USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -87:sc= 0.768 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.517 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.76! C(o=-1.8!,f=-15!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -146:sc= -2.35! (180deg=-2.99!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0306 K(o=-0.031,f=-1.3!) USER MOD Single : A 60 MET CE :methyl 161:sc= -0.0134 (180deg=-0.717) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 135:sc= -0.879 (180deg=-3.06!) USER MOD Single : A 66 SER OG : rot -81:sc= 0.467 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 130:sc= -0.0464 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.0529 (180deg=-0.342) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.0688 USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= 0.202 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.53 X(o=-0.53,f=-0.065) USER MOD Single : A 94 HIS : no HD1:sc= -2! K(o=-2!,f=-0.68) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.265 -10.224 -1.191 1.00 0.00 N ATOM 106 CA LEU A 11 26.023 -11.179 -1.992 1.00 0.00 C ATOM 107 C LEU A 11 25.370 -12.557 -1.958 1.00 0.00 C ATOM 108 O LEU A 11 25.064 -13.136 -3.000 1.00 0.00 O ATOM 109 CB LEU A 11 27.463 -11.271 -1.484 1.00 0.00 C ATOM 110 CG LEU A 11 28.328 -12.363 -2.115 1.00 0.00 C ATOM 111 CD1 LEU A 11 27.839 -13.740 -1.696 1.00 0.00 C ATOM 112 CD2 LEU A 11 28.329 -12.233 -3.631 1.00 0.00 C ATOM 0 HA LEU A 11 26.030 -10.826 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 11 27.948 -10.309 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.437 -11.433 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 11 29.351 -12.240 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.467 -14.504 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 11 27.892 -13.830 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 11 26.807 -13.874 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.950 -13.018 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 11 27.310 -12.329 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.729 -11.259 -3.912 1.00 0.00 H new ATOM 124 N TRP A 12 25.158 -13.076 -0.753 1.00 0.00 N ATOM 125 CA TRP A 12 24.540 -14.385 -0.583 1.00 0.00 C ATOM 126 C TRP A 12 23.184 -14.441 -1.278 1.00 0.00 C ATOM 127 O TRP A 12 22.804 -15.471 -1.834 1.00 0.00 O ATOM 128 CB TRP A 12 24.378 -14.707 0.903 1.00 0.00 C ATOM 129 CG TRP A 12 23.251 -13.963 1.553 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.333 -12.784 2.237 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.873 -14.350 1.580 1.00 0.00 C ATOM 132 NE1 TRP A 12 22.089 -12.415 2.689 1.00 0.00 N ATOM 133 CE2 TRP A 12 21.176 -13.358 2.298 1.00 0.00 C ATOM 134 CE3 TRP A 12 21.159 -15.437 1.067 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.802 -13.423 2.515 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.796 -15.500 1.283 1.00 0.00 C ATOM 137 CH2 TRP A 12 19.128 -14.498 2.001 1.00 0.00 C ATOM 0 H TRP A 12 25.405 -12.610 0.120 1.00 0.00 H new ATOM 0 HA TRP A 12 25.193 -15.129 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 12 24.212 -15.778 1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 12 25.307 -14.471 1.422 1.00 0.00 H new ATOM 0 HD1 TRP A 12 24.242 -12.224 2.399 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.879 -11.575 3.228 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.664 -16.214 0.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.286 -12.653 3.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 19.235 -16.336 0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 12 18.061 -14.576 2.151 1.00 0.00 H new ATOM 148 N GLU A 13 22.459 -13.327 -1.243 1.00 0.00 N ATOM 149 CA GLU A 13 21.144 -13.252 -1.870 1.00 0.00 C ATOM 150 C GLU A 13 21.268 -13.209 -3.390 1.00 0.00 C ATOM 151 O GLU A 13 20.428 -13.752 -4.108 1.00 0.00 O ATOM 152 CB GLU A 13 20.389 -12.018 -1.374 1.00 0.00 C ATOM 153 CG GLU A 13 19.460 -12.301 -0.205 1.00 0.00 C ATOM 154 CD GLU A 13 18.054 -11.784 -0.439 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.898 -10.816 -1.212 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.109 -12.348 0.153 1.00 0.00 O ATOM 0 H GLU A 13 22.759 -12.465 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 13 20.586 -14.146 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.110 -11.256 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.807 -11.603 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.423 -13.376 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.866 -11.842 0.697 1.00 0.00 H new ATOM 163 N PHE A 14 22.322 -12.560 -3.874 1.00 0.00 N ATOM 164 CA PHE A 14 22.556 -12.444 -5.309 1.00 0.00 C ATOM 165 C PHE A 14 22.813 -13.814 -5.930 1.00 0.00 C ATOM 166 O PHE A 14 22.222 -14.165 -6.952 1.00 0.00 O ATOM 167 CB PHE A 14 23.743 -11.518 -5.580 1.00 0.00 C ATOM 168 CG PHE A 14 24.455 -11.818 -6.868 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.437 -12.794 -6.921 1.00 0.00 C ATOM 170 CD2 PHE A 14 24.143 -11.123 -8.026 1.00 0.00 C ATOM 171 CE1 PHE A 14 26.094 -13.073 -8.105 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.796 -11.397 -9.212 1.00 0.00 C ATOM 173 CZ PHE A 14 25.774 -12.373 -9.252 1.00 0.00 C ATOM 0 H PHE A 14 23.028 -12.106 -3.294 1.00 0.00 H new ATOM 0 HA PHE A 14 21.662 -12.020 -5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.392 -10.486 -5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.451 -11.598 -4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.692 -13.343 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.381 -10.358 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 14 26.857 -13.837 -8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.543 -10.849 -10.107 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.287 -12.588 -10.178 1.00 0.00 H new ATOM 183 N VAL A 15 23.699 -14.583 -5.306 1.00 0.00 N ATOM 184 CA VAL A 15 24.035 -15.915 -5.796 1.00 0.00 C ATOM 185 C VAL A 15 22.892 -16.894 -5.553 1.00 0.00 C ATOM 186 O VAL A 15 22.821 -17.949 -6.184 1.00 0.00 O ATOM 187 CB VAL A 15 25.311 -16.455 -5.124 1.00 0.00 C ATOM 188 CG1 VAL A 15 25.209 -16.338 -3.611 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.563 -17.896 -5.540 1.00 0.00 C ATOM 0 H VAL A 15 24.197 -14.307 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 15 24.209 -15.823 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 15 26.157 -15.852 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 15 26.120 -16.725 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.080 -15.291 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.353 -16.914 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.469 -18.261 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.717 -18.514 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.685 -17.946 -6.622 1.00 0.00 H new ATOM 199 N ARG A 16 22.000 -16.538 -4.635 1.00 0.00 N ATOM 200 CA ARG A 16 20.861 -17.386 -4.308 1.00 0.00 C ATOM 201 C ARG A 16 19.722 -17.174 -5.301 1.00 0.00 C ATOM 202 O ARG A 16 19.201 -18.129 -5.877 1.00 0.00 O ATOM 203 CB ARG A 16 20.373 -17.096 -2.887 1.00 0.00 C ATOM 204 CG ARG A 16 19.165 -17.923 -2.477 1.00 0.00 C ATOM 205 CD ARG A 16 18.059 -17.048 -1.907 1.00 0.00 C ATOM 206 NE ARG A 16 17.611 -16.040 -2.864 1.00 0.00 N ATOM 207 CZ ARG A 16 16.667 -15.144 -2.599 1.00 0.00 C ATOM 208 NH1 ARG A 16 16.076 -15.129 -1.412 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.313 -14.259 -3.522 1.00 0.00 N ATOM 0 H ARG A 16 22.044 -15.668 -4.105 1.00 0.00 H new ATOM 0 HA ARG A 16 21.185 -18.425 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.187 -17.285 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.123 -16.038 -2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 16 18.788 -18.472 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.464 -18.663 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.215 -17.674 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.416 -16.556 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 16 18.047 -16.023 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.346 -15.807 -0.699 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.351 -14.440 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.766 -14.266 -4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.588 -13.571 -3.318 1.00 0.00 H new ATOM 223 N ASP A 17 19.340 -15.917 -5.495 1.00 0.00 N ATOM 224 CA ASP A 17 18.263 -15.579 -6.419 1.00 0.00 C ATOM 225 C ASP A 17 18.495 -16.222 -7.782 1.00 0.00 C ATOM 226 O ASP A 17 17.556 -16.687 -8.429 1.00 0.00 O ATOM 227 CB ASP A 17 18.150 -14.061 -6.570 1.00 0.00 C ATOM 228 CG ASP A 17 16.817 -13.635 -7.152 1.00 0.00 C ATOM 229 OD1 ASP A 17 15.775 -14.130 -6.673 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.814 -12.807 -8.087 1.00 0.00 O ATOM 0 H ASP A 17 19.760 -15.115 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 17 17.330 -15.966 -6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.285 -13.591 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.955 -13.702 -7.211 1.00 0.00 H new ATOM 235 N LEU A 18 19.751 -16.245 -8.214 1.00 0.00 N ATOM 236 CA LEU A 18 20.107 -16.830 -9.502 1.00 0.00 C ATOM 237 C LEU A 18 19.553 -18.246 -9.628 1.00 0.00 C ATOM 238 O LEU A 18 19.027 -18.627 -10.675 1.00 0.00 O ATOM 239 CB LEU A 18 21.627 -16.849 -9.673 1.00 0.00 C ATOM 240 CG LEU A 18 22.267 -15.537 -10.129 1.00 0.00 C ATOM 241 CD1 LEU A 18 23.751 -15.523 -9.797 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.051 -15.328 -11.621 1.00 0.00 C ATOM 0 H LEU A 18 20.540 -15.865 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 18 19.666 -16.215 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.076 -17.138 -8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.882 -17.625 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 18 21.788 -14.717 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.189 -14.582 -10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 18 23.884 -15.625 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.245 -16.352 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 18 22.513 -14.390 -11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.503 -16.152 -12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 20.982 -15.292 -11.832 1.00 0.00 H new ATOM 254 N LEU A 19 19.671 -19.020 -8.555 1.00 0.00 N ATOM 255 CA LEU A 19 19.179 -20.393 -8.545 1.00 0.00 C ATOM 256 C LEU A 19 17.667 -20.432 -8.741 1.00 0.00 C ATOM 257 O LEU A 19 17.133 -21.355 -9.358 1.00 0.00 O ATOM 258 CB LEU A 19 19.552 -21.079 -7.229 1.00 0.00 C ATOM 259 CG LEU A 19 21.014 -21.502 -7.083 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.448 -21.427 -5.628 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.220 -22.906 -7.632 1.00 0.00 C ATOM 0 H LEU A 19 20.103 -18.720 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 19 19.647 -20.927 -9.372 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.306 -20.405 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.926 -21.963 -7.113 1.00 0.00 H new ATOM 0 HG LEU A 19 21.631 -20.814 -7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.491 -21.732 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.338 -20.404 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.826 -22.091 -5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.266 -23.191 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.592 -23.607 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.949 -22.927 -8.688 1.00 0.00 H new ATOM 273 N LEU A 20 16.982 -19.422 -8.215 1.00 0.00 N ATOM 274 CA LEU A 20 15.530 -19.339 -8.334 1.00 0.00 C ATOM 275 C LEU A 20 15.130 -18.563 -9.585 1.00 0.00 C ATOM 276 O LEU A 20 13.977 -18.608 -10.014 1.00 0.00 O ATOM 277 CB LEU A 20 14.934 -18.672 -7.094 1.00 0.00 C ATOM 278 CG LEU A 20 15.643 -18.961 -5.770 1.00 0.00 C ATOM 279 CD1 LEU A 20 14.953 -18.237 -4.625 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.688 -20.459 -5.506 1.00 0.00 C ATOM 0 H LEU A 20 17.408 -18.650 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 20 15.138 -20.353 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.929 -17.594 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.894 -18.985 -7.002 1.00 0.00 H new ATOM 0 HG LEU A 20 16.667 -18.593 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.472 -18.455 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.973 -17.163 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.919 -18.573 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.196 -20.647 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.672 -20.850 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.229 -20.955 -6.312 1.00 0.00 H new ATOM 292 N SER A 21 16.091 -17.852 -10.167 1.00 0.00 N ATOM 293 CA SER A 21 15.839 -17.064 -11.367 1.00 0.00 C ATOM 294 C SER A 21 16.625 -17.615 -12.553 1.00 0.00 C ATOM 295 O SER A 21 17.686 -17.108 -12.917 1.00 0.00 O ATOM 296 CB SER A 21 16.212 -15.599 -11.130 1.00 0.00 C ATOM 297 OG SER A 21 15.202 -14.928 -10.397 1.00 0.00 O ATOM 0 H SER A 21 17.051 -17.806 -9.826 1.00 0.00 H new ATOM 0 HA SER A 21 14.775 -17.128 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.156 -15.544 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.364 -15.100 -12.087 1.00 0.00 H new ATOM 0 HG SER A 21 15.465 -13.994 -10.257 1.00 0.00 H new ATOM 303 N PRO A 22 16.092 -18.679 -13.172 1.00 0.00 N ATOM 304 CA PRO A 22 16.725 -19.323 -14.327 1.00 0.00 C ATOM 305 C PRO A 22 16.677 -18.450 -15.576 1.00 0.00 C ATOM 306 O PRO A 22 17.335 -18.742 -16.574 1.00 0.00 O ATOM 307 CB PRO A 22 15.892 -20.591 -14.528 1.00 0.00 C ATOM 308 CG PRO A 22 14.561 -20.265 -13.943 1.00 0.00 C ATOM 309 CD PRO A 22 14.830 -19.336 -12.792 1.00 0.00 C ATOM 0 HA PRO A 22 17.784 -19.516 -14.156 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.809 -20.847 -15.584 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.346 -21.447 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.915 -19.793 -14.683 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.052 -21.168 -13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.024 -18.614 -12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.927 -19.879 -11.852 1.00 0.00 H new ATOM 317 N GLU A 23 15.894 -17.377 -15.513 1.00 0.00 N ATOM 318 CA GLU A 23 15.761 -16.462 -16.640 1.00 0.00 C ATOM 319 C GLU A 23 16.959 -15.520 -16.721 1.00 0.00 C ATOM 320 O GLU A 23 17.296 -15.020 -17.794 1.00 0.00 O ATOM 321 CB GLU A 23 14.469 -15.652 -16.518 1.00 0.00 C ATOM 322 CG GLU A 23 13.463 -15.941 -17.620 1.00 0.00 C ATOM 323 CD GLU A 23 12.051 -15.542 -17.240 1.00 0.00 C ATOM 324 OE1 GLU A 23 11.553 -16.037 -16.207 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.443 -14.736 -17.975 1.00 0.00 O ATOM 0 H GLU A 23 15.343 -17.121 -14.694 1.00 0.00 H new ATOM 0 HA GLU A 23 15.725 -17.055 -17.554 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.008 -15.862 -15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.713 -14.590 -16.530 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.757 -15.407 -18.524 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.485 -17.005 -17.857 1.00 0.00 H new ATOM 332 N GLU A 24 17.597 -15.284 -15.579 1.00 0.00 N ATOM 333 CA GLU A 24 18.756 -14.401 -15.521 1.00 0.00 C ATOM 334 C GLU A 24 20.048 -15.206 -15.416 1.00 0.00 C ATOM 335 O GLU A 24 21.041 -14.892 -16.070 1.00 0.00 O ATOM 336 CB GLU A 24 18.638 -13.447 -14.330 1.00 0.00 C ATOM 337 CG GLU A 24 18.020 -12.105 -14.684 1.00 0.00 C ATOM 338 CD GLU A 24 18.995 -10.954 -14.526 1.00 0.00 C ATOM 339 OE1 GLU A 24 19.859 -11.026 -13.628 1.00 0.00 O ATOM 340 OE2 GLU A 24 18.892 -9.980 -15.302 1.00 0.00 O ATOM 0 H GLU A 24 17.331 -15.691 -14.682 1.00 0.00 H new ATOM 0 HA GLU A 24 18.785 -13.819 -16.442 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.037 -13.921 -13.554 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.629 -13.281 -13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.662 -12.134 -15.713 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.151 -11.930 -14.049 1.00 0.00 H new ATOM 347 N ASN A 25 20.025 -16.245 -14.588 1.00 0.00 N ATOM 348 CA ASN A 25 21.195 -17.095 -14.396 1.00 0.00 C ATOM 349 C ASN A 25 21.469 -17.933 -15.641 1.00 0.00 C ATOM 350 O ASN A 25 20.567 -18.576 -16.179 1.00 0.00 O ATOM 351 CB ASN A 25 20.994 -18.009 -13.186 1.00 0.00 C ATOM 352 CG ASN A 25 22.009 -19.135 -13.137 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.016 -19.109 -13.844 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.746 -20.132 -12.299 1.00 0.00 N ATOM 0 H ASN A 25 19.210 -16.519 -14.039 1.00 0.00 H new ATOM 0 HA ASN A 25 22.056 -16.451 -14.217 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.066 -17.419 -12.272 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.989 -18.430 -13.215 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.392 -20.918 -12.223 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.898 -20.111 -11.732 1.00 0.00 H new ATOM 361 N CYS A 26 22.718 -17.921 -16.092 1.00 0.00 N ATOM 362 CA CYS A 26 23.111 -18.680 -17.275 1.00 0.00 C ATOM 363 C CYS A 26 24.129 -19.758 -16.915 1.00 0.00 C ATOM 364 O CYS A 26 25.336 -19.547 -17.023 1.00 0.00 O ATOM 365 CB CYS A 26 23.694 -17.745 -18.336 1.00 0.00 C ATOM 366 SG CYS A 26 23.045 -18.023 -20.000 1.00 0.00 S ATOM 0 H CYS A 26 23.476 -17.395 -15.657 1.00 0.00 H new ATOM 0 HA CYS A 26 22.222 -19.165 -17.678 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.493 -16.714 -18.046 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.777 -17.865 -18.355 1.00 0.00 H new ATOM 0 HG CYS A 26 23.595 -17.184 -20.826 1.00 0.00 H new ATOM 372 N GLY A 27 23.632 -20.914 -16.486 1.00 0.00 N ATOM 373 CA GLY A 27 24.511 -22.007 -16.115 1.00 0.00 C ATOM 374 C GLY A 27 25.640 -21.561 -15.207 1.00 0.00 C ATOM 375 O GLY A 27 26.794 -21.937 -15.411 1.00 0.00 O ATOM 0 H GLY A 27 22.636 -21.113 -16.389 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.931 -22.782 -15.614 1.00 0.00 H new ATOM 0 HA3 GLY A 27 24.929 -22.455 -17.016 1.00 0.00 H new ATOM 379 N ILE A 28 25.307 -20.756 -14.203 1.00 0.00 N ATOM 380 CA ILE A 28 26.301 -20.258 -13.262 1.00 0.00 C ATOM 381 C ILE A 28 26.302 -21.079 -11.977 1.00 0.00 C ATOM 382 O ILE A 28 27.334 -21.228 -11.322 1.00 0.00 O ATOM 383 CB ILE A 28 26.055 -18.779 -12.912 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.854 -17.957 -14.188 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.215 -18.226 -12.098 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.466 -16.519 -13.925 1.00 0.00 C ATOM 0 H ILE A 28 24.356 -20.435 -14.021 1.00 0.00 H new ATOM 0 HA ILE A 28 27.271 -20.351 -13.751 1.00 0.00 H new ATOM 0 HB ILE A 28 25.149 -18.710 -12.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.775 -17.976 -14.771 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.082 -18.428 -14.796 1.00 0.00 H new ATOM 0 HG21 ILE A 28 27.025 -17.180 -11.859 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.316 -18.797 -11.175 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.136 -18.305 -12.676 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.340 -15.997 -14.873 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.529 -16.491 -13.368 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.248 -16.032 -13.343 1.00 0.00 H new ATOM 398 N LEU A 29 25.138 -21.611 -11.621 1.00 0.00 N ATOM 399 CA LEU A 29 25.003 -22.420 -10.415 1.00 0.00 C ATOM 400 C LEU A 29 24.127 -23.642 -10.673 1.00 0.00 C ATOM 401 O LEU A 29 23.506 -23.759 -11.729 1.00 0.00 O ATOM 402 CB LEU A 29 24.409 -21.584 -9.280 1.00 0.00 C ATOM 403 CG LEU A 29 24.999 -20.185 -9.097 1.00 0.00 C ATOM 404 CD1 LEU A 29 23.905 -19.185 -8.756 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.071 -20.196 -8.017 1.00 0.00 C ATOM 0 H LEU A 29 24.274 -21.497 -12.151 1.00 0.00 H new ATOM 0 HA LEU A 29 25.996 -22.763 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.337 -21.485 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.533 -22.134 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 29 25.461 -19.880 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.343 -18.195 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.173 -19.157 -9.563 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.413 -19.485 -7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.480 -19.192 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.633 -20.522 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.869 -20.882 -8.303 1.00 0.00 H new ATOM 417 N GLU A 30 24.082 -24.548 -9.701 1.00 0.00 N ATOM 418 CA GLU A 30 23.281 -25.760 -9.824 1.00 0.00 C ATOM 419 C GLU A 30 22.728 -26.187 -8.468 1.00 0.00 C ATOM 420 O GLU A 30 23.301 -25.870 -7.425 1.00 0.00 O ATOM 421 CB GLU A 30 24.117 -26.892 -10.426 1.00 0.00 C ATOM 422 CG GLU A 30 25.363 -27.221 -9.622 1.00 0.00 C ATOM 423 CD GLU A 30 25.796 -28.665 -9.783 1.00 0.00 C ATOM 424 OE1 GLU A 30 25.498 -29.260 -10.840 1.00 0.00 O ATOM 425 OE2 GLU A 30 26.435 -29.200 -8.853 1.00 0.00 O ATOM 0 H GLU A 30 24.590 -24.466 -8.821 1.00 0.00 H new ATOM 0 HA GLU A 30 22.443 -25.545 -10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 23.499 -27.786 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.410 -26.617 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 30 26.176 -26.565 -9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.175 -27.017 -8.568 1.00 0.00 H new ATOM 432 N TRP A 31 21.612 -26.907 -8.490 1.00 0.00 N ATOM 433 CA TRP A 31 20.981 -27.377 -7.262 1.00 0.00 C ATOM 434 C TRP A 31 21.368 -28.822 -6.970 1.00 0.00 C ATOM 435 O TRP A 31 20.856 -29.749 -7.597 1.00 0.00 O ATOM 436 CB TRP A 31 19.460 -27.254 -7.367 1.00 0.00 C ATOM 437 CG TRP A 31 18.937 -25.930 -6.896 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.188 -25.043 -7.615 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.126 -25.345 -5.604 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.900 -23.941 -6.847 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.463 -24.102 -5.608 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.788 -25.750 -4.442 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.446 -23.263 -4.497 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.770 -24.917 -3.340 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.102 -23.686 -3.373 1.00 0.00 C ATOM 0 H TRP A 31 21.126 -27.178 -9.345 1.00 0.00 H new ATOM 0 HA TRP A 31 21.333 -26.754 -6.440 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.161 -27.407 -8.404 1.00 0.00 H new ATOM 0 HB3 TRP A 31 18.997 -28.048 -6.782 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.869 -25.187 -8.637 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.355 -23.134 -7.150 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.305 -26.698 -4.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.934 -22.313 -4.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.280 -25.220 -2.437 1.00 0.00 H new ATOM 0 HH2 TRP A 31 19.105 -23.058 -2.494 1.00 0.00 H new ATOM 456 N GLU A 32 22.274 -29.007 -6.015 1.00 0.00 N ATOM 457 CA GLU A 32 22.729 -30.341 -5.641 1.00 0.00 C ATOM 458 C GLU A 32 21.795 -30.964 -4.608 1.00 0.00 C ATOM 459 O GLU A 32 21.695 -32.187 -4.504 1.00 0.00 O ATOM 460 CB GLU A 32 24.154 -30.282 -5.088 1.00 0.00 C ATOM 461 CG GLU A 32 25.220 -30.157 -6.163 1.00 0.00 C ATOM 462 CD GLU A 32 25.273 -31.367 -7.075 1.00 0.00 C ATOM 463 OE1 GLU A 32 25.483 -32.487 -6.565 1.00 0.00 O ATOM 464 OE2 GLU A 32 25.104 -31.194 -8.301 1.00 0.00 O ATOM 0 H GLU A 32 22.707 -28.250 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 32 22.721 -30.964 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.236 -29.435 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.345 -31.181 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.027 -29.265 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.193 -30.020 -5.691 1.00 0.00 H new ATOM 471 N ASP A 33 21.115 -30.115 -3.845 1.00 0.00 N ATOM 472 CA ASP A 33 20.189 -30.582 -2.820 1.00 0.00 C ATOM 473 C ASP A 33 19.330 -29.433 -2.300 1.00 0.00 C ATOM 474 O ASP A 33 19.747 -28.683 -1.418 1.00 0.00 O ATOM 475 CB ASP A 33 20.957 -31.224 -1.663 1.00 0.00 C ATOM 476 CG ASP A 33 20.505 -32.645 -1.387 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.483 -32.817 -0.691 1.00 0.00 O ATOM 478 OD2 ASP A 33 21.175 -33.584 -1.866 1.00 0.00 O ATOM 0 H ASP A 33 21.188 -29.100 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 33 19.534 -31.328 -3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 33 22.023 -31.223 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.824 -30.622 -0.764 1.00 0.00 H new ATOM 483 N ARG A 34 18.129 -29.302 -2.855 1.00 0.00 N ATOM 484 CA ARG A 34 17.212 -28.243 -2.449 1.00 0.00 C ATOM 485 C ARG A 34 16.754 -28.444 -1.007 1.00 0.00 C ATOM 486 O ARG A 34 16.572 -27.480 -0.265 1.00 0.00 O ATOM 487 CB ARG A 34 15.999 -28.205 -3.381 1.00 0.00 C ATOM 488 CG ARG A 34 15.296 -26.858 -3.411 1.00 0.00 C ATOM 489 CD ARG A 34 15.608 -26.095 -4.689 1.00 0.00 C ATOM 490 NE ARG A 34 14.754 -24.921 -4.848 1.00 0.00 N ATOM 491 CZ ARG A 34 14.691 -24.205 -5.965 1.00 0.00 C ATOM 492 NH1 ARG A 34 15.427 -24.541 -7.015 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.889 -23.150 -6.033 1.00 0.00 N ATOM 0 H ARG A 34 17.769 -29.915 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 34 17.742 -27.293 -2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.319 -28.461 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.288 -28.970 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.219 -27.006 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.604 -26.267 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.653 -25.785 -4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.479 -26.756 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 34 14.175 -24.635 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.044 -25.352 -6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.376 -23.989 -7.871 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.321 -22.889 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.841 -22.600 -6.891 1.00 0.00 H new ATOM 507 N GLU A 35 16.569 -29.702 -0.620 1.00 0.00 N ATOM 508 CA GLU A 35 16.130 -30.028 0.732 1.00 0.00 C ATOM 509 C GLU A 35 17.106 -29.478 1.768 1.00 0.00 C ATOM 510 O GLU A 35 16.700 -28.857 2.749 1.00 0.00 O ATOM 511 CB GLU A 35 15.995 -31.543 0.896 1.00 0.00 C ATOM 512 CG GLU A 35 14.722 -32.110 0.291 1.00 0.00 C ATOM 513 CD GLU A 35 13.472 -31.624 1.000 1.00 0.00 C ATOM 514 OE1 GLU A 35 13.455 -31.637 2.248 1.00 0.00 O ATOM 515 OE2 GLU A 35 12.512 -31.230 0.305 1.00 0.00 O ATOM 0 H GLU A 35 16.716 -30.512 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 35 15.157 -29.564 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.854 -32.028 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.024 -31.789 1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.669 -31.832 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.758 -33.199 0.332 1.00 0.00 H new ATOM 522 N GLN A 36 18.395 -29.711 1.541 1.00 0.00 N ATOM 523 CA GLN A 36 19.429 -29.241 2.455 1.00 0.00 C ATOM 524 C GLN A 36 19.820 -27.801 2.139 1.00 0.00 C ATOM 525 O GLN A 36 20.254 -27.058 3.018 1.00 0.00 O ATOM 526 CB GLN A 36 20.660 -30.145 2.376 1.00 0.00 C ATOM 527 CG GLN A 36 20.330 -31.628 2.434 1.00 0.00 C ATOM 528 CD GLN A 36 21.393 -32.435 3.152 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.236 -33.073 2.521 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.360 -32.411 4.479 1.00 0.00 N ATOM 0 H GLN A 36 18.748 -30.222 0.732 1.00 0.00 H new ATOM 0 HA GLN A 36 19.027 -29.276 3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.195 -29.936 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.335 -29.899 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.373 -31.764 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.212 -32.010 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.644 -31.869 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.051 -32.935 5.016 1.00 0.00 H new ATOM 539 N GLY A 37 19.664 -27.413 0.877 1.00 0.00 N ATOM 540 CA GLY A 37 20.006 -26.064 0.467 1.00 0.00 C ATOM 541 C GLY A 37 21.427 -25.957 -0.050 1.00 0.00 C ATOM 542 O GLY A 37 22.047 -24.896 0.033 1.00 0.00 O ATOM 0 H GLY A 37 19.307 -28.010 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.315 -25.738 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.878 -25.388 1.312 1.00 0.00 H new ATOM 546 N ILE A 38 21.945 -27.059 -0.583 1.00 0.00 N ATOM 547 CA ILE A 38 23.301 -27.084 -1.115 1.00 0.00 C ATOM 548 C ILE A 38 23.317 -26.729 -2.598 1.00 0.00 C ATOM 549 O ILE A 38 22.425 -27.120 -3.351 1.00 0.00 O ATOM 550 CB ILE A 38 23.956 -28.465 -0.922 1.00 0.00 C ATOM 551 CG1 ILE A 38 24.030 -28.815 0.566 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.343 -28.486 -1.547 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.960 -30.301 0.841 1.00 0.00 C ATOM 0 H ILE A 38 21.446 -27.945 -0.658 1.00 0.00 H new ATOM 0 HA ILE A 38 23.871 -26.339 -0.560 1.00 0.00 H new ATOM 0 HB ILE A 38 23.343 -29.215 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.959 -28.421 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.213 -28.318 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.792 -29.468 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.265 -28.277 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.967 -27.728 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 38 24.018 -30.475 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.019 -30.698 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.792 -30.802 0.347 1.00 0.00 H new ATOM 565 N PHE A 39 24.339 -25.988 -3.013 1.00 0.00 N ATOM 566 CA PHE A 39 24.473 -25.581 -4.406 1.00 0.00 C ATOM 567 C PHE A 39 25.942 -25.468 -4.802 1.00 0.00 C ATOM 568 O PHE A 39 26.798 -25.164 -3.971 1.00 0.00 O ATOM 569 CB PHE A 39 23.766 -24.243 -4.639 1.00 0.00 C ATOM 570 CG PHE A 39 24.389 -23.099 -3.892 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.128 -22.910 -2.545 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.234 -22.211 -4.538 1.00 0.00 C ATOM 573 CE1 PHE A 39 24.699 -21.857 -1.854 1.00 0.00 C ATOM 574 CE2 PHE A 39 25.809 -21.157 -3.853 1.00 0.00 C ATOM 575 CZ PHE A 39 25.540 -20.979 -2.510 1.00 0.00 C ATOM 0 H PHE A 39 25.087 -25.657 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 39 24.006 -26.345 -5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.774 -24.018 -5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.722 -24.336 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.471 -23.593 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.446 -22.344 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.488 -21.721 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.468 -20.473 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 39 25.986 -20.155 -1.974 1.00 0.00 H new ATOM 585 N ARG A 40 26.226 -25.716 -6.076 1.00 0.00 N ATOM 586 CA ARG A 40 27.592 -25.644 -6.582 1.00 0.00 C ATOM 587 C ARG A 40 27.758 -24.463 -7.534 1.00 0.00 C ATOM 588 O ARG A 40 26.825 -24.090 -8.245 1.00 0.00 O ATOM 589 CB ARG A 40 27.962 -26.945 -7.297 1.00 0.00 C ATOM 590 CG ARG A 40 29.222 -26.839 -8.141 1.00 0.00 C ATOM 591 CD ARG A 40 29.347 -28.008 -9.105 1.00 0.00 C ATOM 592 NE ARG A 40 30.280 -27.724 -10.192 1.00 0.00 N ATOM 593 CZ ARG A 40 30.364 -28.455 -11.298 1.00 0.00 C ATOM 594 NH1 ARG A 40 29.575 -29.507 -11.463 1.00 0.00 N ATOM 595 NH2 ARG A 40 31.239 -28.133 -12.242 1.00 0.00 N ATOM 0 H ARG A 40 25.529 -25.968 -6.777 1.00 0.00 H new ATOM 0 HA ARG A 40 28.260 -25.501 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 40 28.097 -27.732 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 40 27.132 -27.248 -7.935 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.208 -25.904 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.096 -26.808 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.682 -28.892 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.367 -28.242 -9.520 1.00 0.00 H new ATOM 0 HE ARG A 40 30.901 -26.920 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.901 -29.757 -10.740 1.00 0.00 H new ATOM 0 HH12 ARG A 40 29.642 -30.066 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.848 -27.324 -12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.303 -28.695 -13.091 1.00 0.00 H new ATOM 609 N VAL A 41 28.952 -23.878 -7.540 1.00 0.00 N ATOM 610 CA VAL A 41 29.240 -22.740 -8.404 1.00 0.00 C ATOM 611 C VAL A 41 29.873 -23.192 -9.716 1.00 0.00 C ATOM 612 O VAL A 41 31.094 -23.170 -9.868 1.00 0.00 O ATOM 613 CB VAL A 41 30.181 -21.735 -7.713 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.514 -20.583 -8.649 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.557 -21.222 -6.424 1.00 0.00 C ATOM 0 H VAL A 41 29.735 -24.174 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 41 28.288 -22.252 -8.612 1.00 0.00 H new ATOM 0 HB VAL A 41 31.110 -22.247 -7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.180 -19.884 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.005 -20.970 -9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.596 -20.069 -8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.235 -20.513 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.613 -20.726 -6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.376 -22.059 -5.749 1.00 0.00 H new ATOM 625 N VAL A 42 29.033 -23.601 -10.661 1.00 0.00 N ATOM 626 CA VAL A 42 29.510 -24.057 -11.962 1.00 0.00 C ATOM 627 C VAL A 42 30.462 -23.043 -12.584 1.00 0.00 C ATOM 628 O VAL A 42 31.540 -23.398 -13.061 1.00 0.00 O ATOM 629 CB VAL A 42 28.340 -24.308 -12.931 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.859 -24.749 -14.291 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.384 -25.342 -12.355 1.00 0.00 C ATOM 0 H VAL A 42 28.019 -23.626 -10.551 1.00 0.00 H new ATOM 0 HA VAL A 42 30.041 -24.994 -11.794 1.00 0.00 H new ATOM 0 HB VAL A 42 27.793 -23.375 -13.063 1.00 0.00 H new ATOM 0 HG11 VAL A 42 28.018 -24.922 -14.963 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.501 -23.971 -14.705 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.431 -25.670 -14.181 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.563 -25.507 -13.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.916 -26.279 -12.193 1.00 0.00 H new ATOM 0 HG23 VAL A 42 26.987 -24.981 -11.406 1.00 0.00 H new ATOM 641 N LYS A 43 30.058 -21.777 -12.577 1.00 0.00 N ATOM 642 CA LYS A 43 30.875 -20.709 -13.139 1.00 0.00 C ATOM 643 C LYS A 43 31.334 -19.744 -12.050 1.00 0.00 C ATOM 644 O LYS A 43 30.544 -18.953 -11.535 1.00 0.00 O ATOM 645 CB LYS A 43 30.091 -19.949 -14.211 1.00 0.00 C ATOM 646 CG LYS A 43 29.814 -20.769 -15.459 1.00 0.00 C ATOM 647 CD LYS A 43 28.896 -20.032 -16.419 1.00 0.00 C ATOM 648 CE LYS A 43 28.681 -20.821 -17.701 1.00 0.00 C ATOM 649 NZ LYS A 43 29.764 -20.572 -18.693 1.00 0.00 N ATOM 0 H LYS A 43 29.168 -21.466 -12.188 1.00 0.00 H new ATOM 0 HA LYS A 43 31.756 -21.161 -13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.143 -19.616 -13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.648 -19.055 -14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.754 -21.001 -15.959 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.360 -21.719 -15.178 1.00 0.00 H new ATOM 0 HD2 LYS A 43 27.935 -19.849 -15.937 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.323 -19.058 -16.657 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.638 -21.885 -17.470 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.719 -20.550 -18.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.582 -21.128 -19.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.789 -19.560 -18.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.679 -20.854 -18.286 1.00 0.00 H new ATOM 663 N SER A 44 32.616 -19.814 -11.705 1.00 0.00 N ATOM 664 CA SER A 44 33.179 -18.948 -10.676 1.00 0.00 C ATOM 665 C SER A 44 33.516 -17.574 -11.246 1.00 0.00 C ATOM 666 O SER A 44 33.510 -16.574 -10.529 1.00 0.00 O ATOM 667 CB SER A 44 34.433 -19.585 -10.074 1.00 0.00 C ATOM 668 OG SER A 44 35.539 -19.461 -10.951 1.00 0.00 O ATOM 0 H SER A 44 33.284 -20.462 -12.123 1.00 0.00 H new ATOM 0 HA SER A 44 32.432 -18.823 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.665 -19.109 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.246 -20.639 -9.866 1.00 0.00 H new ATOM 0 HG SER A 44 36.328 -19.874 -10.543 1.00 0.00 H new ATOM 674 N GLU A 45 33.811 -17.534 -12.542 1.00 0.00 N ATOM 675 CA GLU A 45 34.153 -16.284 -13.209 1.00 0.00 C ATOM 676 C GLU A 45 32.895 -15.492 -13.558 1.00 0.00 C ATOM 677 O GLU A 45 32.906 -14.262 -13.565 1.00 0.00 O ATOM 678 CB GLU A 45 34.962 -16.561 -14.478 1.00 0.00 C ATOM 679 CG GLU A 45 34.220 -17.404 -15.501 1.00 0.00 C ATOM 680 CD GLU A 45 35.157 -18.160 -16.423 1.00 0.00 C ATOM 681 OE1 GLU A 45 35.882 -19.051 -15.933 1.00 0.00 O ATOM 682 OE2 GLU A 45 35.164 -17.860 -17.636 1.00 0.00 O ATOM 0 H GLU A 45 33.820 -18.353 -13.150 1.00 0.00 H new ATOM 0 HA GLU A 45 34.758 -15.690 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 45 35.241 -15.612 -14.935 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.888 -17.067 -14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.575 -18.114 -14.983 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.572 -16.760 -16.096 1.00 0.00 H new ATOM 689 N ALA A 46 31.814 -16.209 -13.847 1.00 0.00 N ATOM 690 CA ALA A 46 30.548 -15.575 -14.195 1.00 0.00 C ATOM 691 C ALA A 46 29.820 -15.081 -12.949 1.00 0.00 C ATOM 692 O ALA A 46 29.150 -14.048 -12.978 1.00 0.00 O ATOM 693 CB ALA A 46 29.670 -16.543 -14.973 1.00 0.00 C ATOM 0 H ALA A 46 31.789 -17.229 -13.847 1.00 0.00 H new ATOM 0 HA ALA A 46 30.763 -14.711 -14.824 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.728 -16.057 -15.226 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.181 -16.843 -15.888 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.471 -17.424 -14.363 1.00 0.00 H new ATOM 699 N LEU A 47 29.955 -15.825 -11.857 1.00 0.00 N ATOM 700 CA LEU A 47 29.310 -15.463 -10.600 1.00 0.00 C ATOM 701 C LEU A 47 29.838 -14.130 -10.081 1.00 0.00 C ATOM 702 O LEU A 47 29.065 -13.239 -9.730 1.00 0.00 O ATOM 703 CB LEU A 47 29.536 -16.557 -9.555 1.00 0.00 C ATOM 704 CG LEU A 47 28.941 -16.295 -8.171 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.433 -16.491 -8.192 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.584 -17.204 -7.133 1.00 0.00 C ATOM 0 H LEU A 47 30.505 -16.683 -11.817 1.00 0.00 H new ATOM 0 HA LEU A 47 28.241 -15.361 -10.785 1.00 0.00 H new ATOM 0 HB2 LEU A 47 29.119 -17.489 -9.937 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.610 -16.710 -9.444 1.00 0.00 H new ATOM 0 HG LEU A 47 29.149 -15.260 -7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 47 27.027 -16.300 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.986 -15.799 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 47 27.203 -17.515 -8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.148 -17.004 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.408 -18.245 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.657 -17.015 -7.098 1.00 0.00 H new ATOM 718 N ALA A 48 31.160 -14.000 -10.037 1.00 0.00 N ATOM 719 CA ALA A 48 31.791 -12.774 -9.565 1.00 0.00 C ATOM 720 C ALA A 48 31.567 -11.628 -10.545 1.00 0.00 C ATOM 721 O ALA A 48 31.292 -10.497 -10.143 1.00 0.00 O ATOM 722 CB ALA A 48 33.280 -12.999 -9.344 1.00 0.00 C ATOM 0 H ALA A 48 31.814 -14.729 -10.322 1.00 0.00 H new ATOM 0 HA ALA A 48 31.331 -12.500 -8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.739 -12.075 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.423 -13.782 -8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.746 -13.301 -10.282 1.00 0.00 H new ATOM 728 N LYS A 49 31.688 -11.927 -11.835 1.00 0.00 N ATOM 729 CA LYS A 49 31.498 -10.922 -12.874 1.00 0.00 C ATOM 730 C LYS A 49 30.122 -10.275 -12.760 1.00 0.00 C ATOM 731 O LYS A 49 30.003 -9.050 -12.721 1.00 0.00 O ATOM 732 CB LYS A 49 31.664 -11.553 -14.258 1.00 0.00 C ATOM 733 CG LYS A 49 33.081 -11.469 -14.799 1.00 0.00 C ATOM 734 CD LYS A 49 33.179 -12.055 -16.198 1.00 0.00 C ATOM 735 CE LYS A 49 34.601 -11.983 -16.733 1.00 0.00 C ATOM 736 NZ LYS A 49 35.334 -13.264 -16.534 1.00 0.00 N ATOM 0 H LYS A 49 31.917 -12.857 -12.185 1.00 0.00 H new ATOM 0 HA LYS A 49 32.255 -10.149 -12.740 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.364 -12.600 -14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.988 -11.060 -14.956 1.00 0.00 H new ATOM 0 HG2 LYS A 49 33.404 -10.428 -14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.758 -12.002 -14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 49 32.847 -13.093 -16.183 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.509 -11.515 -16.868 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.577 -11.739 -17.795 1.00 0.00 H new ATOM 0 HE3 LYS A 49 35.137 -11.176 -16.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.299 -13.174 -16.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 35.379 -13.484 -15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 34.837 -14.029 -17.033 1.00 0.00 H new ATOM 750 N MET A 50 29.085 -11.104 -12.707 1.00 0.00 N ATOM 751 CA MET A 50 27.717 -10.612 -12.595 1.00 0.00 C ATOM 752 C MET A 50 27.511 -9.874 -11.276 1.00 0.00 C ATOM 753 O MET A 50 26.926 -8.792 -11.245 1.00 0.00 O ATOM 754 CB MET A 50 26.724 -11.770 -12.706 1.00 0.00 C ATOM 755 CG MET A 50 26.105 -11.910 -14.087 1.00 0.00 C ATOM 756 SD MET A 50 24.375 -11.403 -14.126 1.00 0.00 S ATOM 757 CE MET A 50 23.643 -12.609 -13.022 1.00 0.00 C ATOM 0 H MET A 50 29.166 -12.120 -12.740 1.00 0.00 H new ATOM 0 HA MET A 50 27.541 -9.914 -13.413 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.232 -12.699 -12.449 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.929 -11.628 -11.973 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.672 -11.309 -14.798 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.183 -12.947 -14.413 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.636 -12.851 -13.363 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.251 -13.514 -13.016 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.596 -12.198 -12.014 1.00 0.00 H new ATOM 767 N TRP A 51 27.995 -10.467 -10.191 1.00 0.00 N ATOM 768 CA TRP A 51 27.863 -9.866 -8.868 1.00 0.00 C ATOM 769 C TRP A 51 28.472 -8.469 -8.843 1.00 0.00 C ATOM 770 O TRP A 51 27.811 -7.499 -8.475 1.00 0.00 O ATOM 771 CB TRP A 51 28.534 -10.748 -7.815 1.00 0.00 C ATOM 772 CG TRP A 51 28.577 -10.121 -6.454 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.667 -10.004 -5.640 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.481 -9.527 -5.750 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.314 -9.373 -4.471 1.00 0.00 N ATOM 776 CE2 TRP A 51 27.979 -9.070 -4.514 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.128 -9.336 -6.043 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.171 -8.435 -3.575 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.327 -8.706 -5.110 1.00 0.00 C ATOM 780 CH2 TRP A 51 25.850 -8.261 -3.888 1.00 0.00 C ATOM 0 H TRP A 51 28.482 -11.363 -10.201 1.00 0.00 H new ATOM 0 HA TRP A 51 26.801 -9.783 -8.638 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.001 -11.697 -7.753 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.551 -10.974 -8.135 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.660 -10.355 -5.879 1.00 0.00 H new ATOM 0 HE1 TRP A 51 29.944 -9.164 -3.697 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.716 -9.675 -6.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.572 -8.092 -2.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.280 -8.554 -5.326 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.198 -7.771 -3.180 1.00 0.00 H new ATOM 791 N GLY A 52 29.739 -8.373 -9.236 1.00 0.00 N ATOM 792 CA GLY A 52 30.416 -7.089 -9.251 1.00 0.00 C ATOM 793 C GLY A 52 29.567 -5.993 -9.863 1.00 0.00 C ATOM 794 O GLY A 52 29.538 -4.869 -9.361 1.00 0.00 O ATOM 0 H GLY A 52 30.308 -9.161 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.683 -6.811 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.347 -7.179 -9.811 1.00 0.00 H new ATOM 798 N GLN A 53 28.877 -6.319 -10.951 1.00 0.00 N ATOM 799 CA GLN A 53 28.026 -5.351 -11.634 1.00 0.00 C ATOM 800 C GLN A 53 26.934 -4.835 -10.703 1.00 0.00 C ATOM 801 O GLN A 53 26.491 -3.693 -10.823 1.00 0.00 O ATOM 802 CB GLN A 53 27.397 -5.982 -12.877 1.00 0.00 C ATOM 803 CG GLN A 53 28.327 -6.017 -14.078 1.00 0.00 C ATOM 804 CD GLN A 53 27.917 -5.042 -15.164 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.535 -3.906 -14.882 1.00 0.00 O ATOM 806 NE2 GLN A 53 27.993 -5.481 -16.415 1.00 0.00 N ATOM 0 H GLN A 53 28.890 -7.245 -11.378 1.00 0.00 H new ATOM 0 HA GLN A 53 28.647 -4.508 -11.938 1.00 0.00 H new ATOM 0 HB2 GLN A 53 27.085 -6.999 -12.640 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.497 -5.426 -13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.342 -5.787 -13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.345 -7.026 -14.489 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.315 -6.430 -16.604 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.729 -4.869 -17.187 1.00 0.00 H new ATOM 815 N ARG A 54 26.504 -5.684 -9.775 1.00 0.00 N ATOM 816 CA ARG A 54 25.462 -5.314 -8.825 1.00 0.00 C ATOM 817 C ARG A 54 25.979 -4.284 -7.825 1.00 0.00 C ATOM 818 O ARG A 54 25.247 -3.388 -7.404 1.00 0.00 O ATOM 819 CB ARG A 54 24.956 -6.552 -8.082 1.00 0.00 C ATOM 820 CG ARG A 54 24.788 -7.771 -8.974 1.00 0.00 C ATOM 821 CD ARG A 54 23.851 -7.484 -10.137 1.00 0.00 C ATOM 822 NE ARG A 54 22.457 -7.757 -9.798 1.00 0.00 N ATOM 823 CZ ARG A 54 21.448 -7.584 -10.644 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.676 -7.141 -11.872 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.206 -7.854 -10.261 1.00 0.00 N ATOM 0 H ARG A 54 26.861 -6.633 -9.661 1.00 0.00 H new ATOM 0 HA ARG A 54 24.637 -4.871 -9.383 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.652 -6.793 -7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 54 23.999 -6.319 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.761 -8.080 -9.357 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.397 -8.602 -8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.954 -6.441 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.141 -8.091 -10.994 1.00 0.00 H new ATOM 0 HE ARG A 54 22.247 -8.099 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.629 -6.932 -12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.899 -7.009 -12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.026 -8.195 -9.316 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.431 -7.721 -10.911 1.00 0.00 H new ATOM 839 N LYS A 55 27.246 -4.417 -7.448 1.00 0.00 N ATOM 840 CA LYS A 55 27.863 -3.499 -6.498 1.00 0.00 C ATOM 841 C LYS A 55 28.502 -2.317 -7.221 1.00 0.00 C ATOM 842 O LYS A 55 29.019 -1.395 -6.589 1.00 0.00 O ATOM 843 CB LYS A 55 28.918 -4.229 -5.663 1.00 0.00 C ATOM 844 CG LYS A 55 28.347 -5.344 -4.804 1.00 0.00 C ATOM 845 CD LYS A 55 28.622 -5.108 -3.328 1.00 0.00 C ATOM 846 CE LYS A 55 27.416 -4.501 -2.627 1.00 0.00 C ATOM 847 NZ LYS A 55 27.810 -3.727 -1.417 1.00 0.00 N ATOM 0 H LYS A 55 27.866 -5.153 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 55 27.083 -3.121 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.673 -4.645 -6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.423 -3.508 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.272 -5.416 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.780 -6.297 -5.108 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.885 -6.052 -2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 55 29.480 -4.445 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.884 -3.848 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.724 -5.294 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.961 -3.329 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.295 -4.356 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 28.450 -2.955 -1.692 1.00 0.00 H new ATOM 861 N LYS A 56 28.461 -2.349 -8.549 1.00 0.00 N ATOM 862 CA LYS A 56 29.032 -1.279 -9.358 1.00 0.00 C ATOM 863 C LYS A 56 30.546 -1.215 -9.185 1.00 0.00 C ATOM 864 O LYS A 56 31.148 -0.147 -9.292 1.00 0.00 O ATOM 865 CB LYS A 56 28.407 0.065 -8.979 1.00 0.00 C ATOM 866 CG LYS A 56 27.722 0.767 -10.139 1.00 0.00 C ATOM 867 CD LYS A 56 28.691 1.651 -10.905 1.00 0.00 C ATOM 868 CE LYS A 56 28.167 1.978 -12.295 1.00 0.00 C ATOM 869 NZ LYS A 56 27.936 3.438 -12.472 1.00 0.00 N ATOM 0 H LYS A 56 28.038 -3.105 -9.088 1.00 0.00 H new ATOM 0 HA LYS A 56 28.812 -1.492 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 56 27.681 -0.094 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.183 0.717 -8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.294 0.025 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 56 26.896 1.371 -9.764 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.858 2.575 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.655 1.150 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 56 28.880 1.630 -13.043 1.00 0.00 H new ATOM 0 HE3 LYS A 56 27.235 1.439 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 27.579 3.619 -13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 27.237 3.766 -11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 28.830 3.950 -12.333 1.00 0.00 H new ATOM 883 N ASN A 57 31.156 -2.366 -8.918 1.00 0.00 N ATOM 884 CA ASN A 57 32.600 -2.439 -8.731 1.00 0.00 C ATOM 885 C ASN A 57 33.286 -2.959 -9.990 1.00 0.00 C ATOM 886 O ASN A 57 32.770 -3.847 -10.669 1.00 0.00 O ATOM 887 CB ASN A 57 32.936 -3.344 -7.543 1.00 0.00 C ATOM 888 CG ASN A 57 34.343 -3.118 -7.024 1.00 0.00 C ATOM 889 OD1 ASN A 57 34.902 -2.031 -7.167 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.922 -4.148 -6.418 1.00 0.00 N ATOM 0 H ASN A 57 30.673 -3.260 -8.826 1.00 0.00 H new ATOM 0 HA ASN A 57 32.966 -1.433 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.222 -3.164 -6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.825 -4.387 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.868 -4.056 -6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 57 34.420 -5.031 -6.322 1.00 0.00 H new ATOM 897 N ASP A 58 34.453 -2.401 -10.295 1.00 0.00 N ATOM 898 CA ASP A 58 35.211 -2.809 -11.472 1.00 0.00 C ATOM 899 C ASP A 58 36.403 -3.675 -11.077 1.00 0.00 C ATOM 900 O ASP A 58 37.362 -3.813 -11.838 1.00 0.00 O ATOM 901 CB ASP A 58 35.691 -1.581 -12.247 1.00 0.00 C ATOM 902 CG ASP A 58 34.861 -1.319 -13.489 1.00 0.00 C ATOM 903 OD1 ASP A 58 35.027 -2.060 -14.480 1.00 0.00 O ATOM 904 OD2 ASP A 58 34.046 -0.373 -13.469 1.00 0.00 O ATOM 0 H ASP A 58 34.894 -1.665 -9.743 1.00 0.00 H new ATOM 0 HA ASP A 58 34.553 -3.398 -12.111 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.653 -0.707 -11.597 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.734 -1.720 -12.533 1.00 0.00 H new ATOM 909 N ARG A 59 36.338 -4.254 -9.883 1.00 0.00 N ATOM 910 CA ARG A 59 37.413 -5.104 -9.386 1.00 0.00 C ATOM 911 C ARG A 59 36.852 -6.353 -8.712 1.00 0.00 C ATOM 912 O ARG A 59 37.451 -6.890 -7.782 1.00 0.00 O ATOM 913 CB ARG A 59 38.290 -4.330 -8.400 1.00 0.00 C ATOM 914 CG ARG A 59 39.117 -3.234 -9.051 1.00 0.00 C ATOM 915 CD ARG A 59 40.210 -2.733 -8.119 1.00 0.00 C ATOM 916 NE ARG A 59 41.461 -2.478 -8.830 1.00 0.00 N ATOM 917 CZ ARG A 59 41.596 -1.546 -9.767 1.00 0.00 C ATOM 918 NH1 ARG A 59 40.565 -0.785 -10.104 1.00 0.00 N ATOM 919 NH2 ARG A 59 42.767 -1.374 -10.368 1.00 0.00 N ATOM 0 H ARG A 59 35.552 -4.150 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 59 38.020 -5.413 -10.237 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.655 -3.887 -7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.959 -5.028 -7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.566 -3.612 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.468 -2.405 -9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 59 39.878 -1.817 -7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.383 -3.469 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 59 42.274 -3.046 -8.594 1.00 0.00 H new ATOM 0 HH11 ARG A 59 39.664 -0.914 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 59 40.672 -0.070 -10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 59 43.563 -1.957 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 59 42.871 -0.658 -11.087 1.00 0.00 H new ATOM 933 N MET A 60 35.698 -6.808 -9.189 1.00 0.00 N ATOM 934 CA MET A 60 35.056 -7.994 -8.633 1.00 0.00 C ATOM 935 C MET A 60 35.673 -9.265 -9.207 1.00 0.00 C ATOM 936 O MET A 60 35.977 -9.338 -10.398 1.00 0.00 O ATOM 937 CB MET A 60 33.553 -7.968 -8.919 1.00 0.00 C ATOM 938 CG MET A 60 32.793 -9.118 -8.279 1.00 0.00 C ATOM 939 SD MET A 60 33.209 -9.343 -6.539 1.00 0.00 S ATOM 940 CE MET A 60 32.400 -7.920 -5.812 1.00 0.00 C ATOM 0 H MET A 60 35.188 -6.374 -9.959 1.00 0.00 H new ATOM 0 HA MET A 60 35.213 -7.990 -7.554 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.139 -7.026 -8.560 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.396 -7.995 -9.997 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.722 -8.937 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 60 33.009 -10.038 -8.822 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.270 -8.083 -4.742 1.00 0.00 H new ATOM 0 HE2 MET A 60 33.012 -7.032 -5.972 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.425 -7.778 -6.279 1.00 0.00 H new ATOM 950 N THR A 61 35.856 -10.267 -8.352 1.00 0.00 N ATOM 951 CA THR A 61 36.438 -11.535 -8.774 1.00 0.00 C ATOM 952 C THR A 61 36.245 -12.609 -7.710 1.00 0.00 C ATOM 953 O THR A 61 36.369 -12.343 -6.515 1.00 0.00 O ATOM 954 CB THR A 61 37.942 -11.391 -9.074 1.00 0.00 C ATOM 955 OG1 THR A 61 38.392 -12.495 -9.867 1.00 0.00 O ATOM 956 CG2 THR A 61 38.747 -11.324 -7.785 1.00 0.00 C ATOM 0 H THR A 61 35.609 -10.225 -7.363 1.00 0.00 H new ATOM 0 HA THR A 61 35.920 -11.832 -9.686 1.00 0.00 H new ATOM 0 HB THR A 61 38.092 -10.463 -9.626 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.349 -12.395 -10.055 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.806 -11.222 -8.022 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.423 -10.465 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.590 -12.237 -7.210 1.00 0.00 H new ATOM 964 N TYR A 62 35.940 -13.825 -8.152 1.00 0.00 N ATOM 965 CA TYR A 62 35.729 -14.940 -7.237 1.00 0.00 C ATOM 966 C TYR A 62 36.669 -14.848 -6.040 1.00 0.00 C ATOM 967 O TYR A 62 36.251 -15.015 -4.895 1.00 0.00 O ATOM 968 CB TYR A 62 35.937 -16.270 -7.964 1.00 0.00 C ATOM 969 CG TYR A 62 35.254 -17.440 -7.293 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.927 -17.357 -6.890 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.935 -18.629 -7.063 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.299 -18.423 -6.276 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.315 -19.701 -6.451 1.00 0.00 C ATOM 974 CZ TYR A 62 33.997 -19.593 -6.059 1.00 0.00 C ATOM 975 OH TYR A 62 33.374 -20.658 -5.450 1.00 0.00 O ATOM 0 H TYR A 62 35.834 -14.063 -9.138 1.00 0.00 H new ATOM 0 HA TYR A 62 34.703 -14.890 -6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.564 -16.179 -8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.006 -16.474 -8.032 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.377 -16.443 -7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.967 -18.717 -7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.267 -18.341 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.859 -20.618 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 62 33.456 -20.572 -4.477 1.00 0.00 H new ATOM 985 N GLU A 63 37.942 -14.582 -6.315 1.00 0.00 N ATOM 986 CA GLU A 63 38.943 -14.468 -5.260 1.00 0.00 C ATOM 987 C GLU A 63 38.448 -13.564 -4.135 1.00 0.00 C ATOM 988 O GLU A 63 38.566 -13.899 -2.957 1.00 0.00 O ATOM 989 CB GLU A 63 40.255 -13.922 -5.829 1.00 0.00 C ATOM 990 CG GLU A 63 41.491 -14.446 -5.116 1.00 0.00 C ATOM 991 CD GLU A 63 42.739 -13.654 -5.456 1.00 0.00 C ATOM 992 OE1 GLU A 63 43.096 -13.592 -6.651 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.359 -13.096 -4.526 1.00 0.00 O ATOM 0 H GLU A 63 38.304 -14.442 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 63 39.118 -15.463 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.318 -14.180 -6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.244 -12.834 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.326 -14.413 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.644 -15.492 -5.383 1.00 0.00 H new ATOM 1000 N LYS A 64 37.894 -12.415 -4.508 1.00 0.00 N ATOM 1001 CA LYS A 64 37.380 -11.461 -3.533 1.00 0.00 C ATOM 1002 C LYS A 64 35.970 -11.840 -3.093 1.00 0.00 C ATOM 1003 O LYS A 64 35.656 -11.830 -1.902 1.00 0.00 O ATOM 1004 CB LYS A 64 37.380 -10.048 -4.122 1.00 0.00 C ATOM 1005 CG LYS A 64 38.705 -9.652 -4.751 1.00 0.00 C ATOM 1006 CD LYS A 64 38.526 -8.539 -5.771 1.00 0.00 C ATOM 1007 CE LYS A 64 39.771 -8.363 -6.626 1.00 0.00 C ATOM 1008 NZ LYS A 64 39.450 -8.361 -8.080 1.00 0.00 N ATOM 0 H LYS A 64 37.790 -12.122 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 64 38.033 -11.484 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.594 -9.977 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 64 37.133 -9.335 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.396 -9.327 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.154 -10.520 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.673 -8.764 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.301 -7.605 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.264 -7.427 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.476 -9.166 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 39.963 -7.587 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 39.736 -9.269 -8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 38.427 -8.226 -8.209 1.00 0.00 H new ATOM 1022 N LEU A 65 35.123 -12.173 -4.060 1.00 0.00 N ATOM 1023 CA LEU A 65 33.745 -12.557 -3.772 1.00 0.00 C ATOM 1024 C LEU A 65 33.691 -13.597 -2.657 1.00 0.00 C ATOM 1025 O LEU A 65 32.867 -13.504 -1.748 1.00 0.00 O ATOM 1026 CB LEU A 65 33.075 -13.108 -5.032 1.00 0.00 C ATOM 1027 CG LEU A 65 31.608 -13.516 -4.888 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.811 -13.081 -6.108 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.490 -15.019 -4.679 1.00 0.00 C ATOM 0 H LEU A 65 35.366 -12.185 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 65 33.208 -11.668 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 65 33.147 -12.355 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.641 -13.976 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 65 31.196 -13.015 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.770 -13.380 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.868 -11.998 -6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.223 -13.554 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.439 -15.291 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 65 31.920 -15.540 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.027 -15.304 -3.774 1.00 0.00 H new ATOM 1041 N SER A 66 34.576 -14.585 -2.734 1.00 0.00 N ATOM 1042 CA SER A 66 34.629 -15.643 -1.732 1.00 0.00 C ATOM 1043 C SER A 66 34.695 -15.057 -0.325 1.00 0.00 C ATOM 1044 O SER A 66 34.153 -15.625 0.623 1.00 0.00 O ATOM 1045 CB SER A 66 35.838 -16.548 -1.977 1.00 0.00 C ATOM 1046 OG SER A 66 37.026 -15.957 -1.479 1.00 0.00 O ATOM 0 H SER A 66 35.266 -14.675 -3.480 1.00 0.00 H new ATOM 0 HA SER A 66 33.718 -16.235 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 66 35.678 -17.512 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.943 -16.739 -3.045 1.00 0.00 H new ATOM 0 HG SER A 66 37.366 -15.308 -2.129 1.00 0.00 H new ATOM 1052 N ARG A 67 35.364 -13.915 -0.198 1.00 0.00 N ATOM 1053 CA ARG A 67 35.504 -13.251 1.093 1.00 0.00 C ATOM 1054 C ARG A 67 34.186 -13.276 1.862 1.00 0.00 C ATOM 1055 O ARG A 67 34.161 -13.561 3.059 1.00 0.00 O ATOM 1056 CB ARG A 67 35.966 -11.806 0.899 1.00 0.00 C ATOM 1057 CG ARG A 67 34.828 -10.833 0.633 1.00 0.00 C ATOM 1058 CD ARG A 67 35.349 -9.441 0.314 1.00 0.00 C ATOM 1059 NE ARG A 67 34.563 -8.399 0.970 1.00 0.00 N ATOM 1060 CZ ARG A 67 34.440 -8.292 2.288 1.00 0.00 C ATOM 1061 NH1 ARG A 67 35.048 -9.158 3.087 1.00 0.00 N ATOM 1062 NH2 ARG A 67 33.707 -7.316 2.810 1.00 0.00 N ATOM 0 H ARG A 67 35.817 -13.431 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 67 36.253 -13.790 1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.508 -11.484 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.668 -11.767 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.224 -11.196 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.175 -10.788 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.390 -9.362 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 67 35.330 -9.285 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 67 34.082 -7.716 0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 67 35.612 -9.909 2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 67 34.952 -9.073 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 67 33.238 -6.648 2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 67 33.613 -7.234 3.822 1.00 0.00 H new ATOM 1076 N ALA A 68 33.095 -12.976 1.166 1.00 0.00 N ATOM 1077 CA ALA A 68 31.774 -12.966 1.784 1.00 0.00 C ATOM 1078 C ALA A 68 31.296 -14.383 2.081 1.00 0.00 C ATOM 1079 O ALA A 68 30.604 -14.621 3.072 1.00 0.00 O ATOM 1080 CB ALA A 68 30.777 -12.248 0.885 1.00 0.00 C ATOM 0 H ALA A 68 33.099 -12.737 0.174 1.00 0.00 H new ATOM 0 HA ALA A 68 31.846 -12.430 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.795 -12.248 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.104 -11.220 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.717 -12.761 -0.075 1.00 0.00 H new ATOM 1086 N LEU A 69 31.668 -15.321 1.217 1.00 0.00 N ATOM 1087 CA LEU A 69 31.277 -16.716 1.387 1.00 0.00 C ATOM 1088 C LEU A 69 31.943 -17.323 2.618 1.00 0.00 C ATOM 1089 O LEU A 69 31.315 -18.066 3.373 1.00 0.00 O ATOM 1090 CB LEU A 69 31.646 -17.525 0.143 1.00 0.00 C ATOM 1091 CG LEU A 69 31.133 -16.979 -1.190 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.631 -17.834 -2.345 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.613 -16.913 -1.189 1.00 0.00 C ATOM 0 H LEU A 69 32.240 -15.141 0.392 1.00 0.00 H new ATOM 0 HA LEU A 69 30.197 -16.750 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.732 -17.596 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.266 -18.539 0.268 1.00 0.00 H new ATOM 0 HG LEU A 69 31.521 -15.969 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.256 -17.430 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.721 -17.829 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.274 -18.856 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.265 -16.522 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.206 -17.912 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.278 -16.257 -0.385 1.00 0.00 H new ATOM 1105 N ARG A 70 33.216 -16.999 2.816 1.00 0.00 N ATOM 1106 CA ARG A 70 33.967 -17.511 3.956 1.00 0.00 C ATOM 1107 C ARG A 70 33.705 -16.670 5.202 1.00 0.00 C ATOM 1108 O ARG A 70 33.974 -17.102 6.323 1.00 0.00 O ATOM 1109 CB ARG A 70 35.464 -17.526 3.643 1.00 0.00 C ATOM 1110 CG ARG A 70 35.820 -18.334 2.405 1.00 0.00 C ATOM 1111 CD ARG A 70 36.241 -19.749 2.766 1.00 0.00 C ATOM 1112 NE ARG A 70 37.684 -19.856 2.968 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.308 -21.002 3.217 1.00 0.00 C ATOM 1114 NH1 ARG A 70 37.620 -22.133 3.294 1.00 0.00 N ATOM 1115 NH2 ARG A 70 39.624 -21.018 3.390 1.00 0.00 N ATOM 0 H ARG A 70 33.750 -16.384 2.202 1.00 0.00 H new ATOM 0 HA ARG A 70 33.633 -18.530 4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.809 -16.501 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 70 36.001 -17.933 4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.963 -18.369 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.628 -17.839 1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 70 35.724 -20.061 3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.934 -20.432 1.974 1.00 0.00 H new ATOM 0 HE ARG A 70 38.243 -19.004 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 70 36.609 -22.125 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 70 38.102 -23.011 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.157 -20.150 3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.103 -21.898 3.581 1.00 0.00 H new ATOM 1129 N TYR A 71 33.180 -15.467 4.997 1.00 0.00 N ATOM 1130 CA TYR A 71 32.885 -14.563 6.102 1.00 0.00 C ATOM 1131 C TYR A 71 31.477 -14.802 6.640 1.00 0.00 C ATOM 1132 O TYR A 71 31.147 -14.391 7.753 1.00 0.00 O ATOM 1133 CB TYR A 71 33.031 -13.108 5.653 1.00 0.00 C ATOM 1134 CG TYR A 71 32.648 -12.105 6.717 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.315 -11.820 6.983 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.620 -11.440 7.455 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.960 -10.903 7.954 1.00 0.00 C ATOM 1138 CE2 TYR A 71 33.274 -10.523 8.428 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.943 -10.258 8.674 1.00 0.00 C ATOM 1140 OH TYR A 71 31.595 -9.343 9.642 1.00 0.00 O ATOM 0 H TYR A 71 32.950 -15.095 4.075 1.00 0.00 H new ATOM 0 HA TYR A 71 33.599 -14.762 6.901 1.00 0.00 H new ATOM 0 HB2 TYR A 71 34.064 -12.931 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.411 -12.945 4.771 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.542 -12.324 6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.663 -11.644 7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.919 -10.693 8.148 1.00 0.00 H new ATOM 0 HE2 TYR A 71 34.042 -10.016 8.993 1.00 0.00 H new ATOM 0 HH TYR A 71 32.406 -8.981 10.056 1.00 0.00 H new ATOM 1150 N TYR A 72 30.652 -15.470 5.842 1.00 0.00 N ATOM 1151 CA TYR A 72 29.279 -15.763 6.235 1.00 0.00 C ATOM 1152 C TYR A 72 29.228 -16.943 7.199 1.00 0.00 C ATOM 1153 O TYR A 72 28.216 -17.178 7.859 1.00 0.00 O ATOM 1154 CB TYR A 72 28.426 -16.061 5.001 1.00 0.00 C ATOM 1155 CG TYR A 72 27.891 -14.821 4.320 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.238 -13.833 5.047 1.00 0.00 C ATOM 1157 CD2 TYR A 72 28.036 -14.639 2.951 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.747 -12.699 4.430 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.550 -13.507 2.325 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.906 -12.540 3.069 1.00 0.00 C ATOM 1161 OH TYR A 72 26.419 -11.413 2.449 1.00 0.00 O ATOM 0 H TYR A 72 30.910 -15.819 4.919 1.00 0.00 H new ATOM 0 HA TYR A 72 28.878 -14.885 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 72 29.022 -16.629 4.287 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.589 -16.695 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.112 -13.954 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.537 -15.395 2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.241 -11.941 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.674 -13.380 1.260 1.00 0.00 H new ATOM 0 HH TYR A 72 27.121 -11.018 1.891 1.00 0.00 H new ATOM 1171 N TYR A 73 30.329 -17.683 7.277 1.00 0.00 N ATOM 1172 CA TYR A 73 30.411 -18.841 8.159 1.00 0.00 C ATOM 1173 C TYR A 73 30.445 -18.410 9.622 1.00 0.00 C ATOM 1174 O TYR A 73 30.465 -19.244 10.527 1.00 0.00 O ATOM 1175 CB TYR A 73 31.654 -19.671 7.831 1.00 0.00 C ATOM 1176 CG TYR A 73 31.665 -20.213 6.420 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.501 -20.690 5.829 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.839 -20.250 5.678 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.507 -21.188 4.540 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.853 -20.745 4.388 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.685 -21.212 3.824 1.00 0.00 C ATOM 1182 OH TYR A 73 31.695 -21.707 2.540 1.00 0.00 O ATOM 0 H TYR A 73 31.177 -17.501 6.740 1.00 0.00 H new ATOM 0 HA TYR A 73 29.522 -19.451 7.999 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.541 -19.056 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.720 -20.503 8.532 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.576 -20.671 6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.756 -19.886 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.594 -21.556 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.774 -20.766 3.825 1.00 0.00 H new ATOM 0 HH TYR A 73 32.603 -21.652 2.175 1.00 0.00 H new ATOM 1192 N LYS A 74 30.451 -17.100 9.846 1.00 0.00 N ATOM 1193 CA LYS A 74 30.480 -16.555 11.198 1.00 0.00 C ATOM 1194 C LYS A 74 29.080 -16.155 11.653 1.00 0.00 C ATOM 1195 O LYS A 74 28.728 -16.311 12.823 1.00 0.00 O ATOM 1196 CB LYS A 74 31.413 -15.344 11.261 1.00 0.00 C ATOM 1197 CG LYS A 74 32.729 -15.551 10.530 1.00 0.00 C ATOM 1198 CD LYS A 74 33.870 -14.820 11.218 1.00 0.00 C ATOM 1199 CE LYS A 74 35.223 -15.340 10.757 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.471 -16.732 11.225 1.00 0.00 N ATOM 0 H LYS A 74 30.436 -16.396 9.108 1.00 0.00 H new ATOM 0 HA LYS A 74 30.854 -17.330 11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.903 -14.480 10.835 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.620 -15.109 12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.955 -16.616 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.636 -15.197 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.799 -13.753 11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.782 -14.940 12.298 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.272 -15.309 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 74 36.010 -14.685 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.491 -16.931 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 35.124 -16.837 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 34.971 -17.401 10.605 1.00 0.00 H new ATOM 1214 N THR A 75 28.284 -15.640 10.722 1.00 0.00 N ATOM 1215 CA THR A 75 26.923 -15.218 11.028 1.00 0.00 C ATOM 1216 C THR A 75 25.935 -16.361 10.827 1.00 0.00 C ATOM 1217 O THR A 75 24.824 -16.335 11.355 1.00 0.00 O ATOM 1218 CB THR A 75 26.494 -14.025 10.153 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.272 -14.459 8.807 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.553 -12.933 10.171 1.00 0.00 C ATOM 0 H THR A 75 28.559 -15.505 9.749 1.00 0.00 H new ATOM 0 HA THR A 75 26.915 -14.913 12.074 1.00 0.00 H new ATOM 0 HB THR A 75 25.568 -13.619 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.314 -13.688 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.228 -12.101 9.546 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.698 -12.584 11.193 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.492 -13.331 9.786 1.00 0.00 H new ATOM 1228 N GLY A 76 26.347 -17.366 10.059 1.00 0.00 N ATOM 1229 CA GLY A 76 25.486 -18.505 9.802 1.00 0.00 C ATOM 1230 C GLY A 76 24.853 -18.456 8.425 1.00 0.00 C ATOM 1231 O GLY A 76 24.327 -19.458 7.941 1.00 0.00 O ATOM 0 H GLY A 76 27.262 -17.411 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.065 -19.423 9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.701 -18.541 10.558 1.00 0.00 H new ATOM 1235 N ILE A 77 24.904 -17.288 7.795 1.00 0.00 N ATOM 1236 CA ILE A 77 24.331 -17.112 6.466 1.00 0.00 C ATOM 1237 C ILE A 77 24.729 -18.257 5.540 1.00 0.00 C ATOM 1238 O ILE A 77 23.901 -18.786 4.797 1.00 0.00 O ATOM 1239 CB ILE A 77 24.772 -15.779 5.834 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.173 -14.601 6.605 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.361 -15.724 4.370 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.797 -14.199 6.122 1.00 0.00 C ATOM 0 H ILE A 77 25.336 -16.449 8.183 1.00 0.00 H new ATOM 0 HA ILE A 77 23.248 -17.106 6.588 1.00 0.00 H new ATOM 0 HB ILE A 77 25.858 -15.711 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.117 -14.860 7.662 1.00 0.00 H new ATOM 0 HG13 ILE A 77 24.843 -13.745 6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.680 -14.776 3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.831 -16.545 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.277 -15.812 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.435 -13.358 6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 77 22.850 -13.908 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.113 -15.041 6.231 1.00 0.00 H new ATOM 1254 N LEU A 78 26.002 -18.636 5.591 1.00 0.00 N ATOM 1255 CA LEU A 78 26.511 -19.720 4.758 1.00 0.00 C ATOM 1256 C LEU A 78 26.997 -20.883 5.616 1.00 0.00 C ATOM 1257 O LEU A 78 27.229 -20.728 6.814 1.00 0.00 O ATOM 1258 CB LEU A 78 27.649 -19.215 3.870 1.00 0.00 C ATOM 1259 CG LEU A 78 27.247 -18.716 2.481 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.479 -18.468 1.625 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.317 -19.713 1.805 1.00 0.00 C ATOM 0 H LEU A 78 26.700 -18.209 6.200 1.00 0.00 H new ATOM 0 HA LEU A 78 25.696 -20.074 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.158 -18.405 4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.373 -20.021 3.749 1.00 0.00 H new ATOM 0 HG LEU A 78 26.714 -17.772 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.173 -18.114 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 78 29.108 -17.716 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.040 -19.396 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.041 -19.342 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 78 26.824 -20.672 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.419 -19.840 2.409 1.00 0.00 H new ATOM 1273 N GLU A 79 27.150 -22.048 4.993 1.00 0.00 N ATOM 1274 CA GLU A 79 27.611 -23.237 5.700 1.00 0.00 C ATOM 1275 C GLU A 79 28.890 -23.782 5.072 1.00 0.00 C ATOM 1276 O GLU A 79 28.934 -24.067 3.875 1.00 0.00 O ATOM 1277 CB GLU A 79 26.525 -24.315 5.692 1.00 0.00 C ATOM 1278 CG GLU A 79 25.699 -24.357 6.966 1.00 0.00 C ATOM 1279 CD GLU A 79 25.798 -25.690 7.682 1.00 0.00 C ATOM 1280 OE1 GLU A 79 26.930 -26.111 7.998 1.00 0.00 O ATOM 1281 OE2 GLU A 79 24.743 -26.312 7.926 1.00 0.00 O ATOM 0 H GLU A 79 26.962 -22.193 4.001 1.00 0.00 H new ATOM 0 HA GLU A 79 27.825 -22.955 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.861 -24.144 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 79 26.992 -25.288 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 79 26.031 -23.564 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.655 -24.155 6.725 1.00 0.00 H new ATOM 1288 N ARG A 80 29.929 -23.924 5.888 1.00 0.00 N ATOM 1289 CA ARG A 80 31.210 -24.434 5.413 1.00 0.00 C ATOM 1290 C ARG A 80 31.058 -25.842 4.846 1.00 0.00 C ATOM 1291 O ARG A 80 30.410 -26.699 5.448 1.00 0.00 O ATOM 1292 CB ARG A 80 32.235 -24.437 6.549 1.00 0.00 C ATOM 1293 CG ARG A 80 33.612 -23.950 6.128 1.00 0.00 C ATOM 1294 CD ARG A 80 34.261 -23.109 7.216 1.00 0.00 C ATOM 1295 NE ARG A 80 35.718 -23.203 7.184 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.518 -22.485 7.964 1.00 0.00 C ATOM 1297 NH1 ARG A 80 36.005 -21.625 8.833 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.835 -22.627 7.877 1.00 0.00 N ATOM 0 H ARG A 80 29.909 -23.693 6.881 1.00 0.00 H new ATOM 0 HA ARG A 80 31.562 -23.777 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 80 31.868 -23.807 7.360 1.00 0.00 H new ATOM 0 HB3 ARG A 80 32.322 -25.448 6.946 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.248 -24.805 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.528 -23.362 5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 80 33.962 -22.068 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 80 33.898 -23.435 8.191 1.00 0.00 H new ATOM 0 HE ARG A 80 36.145 -23.856 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.994 -21.514 8.904 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.622 -21.075 9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 80 38.234 -23.288 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 80 38.448 -22.075 8.477 1.00 0.00 H new ATOM 1312 N VAL A 81 31.659 -26.075 3.684 1.00 0.00 N ATOM 1313 CA VAL A 81 31.592 -27.379 3.036 1.00 0.00 C ATOM 1314 C VAL A 81 32.983 -27.884 2.670 1.00 0.00 C ATOM 1315 O VAL A 81 33.876 -27.098 2.351 1.00 0.00 O ATOM 1316 CB VAL A 81 30.725 -27.329 1.763 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.707 -28.686 1.076 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.313 -26.873 2.099 1.00 0.00 C ATOM 0 H VAL A 81 32.198 -25.377 3.172 1.00 0.00 H new ATOM 0 HA VAL A 81 31.137 -28.064 3.751 1.00 0.00 H new ATOM 0 HB VAL A 81 31.162 -26.606 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.090 -28.632 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.723 -28.968 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.295 -29.432 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.714 -26.843 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.864 -27.570 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.348 -25.878 2.543 1.00 0.00 H new ATOM 1328 N ASP A 82 33.161 -29.200 2.718 1.00 0.00 N ATOM 1329 CA ASP A 82 34.444 -29.810 2.390 1.00 0.00 C ATOM 1330 C ASP A 82 34.466 -30.283 0.939 1.00 0.00 C ATOM 1331 O ASP A 82 34.972 -31.363 0.636 1.00 0.00 O ATOM 1332 CB ASP A 82 34.727 -30.986 3.326 1.00 0.00 C ATOM 1333 CG ASP A 82 34.984 -30.541 4.753 1.00 0.00 C ATOM 1334 OD1 ASP A 82 35.588 -29.465 4.938 1.00 0.00 O ATOM 1335 OD2 ASP A 82 34.582 -31.271 5.684 1.00 0.00 O ATOM 0 H ASP A 82 32.433 -29.864 2.981 1.00 0.00 H new ATOM 0 HA ASP A 82 35.221 -29.056 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.880 -31.672 3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.592 -31.539 2.959 1.00 0.00 H new ATOM 1340 N ARG A 83 33.914 -29.466 0.048 1.00 0.00 N ATOM 1341 CA ARG A 83 33.868 -29.801 -1.370 1.00 0.00 C ATOM 1342 C ARG A 83 34.511 -28.701 -2.210 1.00 0.00 C ATOM 1343 O ARG A 83 34.943 -27.676 -1.682 1.00 0.00 O ATOM 1344 CB ARG A 83 32.421 -30.019 -1.818 1.00 0.00 C ATOM 1345 CG ARG A 83 31.988 -31.476 -1.790 1.00 0.00 C ATOM 1346 CD ARG A 83 30.618 -31.637 -1.152 1.00 0.00 C ATOM 1347 NE ARG A 83 30.704 -32.189 0.197 1.00 0.00 N ATOM 1348 CZ ARG A 83 29.656 -32.647 0.873 1.00 0.00 C ATOM 1349 NH1 ARG A 83 28.447 -32.618 0.327 1.00 0.00 N ATOM 1350 NH2 ARG A 83 29.815 -33.134 2.097 1.00 0.00 N ATOM 0 H ARG A 83 33.492 -28.567 0.283 1.00 0.00 H new ATOM 0 HA ARG A 83 34.430 -30.723 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.759 -29.440 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.301 -29.632 -2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 83 31.966 -31.870 -2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.720 -32.064 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.119 -30.669 -1.116 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.004 -32.290 -1.772 1.00 0.00 H new ATOM 0 HE ARG A 83 31.620 -32.225 0.645 1.00 0.00 H new ATOM 0 HH11 ARG A 83 28.321 -32.244 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 83 27.644 -32.970 0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 83 30.743 -33.157 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.009 -33.485 2.615 1.00 0.00 H new ATOM 1364 N ARG A 84 34.573 -28.923 -3.518 1.00 0.00 N ATOM 1365 CA ARG A 84 35.166 -27.952 -4.431 1.00 0.00 C ATOM 1366 C ARG A 84 34.085 -27.137 -5.134 1.00 0.00 C ATOM 1367 O ARG A 84 33.280 -27.677 -5.895 1.00 0.00 O ATOM 1368 CB ARG A 84 36.040 -28.661 -5.467 1.00 0.00 C ATOM 1369 CG ARG A 84 36.879 -27.713 -6.307 1.00 0.00 C ATOM 1370 CD ARG A 84 37.788 -26.855 -5.440 1.00 0.00 C ATOM 1371 NE ARG A 84 38.786 -26.142 -6.232 1.00 0.00 N ATOM 1372 CZ ARG A 84 39.759 -25.411 -5.701 1.00 0.00 C ATOM 1373 NH1 ARG A 84 39.865 -25.296 -4.385 1.00 0.00 N ATOM 1374 NH2 ARG A 84 40.630 -24.792 -6.488 1.00 0.00 N ATOM 0 H ARG A 84 34.220 -29.766 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 84 35.787 -27.273 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.701 -29.361 -4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.402 -29.249 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 84 37.482 -28.286 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 84 36.224 -27.071 -6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 84 37.186 -26.137 -4.884 1.00 0.00 H new ATOM 0 HD3 ARG A 84 38.290 -27.486 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 84 38.733 -26.209 -7.248 1.00 0.00 H new ATOM 0 HH11 ARG A 84 39.198 -25.770 -3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 84 40.614 -24.734 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 84 40.552 -24.878 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 84 41.377 -24.231 -6.079 1.00 0.00 H new ATOM 1388 N LEU A 85 34.071 -25.834 -4.875 1.00 0.00 N ATOM 1389 CA LEU A 85 33.088 -24.943 -5.482 1.00 0.00 C ATOM 1390 C LEU A 85 31.670 -25.363 -5.111 1.00 0.00 C ATOM 1391 O LEU A 85 30.736 -25.195 -5.895 1.00 0.00 O ATOM 1392 CB LEU A 85 33.249 -24.937 -7.004 1.00 0.00 C ATOM 1393 CG LEU A 85 34.121 -23.822 -7.582 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.422 -23.705 -6.804 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.401 -24.075 -9.056 1.00 0.00 C ATOM 0 H LEU A 85 34.729 -25.371 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 85 33.260 -23.937 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.670 -25.895 -7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.259 -24.867 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 85 33.581 -22.880 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.030 -22.907 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.203 -23.478 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.967 -24.647 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.023 -23.272 -9.451 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.921 -25.026 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.460 -24.109 -9.605 1.00 0.00 H new ATOM 1407 N VAL A 86 31.515 -25.908 -3.909 1.00 0.00 N ATOM 1408 CA VAL A 86 30.210 -26.349 -3.431 1.00 0.00 C ATOM 1409 C VAL A 86 29.867 -25.702 -2.094 1.00 0.00 C ATOM 1410 O VAL A 86 30.421 -26.065 -1.056 1.00 0.00 O ATOM 1411 CB VAL A 86 30.156 -27.881 -3.277 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.806 -28.315 -2.728 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.444 -28.560 -4.607 1.00 0.00 C ATOM 0 H VAL A 86 32.278 -26.055 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 86 29.479 -26.041 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 86 30.925 -28.185 -2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.786 -29.400 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.645 -27.856 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 28.017 -28.001 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.402 -29.642 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.700 -28.252 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.437 -28.274 -4.954 1.00 0.00 H new ATOM 1423 N TYR A 87 28.949 -24.743 -2.126 1.00 0.00 N ATOM 1424 CA TYR A 87 28.532 -24.043 -0.916 1.00 0.00 C ATOM 1425 C TYR A 87 27.116 -24.443 -0.516 1.00 0.00 C ATOM 1426 O TYR A 87 26.418 -25.132 -1.260 1.00 0.00 O ATOM 1427 CB TYR A 87 28.607 -22.530 -1.125 1.00 0.00 C ATOM 1428 CG TYR A 87 29.987 -22.038 -1.501 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.535 -22.330 -2.744 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.741 -21.281 -0.614 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.795 -21.883 -3.092 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.002 -20.828 -0.953 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.524 -21.133 -2.193 1.00 0.00 C ATOM 1434 OH TYR A 87 33.780 -20.685 -2.536 1.00 0.00 O ATOM 0 H TYR A 87 28.479 -24.432 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 87 29.211 -24.326 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.903 -22.244 -1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.288 -22.029 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.966 -22.917 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.335 -21.042 0.358 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.207 -22.119 -4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.575 -20.239 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 87 34.158 -20.171 -1.792 1.00 0.00 H new ATOM 1444 N LYS A 88 26.696 -24.004 0.666 1.00 0.00 N ATOM 1445 CA LYS A 88 25.362 -24.313 1.168 1.00 0.00 C ATOM 1446 C LYS A 88 24.867 -23.219 2.108 1.00 0.00 C ATOM 1447 O LYS A 88 25.556 -22.842 3.056 1.00 0.00 O ATOM 1448 CB LYS A 88 25.367 -25.660 1.894 1.00 0.00 C ATOM 1449 CG LYS A 88 24.069 -25.963 2.623 1.00 0.00 C ATOM 1450 CD LYS A 88 24.317 -26.740 3.905 1.00 0.00 C ATOM 1451 CE LYS A 88 23.101 -27.561 4.304 1.00 0.00 C ATOM 1452 NZ LYS A 88 23.101 -27.882 5.758 1.00 0.00 N ATOM 0 H LYS A 88 27.261 -23.433 1.295 1.00 0.00 H new ATOM 0 HA LYS A 88 24.685 -24.369 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.561 -26.452 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.188 -25.674 2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.555 -25.030 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.410 -26.536 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.175 -27.399 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.569 -26.048 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.194 -27.011 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 88 23.083 -28.486 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.140 -27.766 6.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.412 -28.865 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 23.751 -27.240 6.255 1.00 0.00 H new ATOM 1466 N PHE A 89 23.668 -22.712 1.839 1.00 0.00 N ATOM 1467 CA PHE A 89 23.081 -21.661 2.662 1.00 0.00 C ATOM 1468 C PHE A 89 22.721 -22.191 4.047 1.00 0.00 C ATOM 1469 O PHE A 89 22.124 -23.258 4.179 1.00 0.00 O ATOM 1470 CB PHE A 89 21.835 -21.089 1.983 1.00 0.00 C ATOM 1471 CG PHE A 89 22.096 -20.550 0.605 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.698 -19.314 0.433 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.742 -21.281 -0.517 1.00 0.00 C ATOM 1474 CE1 PHE A 89 22.939 -18.816 -0.833 1.00 0.00 C ATOM 1475 CE2 PHE A 89 21.981 -20.788 -1.786 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.581 -19.554 -1.944 1.00 0.00 C ATOM 0 H PHE A 89 23.084 -23.012 1.058 1.00 0.00 H new ATOM 0 HA PHE A 89 23.821 -20.869 2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.075 -21.868 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.426 -20.292 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.982 -18.733 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.274 -22.247 -0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.407 -17.850 -0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 89 21.699 -21.367 -2.653 1.00 0.00 H new ATOM 0 HZ PHE A 89 22.770 -19.167 -2.934 1.00 0.00 H new ATOM 1486 N GLY A 90 23.091 -21.436 5.077 1.00 0.00 N ATOM 1487 CA GLY A 90 22.800 -21.845 6.439 1.00 0.00 C ATOM 1488 C GLY A 90 21.355 -21.595 6.824 1.00 0.00 C ATOM 1489 O GLY A 90 20.474 -21.553 5.965 1.00 0.00 O ATOM 0 H GLY A 90 23.587 -20.549 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.025 -22.906 6.552 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.454 -21.306 7.124 1.00 0.00 H new ATOM 1493 N LYS A 91 21.110 -21.429 8.119 1.00 0.00 N ATOM 1494 CA LYS A 91 19.762 -21.181 8.617 1.00 0.00 C ATOM 1495 C LYS A 91 19.463 -19.686 8.658 1.00 0.00 C ATOM 1496 O LYS A 91 18.304 -19.276 8.668 1.00 0.00 O ATOM 1497 CB LYS A 91 19.594 -21.785 10.013 1.00 0.00 C ATOM 1498 CG LYS A 91 20.397 -21.070 11.086 1.00 0.00 C ATOM 1499 CD LYS A 91 21.356 -22.017 11.788 1.00 0.00 C ATOM 1500 CE LYS A 91 20.629 -22.910 12.782 1.00 0.00 C ATOM 1501 NZ LYS A 91 20.875 -24.354 12.514 1.00 0.00 N ATOM 0 H LYS A 91 21.828 -21.462 8.843 1.00 0.00 H new ATOM 0 HA LYS A 91 19.056 -21.655 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.539 -21.762 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.893 -22.833 9.985 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.957 -20.250 10.637 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.719 -20.630 11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 91 21.866 -22.634 11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.123 -21.442 12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.955 -22.668 13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.559 -22.709 12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.362 -24.929 13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.541 -24.592 11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.894 -24.551 12.584 1.00 0.00 H new ATOM 1515 N ASN A 92 20.517 -18.877 8.681 1.00 0.00 N ATOM 1516 CA ASN A 92 20.367 -17.427 8.720 1.00 0.00 C ATOM 1517 C ASN A 92 19.714 -16.913 7.441 1.00 0.00 C ATOM 1518 O ASN A 92 18.956 -15.944 7.465 1.00 0.00 O ATOM 1519 CB ASN A 92 21.729 -16.757 8.916 1.00 0.00 C ATOM 1520 CG ASN A 92 21.919 -16.234 10.327 1.00 0.00 C ATOM 1521 OD1 ASN A 92 21.795 -15.035 10.578 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.220 -17.134 11.256 1.00 0.00 N ATOM 0 H ASN A 92 21.484 -19.201 8.673 1.00 0.00 H new ATOM 0 HA ASN A 92 19.722 -17.176 9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.519 -17.472 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.831 -15.933 8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.358 -16.842 12.223 1.00 0.00 H new ATOM 0 HD22 ASN A 92 22.313 -18.118 11.002 1.00 0.00 H new ATOM 1529 N ALA A 93 20.014 -17.569 6.325 1.00 0.00 N ATOM 1530 CA ALA A 93 19.454 -17.181 5.036 1.00 0.00 C ATOM 1531 C ALA A 93 17.968 -17.514 4.960 1.00 0.00 C ATOM 1532 O ALA A 93 17.475 -18.369 5.697 1.00 0.00 O ATOM 1533 CB ALA A 93 20.209 -17.865 3.906 1.00 0.00 C ATOM 0 H ALA A 93 20.642 -18.372 6.287 1.00 0.00 H new ATOM 0 HA ALA A 93 19.563 -16.102 4.930 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.781 -17.567 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.259 -17.573 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.130 -18.946 4.018 1.00 0.00 H new ATOM 1539 N HIS A 94 17.259 -16.833 4.065 1.00 0.00 N ATOM 1540 CA HIS A 94 15.828 -17.058 3.893 1.00 0.00 C ATOM 1541 C HIS A 94 15.443 -17.004 2.418 1.00 0.00 C ATOM 1542 O HIS A 94 16.259 -16.656 1.566 1.00 0.00 O ATOM 1543 CB HIS A 94 15.029 -16.017 4.679 1.00 0.00 C ATOM 1544 CG HIS A 94 15.287 -14.608 4.241 1.00 0.00 C ATOM 1545 ND1 HIS A 94 15.362 -13.549 5.121 1.00 0.00 N ATOM 1546 CD2 HIS A 94 15.490 -14.087 3.009 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.598 -12.437 4.448 1.00 0.00 C ATOM 1548 NE2 HIS A 94 15.680 -12.736 3.164 1.00 0.00 N ATOM 0 H HIS A 94 17.652 -16.122 3.448 1.00 0.00 H new ATOM 0 HA HIS A 94 15.593 -18.051 4.276 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.966 -16.232 4.574 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.270 -16.110 5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.501 -14.632 2.077 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.706 -11.451 4.875 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.856 -12.072 2.410 1.00 0.00 H new ATOM 1556 N GLY A 95 14.194 -17.352 2.124 1.00 0.00 N ATOM 1557 CA GLY A 95 13.723 -17.337 0.751 1.00 0.00 C ATOM 1558 C GLY A 95 13.825 -18.696 0.089 1.00 0.00 C ATOM 1559 O GLY A 95 12.845 -19.204 -0.456 1.00 0.00 O ATOM 0 H GLY A 95 13.500 -17.644 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.686 -17.003 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.303 -16.613 0.179 1.00 0.00 H new ATOM 1563 N TRP A 96 15.014 -19.287 0.134 1.00 0.00 N ATOM 1564 CA TRP A 96 15.240 -20.596 -0.469 1.00 0.00 C ATOM 1565 C TRP A 96 14.580 -21.696 0.355 1.00 0.00 C ATOM 1566 O TRP A 96 14.007 -22.635 -0.196 1.00 0.00 O ATOM 1567 CB TRP A 96 16.740 -20.868 -0.597 1.00 0.00 C ATOM 1568 CG TRP A 96 17.386 -21.256 0.699 1.00 0.00 C ATOM 1569 CD1 TRP A 96 17.975 -20.420 1.603 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.509 -22.579 1.232 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.458 -21.143 2.667 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.183 -22.470 2.464 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.114 -23.845 0.791 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.470 -23.579 3.256 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.400 -24.944 1.578 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.072 -24.806 2.799 1.00 0.00 C ATOM 0 H TRP A 96 15.836 -18.881 0.581 1.00 0.00 H new ATOM 0 HA TRP A 96 14.792 -20.594 -1.463 1.00 0.00 H new ATOM 0 HB2 TRP A 96 16.897 -21.664 -1.325 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.232 -19.977 -0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.050 -19.348 1.498 1.00 0.00 H new ATOM 0 HE1 TRP A 96 18.942 -20.755 3.476 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.594 -23.962 -0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 18.988 -23.474 4.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.100 -25.927 1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.280 -25.685 3.391 1.00 0.00 H new ATOM 1587 N GLN A 97 14.663 -21.572 1.675 1.00 0.00 N ATOM 1588 CA GLN A 97 14.073 -22.557 2.573 1.00 0.00 C ATOM 1589 C GLN A 97 12.582 -22.723 2.295 1.00 0.00 C ATOM 1590 O GLN A 97 11.906 -21.774 1.900 1.00 0.00 O ATOM 1591 CB GLN A 97 14.288 -22.144 4.030 1.00 0.00 C ATOM 1592 CG GLN A 97 15.408 -22.907 4.720 1.00 0.00 C ATOM 1593 CD GLN A 97 15.684 -22.398 6.121 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.378 -23.066 7.108 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.267 -21.208 6.214 1.00 0.00 N ATOM 0 H GLN A 97 15.133 -20.799 2.147 1.00 0.00 H new ATOM 0 HA GLN A 97 14.566 -23.513 2.397 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.509 -21.077 4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.361 -22.297 4.583 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.147 -23.964 4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.317 -22.829 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.503 -20.688 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.478 -20.814 7.131 1.00 0.00 H new