 1.00 0.00 C ATOM 0 H LEU A 38 -1.245 17.285 -19.890 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.192 16.777 -16.973 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.834 19.144 -18.143 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.582 19.104 -18.269 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.317 20.245 -16.299 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.798 18.741 -14.409 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.724 18.293 -15.862 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.291 17.348 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.572 19.784 -14.620 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.021 18.432 -15.614 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.125 20.100 -16.227 1.00 0.00 H new ATOM 540 N VAL A 39 -3.887 17.137 -18.870 1.00 0.00 N ATOM 541 CA VAL A 39 -5.262 16.685 -19.045 1.00 0.00 C ATOM 542 C VAL A 39 -5.310 15.329 -19.742 1.00 0.00 C ATOM 543 O VAL A 39 -6.178 14.504 -19.458 1.00 0.00 O ATOM 544 CB VAL A 39 -6.087 17.698 -19.860 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.425 18.915 -19.012 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.336 18.107 -21.118 1.00 0.00 C ATOM 0 H VAL A 39 -3.588 17.846 -19.539 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.694 16.594 -18.049 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.021 17.223 -20.160 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.008 19.620 -19.604 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.005 18.603 -18.143 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.504 19.394 -18.680 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.934 18.823 -21.682 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.386 18.565 -20.842 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.149 17.226 -21.733 1.00 0.00 H new ATOM 556 N GLY A 40 -4.371 15.106 -20.656 1.00 0.00 N ATOM 557 CA GLY A 40 -4.325 13.849 -21.380 1.00 0.00 C ATOM 558 C GLY A 40 -3.676 12.740 -20.574 1.00 0.00 C ATOM 559 O GLY A 40 -4.234 11.650 -20.444 1.00 0.00 O ATOM 0 H GLY A 40 -3.642 15.773 -20.908 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.338 13.552 -21.651 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.774 13.989 -22.310 1.00 0.00 H new ATOM 563 N LEU A 41 -2.495 13.017 -20.034 1.00 0.00 N ATOM 564 CA LEU A 41 -1.768 12.034 -19.238 1.00 0.00 C ATOM 565 C LEU A 41 -2.720 11.246 -18.345 1.00 0.00 C ATOM 566 O LEU A 41 -2.551 10.043 -18.147 1.00 0.00 O ATOM 567 CB LEU A 41 -0.704 12.726 -18.384 1.00 0.00 C ATOM 568 CG LEU A 41 -0.003 11.850 -17.346 1.00 0.00 C ATOM 569 CD1 LEU A 41 1.227 11.188 -17.949 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.377 12.672 -16.123 1.00 0.00 C ATOM 0 H LEU A 41 -2.020 13.914 -20.133 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.280 11.338 -19.921 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.053 13.143 -19.049 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.171 13.565 -17.867 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.694 11.068 -17.033 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.713 10.568 -17.195 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.929 10.566 -18.793 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.922 11.955 -18.291 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.875 12.032 -15.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.050 13.476 -16.420 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.522 13.098 -15.677 1.00 0.00 H new ATOM 582 N LYS A 42 -3.724 11.932 -17.808 1.00 0.00 N ATOM 583 CA LYS A 42 -4.707 11.296 -16.938 1.00 0.00 C ATOM 584 C LYS A 42 -5.741 10.529 -17.755 1.00 0.00 C ATOM 585 O LYS A 42 -5.942 9.331 -17.554 1.00 0.00 O ATOM 586 CB LYS A 42 -5.404 12.346 -16.070 1.00 0.00 C ATOM 587 CG LYS A 42 -4.444 13.299 -15.380 1.00 0.00 C ATOM 588 CD LYS A 42 -5.156 14.547 -14.885 1.00 0.00 C ATOM 589 CE LYS A 42 -5.958 15.209 -15.995 1.00 0.00 C ATOM 590 NZ LYS A 42 -7.381 14.771 -15.988 1.00 0.00 N ATOM 0 H LYS A 42 -3.878 12.929 -17.960 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.183 10.590 -16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.090 12.921 -16.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.006 11.840 -15.315 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.969 12.793 -14.540 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.651 13.582 -16.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.820 14.286 -14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.424 15.253 -14.493 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.911 16.292 -15.881 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.509 14.970 -16.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.682 14.553 -16.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.480 13.922 -15.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.977 15.532 -15.604 1.00 0.00 H new ATOM 604 N LYS A 43 -6.395 11.226 -18.679 1.00 0.00 N ATOM 605 CA LYS A 43 -7.407 10.610 -19.529 1.00 0.00 C ATOM 606 C LYS A 43 -6.798 9.505 -20.386 1.00 0.00 C ATOM 607 O LYS A 43 -7.516 8.721 -21.007 1.00 0.00 O ATOM 608 CB LYS A 43 -8.060 11.665 -20.425 1.00 0.00 C ATOM 609 CG LYS A 43 -8.641 12.840 -19.657 1.00 0.00 C ATOM 610 CD LYS A 43 -8.548 14.129 -20.457 1.00 0.00 C ATOM 611 CE LYS A 43 -9.787 14.345 -21.311 1.00 0.00 C ATOM 612 NZ LYS A 43 -11.032 14.339 -20.494 1.00 0.00 N ATOM 0 H LYS A 43 -6.242 12.218 -18.858 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.167 10.168 -18.885 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.320 12.036 -21.134 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.852 11.195 -21.007 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.684 12.637 -19.413 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.109 12.957 -18.713 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.422 14.972 -19.778 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.665 14.099 -21.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.703 15.295 -21.838 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.846 13.564 -22.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.749 14.940 -20.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.393 13.367 -20.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.825 14.706 -19.543 1.00 0.00 H new ATOM 626 N HIS A 44 -5.470 9.448 -20.416 1.00 0.00 N ATOM 627 CA HIS A 44 -4.765 8.438 -21.196 1.00 0.00 C ATOM 628 C HIS A 44 -4.400 7.238 -20.327 1.00 0.00 C ATOM 629 O HIS A 44 -4.704 6.096 -20.670 1.00 0.00 O ATOM 630 CB HIS A 44 -3.503 9.034 -21.820 1.00 0.00 C ATOM 631 CG HIS A 44 -2.489 8.006 -22.219 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.283 7.620 -23.526 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.620 7.284 -21.473 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.333 6.703 -23.568 1.00 0.00 C ATOM 635 NE2 HIS A 44 -0.913 6.482 -22.335 1.00 0.00 N ATOM 0 H HIS A 44 -4.861 10.090 -19.909 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.429 8.100 -21.992 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.782 9.617 -22.698 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.048 9.725 -21.110 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.504 7.330 -20.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.963 6.217 -24.458 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.182 5.823 -22.067 1.00 0.00 H new ATOM 643 N MET A 45 -3.746 7.506 -19.202 1.00 0.00 N ATOM 644 CA MET A 45 -3.340 6.448 -18.284 1.00 0.00 C ATOM 645 C MET A 45 -4.539 5.606 -17.859 1.00 0.00 C ATOM 646 O MET A 45 -4.433 4.389 -17.711 1.00 0.00 O ATOM 647 CB MET A 45 -2.659 7.046 -17.051 1.00 0.00 C ATOM 648 CG MET A 45 -3.634 7.464 -15.962 1.00 0.00 C ATOM 649 SD MET A 45 -2.803 7.974 -14.445 1.00 0.00 S ATOM 650 CE MET A 45 -1.517 9.033 -15.103 1.00 0.00 C ATOM 0 H MET A 45 -3.486 8.446 -18.904 1.00 0.00 H new ATOM 0 HA MET A 45 -2.632 5.803 -18.804 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.961 6.316 -16.642 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.072 7.913 -17.355 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.251 8.285 -16.327 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.305 6.634 -15.743 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.006 9.538 -14.283 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.800 8.431 -15.661 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.961 9.776 -15.766 1.00 0.00 H new ATOM 660 N GLU A 46 -5.678 6.263 -17.665 1.00 0.00 N ATOM 661 CA GLU A 46 -6.897 5.574 -17.256 1.00 0.00 C ATOM 662 C GLU A 46 -7.097 4.297 -18.067 1.00 0.00 C ATOM 663 O GLU A 46 -7.365 3.231 -17.511 1.00 0.00 O ATOM 664 CB GLU A 46 -8.109 6.492 -17.423 1.00 0.00 C ATOM 665 CG GLU A 46 -8.236 7.085 -18.816 1.00 0.00 C ATOM 666 CD GLU A 46 -9.426 8.016 -18.947 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.738 8.722 -17.965 1.00 0.00 O ATOM 668 OE2 GLU A 46 -10.046 8.039 -20.031 1.00 0.00 O ATOM 0 H GLU A 46 -5.782 7.271 -17.784 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.797 5.305 -16.204 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.014 5.930 -17.193 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.043 7.302 -16.697 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.324 7.630 -19.059 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.329 6.278 -19.543 1.00 0.00 H new ATOM 675 N VAL A 47 -6.966 4.412 -19.385 1.00 0.00 N ATOM 676 CA VAL A 47 -7.132 3.268 -20.273 1.00 0.00 C ATOM 677 C VAL A 47 -5.796 2.584 -20.544 1.00 0.00 C ATOM 678 O VAL A 47 -5.741 1.377 -20.778 1.00 0.00 O ATOM 679 CB VAL A 47 -7.764 3.685 -21.614 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.156 4.258 -21.393 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.874 4.687 -22.333 1.00 0.00 C ATOM 0 H VAL A 47 -6.745 5.287 -19.861 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.799 2.569 -19.768 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.857 2.800 -22.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.587 4.547 -22.352 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.789 3.505 -20.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.091 5.133 -20.746 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.336 4.971 -23.279 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.747 5.573 -21.711 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.900 4.236 -22.526 1.00 0.00 H new ATOM 691 N CYS A 48 -4.721 3.364 -20.509 1.00 0.00 N ATOM 692 CA CYS A 48 -3.384 2.835 -20.751 1.00 0.00 C ATOM 693 C CYS A 48 -3.229 1.447 -20.135 1.00 0.00 C ATOM 694 O CYS A 48 -3.076 0.456 -20.848 1.00 0.00 O ATOM 695 CB CYS A 48 -2.327 3.781 -20.176 1.00 0.00 C ATOM 696 SG CYS A 48 -0.616 3.341 -20.620 1.00 0.00 S ATOM 0 H CYS A 48 -4.750 4.365 -20.315 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.242 2.753 -21.829 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.533 4.793 -20.524 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.418 3.793 -19.090 1.00 0.00 H new ATOM 0 HG CYS A 48 0.164 4.357 -20.400 1.00 0.00 H new ATOM 701 N GLN A 49 -3.269 1.386 -18.808 1.00 0.00 N ATOM 702 CA GLN A 49 -3.133 0.121 -18.097 1.00 0.00 C ATOM 703 C GLN A 49 -4.075 -0.931 -18.673 1.00 0.00 C ATOM 704 O GLN A 49 -3.681 -2.076 -18.899 1.00 0.00 O ATOM 705 CB GLN A 49 -3.416 0.316 -16.607 1.00 0.00 C ATOM 706 CG GLN A 49 -4.816 0.833 -16.316 1.00 0.00 C ATOM 707 CD GLN A 49 -4.964 1.350 -14.899 1.00 0.00 C ATOM 708 OE1 GLN A 49 -3.979 1.685 -14.242 1.00 0.00 O ATOM 709 NE2 GLN A 49 -6.201 1.419 -14.420 1.00 0.00 N ATOM 0 H GLN A 49 -3.395 2.198 -18.204 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.108 -0.229 -18.222 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.274 -0.634 -16.091 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.687 1.014 -16.196 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.057 1.632 -17.017 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.537 0.033 -16.484 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.989 1.131 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.363 1.760 -13.473 1.00 0.00 H new ATOM 718 N LYS A 50 -5.322 -0.537 -18.908 1.00 0.00 N ATOM 719 CA LYS A 50 -6.321 -1.445 -19.459 1.00 0.00 C ATOM 720 C LYS A 50 -5.866 -2.006 -20.802 1.00 0.00 C ATOM 721 O LYS A 50 -6.060 -3.187 -21.091 1.00 0.00 O ATOM 722 CB LYS A 50 -7.660 -0.722 -19.623 1.00 0.00 C ATOM 723 CG LYS A 50 -8.696 -1.528 -20.388 1.00 0.00 C ATOM 724 CD LYS A 50 -9.658 -0.627 -21.143 1.00 0.00 C ATOM 725 CE LYS A 50 -10.345 -1.370 -22.278 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.262 -2.429 -21.773 1.00 0.00 N ATOM 0 H LYS A 50 -5.665 0.406 -18.725 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.445 -2.275 -18.763 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.056 -0.480 -18.637 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.492 0.223 -20.140 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.194 -2.195 -21.089 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.254 -2.157 -19.694 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.409 -0.237 -20.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.117 0.230 -21.543 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.908 -0.663 -22.887 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.592 -1.820 -22.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.711 -2.912 -22.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.721 -3.118 -21.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.996 -1.997 -21.176 1.00 0.00 H new ATOM 740 N LEU A 51 -5.258 -1.152 -21.619 1.00 0.00 N ATOM 741 CA LEU A 51 -4.773 -1.563 -22.932 1.00 0.00 C ATOM 742 C LEU A 51 -3.477 -2.357 -22.809 1.00 0.00 C ATOM 743 O LEU A 51 -3.426 -3.538 -23.153 1.00 0.00 O ATOM 744 CB LEU A 51 -4.553 -0.339 -23.822 1.00 0.00 C ATOM 745 CG LEU A 51 -5.799 0.228 -24.504 1.00 0.00 C ATOM 746 CD1 LEU A 51 -6.289 -0.715 -25.591 1.00 0.00 C ATOM 747 CD2 LEU A 51 -6.897 0.482 -23.481 1.00 0.00 C ATOM 0 H LEU A 51 -5.089 -0.171 -21.395 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.528 -2.204 -23.387 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.104 0.449 -23.217 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.829 -0.601 -24.593 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.535 1.178 -24.969 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.176 -0.295 -26.065 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.506 -0.847 -26.338 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.536 -1.681 -25.150 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.776 0.885 -23.983 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.158 -0.454 -22.988 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.544 1.197 -22.738 1.00 0.00 H new ATOM 759 N GLN A 52 -2.431 -1.701 -22.316 1.00 0.00 N ATOM 760 CA GLN A 52 -1.135 -2.346 -22.147 1.00 0.00 C ATOM 761 C GLN A 52 -1.284 -3.689 -21.439 1.00 0.00 C ATOM 762 O GLN A 52 -0.695 -4.688 -21.853 1.00 0.00 O ATOM 763 CB GLN A 52 -0.190 -1.441 -21.354 1.00 0.00 C ATOM 764 CG GLN A 52 1.124 -2.108 -20.984 1.00 0.00 C ATOM 765 CD GLN A 52 2.264 -1.118 -20.849 1.00 0.00 C ATOM 766 OE1 GLN A 52 2.383 -0.179 -21.637 1.00 0.00 O ATOM 767 NE2 GLN A 52 3.110 -1.322 -19.846 1.00 0.00 N ATOM 0 H GLN A 52 -2.456 -0.723 -22.027 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.713 -2.522 -23.137 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.019 -0.546 -21.940 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.692 -1.116 -20.443 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.002 -2.646 -20.044 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.378 -2.847 -21.743 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.974 -2.113 -19.217 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.896 -0.688 -19.705 1.00 0.00 H new ATOM 776 N ASP A 53 -2.074 -3.705 -20.371 1.00 0.00 N ATOM 777 CA ASP A 53 -2.301 -4.926 -19.606 1.00 0.00 C ATOM 778 C ASP A 53 -2.615 -6.097 -20.532 1.00 0.00 C ATOM 779 O ASP A 53 -2.119 -7.206 -20.336 1.00 0.00 O ATOM 780 CB ASP A 53 -3.445 -4.724 -18.612 1.00 0.00 C ATOM 781 CG ASP A 53 -3.833 -6.010 -17.908 1.00 0.00 C ATOM 782 OD1 ASP A 53 -4.221 -6.972 -18.603 1.00 0.00 O ATOM 783 OD2 ASP A 53 -3.751 -6.053 -16.662 1.00 0.00 O ATOM 0 H ASP A 53 -2.568 -2.887 -20.015 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.389 -5.156 -19.056 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.151 -3.981 -17.870 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.313 -4.324 -19.137 1.00 0.00 H new ATOM 788 N ALA A 54 -3.442 -5.842 -21.540 1.00 0.00 N ATOM 789 CA ALA A 54 -3.821 -6.874 -22.497 1.00 0.00 C ATOM 790 C ALA A 54 -2.597 -7.438 -23.211 1.00 0.00 C ATOM 791 O ALA A 54 -2.238 -8.601 -23.025 1.00 0.00 O ATOM 792 CB ALA A 54 -4.815 -6.319 -23.507 1.00 0.00 C ATOM 0 H ALA A 54 -3.863 -4.929 -21.715 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.295 -7.687 -21.947 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.089 -7.101 -24.215 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.708 -5.972 -22.986 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.361 -5.486 -24.044 1.00 0.00 H new ATOM 798 N LEU A 55 -1.961 -6.607 -24.029 1.00 0.00 N ATOM 799 CA LEU A 55 -0.777 -7.022 -24.773 1.00 0.00 C ATOM 800 C LEU A 55 0.254 -7.657 -23.844 1.00 0.00 C ATOM 801 O LEU A 55 0.946 -8.603 -24.221 1.00 0.00 O ATOM 802 CB LEU A 55 -0.159 -5.825 -25.497 1.00 0.00 C ATOM 803 CG LEU A 55 -0.930 -5.304 -26.710 1.00 0.00 C ATOM 804 CD1 LEU A 55 -0.815 -6.276 -27.874 1.00 0.00 C ATOM 805 CD2 LEU A 55 -2.390 -5.067 -26.352 1.00 0.00 C ATOM 0 H LEU A 55 -2.245 -5.641 -24.194 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.083 -7.765 -25.510 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.051 -5.009 -24.782 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.845 -6.100 -25.820 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.492 -4.353 -27.014 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.370 -5.888 -28.728 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.234 -6.395 -28.146 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.226 -7.243 -27.583 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.924 -4.696 -27.227 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.840 -6.003 -26.022 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.453 -4.331 -25.550 1.00 0.00 H new ATOM 817 N LYS A 56 0.350 -7.132 -22.628 1.00 0.00 N ATOM 818 CA LYS A 56 1.293 -7.648 -21.643 1.00 0.00 C ATOM 819 C LYS A 56 1.032 -9.124 -21.362 1.00 0.00 C ATOM 820 O LYS A 56 -0.115 -9.545 -21.210 1.00 0.00 O ATOM 821 CB LYS A 56 1.195 -6.845 -20.343 1.00 0.00 C ATOM 822 CG LYS A 56 2.350 -7.092 -19.388 1.00 0.00 C ATOM 823 CD LYS A 56 2.177 -6.317 -18.093 1.00 0.00 C ATOM 824 CE LYS A 56 3.520 -5.969 -17.468 1.00 0.00 C ATOM 825 NZ LYS A 56 3.390 -5.644 -16.020 1.00 0.00 N ATOM 0 H LYS A 56 -0.215 -6.348 -22.300 1.00 0.00 H new ATOM 0 HA LYS A 56 2.299 -7.546 -22.051 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.154 -5.783 -20.584 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.260 -7.094 -19.841 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.421 -8.157 -19.169 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.286 -6.802 -19.865 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.617 -5.402 -18.287 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.589 -6.907 -17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.206 -6.807 -17.592 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.956 -5.119 -17.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.326 -5.412 -15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.755 -4.829 -15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.998 -6.464 -15.514 1.00 0.00 H new ATOM 839 N CYS A 57 2.104 -9.907 -21.292 1.00 0.00 N ATOM 840 CA CYS A 57 1.992 -11.336 -21.028 1.00 0.00 C ATOM 841 C CYS A 57 1.993 -11.614 -19.528 1.00 0.00 C ATOM 842 O CYS A 57 2.027 -10.689 -18.716 1.00 0.00 O ATOM 843 CB CYS A 57 3.141 -12.092 -21.699 1.00 0.00 C ATOM 844 SG CYS A 57 2.717 -13.789 -22.209 1.00 0.00 S ATOM 0 H CYS A 57 3.061 -9.575 -21.415 1.00 0.00 H new ATOM 0 HA CYS A 57 1.046 -11.683 -21.443 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.468 -11.532 -22.575 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.986 -12.131 -21.012 1.00 0.00 H new ATOM 0 HG CYS A 57 3.783 -14.532 -22.172 1.00 0.00 H new ATOM 849 N GLN A 58 1.955 -12.893 -19.168 1.00 0.00 N ATOM 850 CA GLN A 58 1.952 -13.292 -17.766 1.00 0.00 C ATOM 851 C GLN A 58 3.108 -14.240 -17.466 1.00 0.00 C ATOM 852 O GLN A 58 3.856 -14.041 -16.509 1.00 0.00 O ATOM 853 CB GLN A 58 0.623 -13.960 -17.407 1.00 0.00 C ATOM 854 CG GLN A 58 0.383 -14.073 -15.910 1.00 0.00 C ATOM 855 CD GLN A 58 0.112 -12.731 -15.260 1.00 0.00 C ATOM 856 OE1 GLN A 58 -0.606 -11.895 -15.809 1.00 0.00 O ATOM 857 NE2 GLN A 58 0.688 -12.516 -14.083 1.00 0.00 N ATOM 0 H GLN A 58 1.926 -13.670 -19.828 1.00 0.00 H new ATOM 0 HA GLN A 58 2.076 -12.395 -17.159 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.192 -13.392 -17.855 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.597 -14.957 -17.847 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.463 -14.737 -15.731 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.253 -14.531 -15.440 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.276 -13.236 -13.664 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.543 -11.630 -13.598 1.00 0.00 H new ATOM 866 N HIS A 59 3.250 -15.272 -18.292 1.00 0.00 N ATOM 867 CA HIS A 59 4.316 -16.252 -18.115 1.00 0.00 C ATOM 868 C HIS A 59 5.685 -15.582 -18.181 1.00 0.00 C ATOM 869 O HIS A 59 6.565 -15.863 -17.367 1.00 0.00 O ATOM 870 CB HIS A 59 4.217 -17.342 -19.182 1.00 0.00 C ATOM 871 CG HIS A 59 3.076 -18.289 -18.967 1.00 0.00 C ATOM 872 ND1 HIS A 59 2.752 -18.807 -17.731 1.00 0.00 N ATOM 873 CD2 HIS A 59 2.181 -18.809 -19.839 1.00 0.00 C ATOM 874 CE1 HIS A 59 1.707 -19.607 -17.853 1.00 0.00 C ATOM 875 NE2 HIS A 59 1.341 -19.625 -19.122 1.00 0.00 N ATOM 0 H HIS A 59 2.641 -15.451 -19.090 1.00 0.00 H new ATOM 0 HA HIS A 59 4.200 -16.706 -17.131 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.110 -16.873 -20.160 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.149 -17.907 -19.200 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.136 -18.618 -20.901 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.233 -20.153 -17.051 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.561 -20.158 -19.507 1.00 0.00 H new ATOM 883 N CYS A 60 5.859 -14.696 -19.156 1.00 0.00 N ATOM 884 CA CYS A 60 7.121 -13.987 -19.330 1.00 0.00 C ATOM 885 C CYS A 60 7.046 -12.588 -18.724 1.00 0.00 C ATOM 886 O CYS A 60 8.068 -11.929 -18.531 1.00 0.00 O ATOM 887 CB CYS A 60 7.477 -13.893 -20.815 1.00 0.00 C ATOM 888 SG CYS A 60 6.344 -12.848 -21.787 1.00 0.00 S ATOM 0 H CYS A 60 5.141 -14.452 -19.838 1.00 0.00 H new ATOM 0 HA CYS A 60 7.899 -14.548 -18.812 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.489 -13.500 -20.911 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.483 -14.897 -21.240 1.00 0.00 H new ATOM 0 HG CYS A 60 6.840 -12.657 -22.973 1.00 0.00 H new ATOM 893 N ARG A 61 5.830 -12.142 -18.427 1.00 0.00 N ATOM 894 CA ARG A 61 5.622 -10.822 -17.844 1.00 0.00 C ATOM 895 C ARG A 61 6.306 -9.744 -18.680 1.00 0.00 C ATOM 896 O ARG A 61 7.084 -8.942 -18.163 1.00 0.00 O ATOM 897 CB ARG A 61 6.155 -10.784 -16.410 1.00 0.00 C ATOM 898 CG ARG A 61 5.501 -11.803 -15.491 1.00 0.00 C ATOM 899 CD ARG A 61 6.280 -13.108 -15.461 1.00 0.00 C ATOM 900 NE ARG A 61 7.380 -13.067 -14.500 1.00 0.00 N ATOM 901 CZ ARG A 61 7.227 -13.281 -13.198 1.00 0.00 C ATOM 902 NH1 ARG A 61 6.026 -13.550 -12.704 1.00 0.00 N ATOM 903 NH2 ARG A 61 8.276 -13.227 -12.388 1.00 0.00 N ATOM 0 H ARG A 61 4.974 -12.675 -18.580 1.00 0.00 H new ATOM 0 HA ARG A 61 4.550 -10.623 -17.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.231 -10.959 -16.426 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.001 -9.786 -16.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.434 -11.395 -14.483 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.481 -11.994 -15.825 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.607 -13.926 -15.206 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.675 -13.318 -16.455 1.00 0.00 H new ATOM 0 HE ARG A 61 8.317 -12.863 -14.848 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.217 -13.593 -13.324 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.911 -13.714 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.201 -13.021 -12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.157 -13.391 -11.388 1.00 0.00 H new ATOM 917 N LYS A 62 6.012 -9.733 -19.976 1.00 0.00 N ATOM 918 CA LYS A 62 6.597 -8.754 -20.885 1.00 0.00 C ATOM 919 C LYS A 62 5.513 -8.043 -21.689 1.00 0.00 C ATOM 920 O LYS A 62 4.471 -8.623 -21.990 1.00 0.00 O ATOM 921 CB LYS A 62 7.586 -9.436 -21.833 1.00 0.00 C ATOM 922 CG LYS A 62 8.989 -9.559 -21.264 1.00 0.00 C ATOM 923 CD LYS A 62 9.845 -10.505 -22.089 1.00 0.00 C ATOM 924 CE LYS A 62 10.437 -9.807 -23.303 1.00 0.00 C ATOM 925 NZ LYS A 62 11.553 -10.589 -23.903 1.00 0.00 N ATOM 0 H LYS A 62 5.372 -10.391 -20.420 1.00 0.00 H new ATOM 0 HA LYS A 62 7.128 -8.012 -20.288 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.214 -10.431 -22.078 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.629 -8.873 -22.765 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.458 -8.575 -21.234 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.935 -9.918 -20.236 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.648 -10.904 -21.470 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.242 -11.353 -22.414 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.658 -9.654 -24.050 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.799 -8.820 -23.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.930 -10.080 -24.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.308 -10.713 -23.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.202 -11.521 -24.202 1.00 0.00 H new ATOM 939 N GLN A 63 5.769 -6.785 -22.034 1.00 0.00 N ATOM 940 CA GLN A 63 4.814 -5.996 -22.804 1.00 0.00 C ATOM 941 C GLN A 63 5.118 -6.079 -24.296 1.00 0.00 C ATOM 942 O GLN A 63 6.270 -5.953 -24.714 1.00 0.00 O ATOM 943 CB GLN A 63 4.840 -4.537 -22.346 1.00 0.00 C ATOM 944 CG GLN A 63 3.488 -3.848 -22.432 1.00 0.00 C ATOM 945 CD GLN A 63 2.675 -4.304 -23.627 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.124 -5.406 -23.634 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.596 -3.458 -24.647 1.00 0.00 N ATOM 0 H GLN A 63 6.628 -6.291 -21.793 1.00 0.00 H new ATOM 0 HA GLN A 63 3.819 -6.406 -22.631 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.195 -4.494 -21.316 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.558 -3.987 -22.954 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.926 -4.044 -21.519 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.637 -2.770 -22.489 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.068 -2.555 -24.599 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.063 -3.711 -25.479 1.00 0.00 H new ATOM 956 N PHE A 64 4.078 -6.292 -25.096 1.00 0.00 N ATOM 957 CA PHE A 64 4.234 -6.393 -26.542 1.00 0.00 C ATOM 958 C PHE A 64 3.521 -5.243 -27.248 1.00 0.00 C ATOM 959 O PHE A 64 2.454 -4.802 -26.819 1.00 0.00 O ATOM 960 CB PHE A 64 3.687 -7.731 -27.043 1.00 0.00 C ATOM 961 CG PHE A 64 4.545 -8.906 -26.672 1.00 0.00 C ATOM 962 CD1 PHE A 64 4.780 -9.218 -25.343 1.00 0.00 C ATOM 963 CD2 PHE A 64 5.119 -9.699 -27.654 1.00 0.00 C ATOM 964 CE1 PHE A 64 5.569 -10.299 -24.999 1.00 0.00 C ATOM 965 CE2 PHE A 64 5.909 -10.781 -27.315 1.00 0.00 C ATOM 966 CZ PHE A 64 6.135 -11.081 -25.986 1.00 0.00 C ATOM 0 H PHE A 64 3.118 -6.398 -24.767 1.00 0.00 H new ATOM 0 HA PHE A 64 5.298 -6.334 -26.772 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.686 -7.880 -26.638 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.589 -7.691 -28.128 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.341 -8.609 -24.566 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.947 -9.469 -28.695 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.743 -10.532 -23.959 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.350 -11.392 -28.089 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.753 -11.926 -25.719 1.00 0.00 H new ATOM 976 N LYS A 65 4.119 -4.761 -28.332 1.00 0.00 N ATOM 977 CA LYS A 65 3.543 -3.663 -29.099 1.00 0.00 C ATOM 978 C LYS A 65 2.906 -4.174 -30.388 1.00 0.00 C ATOM 979 O LYS A 65 3.067 -3.575 -31.451 1.00 0.00 O ATOM 980 CB LYS A 65 4.618 -2.623 -29.427 1.00 0.00 C ATOM 981 CG LYS A 65 4.057 -1.314 -29.954 1.00 0.00 C ATOM 982 CD LYS A 65 3.697 -0.365 -28.822 1.00 0.00 C ATOM 983 CE LYS A 65 3.074 0.918 -29.348 1.00 0.00 C ATOM 984 NZ LYS A 65 1.612 0.768 -29.586 1.00 0.00 N ATOM 0 H LYS A 65 5.003 -5.114 -28.699 1.00 0.00 H new ATOM 0 HA LYS A 65 2.768 -3.197 -28.491 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.204 -2.423 -28.530 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.301 -3.040 -30.167 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.789 -0.840 -30.608 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.172 -1.513 -30.558 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.002 -0.856 -28.141 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.592 -0.127 -28.247 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.245 1.724 -28.634 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.566 1.206 -30.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.225 1.664 -29.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.450 0.016 -30.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.139 0.518 -28.694 1.00 0.00 H new ATOM 998 N SER A 66 2.182 -5.284 -30.285 1.00 0.00 N ATOM 999 CA SER A 66 1.523 -5.877 -31.442 1.00 0.00 C ATOM 1000 C SER A 66 0.626 -7.037 -31.022 1.00 0.00 C ATOM 1001 O SER A 66 1.107 -8.108 -30.650 1.00 0.00 O ATOM 1002 CB SER A 66 2.563 -6.363 -32.454 1.00 0.00 C ATOM 1003 OG SER A 66 2.001 -6.473 -33.750 1.00 0.00 O ATOM 0 H SER A 66 2.037 -5.791 -29.412 1.00 0.00 H new ATOM 0 HA SER A 66 0.903 -5.111 -31.907 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.404 -5.670 -32.477 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.955 -7.331 -32.141 1.00 0.00 H new ATOM 0 HG SER A 66 2.686 -6.784 -34.378 1.00 0.00 H new ATOM 1009 N LYS A 67 -0.683 -6.816 -31.082 1.00 0.00 N ATOM 1010 CA LYS A 67 -1.651 -7.841 -30.709 1.00 0.00 C ATOM 1011 C LYS A 67 -1.367 -9.149 -31.440 1.00 0.00 C ATOM 1012 O LYS A 67 -1.340 -10.218 -30.832 1.00 0.00 O ATOM 1013 CB LYS A 67 -3.072 -7.367 -31.022 1.00 0.00 C ATOM 1014 CG LYS A 67 -4.138 -8.410 -30.733 1.00 0.00 C ATOM 1015 CD LYS A 67 -5.415 -8.132 -31.507 1.00 0.00 C ATOM 1016 CE LYS A 67 -6.245 -7.045 -30.841 1.00 0.00 C ATOM 1017 NZ LYS A 67 -6.941 -7.546 -29.624 1.00 0.00 N ATOM 0 H LYS A 67 -1.098 -5.935 -31.386 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.561 -8.018 -29.637 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.284 -6.471 -30.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.128 -7.083 -32.073 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.761 -9.399 -30.994 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.355 -8.424 -29.665 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.167 -7.830 -32.524 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.003 -9.047 -31.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.600 -6.209 -30.572 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.981 -6.665 -31.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.612 -6.826 -29.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.457 -8.419 -29.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.241 -7.743 -28.880 1.00 0.00 H new ATOM 1031 N ALA A 68 -1.153 -9.056 -32.749 1.00 0.00 N ATOM 1032 CA ALA A 68 -0.868 -10.232 -33.562 1.00 0.00 C ATOM 1033 C ALA A 68 0.415 -10.917 -33.104 1.00 0.00 C ATOM 1034 O ALA A 68 0.492 -12.144 -33.057 1.00 0.00 O ATOM 1035 CB ALA A 68 -0.767 -9.846 -35.030 1.00 0.00 C ATOM 0 H ALA A 68 -1.172 -8.178 -33.269 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.690 -10.937 -33.439 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.554 -10.734 -35.626 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.710 -9.408 -35.357 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.035 -9.120 -35.161 1.00 0.00 H new ATOM 1041 N GLY A 69 1.421 -10.116 -32.766 1.00 0.00 N ATOM 1042 CA GLY A 69 2.687 -10.664 -32.317 1.00 0.00 C ATOM 1043 C GLY A 69 2.550 -11.469 -31.039 1.00 0.00 C ATOM 1044 O GLY A 69 3.249 -12.465 -30.846 1.00 0.00 O ATOM 0 H GLY A 69 1.381 -9.097 -32.795 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.103 -11.299 -33.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.395 -9.851 -32.156 1.00 0.00 H new ATOM 1048 N LEU A 70 1.649 -11.037 -30.164 1.00 0.00 N ATOM 1049 CA LEU A 70 1.423 -11.724 -28.897 1.00 0.00 C ATOM 1050 C LEU A 70 0.805 -13.100 -29.125 1.00 0.00 C ATOM 1051 O LEU A 70 1.324 -14.110 -28.652 1.00 0.00 O ATOM 1052 CB LEU A 70 0.513 -10.887 -27.996 1.00 0.00 C ATOM 1053 CG LEU A 70 0.192 -11.484 -26.625 1.00 0.00 C ATOM 1054 CD1 LEU A 70 1.398 -11.384 -25.704 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -1.012 -10.788 -26.009 1.00 0.00 C ATOM 0 H LEU A 70 1.063 -10.215 -30.308 1.00 0.00 H new ATOM 0 HA LEU A 70 2.388 -11.856 -28.407 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.980 -9.914 -27.846 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.425 -10.713 -28.523 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.052 -12.538 -26.757 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.151 -11.814 -24.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.235 -11.930 -26.140 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.674 -10.337 -25.578 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.226 -11.226 -25.034 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.797 -9.726 -25.891 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.877 -10.913 -26.660 1.00 0.00 H new ATOM 1067 N ASN A 71 -0.305 -13.130 -29.856 1.00 0.00 N ATOM 1068 CA ASN A 71 -0.992 -14.383 -30.149 1.00 0.00 C ATOM 1069 C ASN A 71 0.008 -15.508 -30.395 1.00 0.00 C ATOM 1070 O ASN A 71 -0.057 -16.561 -29.760 1.00 0.00 O ATOM 1071 CB ASN A 71 -1.901 -14.216 -31.368 1.00 0.00 C ATOM 1072 CG ASN A 71 -3.045 -13.255 -31.111 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -3.525 -13.132 -29.984 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -3.486 -12.567 -32.157 1.00 0.00 N ATOM 0 H ASN A 71 -0.747 -12.302 -30.256 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.600 -14.646 -29.284 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.311 -13.856 -32.211 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.304 -15.188 -31.653 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.253 -11.904 -32.045 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.058 -12.701 -33.073 1.00 0.00 H new ATOM 1081 N TYR A 72 0.933 -15.277 -31.321 1.00 0.00 N ATOM 1082 CA TYR A 72 1.946 -16.272 -31.653 1.00 0.00 C ATOM 1083 C TYR A 72 2.878 -16.516 -30.470 1.00 0.00 C ATOM 1084 O TYR A 72 2.866 -17.590 -29.866 1.00 0.00 O ATOM 1085 CB TYR A 72 2.756 -15.819 -32.869 1.00 0.00 C ATOM 1086 CG TYR A 72 3.340 -16.963 -33.667 1.00 0.00 C ATOM 1087 CD1 TYR A 72 2.526 -17.791 -34.429 1.00 0.00 C ATOM 1088 CD2 TYR A 72 4.707 -17.213 -33.660 1.00 0.00 C ATOM 1089 CE1 TYR A 72 3.056 -18.838 -35.159 1.00 0.00 C ATOM 1090 CE2 TYR A 72 5.246 -18.257 -34.388 1.00 0.00 C ATOM 1091 CZ TYR A 72 4.416 -19.066 -35.135 1.00 0.00 C ATOM 1092 OH TYR A 72 4.948 -20.106 -35.862 1.00 0.00 O ATOM 0 H TYR A 72 1.002 -14.410 -31.854 1.00 0.00 H new ATOM 0 HA TYR A 72 1.437 -17.206 -31.891 1.00 0.00 H new ATOM 0 HB2 TYR A 72 2.116 -15.222 -33.519 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.565 -15.170 -32.535 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.461 -17.614 -34.451 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.359 -16.581 -33.076 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.409 -19.474 -35.745 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.311 -18.438 -34.372 1.00 0.00 H new ATOM 0 HH TYR A 72 5.920 -20.129 -35.738 1.00 0.00 H new ATOM 1102 N HIS A 73 3.685 -15.511 -30.143 1.00 0.00 N ATOM 1103 CA HIS A 73 4.623 -15.615 -29.031 1.00 0.00 C ATOM 1104 C HIS A 73 4.032 -16.446 -27.897 1.00 0.00 C ATOM 1105 O HIS A 73 4.630 -17.428 -27.454 1.00 0.00 O ATOM 1106 CB HIS A 73 4.996 -14.223 -28.519 1.00 0.00 C ATOM 1107 CG HIS A 73 5.263 -14.179 -27.046 1.00 0.00 C ATOM 1108 ND1 HIS A 73 4.425 -13.994 -26.000 1.00 0.00 N flip ATOM 1109 CD2 HIS A 73 6.522 -14.333 -26.505 1.00 0.00 C flip ATOM 1110 CE1 HIS A 73 5.185 -14.041 -24.857 1.00 0.00 C flip ATOM 1111 NE2 HIS A 73 6.447 -14.247 -25.189 1.00 0.00 N flip ATOM 0 H HIS A 73 3.708 -14.616 -30.632 1.00 0.00 H new ATOM 0 HA HIS A 73 5.522 -16.114 -29.392 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.881 -13.874 -29.051 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.189 -13.530 -28.755 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.428 -14.498 -27.069 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.811 -13.928 -23.850 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.230 -14.326 -24.540 1.00 0.00 H new ATOM 1119 N THR A 74 2.854 -16.046 -27.429 1.00 0.00 N ATOM 1120 CA THR A 74 2.182 -16.752 -26.345 1.00 0.00 C ATOM 1121 C THR A 74 2.298 -18.262 -26.517 1.00 0.00 C ATOM 1122 O THR A 74 2.592 -18.984 -25.565 1.00 0.00 O ATOM 1123 CB THR A 74 0.693 -16.368 -26.262 1.00 0.00 C ATOM 1124 OG1 THR A 74 0.561 -14.969 -25.990 1.00 0.00 O ATOM 1125 CG2 THR A 74 -0.013 -17.169 -25.178 1.00 0.00 C ATOM 0 H THR A 74 2.345 -15.236 -27.784 1.00 0.00 H new ATOM 0 HA THR A 74 2.677 -16.456 -25.420 1.00 0.00 H new ATOM 0 HB THR A 74 0.229 -16.596 -27.221 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.830 -14.455 -26.780 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.063 -16.880 -25.138 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.063 -18.233 -25.404 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.455 -16.968 -24.214 1.00 0.00 H new ATOM 1133 N MET A 75 2.065 -18.733 -27.738 1.00 0.00 N ATOM 1134 CA MET A 75 2.145 -20.158 -28.035 1.00 0.00 C ATOM 1135 C MET A 75 3.595 -20.595 -28.219 1.00 0.00 C ATOM 1136 O MET A 75 4.059 -21.529 -27.566 1.00 0.00 O ATOM 1137 CB MET A 75 1.338 -20.485 -29.294 1.00 0.00 C ATOM 1138 CG MET A 75 1.585 -21.887 -29.827 1.00 0.00 C ATOM 1139 SD MET A 75 0.143 -22.578 -30.659 1.00 0.00 S ATOM 1140 CE MET A 75 -0.063 -21.413 -32.004 1.00 0.00 C ATOM 0 H MET A 75 1.819 -18.149 -28.537 1.00 0.00 H new ATOM 0 HA MET A 75 1.724 -20.703 -27.190 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.276 -20.370 -29.075 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.583 -19.761 -30.071 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.424 -21.865 -30.522 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.871 -22.540 -29.002 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.862 -21.754 -32.662 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.318 -20.433 -31.601 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.866 -21.342 -32.569 1.00 0.00 H new ATOM 1150 N ALA A 76 4.305 -19.913 -29.112 1.00 0.00 N ATOM 1151 CA ALA A 76 5.702 -20.230 -29.380 1.00 0.00 C ATOM 1152 C ALA A 76 6.498 -20.338 -28.084 1.00 0.00 C ATOM 1153 O ALA A 76 7.044 -21.395 -27.767 1.00 0.00 O ATOM 1154 CB ALA A 76 6.316 -19.179 -30.293 1.00 0.00 C ATOM 0 H ALA A 76 3.935 -19.138 -29.662 1.00 0.00 H new ATOM 0 HA ALA A 76 5.740 -21.197 -29.881 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.360 -19.428 -30.485 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.770 -19.153 -31.236 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.259 -18.202 -29.813 1.00 0.00 H new ATOM 1160 N GLU A 77 6.561 -19.238 -27.340 1.00 0.00 N ATOM 1161 CA GLU A 77 7.293 -19.211 -26.079 1.00 0.00 C ATOM 1162 C GLU A 77 6.596 -20.069 -25.027 1.00 0.00 C ATOM 1163 O GLU A 77 7.223 -20.910 -24.381 1.00 0.00 O ATOM 1164 CB GLU A 77 7.428 -17.773 -25.573 1.00 0.00 C ATOM 1165 CG GLU A 77 8.669 -17.062 -26.085 1.00 0.00 C ATOM 1166 CD GLU A 77 9.909 -17.932 -26.020 1.00 0.00 C ATOM 1167 OE1 GLU A 77 10.207 -18.461 -24.929 1.00 0.00 O ATOM 1168 OE2 GLU A 77 10.582 -18.084 -27.061 1.00 0.00 O ATOM 0 H GLU A 77 6.115 -18.355 -27.588 1.00 0.00 H new ATOM 0 HA GLU A 77 8.287 -19.621 -26.256 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.546 -17.207 -25.872 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.447 -17.780 -24.483 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.504 -16.748 -27.116 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.833 -16.158 -25.499 1.00 0.00 H new ATOM 1175 N HIS A 78 5.296 -19.850 -24.860 1.00 0.00 N ATOM 1176 CA HIS A 78 4.513 -20.603 -23.886 1.00 0.00 C ATOM 1177 C HIS A 78 3.529 -21.535 -24.585 1.00 0.00 C ATOM 1178 O HIS A 78 2.349 -21.214 -24.728 1.00 0.00 O ATOM 1179 CB HIS A 78 3.759 -19.648 -22.959 1.00 0.00 C ATOM 1180 CG HIS A 78 4.502 -18.380 -22.672 1.00 0.00 C ATOM 1181 ND1 HIS A 78 5.832 -18.352 -22.310 1.00 0.00 N ATOM 1182 CD2 HIS A 78 4.094 -17.090 -22.699 1.00 0.00 C ATOM 1183 CE1 HIS A 78 6.210 -17.100 -22.123 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.174 -16.314 -22.353 1.00 0.00 N ATOM 0 H HIS A 78 4.762 -19.158 -25.386 1.00 0.00 H new ATOM 0 HA HIS A 78 5.199 -21.207 -23.293 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.797 -19.402 -23.409 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.550 -20.158 -22.018 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.431 -19.171 -22.203 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.104 -16.736 -22.946 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.198 -16.775 -21.832 1.00 0.00 H new