USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0898) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.54 USER MOD Set 2.2: A 31 ASN : amide:sc= -0.205 X(o=-0.75,f=-1.1) USER MOD Set 3.1: A 23 CYS SG : rot 161:sc= -0.646 USER MOD Set 3.2: A 26 CYS SG : rot -67:sc= -0.159 USER MOD Set 3.3: A 28 SER OG : rot 112:sc= 1.25 USER MOD Set 3.4: A 54 ASN : amide:sc= -2.27 K(o=-8.1,f=-15!) USER MOD Set 3.5: A 55 HIS : no HE2:sc= -5.03! C(o=-8.1!,f=-11!) USER MOD Set 3.6: A 58 CYS SG : rot -166:sc= -1.23 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -38:sc= 0.476 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc=-0.00598 (180deg=-0.234) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0177 USER MOD Single : A 21 SER OG : rot -127:sc= 0.699 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 160:sc= -0.3 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0277) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.00262 X(o=0.0026,f=-0.25) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.56) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.285 K(o=0.28,f=-0.58) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.136 F(o=-0.78,f=-0.14) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -102:sc=-0.00385 (180deg=-0.849) USER MOD Single : A 89 TYR OH : rot 5:sc= -0.83 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.474 11.750 3.702 1.00 0.00 N ATOM 84 CA LYS A 9 9.509 10.641 2.756 1.00 0.00 C ATOM 85 C LYS A 9 8.433 10.803 1.687 1.00 0.00 C ATOM 86 O LYS A 9 7.284 11.141 1.975 1.00 0.00 O ATOM 87 CB LYS A 9 9.318 9.312 3.489 1.00 0.00 C ATOM 88 CG LYS A 9 10.620 8.679 3.949 1.00 0.00 C ATOM 89 CD LYS A 9 10.437 7.904 5.244 1.00 0.00 C ATOM 90 CE LYS A 9 10.741 8.768 6.458 1.00 0.00 C ATOM 91 NZ LYS A 9 12.171 8.672 6.863 1.00 0.00 N ATOM 0 HA LYS A 9 10.484 10.643 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.676 9.473 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.797 8.616 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.994 8.010 3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.372 9.455 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.414 7.534 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.091 7.032 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.496 9.806 6.235 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.107 8.462 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.338 9.275 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.399 7.685 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.776 8.988 6.078 1.00 0.00 H new ATOM 105 N PRO A 10 8.810 10.556 0.424 1.00 0.00 N ATOM 106 CA PRO A 10 7.891 10.667 -0.713 1.00 0.00 C ATOM 107 C PRO A 10 6.832 9.569 -0.711 1.00 0.00 C ATOM 108 O PRO A 10 5.666 9.819 -1.014 1.00 0.00 O ATOM 109 CB PRO A 10 8.810 10.520 -1.928 1.00 0.00 C ATOM 110 CG PRO A 10 9.978 9.742 -1.428 1.00 0.00 C ATOM 111 CD PRO A 10 10.163 10.150 0.008 1.00 0.00 C ATOM 0 HA PRO A 10 7.332 11.602 -0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.308 10.000 -2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.117 11.493 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.797 8.670 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.871 9.959 -2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.540 9.326 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.876 10.969 0.104 1.00 0.00 H new ATOM 119 N TRP A 11 7.246 8.355 -0.367 1.00 0.00 N ATOM 120 CA TRP A 11 6.332 7.219 -0.326 1.00 0.00 C ATOM 121 C TRP A 11 6.093 6.766 1.110 1.00 0.00 C ATOM 122 O TRP A 11 6.965 6.903 1.968 1.00 0.00 O ATOM 123 CB TRP A 11 6.888 6.060 -1.154 1.00 0.00 C ATOM 124 CG TRP A 11 6.930 6.347 -2.624 1.00 0.00 C ATOM 125 CD1 TRP A 11 7.973 6.883 -3.325 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.884 6.115 -3.573 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.637 6.999 -4.653 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.361 6.533 -4.831 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.591 5.593 -3.483 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.589 6.446 -5.986 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.826 5.507 -4.631 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.327 5.931 -5.869 1.00 0.00 C ATOM 0 H TRP A 11 8.208 8.132 -0.112 1.00 0.00 H new ATOM 0 HA TRP A 11 5.379 7.535 -0.751 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.895 5.826 -0.808 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.277 5.174 -0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.922 7.173 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.240 7.372 -5.387 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.196 5.263 -2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.973 6.774 -6.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.825 5.106 -4.573 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.705 5.850 -6.748 1.00 0.00 H new ATOM 143 N ARG A 12 4.906 6.224 1.365 1.00 0.00 N ATOM 144 CA ARG A 12 4.553 5.751 2.698 1.00 0.00 C ATOM 145 C ARG A 12 4.035 4.317 2.647 1.00 0.00 C ATOM 146 O ARG A 12 3.455 3.891 1.648 1.00 0.00 O ATOM 147 CB ARG A 12 3.496 6.664 3.323 1.00 0.00 C ATOM 148 CG ARG A 12 2.084 6.382 2.838 1.00 0.00 C ATOM 149 CD ARG A 12 1.109 7.449 3.309 1.00 0.00 C ATOM 150 NE ARG A 12 1.043 7.525 4.766 1.00 0.00 N ATOM 151 CZ ARG A 12 1.817 8.319 5.497 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.712 9.102 4.909 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.698 8.332 6.818 1.00 0.00 N ATOM 0 H ARG A 12 4.173 6.102 0.666 1.00 0.00 H new ATOM 0 HA ARG A 12 5.452 5.773 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.528 6.553 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.747 7.701 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.075 6.335 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.761 5.407 3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.410 8.417 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.117 7.234 2.912 1.00 0.00 H new ATOM 0 HE ARG A 12 0.365 6.936 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.807 9.095 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.305 9.711 5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.011 7.731 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.293 8.942 7.378 1.00 0.00 H new ATOM 167 N ALA A 13 4.250 3.576 3.729 1.00 0.00 N ATOM 168 CA ALA A 13 3.804 2.191 3.808 1.00 0.00 C ATOM 169 C ALA A 13 3.101 1.915 5.133 1.00 0.00 C ATOM 170 O ALA A 13 3.638 2.205 6.202 1.00 0.00 O ATOM 171 CB ALA A 13 4.982 1.246 3.626 1.00 0.00 C ATOM 0 H ALA A 13 4.731 3.912 4.563 1.00 0.00 H new ATOM 0 HA ALA A 13 3.088 2.020 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.634 0.215 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.439 1.417 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.718 1.428 4.409 1.00 0.00 H new ATOM 177 N GLU A 14 1.899 1.353 5.055 1.00 0.00 N ATOM 178 CA GLU A 14 1.123 1.040 6.249 1.00 0.00 C ATOM 179 C GLU A 14 -0.158 0.295 5.886 1.00 0.00 C ATOM 180 O GLU A 14 -0.764 0.551 4.846 1.00 0.00 O ATOM 181 CB GLU A 14 0.782 2.321 7.013 1.00 0.00 C ATOM 182 CG GLU A 14 -0.038 3.312 6.204 1.00 0.00 C ATOM 183 CD GLU A 14 -0.081 4.688 6.839 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.985 5.181 7.262 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.183 5.273 6.912 1.00 0.00 O ATOM 0 H GLU A 14 1.442 1.105 4.178 1.00 0.00 H new ATOM 0 HA GLU A 14 1.729 0.396 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.232 2.059 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.707 2.802 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.381 3.392 5.201 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.055 2.934 6.096 1.00 0.00 H new ATOM 192 N TYR A 15 -0.563 -0.629 6.751 1.00 0.00 N ATOM 193 CA TYR A 15 -1.770 -1.414 6.521 1.00 0.00 C ATOM 194 C TYR A 15 -3.020 -0.566 6.733 1.00 0.00 C ATOM 195 O TYR A 15 -3.211 0.021 7.797 1.00 0.00 O ATOM 196 CB TYR A 15 -1.799 -2.628 7.451 1.00 0.00 C ATOM 197 CG TYR A 15 -0.723 -3.647 7.150 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.156 -3.466 6.090 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.587 -4.792 7.925 1.00 0.00 C ATOM 200 CE1 TYR A 15 1.140 -4.395 5.810 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.394 -5.726 7.654 1.00 0.00 C ATOM 202 CZ TYR A 15 1.255 -5.523 6.596 1.00 0.00 C ATOM 203 OH TYR A 15 2.233 -6.451 6.322 1.00 0.00 O ATOM 0 H TYR A 15 -0.073 -0.852 7.617 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.758 -1.758 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.689 -2.289 8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.774 -3.109 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.069 -2.583 5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.260 -4.955 8.754 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.815 -4.239 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.486 -6.610 8.267 1.00 0.00 H new ATOM 0 HH TYR A 15 2.334 -6.542 5.352 1.00 0.00 H new ATOM 213 N ALA A 16 -3.869 -0.509 5.712 1.00 0.00 N ATOM 214 CA ALA A 16 -5.102 0.264 5.787 1.00 0.00 C ATOM 215 C ALA A 16 -5.927 -0.135 7.006 1.00 0.00 C ATOM 216 O ALA A 16 -5.969 -1.305 7.385 1.00 0.00 O ATOM 217 CB ALA A 16 -5.916 0.082 4.514 1.00 0.00 C ATOM 0 H ALA A 16 -3.725 -0.989 4.824 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.837 1.316 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.835 0.665 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.334 0.423 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.164 -0.972 4.388 1.00 0.00 H new ATOM 223 N LYS A 17 -6.582 0.846 7.618 1.00 0.00 N ATOM 224 CA LYS A 17 -7.406 0.599 8.794 1.00 0.00 C ATOM 225 C LYS A 17 -8.886 0.566 8.425 1.00 0.00 C ATOM 226 O LYS A 17 -9.724 0.139 9.218 1.00 0.00 O ATOM 227 CB LYS A 17 -7.158 1.677 9.852 1.00 0.00 C ATOM 228 CG LYS A 17 -5.747 1.664 10.414 1.00 0.00 C ATOM 229 CD LYS A 17 -5.512 2.830 11.359 1.00 0.00 C ATOM 230 CE LYS A 17 -6.214 2.618 12.692 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.583 1.525 13.483 1.00 0.00 N ATOM 0 H LYS A 17 -6.558 1.821 7.318 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.129 -0.373 9.202 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.357 2.656 9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.867 1.542 10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.573 0.726 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.028 1.707 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.442 2.954 11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.872 3.750 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.189 3.544 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.263 2.380 12.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.912 1.575 14.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.847 0.605 13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.549 1.631 13.458 1.00 0.00 H new ATOM 245 N SER A 18 -9.199 1.019 7.215 1.00 0.00 N ATOM 246 CA SER A 18 -10.578 1.043 6.741 1.00 0.00 C ATOM 247 C SER A 18 -10.639 0.811 5.235 1.00 0.00 C ATOM 248 O SER A 18 -9.609 0.679 4.574 1.00 0.00 O ATOM 249 CB SER A 18 -11.236 2.379 7.090 1.00 0.00 C ATOM 250 OG SER A 18 -11.116 2.661 8.474 1.00 0.00 O ATOM 0 H SER A 18 -8.517 1.374 6.545 1.00 0.00 H new ATOM 0 HA SER A 18 -11.121 0.238 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.773 3.178 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.289 2.353 6.811 1.00 0.00 H new ATOM 0 HG SER A 18 -11.543 3.521 8.671 1.00 0.00 H new ATOM 256 N SER A 19 -11.855 0.763 4.699 1.00 0.00 N ATOM 257 CA SER A 19 -12.052 0.544 3.270 1.00 0.00 C ATOM 258 C SER A 19 -12.622 1.791 2.603 1.00 0.00 C ATOM 259 O SER A 19 -13.421 1.700 1.671 1.00 0.00 O ATOM 260 CB SER A 19 -12.988 -0.644 3.040 1.00 0.00 C ATOM 261 OG SER A 19 -12.573 -1.773 3.790 1.00 0.00 O ATOM 0 H SER A 19 -12.718 0.873 5.232 1.00 0.00 H new ATOM 0 HA SER A 19 -11.082 0.326 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.005 -0.370 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.008 -0.895 1.980 1.00 0.00 H new ATOM 0 HG SER A 19 -13.188 -2.518 3.627 1.00 0.00 H new ATOM 267 N ARG A 20 -12.205 2.957 3.086 1.00 0.00 N ATOM 268 CA ARG A 20 -12.674 4.224 2.538 1.00 0.00 C ATOM 269 C ARG A 20 -11.775 4.688 1.396 1.00 0.00 C ATOM 270 O ARG A 20 -12.257 5.152 0.362 1.00 0.00 O ATOM 271 CB ARG A 20 -12.719 5.292 3.632 1.00 0.00 C ATOM 272 CG ARG A 20 -13.944 5.196 4.527 1.00 0.00 C ATOM 273 CD ARG A 20 -14.256 6.529 5.189 1.00 0.00 C ATOM 274 NE ARG A 20 -13.444 6.751 6.382 1.00 0.00 N ATOM 275 CZ ARG A 20 -13.650 6.127 7.537 1.00 0.00 C ATOM 276 NH1 ARG A 20 -14.635 5.248 7.653 1.00 0.00 N ATOM 277 NH2 ARG A 20 -12.868 6.382 8.579 1.00 0.00 N ATOM 0 H ARG A 20 -11.543 3.050 3.856 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.680 4.072 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.823 5.208 4.247 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.696 6.278 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.802 4.871 3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.778 4.438 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.083 7.336 4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.312 6.562 5.458 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.677 7.421 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.237 5.049 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.791 4.771 8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.108 7.057 8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.027 5.903 9.465 1.00 0.00 H new ATOM 291 N SER A 21 -10.466 4.560 1.590 1.00 0.00 N ATOM 292 CA SER A 21 -9.499 4.971 0.579 1.00 0.00 C ATOM 293 C SER A 21 -9.597 4.082 -0.658 1.00 0.00 C ATOM 294 O SER A 21 -9.776 2.869 -0.551 1.00 0.00 O ATOM 295 CB SER A 21 -8.080 4.919 1.148 1.00 0.00 C ATOM 296 OG SER A 21 -7.888 5.920 2.132 1.00 0.00 O ATOM 0 H SER A 21 -10.051 4.175 2.438 1.00 0.00 H new ATOM 0 HA SER A 21 -9.728 5.996 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.895 3.937 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.357 5.052 0.343 1.00 0.00 H new ATOM 0 HG SER A 21 -7.088 6.443 1.915 1.00 0.00 H new ATOM 302 N SER A 22 -9.477 4.696 -1.831 1.00 0.00 N ATOM 303 CA SER A 22 -9.556 3.963 -3.089 1.00 0.00 C ATOM 304 C SER A 22 -8.335 4.245 -3.959 1.00 0.00 C ATOM 305 O SER A 22 -7.926 5.395 -4.122 1.00 0.00 O ATOM 306 CB SER A 22 -10.832 4.338 -3.844 1.00 0.00 C ATOM 307 OG SER A 22 -11.963 4.285 -2.991 1.00 0.00 O ATOM 0 H SER A 22 -9.325 5.699 -1.936 1.00 0.00 H new ATOM 0 HA SER A 22 -9.579 2.898 -2.859 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.732 5.341 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.974 3.659 -4.684 1.00 0.00 H new ATOM 0 HG SER A 22 -12.766 4.530 -3.497 1.00 0.00 H new ATOM 313 N CYS A 23 -7.756 3.187 -4.516 1.00 0.00 N ATOM 314 CA CYS A 23 -6.581 3.318 -5.370 1.00 0.00 C ATOM 315 C CYS A 23 -6.851 4.282 -6.521 1.00 0.00 C ATOM 316 O CYS A 23 -8.001 4.527 -6.885 1.00 0.00 O ATOM 317 CB CYS A 23 -6.170 1.951 -5.920 1.00 0.00 C ATOM 318 SG CYS A 23 -4.602 1.965 -6.848 1.00 0.00 S ATOM 0 H CYS A 23 -8.081 2.228 -4.391 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.766 3.719 -4.767 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.083 1.249 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.962 1.580 -6.571 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.131 0.756 -6.922 1.00 0.00 H new ATOM 323 N LYS A 24 -5.782 4.827 -7.092 1.00 0.00 N ATOM 324 CA LYS A 24 -5.900 5.764 -8.203 1.00 0.00 C ATOM 325 C LYS A 24 -5.453 5.117 -9.510 1.00 0.00 C ATOM 326 O LYS A 24 -5.943 5.461 -10.586 1.00 0.00 O ATOM 327 CB LYS A 24 -5.067 7.018 -7.931 1.00 0.00 C ATOM 328 CG LYS A 24 -5.461 7.745 -6.657 1.00 0.00 C ATOM 329 CD LYS A 24 -6.533 8.790 -6.920 1.00 0.00 C ATOM 330 CE LYS A 24 -5.926 10.110 -7.368 1.00 0.00 C ATOM 331 NZ LYS A 24 -6.855 10.878 -8.243 1.00 0.00 N ATOM 0 H LYS A 24 -4.823 4.635 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.949 6.046 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.015 6.739 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.167 7.701 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.825 7.025 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.583 8.224 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.218 8.425 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.120 8.947 -6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.672 10.709 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.996 9.919 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.405 11.771 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.077 10.317 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.732 11.082 -7.723 1.00 0.00 H new ATOM 345 N THR A 25 -4.519 4.175 -9.410 1.00 0.00 N ATOM 346 CA THR A 25 -4.006 3.480 -10.583 1.00 0.00 C ATOM 347 C THR A 25 -5.078 2.597 -11.212 1.00 0.00 C ATOM 348 O THR A 25 -5.231 2.562 -12.434 1.00 0.00 O ATOM 349 CB THR A 25 -2.783 2.611 -10.232 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.617 3.433 -10.114 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.554 1.545 -11.292 1.00 0.00 C ATOM 0 H THR A 25 -4.103 3.877 -8.528 1.00 0.00 H new ATOM 0 HA THR A 25 -3.705 4.247 -11.297 1.00 0.00 H new ATOM 0 HB THR A 25 -2.977 2.117 -9.280 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.935 2.960 -9.594 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.685 0.944 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.433 0.903 -11.358 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.380 2.022 -12.256 1.00 0.00 H new ATOM 359 N CYS A 26 -5.820 1.885 -10.371 1.00 0.00 N ATOM 360 CA CYS A 26 -6.879 1.002 -10.843 1.00 0.00 C ATOM 361 C CYS A 26 -8.254 1.604 -10.568 1.00 0.00 C ATOM 362 O CYS A 26 -9.253 1.195 -11.158 1.00 0.00 O ATOM 363 CB CYS A 26 -6.767 -0.369 -10.172 1.00 0.00 C ATOM 364 SG CYS A 26 -7.058 -0.342 -8.374 1.00 0.00 S ATOM 0 H CYS A 26 -5.707 1.903 -9.357 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.763 0.882 -11.920 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.483 -1.048 -10.635 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.774 -0.775 -10.363 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.095 0.306 -7.788 1.00 0.00 H new ATOM 369 N LYS A 27 -8.296 2.579 -9.666 1.00 0.00 N ATOM 370 CA LYS A 27 -9.546 3.241 -9.312 1.00 0.00 C ATOM 371 C LYS A 27 -10.451 2.304 -8.517 1.00 0.00 C ATOM 372 O LYS A 27 -11.669 2.309 -8.690 1.00 0.00 O ATOM 373 CB LYS A 27 -10.269 3.718 -10.573 1.00 0.00 C ATOM 374 CG LYS A 27 -9.367 4.447 -11.553 1.00 0.00 C ATOM 375 CD LYS A 27 -8.945 5.805 -11.018 1.00 0.00 C ATOM 376 CE LYS A 27 -10.076 6.818 -11.112 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.274 7.301 -12.506 1.00 0.00 N ATOM 0 H LYS A 27 -7.478 2.928 -9.167 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.308 4.103 -8.689 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.715 2.858 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.087 4.378 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.482 3.843 -11.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.887 4.575 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.630 5.706 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.084 6.167 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.999 6.366 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.859 7.665 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.970 8.074 -12.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.370 7.648 -12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.621 6.520 -13.098 1.00 0.00 H new ATOM 391 N SER A 28 -9.846 1.503 -7.646 1.00 0.00 N ATOM 392 CA SER A 28 -10.598 0.560 -6.826 1.00 0.00 C ATOM 393 C SER A 28 -10.484 0.914 -5.347 1.00 0.00 C ATOM 394 O SER A 28 -9.750 1.828 -4.970 1.00 0.00 O ATOM 395 CB SER A 28 -10.095 -0.866 -7.061 1.00 0.00 C ATOM 396 OG SER A 28 -9.844 -1.098 -8.436 1.00 0.00 O ATOM 0 H SER A 28 -8.838 1.488 -7.490 1.00 0.00 H new ATOM 0 HA SER A 28 -11.647 0.621 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.182 -1.032 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.834 -1.580 -6.697 1.00 0.00 H new ATOM 0 HG SER A 28 -8.880 -1.205 -8.579 1.00 0.00 H new ATOM 402 N VAL A 29 -11.216 0.184 -4.512 1.00 0.00 N ATOM 403 CA VAL A 29 -11.198 0.419 -3.073 1.00 0.00 C ATOM 404 C VAL A 29 -10.107 -0.402 -2.396 1.00 0.00 C ATOM 405 O VAL A 29 -9.860 -1.550 -2.767 1.00 0.00 O ATOM 406 CB VAL A 29 -12.556 0.078 -2.431 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.364 -0.403 -1.001 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.484 1.282 -2.477 1.00 0.00 C ATOM 0 H VAL A 29 -11.829 -0.576 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.993 1.480 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.016 -0.728 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.334 -0.639 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.738 -1.295 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.883 0.380 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.439 1.023 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.033 2.110 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.647 1.577 -3.514 1.00 0.00 H new ATOM 418 N ILE A 30 -9.457 0.193 -1.401 1.00 0.00 N ATOM 419 CA ILE A 30 -8.393 -0.485 -0.671 1.00 0.00 C ATOM 420 C ILE A 30 -8.860 -0.902 0.720 1.00 0.00 C ATOM 421 O ILE A 30 -8.716 -0.153 1.684 1.00 0.00 O ATOM 422 CB ILE A 30 -7.146 0.409 -0.535 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.644 0.836 -1.916 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.052 -0.321 0.230 1.00 0.00 C ATOM 425 CD1 ILE A 30 -5.900 2.153 -1.908 1.00 0.00 C ATOM 0 H ILE A 30 -9.649 1.143 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.132 -1.374 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.418 1.304 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.988 0.060 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.493 0.912 -2.595 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.177 0.324 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.414 -0.579 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.780 -1.231 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.574 2.393 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.559 2.941 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.031 2.076 -1.255 1.00 0.00 H new ATOM 437 N ASN A 31 -9.419 -2.104 0.814 1.00 0.00 N ATOM 438 CA ASN A 31 -9.906 -2.622 2.087 1.00 0.00 C ATOM 439 C ASN A 31 -8.787 -2.660 3.124 1.00 0.00 C ATOM 440 O ASN A 31 -7.623 -2.880 2.789 1.00 0.00 O ATOM 441 CB ASN A 31 -10.490 -4.024 1.901 1.00 0.00 C ATOM 442 CG ASN A 31 -11.394 -4.117 0.687 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.950 -4.468 -0.406 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.671 -3.801 0.874 1.00 0.00 N ATOM 0 H ASN A 31 -9.546 -2.737 0.024 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.688 -1.953 2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.677 -4.743 1.801 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.053 -4.301 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.327 -3.844 0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.996 -3.515 1.798 1.00 0.00 H new ATOM 451 N LYS A 32 -9.147 -2.443 4.384 1.00 0.00 N ATOM 452 CA LYS A 32 -8.176 -2.453 5.471 1.00 0.00 C ATOM 453 C LYS A 32 -7.490 -3.812 5.575 1.00 0.00 C ATOM 454 O LYS A 32 -7.954 -4.796 5.001 1.00 0.00 O ATOM 455 CB LYS A 32 -8.859 -2.113 6.797 1.00 0.00 C ATOM 456 CG LYS A 32 -9.563 -3.295 7.440 1.00 0.00 C ATOM 457 CD LYS A 32 -10.847 -2.870 8.133 1.00 0.00 C ATOM 458 CE LYS A 32 -10.595 -2.480 9.582 1.00 0.00 C ATOM 459 NZ LYS A 32 -10.633 -3.660 10.489 1.00 0.00 N ATOM 0 H LYS A 32 -10.106 -2.258 4.678 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.420 -1.698 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.114 -1.724 7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.584 -1.317 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.789 -4.042 6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.897 -3.767 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.288 -2.028 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.570 -3.685 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.624 -1.991 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.345 -1.755 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.457 -3.352 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.568 -4.112 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.901 -4.341 10.203 1.00 0.00 H new ATOM 473 N GLU A 33 -6.384 -3.857 6.311 1.00 0.00 N ATOM 474 CA GLU A 33 -5.636 -5.096 6.490 1.00 0.00 C ATOM 475 C GLU A 33 -4.897 -5.475 5.210 1.00 0.00 C ATOM 476 O GLU A 33 -4.622 -6.648 4.964 1.00 0.00 O ATOM 477 CB GLU A 33 -6.576 -6.230 6.904 1.00 0.00 C ATOM 478 CG GLU A 33 -7.650 -5.801 7.889 1.00 0.00 C ATOM 479 CD GLU A 33 -8.038 -6.910 8.848 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.820 -8.092 8.509 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.560 -6.595 9.938 1.00 0.00 O ATOM 0 H GLU A 33 -5.986 -3.051 6.793 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.902 -4.936 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.054 -6.638 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.989 -7.034 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.294 -4.942 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.533 -5.476 7.339 1.00 0.00 H new ATOM 488 N ASN A 34 -4.580 -4.471 4.398 1.00 0.00 N ATOM 489 CA ASN A 34 -3.874 -4.698 3.142 1.00 0.00 C ATOM 490 C ASN A 34 -2.685 -3.752 3.007 1.00 0.00 C ATOM 491 O ASN A 34 -2.730 -2.611 3.468 1.00 0.00 O ATOM 492 CB ASN A 34 -4.825 -4.512 1.957 1.00 0.00 C ATOM 493 CG ASN A 34 -5.542 -5.795 1.584 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.919 -6.846 1.435 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.858 -5.714 1.431 1.00 0.00 N ATOM 0 H ASN A 34 -4.801 -3.493 4.587 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.502 -5.723 3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.561 -3.746 2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.262 -4.150 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.394 -6.544 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.333 -4.821 1.565 1.00 0.00 H new ATOM 502 N PHE A 35 -1.621 -4.234 2.373 1.00 0.00 N ATOM 503 CA PHE A 35 -0.419 -3.433 2.178 1.00 0.00 C ATOM 504 C PHE A 35 -0.578 -2.495 0.984 1.00 0.00 C ATOM 505 O PHE A 35 -0.671 -2.941 -0.160 1.00 0.00 O ATOM 506 CB PHE A 35 0.797 -4.339 1.971 1.00 0.00 C ATOM 507 CG PHE A 35 1.963 -3.641 1.331 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.144 -2.277 1.492 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.877 -4.350 0.569 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.216 -1.632 0.904 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.951 -3.710 -0.021 1.00 0.00 C ATOM 512 CZ PHE A 35 4.120 -2.350 0.146 1.00 0.00 C ATOM 0 H PHE A 35 -1.567 -5.176 1.985 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.266 -2.831 3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.109 -4.741 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.507 -5.187 1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.440 -1.711 2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.749 -5.414 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.346 -0.568 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.657 -4.274 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.958 -1.848 -0.315 1.00 0.00 H new ATOM 522 N ARG A 36 -0.608 -1.196 1.260 1.00 0.00 N ATOM 523 CA ARG A 36 -0.757 -0.195 0.210 1.00 0.00 C ATOM 524 C ARG A 36 0.400 0.799 0.238 1.00 0.00 C ATOM 525 O ARG A 36 1.254 0.749 1.123 1.00 0.00 O ATOM 526 CB ARG A 36 -2.086 0.547 0.368 1.00 0.00 C ATOM 527 CG ARG A 36 -2.318 1.086 1.770 1.00 0.00 C ATOM 528 CD ARG A 36 -3.541 1.989 1.823 1.00 0.00 C ATOM 529 NE ARG A 36 -3.651 2.686 3.102 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.752 3.310 3.507 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.831 3.323 2.737 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.775 3.921 4.684 1.00 0.00 N ATOM 0 H ARG A 36 -0.531 -0.811 2.202 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.748 -0.709 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.117 1.375 -0.340 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.902 -0.127 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.447 0.255 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.439 1.642 2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.488 2.719 1.015 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.439 1.394 1.656 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.838 2.694 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.817 2.853 1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.675 3.803 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.947 3.912 5.279 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.621 4.400 4.994 1.00 0.00 H new ATOM 546 N LEU A 37 0.421 1.701 -0.737 1.00 0.00 N ATOM 547 CA LEU A 37 1.473 2.708 -0.825 1.00 0.00 C ATOM 548 C LEU A 37 0.881 4.097 -1.038 1.00 0.00 C ATOM 549 O LEU A 37 -0.046 4.274 -1.827 1.00 0.00 O ATOM 550 CB LEU A 37 2.435 2.370 -1.966 1.00 0.00 C ATOM 551 CG LEU A 37 3.379 1.193 -1.722 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.149 0.855 -2.989 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.337 1.505 -0.581 1.00 0.00 C ATOM 0 H LEU A 37 -0.278 1.756 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 37 2.022 2.708 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.847 2.159 -2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.036 3.253 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 37 2.782 0.325 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.816 0.015 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.448 0.588 -3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.735 1.720 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.002 0.656 -0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.928 2.386 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.769 1.697 0.329 1.00 0.00 H new ATOM 565 N GLY A 38 1.426 5.082 -0.330 1.00 0.00 N ATOM 566 CA GLY A 38 0.940 6.444 -0.457 1.00 0.00 C ATOM 567 C GLY A 38 2.015 7.400 -0.933 1.00 0.00 C ATOM 568 O GLY A 38 2.943 7.724 -0.192 1.00 0.00 O ATOM 0 H GLY A 38 2.195 4.961 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.104 6.465 -1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.558 6.782 0.506 1.00 0.00 H new ATOM 572 N LYS A 39 1.892 7.854 -2.176 1.00 0.00 N ATOM 573 CA LYS A 39 2.860 8.780 -2.752 1.00 0.00 C ATOM 574 C LYS A 39 2.574 10.212 -2.311 1.00 0.00 C ATOM 575 O LYS A 39 1.774 10.915 -2.929 1.00 0.00 O ATOM 576 CB LYS A 39 2.834 8.691 -4.280 1.00 0.00 C ATOM 577 CG LYS A 39 4.014 9.376 -4.949 1.00 0.00 C ATOM 578 CD LYS A 39 3.961 9.226 -6.460 1.00 0.00 C ATOM 579 CE LYS A 39 5.280 9.625 -7.106 1.00 0.00 C ATOM 580 NZ LYS A 39 5.083 10.172 -8.477 1.00 0.00 N ATOM 0 H LYS A 39 1.131 7.595 -2.804 1.00 0.00 H new ATOM 0 HA LYS A 39 3.851 8.500 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.819 7.642 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.910 9.138 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.018 10.434 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.944 8.951 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.727 8.193 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.157 9.844 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.777 10.371 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.939 8.758 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.005 10.432 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.631 9.452 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.475 11.015 -8.431 1.00 0.00 H new ATOM 594 N LEU A 40 3.234 10.638 -1.239 1.00 0.00 N ATOM 595 CA LEU A 40 3.051 11.988 -0.716 1.00 0.00 C ATOM 596 C LEU A 40 3.552 13.030 -1.711 1.00 0.00 C ATOM 597 O LEU A 40 4.732 13.054 -2.061 1.00 0.00 O ATOM 598 CB LEU A 40 3.788 12.143 0.616 1.00 0.00 C ATOM 599 CG LEU A 40 3.538 11.046 1.652 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.485 11.203 2.833 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.091 11.074 2.120 1.00 0.00 C ATOM 0 H LEU A 40 3.900 10.069 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 40 1.985 12.148 -0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.858 12.187 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.507 13.100 1.055 1.00 0.00 H new ATOM 0 HG LEU A 40 3.729 10.080 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.293 10.414 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.516 11.133 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.325 12.175 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.932 10.287 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.873 12.042 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.430 10.913 1.268 1.00 0.00 H new ATOM 613 N VAL A 41 2.646 13.892 -2.162 1.00 0.00 N ATOM 614 CA VAL A 41 2.996 14.940 -3.114 1.00 0.00 C ATOM 615 C VAL A 41 2.868 16.321 -2.483 1.00 0.00 C ATOM 616 O VAL A 41 1.944 16.579 -1.713 1.00 0.00 O ATOM 617 CB VAL A 41 2.106 14.877 -4.370 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.530 13.725 -5.268 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.641 14.747 -3.978 1.00 0.00 C ATOM 0 H VAL A 41 1.665 13.885 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 41 4.033 14.771 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 41 2.229 15.805 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.890 13.696 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.566 13.866 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.438 12.786 -4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.026 14.704 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.499 13.835 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.347 15.608 -3.378 1.00 0.00 H new ATOM 777 N MET A 52 -1.372 10.017 -2.143 1.00 0.00 N ATOM 778 CA MET A 52 -1.947 9.209 -3.212 1.00 0.00 C ATOM 779 C MET A 52 -1.983 7.735 -2.819 1.00 0.00 C ATOM 780 O MET A 52 -0.993 7.020 -2.968 1.00 0.00 O ATOM 781 CB MET A 52 -1.145 9.386 -4.502 1.00 0.00 C ATOM 782 CG MET A 52 -1.075 10.827 -4.982 1.00 0.00 C ATOM 783 SD MET A 52 -2.425 11.252 -6.100 1.00 0.00 S ATOM 784 CE MET A 52 -1.626 12.466 -7.147 1.00 0.00 C ATOM 0 HA MET A 52 -2.969 9.547 -3.380 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.132 9.015 -4.344 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.591 8.772 -5.285 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.098 11.495 -4.121 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.124 10.992 -5.488 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.335 12.826 -7.893 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.284 13.303 -6.538 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.772 12.009 -7.648 1.00 0.00 H new ATOM 794 N TRP A 53 -3.129 7.289 -2.318 1.00 0.00 N ATOM 795 CA TRP A 53 -3.293 5.900 -1.904 1.00 0.00 C ATOM 796 C TRP A 53 -3.392 4.979 -3.116 1.00 0.00 C ATOM 797 O TRP A 53 -4.271 5.143 -3.961 1.00 0.00 O ATOM 798 CB TRP A 53 -4.540 5.750 -1.031 1.00 0.00 C ATOM 799 CG TRP A 53 -4.383 6.345 0.335 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.181 7.292 0.913 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.366 6.036 1.293 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.720 7.589 2.173 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.608 6.831 2.430 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.275 5.162 1.302 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.798 6.778 3.562 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.472 5.111 2.426 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.737 5.914 3.543 1.00 0.00 C ATOM 0 H TRP A 53 -3.958 7.869 -2.189 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.416 5.614 -1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.384 6.224 -1.531 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.781 4.692 -0.933 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.046 7.741 0.448 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.138 8.264 2.813 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.063 4.538 0.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.000 7.397 4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.626 4.440 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.091 5.850 4.406 1.00 0.00 H new ATOM 818 N ASN A 54 -2.484 4.011 -3.193 1.00 0.00 N ATOM 819 CA ASN A 54 -2.470 3.064 -4.302 1.00 0.00 C ATOM 820 C ASN A 54 -1.984 1.694 -3.841 1.00 0.00 C ATOM 821 O ASN A 54 -1.051 1.622 -3.043 1.00 0.00 O ATOM 822 CB ASN A 54 -1.575 3.582 -5.430 1.00 0.00 C ATOM 823 CG ASN A 54 -1.910 5.007 -5.826 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.998 5.283 -6.333 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.974 5.920 -5.596 1.00 0.00 N ATOM 0 H ASN A 54 -1.749 3.862 -2.501 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.490 2.962 -4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.533 3.531 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.678 2.932 -6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.142 6.896 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.087 5.646 -5.174 1.00 0.00 H new ATOM 832 N HIS A 55 -2.620 0.647 -4.347 1.00 0.00 N ATOM 833 CA HIS A 55 -2.243 -0.707 -3.980 1.00 0.00 C ATOM 834 C HIS A 55 -0.744 -0.903 -4.211 1.00 0.00 C ATOM 835 O HIS A 55 -0.175 -0.469 -5.212 1.00 0.00 O ATOM 836 CB HIS A 55 -3.097 -1.731 -4.731 1.00 0.00 C ATOM 837 CG HIS A 55 -4.575 -1.633 -4.436 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.490 -1.138 -5.349 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.286 -1.971 -3.323 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.694 -1.180 -4.798 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.566 -1.697 -3.543 1.00 0.00 N ATOM 0 H HIS A 55 -3.394 0.710 -5.008 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.436 -0.867 -2.919 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.942 -1.603 -5.802 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.752 -2.733 -4.477 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.274 -0.799 -6.286 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.877 -2.391 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.616 -0.861 -5.262 1.00 0.00 H new ATOM 849 N ALA A 56 -0.111 -1.572 -3.253 1.00 0.00 N ATOM 850 CA ALA A 56 1.320 -1.842 -3.327 1.00 0.00 C ATOM 851 C ALA A 56 1.676 -2.565 -4.621 1.00 0.00 C ATOM 852 O ALA A 56 2.820 -2.523 -5.073 1.00 0.00 O ATOM 853 CB ALA A 56 1.765 -2.660 -2.123 1.00 0.00 C ATOM 0 H ALA A 56 -0.566 -1.937 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 56 1.846 -0.887 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.835 -2.855 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.554 -2.106 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.225 -3.606 -2.106 1.00 0.00 H new ATOM 859 N SER A 57 0.688 -3.230 -5.213 1.00 0.00 N ATOM 860 CA SER A 57 0.899 -3.967 -6.454 1.00 0.00 C ATOM 861 C SER A 57 0.630 -3.079 -7.665 1.00 0.00 C ATOM 862 O SER A 57 1.159 -3.314 -8.752 1.00 0.00 O ATOM 863 CB SER A 57 -0.006 -5.199 -6.500 1.00 0.00 C ATOM 864 OG SER A 57 0.282 -6.001 -7.631 1.00 0.00 O ATOM 0 H SER A 57 -0.266 -3.273 -4.853 1.00 0.00 H new ATOM 0 HA SER A 57 1.940 -4.288 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.127 -5.786 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.050 -4.886 -6.528 1.00 0.00 H new ATOM 0 HG SER A 57 -0.309 -6.783 -7.637 1.00 0.00 H new ATOM 870 N CYS A 58 -0.195 -2.056 -7.469 1.00 0.00 N ATOM 871 CA CYS A 58 -0.536 -1.132 -8.544 1.00 0.00 C ATOM 872 C CYS A 58 0.606 -0.154 -8.803 1.00 0.00 C ATOM 873 O CYS A 58 0.751 0.369 -9.909 1.00 0.00 O ATOM 874 CB CYS A 58 -1.812 -0.362 -8.197 1.00 0.00 C ATOM 875 SG CYS A 58 -3.339 -1.343 -8.355 1.00 0.00 S ATOM 0 H CYS A 58 -0.640 -1.846 -6.575 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.705 -1.714 -9.450 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.734 0.007 -7.174 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.885 0.511 -8.846 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.369 -0.551 -8.324 1.00 0.00 H new ATOM 880 N ILE A 59 1.415 0.088 -7.777 1.00 0.00 N ATOM 881 CA ILE A 59 2.545 1.001 -7.894 1.00 0.00 C ATOM 882 C ILE A 59 3.809 0.260 -8.315 1.00 0.00 C ATOM 883 O ILE A 59 4.464 0.630 -9.290 1.00 0.00 O ATOM 884 CB ILE A 59 2.812 1.739 -6.569 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.557 2.486 -6.113 1.00 0.00 C ATOM 886 CG2 ILE A 59 3.981 2.701 -6.725 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.247 3.710 -6.946 1.00 0.00 C ATOM 0 H ILE A 59 1.309 -0.336 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 59 2.283 1.731 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 59 3.071 1.004 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.706 1.806 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.680 2.786 -5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.158 3.215 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.875 2.145 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.749 3.433 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.345 4.190 -6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.081 4.409 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.091 3.414 -7.983 1.00 0.00 H new ATOM 899 N LEU A 60 4.147 -0.790 -7.574 1.00 0.00 N ATOM 900 CA LEU A 60 5.333 -1.586 -7.870 1.00 0.00 C ATOM 901 C LEU A 60 5.307 -2.086 -9.311 1.00 0.00 C ATOM 902 O LEU A 60 6.349 -2.218 -9.954 1.00 0.00 O ATOM 903 CB LEU A 60 5.430 -2.771 -6.909 1.00 0.00 C ATOM 904 CG LEU A 60 5.636 -2.424 -5.434 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.481 -3.664 -4.567 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.003 -1.790 -5.221 1.00 0.00 C ATOM 0 H LEU A 60 3.616 -1.110 -6.764 1.00 0.00 H new ATOM 0 HA LEU A 60 6.209 -0.950 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.518 -3.361 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.255 -3.407 -7.230 1.00 0.00 H new ATOM 0 HG LEU A 60 4.873 -1.703 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.631 -3.398 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.480 -4.076 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.221 -4.409 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.132 -1.550 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.780 -2.488 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.077 -0.878 -5.813 1.00 0.00 H new ATOM 918 N LYS A 61 4.108 -2.362 -9.814 1.00 0.00 N ATOM 919 CA LYS A 61 3.944 -2.844 -11.181 1.00 0.00 C ATOM 920 C LYS A 61 4.358 -1.776 -12.188 1.00 0.00 C ATOM 921 O LYS A 61 4.787 -2.089 -13.299 1.00 0.00 O ATOM 922 CB LYS A 61 2.491 -3.256 -11.426 1.00 0.00 C ATOM 923 CG LYS A 61 1.502 -2.113 -11.284 1.00 0.00 C ATOM 924 CD LYS A 61 1.274 -1.404 -12.609 1.00 0.00 C ATOM 925 CE LYS A 61 -0.008 -0.586 -12.590 1.00 0.00 C ATOM 926 NZ LYS A 61 -0.456 -0.225 -13.963 1.00 0.00 N ATOM 0 H LYS A 61 3.236 -2.260 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 61 4.589 -3.712 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.406 -3.677 -12.428 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.223 -4.046 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.554 -2.496 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.872 -1.400 -10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.120 -0.751 -12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.226 -2.139 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.793 -1.153 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.150 0.323 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.333 0.332 -13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.282 0.337 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.631 -1.092 -14.510 1.00 0.00 H new ATOM 940 N LYS A 62 4.228 -0.515 -11.793 1.00 0.00 N ATOM 941 CA LYS A 62 4.591 0.600 -12.660 1.00 0.00 C ATOM 942 C LYS A 62 6.104 0.790 -12.697 1.00 0.00 C ATOM 943 O LYS A 62 6.855 -0.002 -12.126 1.00 0.00 O ATOM 944 CB LYS A 62 3.917 1.887 -12.179 1.00 0.00 C ATOM 945 CG LYS A 62 2.459 1.999 -12.589 1.00 0.00 C ATOM 946 CD LYS A 62 1.958 3.430 -12.485 1.00 0.00 C ATOM 947 CE LYS A 62 0.458 3.480 -12.241 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.314 3.413 -13.512 1.00 0.00 N ATOM 0 H LYS A 62 3.874 -0.239 -10.877 1.00 0.00 H new ATOM 0 HA LYS A 62 4.246 0.371 -13.668 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.985 1.939 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.464 2.743 -12.574 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.340 1.645 -13.613 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.851 1.353 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.477 3.940 -11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.196 3.967 -13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.167 2.651 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.207 4.399 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.321 3.586 -13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.039 4.136 -14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.201 2.471 -13.938 1.00 0.00 H new ATOM 962 N THR A 63 6.547 1.847 -13.371 1.00 0.00 N ATOM 963 CA THR A 63 7.971 2.141 -13.482 1.00 0.00 C ATOM 964 C THR A 63 8.281 3.550 -12.989 1.00 0.00 C ATOM 965 O THR A 63 7.419 4.428 -13.004 1.00 0.00 O ATOM 966 CB THR A 63 8.462 1.998 -14.935 1.00 0.00 C ATOM 967 OG1 THR A 63 7.718 0.975 -15.606 1.00 0.00 O ATOM 968 CG2 THR A 63 9.945 1.662 -14.974 1.00 0.00 C ATOM 0 H THR A 63 5.940 2.514 -13.848 1.00 0.00 H new ATOM 0 HA THR A 63 8.493 1.417 -12.857 1.00 0.00 H new ATOM 0 HB THR A 63 8.308 2.950 -15.443 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.035 0.892 -16.529 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.269 1.566 -16.010 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.511 2.457 -14.489 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.119 0.722 -14.451 1.00 0.00 H new ATOM 976 N LYS A 64 9.518 3.759 -12.553 1.00 0.00 N ATOM 977 CA LYS A 64 9.945 5.062 -12.056 1.00 0.00 C ATOM 978 C LYS A 64 8.991 5.574 -10.981 1.00 0.00 C ATOM 979 O LYS A 64 8.515 6.707 -11.050 1.00 0.00 O ATOM 980 CB LYS A 64 10.021 6.069 -13.206 1.00 0.00 C ATOM 981 CG LYS A 64 11.065 5.720 -14.253 1.00 0.00 C ATOM 982 CD LYS A 64 11.539 6.954 -15.002 1.00 0.00 C ATOM 983 CE LYS A 64 12.086 6.597 -16.375 1.00 0.00 C ATOM 984 NZ LYS A 64 12.304 7.805 -17.217 1.00 0.00 N ATOM 0 H LYS A 64 10.244 3.042 -12.534 1.00 0.00 H new ATOM 0 HA LYS A 64 10.935 4.948 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.045 6.134 -13.686 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.242 7.056 -12.799 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.915 5.236 -13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.647 5.003 -14.959 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.712 7.655 -15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.311 7.459 -14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.027 6.059 -16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.392 5.924 -16.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.677 7.519 -18.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.402 8.305 -17.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.986 8.436 -16.749 1.00 0.00 H new ATOM 998 N GLN A 65 8.717 4.731 -9.990 1.00 0.00 N ATOM 999 CA GLN A 65 7.821 5.100 -8.901 1.00 0.00 C ATOM 1000 C GLN A 65 8.603 5.374 -7.621 1.00 0.00 C ATOM 1001 O GLN A 65 8.432 6.416 -6.988 1.00 0.00 O ATOM 1002 CB GLN A 65 6.796 3.991 -8.659 1.00 0.00 C ATOM 1003 CG GLN A 65 5.994 3.623 -9.897 1.00 0.00 C ATOM 1004 CD GLN A 65 5.042 4.723 -10.324 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.397 5.360 -9.490 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.949 4.953 -11.628 1.00 0.00 N ATOM 0 H GLN A 65 9.102 3.789 -9.919 1.00 0.00 H new ATOM 0 HA GLN A 65 7.298 6.013 -9.187 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.313 3.103 -8.294 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.110 4.307 -7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.678 3.402 -10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.427 2.713 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.502 4.401 -12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.325 5.682 -11.974 1.00 0.00 H new ATOM 1015 N ILE A 66 9.461 4.431 -7.245 1.00 0.00 N ATOM 1016 CA ILE A 66 10.270 4.572 -6.040 1.00 0.00 C ATOM 1017 C ILE A 66 11.757 4.457 -6.360 1.00 0.00 C ATOM 1018 O ILE A 66 12.160 3.671 -7.218 1.00 0.00 O ATOM 1019 CB ILE A 66 9.900 3.511 -4.987 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.403 3.569 -4.678 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.716 3.717 -3.719 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.926 2.442 -3.788 1.00 0.00 C ATOM 0 H ILE A 66 9.614 3.562 -7.757 1.00 0.00 H new ATOM 0 HA ILE A 66 10.063 5.562 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 66 10.131 2.525 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.176 4.521 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.846 3.543 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.444 2.960 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.777 3.632 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.512 4.707 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.856 2.547 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.122 1.486 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.457 2.480 -2.837 1.00 0.00 H new ATOM 1034 N LYS A 67 12.569 5.244 -5.663 1.00 0.00 N ATOM 1035 CA LYS A 67 14.012 5.230 -5.869 1.00 0.00 C ATOM 1036 C LYS A 67 14.675 4.164 -5.003 1.00 0.00 C ATOM 1037 O LYS A 67 15.496 3.382 -5.483 1.00 0.00 O ATOM 1038 CB LYS A 67 14.607 6.604 -5.551 1.00 0.00 C ATOM 1039 CG LYS A 67 16.103 6.691 -5.799 1.00 0.00 C ATOM 1040 CD LYS A 67 16.653 8.056 -5.420 1.00 0.00 C ATOM 1041 CE LYS A 67 17.857 8.428 -6.272 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.537 9.653 -5.766 1.00 0.00 N ATOM 0 H LYS A 67 12.252 5.900 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 67 14.202 4.992 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.103 7.358 -6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.406 6.845 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.614 5.919 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.310 6.493 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.874 8.809 -5.540 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.937 8.056 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.564 7.599 -6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.538 8.589 -7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.352 9.874 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.870 10.451 -5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.865 9.491 -4.792 1.00 0.00 H new ATOM 1056 N SER A 68 14.313 4.138 -3.724 1.00 0.00 N ATOM 1057 CA SER A 68 14.875 3.169 -2.790 1.00 0.00 C ATOM 1058 C SER A 68 13.949 2.968 -1.594 1.00 0.00 C ATOM 1059 O SER A 68 13.144 3.839 -1.264 1.00 0.00 O ATOM 1060 CB SER A 68 16.253 3.630 -2.311 1.00 0.00 C ATOM 1061 OG SER A 68 17.045 2.529 -1.902 1.00 0.00 O ATOM 0 H SER A 68 13.633 4.777 -3.311 1.00 0.00 H new ATOM 0 HA SER A 68 14.979 2.217 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.759 4.168 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.139 4.328 -1.481 1.00 0.00 H new ATOM 0 HG SER A 68 17.921 2.850 -1.602 1.00 0.00 H new ATOM 1067 N VAL A 69 14.070 1.813 -0.948 1.00 0.00 N ATOM 1068 CA VAL A 69 13.246 1.496 0.213 1.00 0.00 C ATOM 1069 C VAL A 69 13.388 2.560 1.295 1.00 0.00 C ATOM 1070 O VAL A 69 12.528 2.694 2.165 1.00 0.00 O ATOM 1071 CB VAL A 69 13.616 0.123 0.806 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.162 -0.997 -0.117 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.113 0.041 1.062 1.00 0.00 C ATOM 0 H VAL A 69 14.731 1.081 -1.209 1.00 0.00 H new ATOM 0 HA VAL A 69 12.212 1.468 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 69 13.100 0.006 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.432 -1.959 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.081 -0.947 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.648 -0.889 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.358 -0.935 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.651 0.178 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.405 0.821 1.765 1.00 0.00 H new ATOM 1083 N ASP A 70 14.480 3.315 1.234 1.00 0.00 N ATOM 1084 CA ASP A 70 14.735 4.370 2.208 1.00 0.00 C ATOM 1085 C ASP A 70 13.737 5.513 2.046 1.00 0.00 C ATOM 1086 O ASP A 70 13.444 6.235 3.000 1.00 0.00 O ATOM 1087 CB ASP A 70 16.162 4.898 2.058 1.00 0.00 C ATOM 1088 CG ASP A 70 16.584 5.767 3.226 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.631 5.251 4.362 1.00 0.00 O ATOM 1090 OD2 ASP A 70 16.867 6.963 3.005 1.00 0.00 O ATOM 0 H ASP A 70 15.202 3.216 0.521 1.00 0.00 H new ATOM 0 HA ASP A 70 14.616 3.946 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.850 4.057 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.238 5.473 1.135 1.00 0.00 H new ATOM 1095 N ASP A 71 13.218 5.671 0.833 1.00 0.00 N ATOM 1096 CA ASP A 71 12.253 6.725 0.546 1.00 0.00 C ATOM 1097 C ASP A 71 10.851 6.312 0.983 1.00 0.00 C ATOM 1098 O ASP A 71 9.948 7.144 1.074 1.00 0.00 O ATOM 1099 CB ASP A 71 12.258 7.058 -0.947 1.00 0.00 C ATOM 1100 CG ASP A 71 13.261 8.140 -1.295 1.00 0.00 C ATOM 1101 OD1 ASP A 71 13.151 9.252 -0.738 1.00 0.00 O ATOM 1102 OD2 ASP A 71 14.157 7.875 -2.125 1.00 0.00 O ATOM 0 H ASP A 71 13.450 5.082 0.033 1.00 0.00 H new ATOM 0 HA ASP A 71 12.543 7.612 1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.487 6.157 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.261 7.380 -1.248 1.00 0.00 H new ATOM 1107 N VAL A 72 10.676 5.022 1.251 1.00 0.00 N ATOM 1108 CA VAL A 72 9.384 4.498 1.678 1.00 0.00 C ATOM 1109 C VAL A 72 9.250 4.536 3.196 1.00 0.00 C ATOM 1110 O VAL A 72 10.104 4.020 3.916 1.00 0.00 O ATOM 1111 CB VAL A 72 9.176 3.052 1.190 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.774 2.570 1.531 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.434 2.952 -0.306 1.00 0.00 C ATOM 0 H VAL A 72 11.413 4.320 1.180 1.00 0.00 H new ATOM 0 HA VAL A 72 8.621 5.136 1.233 1.00 0.00 H new ATOM 0 HB VAL A 72 9.891 2.408 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.645 1.547 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.631 2.603 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.040 3.215 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.282 1.923 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.745 3.608 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.460 3.253 -0.519 1.00 0.00 H new ATOM 1123 N GLU A 73 8.172 5.149 3.675 1.00 0.00 N ATOM 1124 CA GLU A 73 7.928 5.253 5.108 1.00 0.00 C ATOM 1125 C GLU A 73 7.112 4.065 5.609 1.00 0.00 C ATOM 1126 O GLU A 73 6.543 3.312 4.820 1.00 0.00 O ATOM 1127 CB GLU A 73 7.197 6.559 5.430 1.00 0.00 C ATOM 1128 CG GLU A 73 7.423 7.049 6.850 1.00 0.00 C ATOM 1129 CD GLU A 73 7.068 8.513 7.026 1.00 0.00 C ATOM 1130 OE1 GLU A 73 7.563 9.342 6.234 1.00 0.00 O ATOM 1131 OE2 GLU A 73 6.295 8.829 7.954 1.00 0.00 O ATOM 0 H GLU A 73 7.455 5.580 3.092 1.00 0.00 H new ATOM 0 HA GLU A 73 8.893 5.249 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.524 7.330 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.128 6.416 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.826 6.449 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.468 6.897 7.121 1.00 0.00 H new ATOM 1138 N GLY A 74 7.061 3.903 6.928 1.00 0.00 N ATOM 1139 CA GLY A 74 6.314 2.804 7.512 1.00 0.00 C ATOM 1140 C GLY A 74 6.590 1.483 6.822 1.00 0.00 C ATOM 1141 O GLY A 74 5.806 0.541 6.935 1.00 0.00 O ATOM 0 H GLY A 74 7.523 4.513 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.567 2.718 8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.248 3.024 7.456 1.00 0.00 H new ATOM 1145 N ILE A 75 7.706 1.415 6.104 1.00 0.00 N ATOM 1146 CA ILE A 75 8.083 0.200 5.393 1.00 0.00 C ATOM 1147 C ILE A 75 8.521 -0.892 6.363 1.00 0.00 C ATOM 1148 O ILE A 75 8.408 -2.081 6.067 1.00 0.00 O ATOM 1149 CB ILE A 75 9.220 0.465 4.388 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.358 -0.711 3.419 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.529 0.709 5.123 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.292 -0.434 2.262 1.00 0.00 C ATOM 0 H ILE A 75 8.365 2.187 5.999 1.00 0.00 H new ATOM 0 HA ILE A 75 7.199 -0.134 4.849 1.00 0.00 H new ATOM 0 HB ILE A 75 8.976 1.358 3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.719 -1.582 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.373 -0.966 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.323 0.895 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.423 1.575 5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.780 -0.168 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.341 -1.311 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.921 0.417 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.288 -0.208 2.644 1.00 0.00 H new ATOM 1164 N GLU A 76 9.020 -0.479 7.524 1.00 0.00 N ATOM 1165 CA GLU A 76 9.474 -1.423 8.538 1.00 0.00 C ATOM 1166 C GLU A 76 8.289 -2.071 9.249 1.00 0.00 C ATOM 1167 O GLU A 76 8.457 -2.999 10.039 1.00 0.00 O ATOM 1168 CB GLU A 76 10.371 -0.717 9.558 1.00 0.00 C ATOM 1169 CG GLU A 76 9.658 0.368 10.348 1.00 0.00 C ATOM 1170 CD GLU A 76 10.252 0.571 11.728 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.278 -0.401 12.511 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.691 1.702 12.025 1.00 0.00 O ATOM 0 H GLU A 76 9.120 0.502 7.785 1.00 0.00 H new ATOM 0 HA GLU A 76 10.047 -2.205 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.770 -1.457 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.221 -0.276 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.706 1.306 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.604 0.108 10.445 1.00 0.00 H new ATOM 1179 N SER A 77 7.091 -1.573 8.962 1.00 0.00 N ATOM 1180 CA SER A 77 5.877 -2.099 9.575 1.00 0.00 C ATOM 1181 C SER A 77 5.227 -3.149 8.680 1.00 0.00 C ATOM 1182 O SER A 77 4.374 -3.919 9.124 1.00 0.00 O ATOM 1183 CB SER A 77 4.888 -0.965 9.854 1.00 0.00 C ATOM 1184 OG SER A 77 3.853 -1.393 10.722 1.00 0.00 O ATOM 0 H SER A 77 6.935 -0.806 8.309 1.00 0.00 H new ATOM 0 HA SER A 77 6.151 -2.572 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.414 -0.121 10.299 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.458 -0.614 8.916 1.00 0.00 H new ATOM 0 HG SER A 77 3.235 -0.650 10.886 1.00 0.00 H new ATOM 1190 N LEU A 78 5.634 -3.173 7.416 1.00 0.00 N ATOM 1191 CA LEU A 78 5.092 -4.128 6.455 1.00 0.00 C ATOM 1192 C LEU A 78 5.705 -5.510 6.656 1.00 0.00 C ATOM 1193 O LEU A 78 6.864 -5.634 7.053 1.00 0.00 O ATOM 1194 CB LEU A 78 5.349 -3.646 5.026 1.00 0.00 C ATOM 1195 CG LEU A 78 5.140 -2.152 4.774 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.508 -1.796 3.342 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.700 -1.758 5.071 1.00 0.00 C ATOM 0 H LEU A 78 6.338 -2.542 7.032 1.00 0.00 H new ATOM 0 HA LEU A 78 4.017 -4.200 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.374 -3.899 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.696 -4.202 4.353 1.00 0.00 H new ATOM 0 HG LEU A 78 5.794 -1.594 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.353 -0.729 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.555 -2.042 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.880 -2.362 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.569 -0.692 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.028 -2.323 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.471 -1.976 6.114 1.00 0.00 H new ATOM 1209 N ARG A 79 4.921 -6.546 6.376 1.00 0.00 N ATOM 1210 CA ARG A 79 5.388 -7.919 6.525 1.00 0.00 C ATOM 1211 C ARG A 79 6.643 -8.160 5.691 1.00 0.00 C ATOM 1212 O ARG A 79 6.803 -7.589 4.612 1.00 0.00 O ATOM 1213 CB ARG A 79 4.291 -8.901 6.109 1.00 0.00 C ATOM 1214 CG ARG A 79 3.258 -9.156 7.195 1.00 0.00 C ATOM 1215 CD ARG A 79 2.087 -9.972 6.669 1.00 0.00 C ATOM 1216 NE ARG A 79 1.260 -9.206 5.741 1.00 0.00 N ATOM 1217 CZ ARG A 79 -0.006 -9.504 5.467 1.00 0.00 C ATOM 1218 NH1 ARG A 79 -0.585 -10.545 6.048 1.00 0.00 N ATOM 1219 NH2 ARG A 79 -0.694 -8.759 4.611 1.00 0.00 N ATOM 0 H ARG A 79 3.960 -6.461 6.045 1.00 0.00 H new ATOM 0 HA ARG A 79 5.633 -8.081 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.787 -8.515 5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.751 -9.848 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.725 -9.683 8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.895 -8.205 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.463 -10.864 6.168 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.475 -10.310 7.506 1.00 0.00 H new ATOM 0 HE ARG A 79 1.676 -8.398 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.059 -11.119 6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.557 -10.772 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.251 -7.957 4.163 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.665 -8.989 4.401 1.00 0.00 H new ATOM 1233 N TRP A 80 7.530 -9.008 6.199 1.00 0.00 N ATOM 1234 CA TRP A 80 8.772 -9.324 5.502 1.00 0.00 C ATOM 1235 C TRP A 80 8.547 -9.398 3.996 1.00 0.00 C ATOM 1236 O TRP A 80 9.214 -8.708 3.226 1.00 0.00 O ATOM 1237 CB TRP A 80 9.344 -10.648 6.010 1.00 0.00 C ATOM 1238 CG TRP A 80 10.259 -11.316 5.029 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.488 -10.878 4.626 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.015 -12.539 4.326 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.024 -11.756 3.714 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.141 -12.784 3.514 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.958 -13.453 4.304 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.235 -13.903 2.691 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.053 -14.562 3.486 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.185 -14.780 2.689 1.00 0.00 C ATOM 0 H TRP A 80 7.413 -9.489 7.091 1.00 0.00 H new ATOM 0 HA TRP A 80 9.486 -8.526 5.705 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.887 -10.469 6.938 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.522 -11.323 6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.968 -9.975 4.973 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.932 -11.658 3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.082 -13.295 4.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.106 -14.073 2.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.241 -15.273 3.460 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.229 -15.657 2.061 1.00 0.00 H new ATOM 1257 N GLU A 81 7.602 -10.237 3.583 1.00 0.00 N ATOM 1258 CA GLU A 81 7.291 -10.400 2.168 1.00 0.00 C ATOM 1259 C GLU A 81 7.042 -9.048 1.507 1.00 0.00 C ATOM 1260 O GLU A 81 7.527 -8.785 0.406 1.00 0.00 O ATOM 1261 CB GLU A 81 6.065 -11.299 1.993 1.00 0.00 C ATOM 1262 CG GLU A 81 4.746 -10.578 2.211 1.00 0.00 C ATOM 1263 CD GLU A 81 3.554 -11.515 2.166 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.754 -12.736 2.336 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.423 -11.028 1.959 1.00 0.00 O ATOM 0 H GLU A 81 7.039 -10.814 4.208 1.00 0.00 H new ATOM 0 HA GLU A 81 8.148 -10.869 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.076 -11.723 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.134 -12.133 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.769 -10.071 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.627 -9.808 1.449 1.00 0.00 H new ATOM 1272 N ASP A 82 6.284 -8.194 2.186 1.00 0.00 N ATOM 1273 CA ASP A 82 5.970 -6.869 1.665 1.00 0.00 C ATOM 1274 C ASP A 82 7.237 -6.032 1.510 1.00 0.00 C ATOM 1275 O ASP A 82 7.493 -5.469 0.446 1.00 0.00 O ATOM 1276 CB ASP A 82 4.983 -6.155 2.590 1.00 0.00 C ATOM 1277 CG ASP A 82 3.589 -6.748 2.517 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.357 -7.614 1.647 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.731 -6.347 3.330 1.00 0.00 O ATOM 0 H ASP A 82 5.876 -8.396 3.099 1.00 0.00 H new ATOM 0 HA ASP A 82 5.513 -6.990 0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.345 -6.211 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.940 -5.099 2.325 1.00 0.00 H new ATOM 1284 N GLN A 83 8.024 -5.956 2.579 1.00 0.00 N ATOM 1285 CA GLN A 83 9.262 -5.186 2.561 1.00 0.00 C ATOM 1286 C GLN A 83 10.156 -5.620 1.404 1.00 0.00 C ATOM 1287 O GLN A 83 10.953 -4.832 0.895 1.00 0.00 O ATOM 1288 CB GLN A 83 10.008 -5.350 3.886 1.00 0.00 C ATOM 1289 CG GLN A 83 9.194 -4.929 5.099 1.00 0.00 C ATOM 1290 CD GLN A 83 10.062 -4.568 6.288 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.066 -3.869 6.149 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.679 -5.044 7.467 1.00 0.00 N ATOM 0 H GLN A 83 7.826 -6.418 3.467 1.00 0.00 H new ATOM 0 HA GLN A 83 9.005 -4.136 2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.303 -6.393 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.925 -4.762 3.852 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.572 -4.074 4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.520 -5.739 5.379 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.840 -5.620 7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.224 -4.834 8.303 1.00 0.00 H new ATOM 1301 N GLN A 84 10.017 -6.877 0.994 1.00 0.00 N ATOM 1302 CA GLN A 84 10.813 -7.414 -0.102 1.00 0.00 C ATOM 1303 C GLN A 84 10.336 -6.864 -1.443 1.00 0.00 C ATOM 1304 O GLN A 84 11.140 -6.580 -2.331 1.00 0.00 O ATOM 1305 CB GLN A 84 10.743 -8.942 -0.111 1.00 0.00 C ATOM 1306 CG GLN A 84 11.266 -9.583 1.165 1.00 0.00 C ATOM 1307 CD GLN A 84 12.750 -9.883 1.101 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.151 -10.685 0.121 1.00 0.00 O flip ATOM 1309 NE2 GLN A 84 13.529 -9.399 1.923 1.00 0.00 N flip ATOM 0 H GLN A 84 9.361 -7.541 1.404 1.00 0.00 H new ATOM 0 HA GLN A 84 11.847 -7.105 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.708 -9.249 -0.264 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.316 -9.319 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.069 -8.920 2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.720 -10.508 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.178 -8.787 2.660 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.525 -9.610 1.867 1.00 0.00 H new ATOM 1318 N LYS A 85 9.023 -6.717 -1.582 1.00 0.00 N ATOM 1319 CA LYS A 85 8.437 -6.200 -2.813 1.00 0.00 C ATOM 1320 C LYS A 85 8.981 -4.811 -3.133 1.00 0.00 C ATOM 1321 O LYS A 85 8.958 -4.376 -4.285 1.00 0.00 O ATOM 1322 CB LYS A 85 6.912 -6.147 -2.693 1.00 0.00 C ATOM 1323 CG LYS A 85 6.265 -7.514 -2.560 1.00 0.00 C ATOM 1324 CD LYS A 85 4.757 -7.405 -2.411 1.00 0.00 C ATOM 1325 CE LYS A 85 4.184 -8.593 -1.654 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.698 -8.643 -1.742 1.00 0.00 N ATOM 0 H LYS A 85 8.344 -6.949 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 85 8.708 -6.873 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.645 -5.542 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.504 -5.645 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.502 -8.117 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.680 -8.032 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.508 -6.483 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.296 -7.344 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.603 -9.516 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.484 -8.536 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.346 -9.467 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.297 -7.774 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.412 -8.723 -2.739 1.00 0.00 H new ATOM 1340 N ILE A 86 9.471 -4.122 -2.109 1.00 0.00 N ATOM 1341 CA ILE A 86 10.024 -2.785 -2.283 1.00 0.00 C ATOM 1342 C ILE A 86 11.485 -2.845 -2.713 1.00 0.00 C ATOM 1343 O ILE A 86 11.834 -2.439 -3.822 1.00 0.00 O ATOM 1344 CB ILE A 86 9.915 -1.958 -0.988 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.572 -2.218 -0.302 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.084 -0.476 -1.289 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.388 -1.666 -1.064 1.00 0.00 C ATOM 0 H ILE A 86 9.496 -4.467 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 86 9.438 -2.301 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 86 10.713 -2.264 -0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.441 -3.292 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.591 -1.776 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.004 0.095 -0.364 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.063 -0.305 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.306 -0.154 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.470 -1.887 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.496 -0.587 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.344 -2.126 -2.051 1.00 0.00 H new ATOM 1359 N ARG A 87 12.336 -3.356 -1.830 1.00 0.00 N ATOM 1360 CA ARG A 87 13.761 -3.470 -2.118 1.00 0.00 C ATOM 1361 C ARG A 87 13.992 -4.223 -3.425 1.00 0.00 C ATOM 1362 O ARG A 87 14.846 -3.848 -4.228 1.00 0.00 O ATOM 1363 CB ARG A 87 14.479 -4.185 -0.972 1.00 0.00 C ATOM 1364 CG ARG A 87 13.789 -5.462 -0.522 1.00 0.00 C ATOM 1365 CD ARG A 87 13.970 -5.698 0.969 1.00 0.00 C ATOM 1366 NE ARG A 87 15.137 -6.529 1.254 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.702 -6.616 2.453 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.211 -5.927 3.473 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.761 -7.395 2.633 1.00 0.00 N ATOM 0 H ARG A 87 12.064 -3.698 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 87 14.167 -2.464 -2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.496 -4.422 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.556 -3.506 -0.123 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.726 -5.404 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.192 -6.309 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.075 -4.740 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.077 -6.177 1.371 1.00 0.00 H new ATOM 0 HE ARG A 87 15.540 -7.072 0.491 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.397 -5.328 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.647 -5.996 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.141 -7.927 1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.195 -7.462 3.554 1.00 0.00 H new ATOM 1383 N LYS A 88 13.224 -5.288 -3.632 1.00 0.00 N ATOM 1384 CA LYS A 88 13.344 -6.094 -4.841 1.00 0.00 C ATOM 1385 C LYS A 88 12.742 -5.368 -6.041 1.00 0.00 C ATOM 1386 O LYS A 88 12.699 -5.907 -7.147 1.00 0.00 O ATOM 1387 CB LYS A 88 12.650 -7.445 -4.649 1.00 0.00 C ATOM 1388 CG LYS A 88 13.132 -8.207 -3.427 1.00 0.00 C ATOM 1389 CD LYS A 88 14.286 -9.135 -3.768 1.00 0.00 C ATOM 1390 CE LYS A 88 15.127 -9.452 -2.541 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.973 -8.296 -2.134 1.00 0.00 N ATOM 0 H LYS A 88 12.512 -5.613 -2.978 1.00 0.00 H new ATOM 0 HA LYS A 88 14.404 -6.260 -5.033 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.575 -7.284 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.813 -8.057 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.446 -7.502 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.308 -8.787 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.897 -10.060 -4.193 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.913 -8.673 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.473 -9.732 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.763 -10.312 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.951 -8.453 -2.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.604 -7.426 -2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.955 -8.200 -1.099 1.00 0.00 H new ATOM 1405 N TYR A 89 12.282 -4.143 -5.815 1.00 0.00 N ATOM 1406 CA TYR A 89 11.682 -3.344 -6.877 1.00 0.00 C ATOM 1407 C TYR A 89 12.515 -2.097 -7.157 1.00 0.00 C ATOM 1408 O TYR A 89 12.620 -1.650 -8.299 1.00 0.00 O ATOM 1409 CB TYR A 89 10.255 -2.943 -6.499 1.00 0.00 C ATOM 1410 CG TYR A 89 9.723 -1.775 -7.297 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.143 -1.968 -8.545 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.801 -0.478 -6.804 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.655 -0.903 -9.278 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.315 0.592 -7.530 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.743 0.375 -8.767 1.00 0.00 C ATOM 1416 OH TYR A 89 8.259 1.438 -9.493 1.00 0.00 O ATOM 0 H TYR A 89 12.313 -3.681 -4.906 1.00 0.00 H new ATOM 0 HA TYR A 89 11.654 -3.951 -7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.596 -3.800 -6.641 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.226 -2.691 -5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.072 -2.967 -8.949 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.249 -0.304 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.207 -1.071 -10.246 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.382 1.594 -7.131 1.00 0.00 H new ATOM 0 HH TYR A 89 7.820 1.107 -10.304 1.00 0.00 H new ATOM 1426 N VAL A 90 13.107 -1.540 -6.105 1.00 0.00 N ATOM 1427 CA VAL A 90 13.933 -0.346 -6.236 1.00 0.00 C ATOM 1428 C VAL A 90 15.343 -0.700 -6.697 1.00 0.00 C ATOM 1429 O VAL A 90 15.974 0.057 -7.434 1.00 0.00 O ATOM 1430 CB VAL A 90 14.019 0.426 -4.906 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.672 1.041 -4.557 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.502 -0.489 -3.790 1.00 0.00 C ATOM 0 H VAL A 90 13.030 -1.897 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 90 13.457 0.287 -6.985 1.00 0.00 H new ATOM 0 HB VAL A 90 14.741 1.234 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.752 1.582 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.371 1.730 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.926 0.252 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.557 0.072 -2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.806 -1.319 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.490 -0.876 -4.039 1.00 0.00 H new ATOM 1442 N GLU A 91 15.830 -1.857 -6.258 1.00 0.00 N ATOM 1443 CA GLU A 91 17.166 -2.311 -6.627 1.00 0.00 C ATOM 1444 C GLU A 91 17.200 -2.780 -8.078 1.00 0.00 C ATOM 1445 O GLU A 91 18.079 -2.391 -8.847 1.00 0.00 O ATOM 1446 CB GLU A 91 17.616 -3.445 -5.702 1.00 0.00 C ATOM 1447 CG GLU A 91 17.749 -3.027 -4.248 1.00 0.00 C ATOM 1448 CD GLU A 91 19.095 -2.398 -3.942 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.447 -1.400 -4.605 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.796 -2.904 -3.041 1.00 0.00 O ATOM 0 H GLU A 91 15.320 -2.496 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 91 17.851 -1.470 -6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.901 -4.265 -5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.575 -3.828 -6.050 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.957 -2.319 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.606 -3.898 -3.609 1.00 0.00 H new