USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 CYS SG : rot 151:sc= -0.308 USER MOD Set 1.2: A 60 CYS SG : rot -114:sc= -2.65 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -1.91 K(o=-9.2,f=-13!) USER MOD Set 1.4: A 74 THR OG1 : rot 79:sc= 1.07 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -5.36! C(o=-9.2!,f=-9!) USER MOD Set 2.1: A 27 CYS SG : rot 100:sc= 0.297 USER MOD Set 2.2: A 30 CYS SG : rot -96:sc= -1.14 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -1.43! X(o=-1.8!,f=-1.6) USER MOD Set 2.4: A 48 CYS SG : rot 174:sc= 0.493 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -4.36 K(o=-4.4,f=-2.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -5.59! C(o=-5.6!,f=-4.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00139 USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.0346 (180deg=-0.27) USER MOD Single : A 37 THR OG1 : rot -60:sc= 0.925 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -141:sc= -1.87 (180deg=-4.29!) USER MOD Single : A 49 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.66) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -0.365 (180deg=-1.39!) USER MOD Single : A 52 GLN : amide:sc= -3.93! K(o=-3.9!,f=-2.9) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0307 (180deg=-0.224) USER MOD Single : A 58 GLN : amide:sc= -0.836 K(o=-0.84,f=-4.3!) USER MOD Single : A 59 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc=-0.000559 X(o=-0.00056,f=-0.081) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.415 (180deg=-1.54!) USER MOD Single : A 71 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.4) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -147:sc= 0 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -2.921 16.223 -7.375 1.00 0.00 N ATOM 95 CA PRO A 11 -2.503 15.061 -8.164 1.00 0.00 C ATOM 96 C PRO A 11 -1.332 15.378 -9.087 1.00 0.00 C ATOM 97 O PRO A 11 -0.832 14.503 -9.793 1.00 0.00 O ATOM 98 CB PRO A 11 -3.751 14.720 -8.982 1.00 0.00 C ATOM 99 CG PRO A 11 -4.502 16.003 -9.080 1.00 0.00 C ATOM 100 CD PRO A 11 -4.235 16.738 -7.796 1.00 0.00 C ATOM 0 HA PRO A 11 -2.154 14.244 -7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.486 14.340 -9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.346 13.949 -8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.169 16.585 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.569 15.822 -9.211 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.214 17.817 -7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.004 16.536 -7.050 1.00 0.00 H new ATOM 108 N GLU A 12 -0.899 16.635 -9.076 1.00 0.00 N ATOM 109 CA GLU A 12 0.214 17.066 -9.914 1.00 0.00 C ATOM 110 C GLU A 12 1.343 17.644 -9.064 1.00 0.00 C ATOM 111 O GLU A 12 1.909 18.686 -9.391 1.00 0.00 O ATOM 112 CB GLU A 12 -0.257 18.108 -10.930 1.00 0.00 C ATOM 113 CG GLU A 12 -1.413 17.635 -11.796 1.00 0.00 C ATOM 114 CD GLU A 12 -2.272 18.778 -12.299 1.00 0.00 C ATOM 115 OE1 GLU A 12 -1.775 19.924 -12.330 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.441 18.528 -12.661 1.00 0.00 O ATOM 0 H GLU A 12 -1.301 17.372 -8.497 1.00 0.00 H new ATOM 0 HA GLU A 12 0.593 16.194 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.558 19.011 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.580 18.380 -11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.020 17.079 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.032 16.945 -11.223 1.00 0.00 H new ATOM 123 N GLU A 13 1.663 16.958 -7.971 1.00 0.00 N ATOM 124 CA GLU A 13 2.722 17.403 -7.073 1.00 0.00 C ATOM 125 C GLU A 13 4.081 16.888 -7.539 1.00 0.00 C ATOM 126 O GLU A 13 4.975 17.671 -7.861 1.00 0.00 O ATOM 127 CB GLU A 13 2.446 16.927 -5.646 1.00 0.00 C ATOM 128 CG GLU A 13 1.443 17.791 -4.899 1.00 0.00 C ATOM 129 CD GLU A 13 1.227 17.331 -3.471 1.00 0.00 C ATOM 130 OE1 GLU A 13 0.459 16.367 -3.268 1.00 0.00 O ATOM 131 OE2 GLU A 13 1.825 17.935 -2.556 1.00 0.00 O ATOM 0 H GLU A 13 1.204 16.093 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 13 2.741 18.493 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.076 15.902 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.383 16.910 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.791 18.824 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.491 17.777 -5.429 1.00 0.00 H new ATOM 138 N GLN A 14 4.228 15.568 -7.570 1.00 0.00 N ATOM 139 CA GLN A 14 5.479 14.949 -7.994 1.00 0.00 C ATOM 140 C GLN A 14 5.706 15.151 -9.489 1.00 0.00 C ATOM 141 O GLN A 14 6.802 15.516 -9.915 1.00 0.00 O ATOM 142 CB GLN A 14 5.470 13.455 -7.665 1.00 0.00 C ATOM 143 CG GLN A 14 6.757 12.741 -8.045 1.00 0.00 C ATOM 144 CD GLN A 14 6.884 11.380 -7.389 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.987 10.543 -7.490 1.00 0.00 O ATOM 146 NE2 GLN A 14 8.004 11.151 -6.713 1.00 0.00 N ATOM 0 H GLN A 14 3.497 14.906 -7.307 1.00 0.00 H new ATOM 0 HA GLN A 14 6.295 15.428 -7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.295 13.328 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.635 12.982 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.797 12.623 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.609 13.359 -7.760 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.722 11.874 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.147 10.253 -6.252 1.00 0.00 H new ATOM 155 N TRP A 15 4.666 14.912 -10.278 1.00 0.00 N ATOM 156 CA TRP A 15 4.753 15.068 -11.726 1.00 0.00 C ATOM 157 C TRP A 15 5.193 16.480 -12.096 1.00 0.00 C ATOM 158 O TRP A 15 5.858 16.686 -13.111 1.00 0.00 O ATOM 159 CB TRP A 15 3.405 14.753 -12.376 1.00 0.00 C ATOM 160 CG TRP A 15 3.066 13.293 -12.365 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.943 12.248 -12.434 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.758 12.717 -12.281 1.00 0.00 C ATOM 163 NE1 TRP A 15 3.258 11.057 -12.399 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.916 11.318 -12.304 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.468 13.248 -12.187 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.834 10.445 -12.238 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.605 12.380 -12.121 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.418 10.992 -12.146 1.00 0.00 C ATOM 0 H TRP A 15 3.752 14.609 -9.940 1.00 0.00 H new ATOM 0 HA TRP A 15 5.500 14.366 -12.098 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.622 15.304 -11.856 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.415 15.108 -13.406 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.016 12.344 -12.506 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.680 10.129 -12.437 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.313 14.317 -12.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.977 9.375 -12.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.606 12.779 -12.049 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.278 10.341 -12.092 1.00 0.00 H new ATOM 179 N GLN A 16 4.817 17.448 -11.267 1.00 0.00 N ATOM 180 CA GLN A 16 5.173 18.841 -11.509 1.00 0.00 C ATOM 181 C GLN A 16 6.673 19.057 -11.338 1.00 0.00 C ATOM 182 O GLN A 16 7.312 19.719 -12.157 1.00 0.00 O ATOM 183 CB GLN A 16 4.402 19.759 -10.559 1.00 0.00 C ATOM 184 CG GLN A 16 4.776 21.227 -10.693 1.00 0.00 C ATOM 185 CD GLN A 16 3.659 22.156 -10.262 1.00 0.00 C ATOM 186 OE1 GLN A 16 3.567 22.534 -9.093 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.801 22.529 -11.204 1.00 0.00 N ATOM 0 H GLN A 16 4.266 17.294 -10.422 1.00 0.00 H new ATOM 0 HA GLN A 16 4.904 19.085 -12.537 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.334 19.646 -10.746 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.582 19.439 -9.533 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.663 21.428 -10.092 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.039 21.438 -11.730 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.915 22.192 -12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.028 23.153 -10.972 1.00 0.00 H new ATOM 196 N ARG A 17 7.229 18.496 -10.270 1.00 0.00 N ATOM 197 CA ARG A 17 8.654 18.628 -9.991 1.00 0.00 C ATOM 198 C ARG A 17 9.482 18.334 -11.238 1.00 0.00 C ATOM 199 O ARG A 17 10.584 18.856 -11.401 1.00 0.00 O ATOM 200 CB ARG A 17 9.064 17.684 -8.859 1.00 0.00 C ATOM 201 CG ARG A 17 8.986 18.317 -7.480 1.00 0.00 C ATOM 202 CD ARG A 17 7.563 18.312 -6.944 1.00 0.00 C ATOM 203 NE ARG A 17 7.458 19.004 -5.662 1.00 0.00 N ATOM 204 CZ ARG A 17 7.422 20.326 -5.542 1.00 0.00 C ATOM 205 NH1 ARG A 17 7.482 21.095 -6.620 1.00 0.00 N ATOM 206 NH2 ARG A 17 7.325 20.882 -4.341 1.00 0.00 N ATOM 0 H ARG A 17 6.714 17.945 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 17 8.844 19.656 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.423 16.803 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.084 17.341 -9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.637 17.776 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.354 19.342 -7.528 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.901 18.788 -7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.223 17.283 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 17 7.410 18.441 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.556 20.672 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.454 22.110 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.278 20.294 -3.509 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.297 21.898 -4.250 1.00 0.00 H new ATOM 220 N ALA A 18 8.942 17.494 -12.116 1.00 0.00 N ATOM 221 CA ALA A 18 9.629 17.131 -13.349 1.00 0.00 C ATOM 222 C ALA A 18 9.170 18.005 -14.511 1.00 0.00 C ATOM 223 O ALA A 18 9.987 18.505 -15.285 1.00 0.00 O ATOM 224 CB ALA A 18 9.400 15.662 -13.668 1.00 0.00 C ATOM 0 H ALA A 18 8.030 17.052 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 18 10.696 17.297 -13.203 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.919 15.405 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.784 15.049 -12.853 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.332 15.478 -13.788 1.00 0.00 H new ATOM 230 N ILE A 19 7.859 18.185 -14.628 1.00 0.00 N ATOM 231 CA ILE A 19 7.292 18.999 -15.696 1.00 0.00 C ATOM 232 C ILE A 19 7.995 20.349 -15.790 1.00 0.00 C ATOM 233 O ILE A 19 8.131 20.916 -16.874 1.00 0.00 O ATOM 234 CB ILE A 19 5.784 19.231 -15.487 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.011 17.928 -15.696 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.278 20.311 -16.432 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.689 17.884 -14.962 1.00 0.00 C ATOM 0 H ILE A 19 7.169 17.778 -13.996 1.00 0.00 H new ATOM 0 HA ILE A 19 7.441 18.449 -16.625 1.00 0.00 H new ATOM 0 HB ILE A 19 5.622 19.567 -14.463 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.830 17.790 -16.762 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.628 17.092 -15.366 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.211 20.463 -16.272 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.810 21.242 -16.239 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.450 20.002 -17.463 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.196 16.931 -15.156 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.864 17.990 -13.891 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.053 18.699 -15.309 1.00 0.00 H new ATOM 249 N HIS A 20 8.441 20.859 -14.646 1.00 0.00 N ATOM 250 CA HIS A 20 9.132 22.143 -14.599 1.00 0.00 C ATOM 251 C HIS A 20 10.638 21.955 -14.761 1.00 0.00 C ATOM 252 O HIS A 20 11.331 22.835 -15.269 1.00 0.00 O ATOM 253 CB HIS A 20 8.835 22.858 -13.281 1.00 0.00 C ATOM 254 CG HIS A 20 9.830 22.562 -12.201 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.862 23.415 -11.874 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.944 21.499 -11.370 1.00 0.00 C ATOM 257 CE1 HIS A 20 11.570 22.890 -10.890 1.00 0.00 C ATOM 258 NE2 HIS A 20 11.033 21.727 -10.566 1.00 0.00 N ATOM 0 H HIS A 20 8.336 20.403 -13.740 1.00 0.00 H new ATOM 0 HA HIS A 20 8.768 22.754 -15.425 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.812 23.933 -13.458 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.842 22.570 -12.937 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.299 20.633 -11.345 1.00 0.00 H new ATOM 0 HE1 HIS A 20 12.439 23.335 -10.429 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.373 21.100 -9.837 1.00 0.00 H new ATOM 266 N GLU A 21 11.136 20.802 -14.325 1.00 0.00 N ATOM 267 CA GLU A 21 12.559 20.501 -14.421 1.00 0.00 C ATOM 268 C GLU A 21 12.973 20.285 -15.874 1.00 0.00 C ATOM 269 O GLU A 21 13.863 20.965 -16.385 1.00 0.00 O ATOM 270 CB GLU A 21 12.898 19.259 -13.594 1.00 0.00 C ATOM 271 CG GLU A 21 13.268 19.570 -12.153 1.00 0.00 C ATOM 272 CD GLU A 21 13.396 18.322 -11.301 1.00 0.00 C ATOM 273 OE1 GLU A 21 14.257 17.474 -11.616 1.00 0.00 O ATOM 274 OE2 GLU A 21 12.634 18.194 -10.320 1.00 0.00 O ATOM 0 H GLU A 21 10.575 20.062 -13.902 1.00 0.00 H new ATOM 0 HA GLU A 21 13.111 21.354 -14.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.043 18.582 -13.603 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.727 18.732 -14.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.211 20.117 -12.134 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.511 20.224 -11.721 1.00 0.00 H new ATOM 281 N ARG A 22 12.320 19.333 -16.534 1.00 0.00 N ATOM 282 CA ARG A 22 12.621 19.026 -17.927 1.00 0.00 C ATOM 283 C ARG A 22 11.639 19.727 -18.862 1.00 0.00 C ATOM 284 O ARG A 22 12.041 20.461 -19.764 1.00 0.00 O ATOM 285 CB ARG A 22 12.574 17.515 -18.160 1.00 0.00 C ATOM 286 CG ARG A 22 11.224 16.892 -17.845 1.00 0.00 C ATOM 287 CD ARG A 22 11.355 15.412 -17.520 1.00 0.00 C ATOM 288 NE ARG A 22 11.332 14.584 -18.723 1.00 0.00 N ATOM 289 CZ ARG A 22 10.621 13.467 -18.832 1.00 0.00 C ATOM 290 NH1 ARG A 22 9.879 13.048 -17.817 1.00 0.00 N ATOM 291 NH2 ARG A 22 10.653 12.767 -19.959 1.00 0.00 N ATOM 0 H ARG A 22 11.580 18.762 -16.126 1.00 0.00 H new ATOM 0 HA ARG A 22 13.626 19.389 -18.145 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.826 17.308 -19.200 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.337 17.037 -17.546 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.770 17.412 -17.001 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.555 17.021 -18.696 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.286 15.240 -16.979 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.542 15.113 -16.858 1.00 0.00 H new ATOM 0 HE ARG A 22 11.892 14.879 -19.523 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.853 13.583 -16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.334 12.190 -17.904 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.224 13.087 -20.742 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.107 11.909 -20.042 1.00 0.00 H new ATOM 305 N GLY A 23 10.349 19.493 -18.641 1.00 0.00 N ATOM 306 CA GLY A 23 9.331 20.108 -19.472 1.00 0.00 C ATOM 307 C GLY A 23 7.960 19.497 -19.256 1.00 0.00 C ATOM 308 O GLY A 23 6.969 20.214 -19.120 1.00 0.00 O ATOM 0 H GLY A 23 9.991 18.889 -17.901 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.287 21.176 -19.258 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.611 20.004 -20.520 1.00 0.00 H new ATOM 312 N GLU A 24 7.903 18.169 -19.228 1.00 0.00 N ATOM 313 CA GLU A 24 6.643 17.463 -19.030 1.00 0.00 C ATOM 314 C GLU A 24 6.889 16.032 -18.560 1.00 0.00 C ATOM 315 O GLU A 24 7.918 15.433 -18.872 1.00 0.00 O ATOM 316 CB GLU A 24 5.830 17.453 -20.326 1.00 0.00 C ATOM 317 CG GLU A 24 6.372 16.500 -21.377 1.00 0.00 C ATOM 318 CD GLU A 24 7.373 17.162 -22.304 1.00 0.00 C ATOM 319 OE1 GLU A 24 8.079 18.087 -21.850 1.00 0.00 O ATOM 320 OE2 GLU A 24 7.450 16.756 -23.482 1.00 0.00 O ATOM 0 H GLU A 24 8.714 17.561 -19.340 1.00 0.00 H new ATOM 0 HA GLU A 24 6.079 17.988 -18.259 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.800 17.180 -20.097 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.808 18.462 -20.739 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.846 15.652 -20.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.544 16.105 -21.965 1.00 0.00 H new ATOM 327 N ALA A 25 5.937 15.491 -17.807 1.00 0.00 N ATOM 328 CA ALA A 25 6.048 14.131 -17.295 1.00 0.00 C ATOM 329 C ALA A 25 5.201 13.164 -18.115 1.00 0.00 C ATOM 330 O ALA A 25 4.078 12.831 -17.736 1.00 0.00 O ATOM 331 CB ALA A 25 5.638 14.083 -15.830 1.00 0.00 C ATOM 0 H ALA A 25 5.080 15.974 -17.538 1.00 0.00 H new ATOM 0 HA ALA A 25 7.090 13.822 -17.380 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.726 13.061 -15.461 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.289 14.736 -15.248 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.605 14.417 -15.730 1.00 0.00 H new ATOM 337 N VAL A 26 5.746 12.717 -19.242 1.00 0.00 N ATOM 338 CA VAL A 26 5.041 11.788 -20.116 1.00 0.00 C ATOM 339 C VAL A 26 4.572 10.558 -19.347 1.00 0.00 C ATOM 340 O VAL A 26 4.838 10.420 -18.153 1.00 0.00 O ATOM 341 CB VAL A 26 5.929 11.338 -21.291 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.302 12.526 -22.165 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.175 10.633 -20.776 1.00 0.00 C ATOM 0 H VAL A 26 6.674 12.984 -19.571 1.00 0.00 H new ATOM 0 HA VAL A 26 4.174 12.319 -20.509 1.00 0.00 H new ATOM 0 HB VAL A 26 5.365 10.632 -21.901 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.929 12.188 -22.990 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.396 12.984 -22.562 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.848 13.258 -21.570 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.792 10.321 -21.619 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.743 11.315 -20.143 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.884 9.757 -20.196 1.00 0.00 H new ATOM 353 N CYS A 27 3.872 9.665 -20.040 1.00 0.00 N ATOM 354 CA CYS A 27 3.365 8.445 -19.423 1.00 0.00 C ATOM 355 C CYS A 27 4.510 7.507 -19.053 1.00 0.00 C ATOM 356 O CYS A 27 5.260 7.035 -19.908 1.00 0.00 O ATOM 357 CB CYS A 27 2.395 7.736 -20.370 1.00 0.00 C ATOM 358 SG CYS A 27 1.213 6.631 -19.532 1.00 0.00 S ATOM 0 H CYS A 27 3.643 9.764 -21.029 1.00 0.00 H new ATOM 0 HA CYS A 27 2.836 8.721 -18.511 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.839 8.486 -20.932 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.968 7.156 -21.093 1.00 0.00 H new ATOM 0 HG CYS A 27 0.068 7.234 -19.408 1.00 0.00 H new ATOM 363 N PRO A 28 4.649 7.229 -17.748 1.00 0.00 N ATOM 364 CA PRO A 28 5.699 6.344 -17.234 1.00 0.00 C ATOM 365 C PRO A 28 5.470 4.887 -17.621 1.00 0.00 C ATOM 366 O PRO A 28 6.202 3.996 -17.189 1.00 0.00 O ATOM 367 CB PRO A 28 5.597 6.517 -15.717 1.00 0.00 C ATOM 368 CG PRO A 28 4.188 6.937 -15.477 1.00 0.00 C ATOM 369 CD PRO A 28 3.791 7.756 -16.674 1.00 0.00 C ATOM 0 HA PRO A 28 6.679 6.595 -17.640 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.827 5.587 -15.196 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.301 7.267 -15.356 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.536 6.071 -15.363 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.105 7.520 -14.560 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.733 7.637 -16.910 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.963 8.820 -16.508 1.00 0.00 H new ATOM 377 N THR A 29 4.448 4.650 -18.438 1.00 0.00 N ATOM 378 CA THR A 29 4.122 3.301 -18.882 1.00 0.00 C ATOM 379 C THR A 29 4.496 3.098 -20.346 1.00 0.00 C ATOM 380 O THR A 29 5.064 2.070 -20.715 1.00 0.00 O ATOM 381 CB THR A 29 2.623 2.996 -18.701 1.00 0.00 C ATOM 382 OG1 THR A 29 2.268 3.091 -17.317 1.00 0.00 O ATOM 383 CG2 THR A 29 2.286 1.608 -19.222 1.00 0.00 C ATOM 0 H THR A 29 3.832 5.375 -18.805 1.00 0.00 H new ATOM 0 HA THR A 29 4.702 2.617 -18.263 1.00 0.00 H new ATOM 0 HB THR A 29 2.054 3.729 -19.273 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.313 2.897 -17.210 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.222 1.416 -19.083 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.530 1.548 -20.283 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.864 0.864 -18.674 1.00 0.00 H new ATOM 391 N CYS A 30 4.176 4.085 -21.176 1.00 0.00 N ATOM 392 CA CYS A 30 4.479 4.016 -22.600 1.00 0.00 C ATOM 393 C CYS A 30 5.305 5.222 -23.039 1.00 0.00 C ATOM 394 O CYS A 30 6.016 5.167 -24.042 1.00 0.00 O ATOM 395 CB CYS A 30 3.186 3.946 -23.415 1.00 0.00 C ATOM 396 SG CYS A 30 1.857 5.028 -22.796 1.00 0.00 S ATOM 0 H CYS A 30 3.706 4.943 -20.886 1.00 0.00 H new ATOM 0 HA CYS A 30 5.063 3.113 -22.779 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.406 4.213 -24.449 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.828 2.916 -23.421 1.00 0.00 H new ATOM 0 HG CYS A 30 1.062 4.343 -22.029 1.00 0.00 H new ATOM 401 N ASN A 31 5.205 6.309 -22.281 1.00 0.00 N ATOM 402 CA ASN A 31 5.942 7.528 -22.592 1.00 0.00 C ATOM 403 C ASN A 31 5.388 8.194 -23.848 1.00 0.00 C ATOM 404 O ASN A 31 6.142 8.618 -24.724 1.00 0.00 O ATOM 405 CB ASN A 31 7.428 7.216 -22.781 1.00 0.00 C ATOM 406 CG ASN A 31 8.293 8.460 -22.717 1.00 0.00 C ATOM 407 OD1 ASN A 31 8.070 9.423 -23.451 1.00 0.00 O ATOM 408 ND2 ASN A 31 9.287 8.445 -21.837 1.00 0.00 N ATOM 0 H ASN A 31 4.621 6.370 -21.447 1.00 0.00 H new ATOM 0 HA ASN A 31 5.825 8.217 -21.755 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.749 6.513 -22.012 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.574 6.725 -23.743 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.903 9.254 -21.749 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.435 7.625 -21.249 1.00 0.00 H new ATOM 415 N VAL A 32 4.064 8.282 -23.929 1.00 0.00 N ATOM 416 CA VAL A 32 3.407 8.898 -25.076 1.00 0.00 C ATOM 417 C VAL A 32 2.089 9.549 -24.671 1.00 0.00 C ATOM 418 O VAL A 32 1.127 8.863 -24.326 1.00 0.00 O ATOM 419 CB VAL A 32 3.138 7.868 -26.188 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.443 7.424 -26.832 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.374 6.674 -25.635 1.00 0.00 C ATOM 0 H VAL A 32 3.425 7.934 -23.214 1.00 0.00 H new ATOM 0 HA VAL A 32 4.084 9.663 -25.456 1.00 0.00 H new ATOM 0 HB VAL A 32 2.524 8.340 -26.955 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.233 6.696 -27.616 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.947 8.288 -27.265 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.085 6.970 -26.077 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.193 5.956 -26.435 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.960 6.200 -24.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.421 7.010 -25.226 1.00 0.00 H new ATOM 431 N VAL A 33 2.053 10.877 -24.716 1.00 0.00 N ATOM 432 CA VAL A 33 0.852 11.621 -24.355 1.00 0.00 C ATOM 433 C VAL A 33 0.937 13.066 -24.833 1.00 0.00 C ATOM 434 O VAL A 33 1.911 13.465 -25.473 1.00 0.00 O ATOM 435 CB VAL A 33 0.620 11.609 -22.832 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.332 10.487 -22.446 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.943 11.474 -22.093 1.00 0.00 C ATOM 0 H VAL A 33 2.841 11.459 -24.999 1.00 0.00 H new ATOM 0 HA VAL A 33 0.014 11.127 -24.846 1.00 0.00 H new ATOM 0 HB VAL A 33 0.164 12.556 -22.544 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.484 10.494 -21.367 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.288 10.632 -22.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.093 9.529 -22.746 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.760 11.467 -21.018 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.429 10.543 -22.384 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.589 12.315 -22.346 1.00 0.00 H new ATOM 447 N THR A 34 -0.090 13.849 -24.519 1.00 0.00 N ATOM 448 CA THR A 34 -0.133 15.250 -24.917 1.00 0.00 C ATOM 449 C THR A 34 1.131 15.984 -24.483 1.00 0.00 C ATOM 450 O THR A 34 1.821 15.557 -23.557 1.00 0.00 O ATOM 451 CB THR A 34 -1.359 15.967 -24.320 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.539 15.186 -24.543 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.534 17.346 -24.937 1.00 0.00 C ATOM 0 H THR A 34 -0.904 13.536 -23.990 1.00 0.00 H new ATOM 0 HA THR A 34 -0.205 15.267 -26.004 1.00 0.00 H new ATOM 0 HB THR A 34 -1.197 16.084 -23.248 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.314 15.647 -24.159 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.406 17.832 -24.500 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.646 17.948 -24.741 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.675 17.248 -26.013 1.00 0.00 H new ATOM 461 N ARG A 35 1.428 17.091 -25.156 1.00 0.00 N ATOM 462 CA ARG A 35 2.609 17.884 -24.839 1.00 0.00 C ATOM 463 C ARG A 35 2.587 18.334 -23.381 1.00 0.00 C ATOM 464 O ARG A 35 3.620 18.356 -22.711 1.00 0.00 O ATOM 465 CB ARG A 35 2.693 19.103 -25.759 1.00 0.00 C ATOM 466 CG ARG A 35 3.332 18.807 -27.106 1.00 0.00 C ATOM 467 CD ARG A 35 2.481 17.851 -27.928 1.00 0.00 C ATOM 468 NE ARG A 35 2.721 17.998 -29.361 1.00 0.00 N ATOM 469 CZ ARG A 35 2.123 18.912 -30.116 1.00 0.00 C ATOM 470 NH1 ARG A 35 1.254 19.757 -29.578 1.00 0.00 N ATOM 471 NH2 ARG A 35 2.394 18.984 -31.413 1.00 0.00 N ATOM 0 H ARG A 35 0.867 17.459 -25.924 1.00 0.00 H new ATOM 0 HA ARG A 35 3.488 17.259 -24.995 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.689 19.495 -25.921 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.264 19.886 -25.260 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.471 19.737 -27.656 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.322 18.376 -26.954 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.696 16.825 -27.628 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.427 18.031 -27.717 1.00 0.00 H new ATOM 0 HE ARG A 35 3.384 17.364 -29.806 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.043 19.706 -28.581 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.796 20.458 -30.161 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.062 18.337 -31.831 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.934 19.687 -31.992 1.00 0.00 H new ATOM 485 N LYS A 36 1.404 18.692 -22.896 1.00 0.00 N ATOM 486 CA LYS A 36 1.246 19.142 -21.518 1.00 0.00 C ATOM 487 C LYS A 36 1.240 17.957 -20.557 1.00 0.00 C ATOM 488 O LYS A 36 1.811 18.025 -19.468 1.00 0.00 O ATOM 489 CB LYS A 36 -0.051 19.941 -21.366 1.00 0.00 C ATOM 490 CG LYS A 36 -0.007 21.304 -22.035 1.00 0.00 C ATOM 491 CD LYS A 36 0.880 22.272 -21.271 1.00 0.00 C ATOM 492 CE LYS A 36 1.462 23.338 -22.187 1.00 0.00 C ATOM 493 NZ LYS A 36 2.480 22.774 -23.116 1.00 0.00 N ATOM 0 H LYS A 36 0.539 18.679 -23.437 1.00 0.00 H new ATOM 0 HA LYS A 36 2.092 19.784 -21.272 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.875 19.365 -21.788 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.265 20.073 -20.305 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.363 21.198 -23.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.016 21.710 -22.102 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.303 22.748 -20.478 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.689 21.723 -20.790 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.660 23.799 -22.763 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.916 24.126 -21.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.085 23.540 -23.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.065 22.079 -22.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.002 22.308 -23.914 1.00 0.00 H new ATOM 507 N THR A 37 0.593 16.870 -20.967 1.00 0.00 N ATOM 508 CA THR A 37 0.514 15.671 -20.143 1.00 0.00 C ATOM 509 C THR A 37 -0.183 15.959 -18.819 1.00 0.00 C ATOM 510 O THR A 37 0.138 15.358 -17.792 1.00 0.00 O ATOM 511 CB THR A 37 1.913 15.092 -19.858 1.00 0.00 C ATOM 512 OG1 THR A 37 2.535 15.816 -18.790 1.00 0.00 O ATOM 513 CG2 THR A 37 2.789 15.158 -21.100 1.00 0.00 C ATOM 0 H THR A 37 0.116 16.796 -21.866 1.00 0.00 H new ATOM 0 HA THR A 37 -0.067 14.939 -20.705 1.00 0.00 H new ATOM 0 HB THR A 37 1.798 14.047 -19.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.617 16.760 -19.039 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.772 14.744 -20.875 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.327 14.582 -21.902 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.896 16.196 -21.415 1.00 0.00 H new ATOM 521 N LEU A 38 -1.140 16.880 -18.847 1.00 0.00 N ATOM 522 CA LEU A 38 -1.884 17.248 -17.648 1.00 0.00 C ATOM 523 C LEU A 38 -3.375 16.980 -17.829 1.00 0.00 C ATOM 524 O LEU A 38 -4.035 16.450 -16.935 1.00 0.00 O ATOM 525 CB LEU A 38 -1.657 18.723 -17.314 1.00 0.00 C ATOM 526 CG LEU A 38 -0.543 19.019 -16.309 1.00 0.00 C ATOM 527 CD1 LEU A 38 -0.970 18.618 -14.905 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.738 18.300 -16.704 1.00 0.00 C ATOM 0 H LEU A 38 -1.419 17.386 -19.688 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.520 16.635 -16.823 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.435 19.255 -18.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.589 19.135 -16.925 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.350 20.092 -16.316 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.165 18.836 -14.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.860 19.179 -14.621 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.191 17.551 -14.883 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.519 18.523 -15.977 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.560 17.225 -16.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.054 18.636 -17.691 1.00 0.00 H new ATOM 540 N VAL A 39 -3.900 17.348 -18.994 1.00 0.00 N ATOM 541 CA VAL A 39 -5.312 17.145 -19.294 1.00 0.00 C ATOM 542 C VAL A 39 -5.540 15.802 -19.980 1.00 0.00 C ATOM 543 O VAL A 39 -6.609 15.205 -19.859 1.00 0.00 O ATOM 544 CB VAL A 39 -5.862 18.268 -20.194 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.530 19.632 -19.608 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.311 18.137 -21.606 1.00 0.00 C ATOM 0 H VAL A 39 -3.368 17.788 -19.745 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.843 17.159 -18.342 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.947 18.174 -20.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.926 20.413 -20.257 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.977 19.721 -18.618 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.448 19.740 -19.529 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.710 18.938 -22.228 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.223 18.205 -21.580 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.604 17.174 -22.023 1.00 0.00 H new ATOM 556 N GLY A 40 -4.527 15.332 -20.701 1.00 0.00 N ATOM 557 CA GLY A 40 -4.636 14.062 -21.395 1.00 0.00 C ATOM 558 C GLY A 40 -4.042 12.915 -20.603 1.00 0.00 C ATOM 559 O GLY A 40 -4.605 11.820 -20.563 1.00 0.00 O ATOM 0 H GLY A 40 -3.632 15.808 -20.817 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.686 13.853 -21.600 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.131 14.134 -22.359 1.00 0.00 H new ATOM 563 N LEU A 41 -2.900 13.163 -19.971 1.00 0.00 N ATOM 564 CA LEU A 41 -2.227 12.142 -19.177 1.00 0.00 C ATOM 565 C LEU A 41 -3.195 11.489 -18.196 1.00 0.00 C ATOM 566 O LEU A 41 -3.080 10.302 -17.890 1.00 0.00 O ATOM 567 CB LEU A 41 -1.048 12.753 -18.417 1.00 0.00 C ATOM 568 CG LEU A 41 -0.382 11.853 -17.376 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.661 10.960 -18.030 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.247 12.690 -16.272 1.00 0.00 C ATOM 0 H LEU A 41 -2.421 14.063 -19.993 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.855 11.375 -19.857 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.293 13.057 -19.142 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.393 13.658 -17.918 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.147 11.217 -16.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.124 10.327 -17.273 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.183 10.334 -18.784 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.424 11.578 -18.502 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.716 12.033 -15.540 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.000 13.352 -16.701 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.524 13.286 -15.783 1.00 0.00 H new ATOM 582 N LYS A 42 -4.151 12.272 -17.707 1.00 0.00 N ATOM 583 CA LYS A 42 -5.143 11.770 -16.763 1.00 0.00 C ATOM 584 C LYS A 42 -6.214 10.955 -17.481 1.00 0.00 C ATOM 585 O LYS A 42 -6.626 9.897 -17.005 1.00 0.00 O ATOM 586 CB LYS A 42 -5.792 12.933 -16.009 1.00 0.00 C ATOM 587 CG LYS A 42 -4.846 13.645 -15.058 1.00 0.00 C ATOM 588 CD LYS A 42 -5.460 14.924 -14.514 1.00 0.00 C ATOM 589 CE LYS A 42 -6.401 14.641 -13.353 1.00 0.00 C ATOM 590 NZ LYS A 42 -7.404 15.726 -13.174 1.00 0.00 N ATOM 0 H LYS A 42 -4.260 13.257 -17.949 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.635 11.121 -16.050 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.178 13.653 -16.731 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.646 12.558 -15.445 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.593 12.982 -14.231 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.916 13.879 -15.576 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.669 15.598 -14.186 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.004 15.434 -15.309 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.916 13.696 -13.525 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.822 14.527 -12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.026 15.495 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.914 16.624 -12.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.974 15.818 -14.039 1.00 0.00 H new ATOM 604 N LYS A 43 -6.660 11.453 -18.629 1.00 0.00 N ATOM 605 CA LYS A 43 -7.680 10.770 -19.415 1.00 0.00 C ATOM 606 C LYS A 43 -7.065 9.653 -20.253 1.00 0.00 C ATOM 607 O LYS A 43 -7.778 8.829 -20.826 1.00 0.00 O ATOM 608 CB LYS A 43 -8.404 11.765 -20.325 1.00 0.00 C ATOM 609 CG LYS A 43 -9.401 12.646 -19.591 1.00 0.00 C ATOM 610 CD LYS A 43 -8.717 13.509 -18.544 1.00 0.00 C ATOM 611 CE LYS A 43 -9.353 14.887 -18.455 1.00 0.00 C ATOM 612 NZ LYS A 43 -10.514 14.904 -17.523 1.00 0.00 N ATOM 0 H LYS A 43 -6.331 12.328 -19.036 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.399 10.329 -18.725 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.666 12.398 -20.817 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.925 11.215 -21.108 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.920 13.283 -20.306 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.156 12.022 -19.113 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.774 13.018 -17.573 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.660 13.610 -18.789 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.608 15.609 -18.121 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.679 15.201 -19.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.919 15.861 -17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.236 14.233 -17.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.199 14.629 -16.571 1.00 0.00 H new ATOM 626 N HIS A 44 -5.738 9.632 -20.319 1.00 0.00 N ATOM 627 CA HIS A 44 -5.027 8.615 -21.086 1.00 0.00 C ATOM 628 C HIS A 44 -4.600 7.457 -20.188 1.00 0.00 C ATOM 629 O HIS A 44 -4.825 6.292 -20.513 1.00 0.00 O ATOM 630 CB HIS A 44 -3.802 9.224 -21.769 1.00 0.00 C ATOM 631 CG HIS A 44 -2.746 8.219 -22.112 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.503 7.793 -23.401 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.866 7.556 -21.326 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.520 6.910 -23.393 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.116 6.749 -22.146 1.00 0.00 N ATOM 0 H HIS A 44 -5.133 10.307 -19.851 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.705 8.230 -21.848 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.119 9.731 -22.680 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.371 9.983 -21.115 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.771 7.645 -20.254 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.116 6.406 -24.258 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.368 6.126 -21.841 1.00 0.00 H new ATOM 643 N MET A 45 -3.984 7.787 -19.058 1.00 0.00 N ATOM 644 CA MET A 45 -3.526 6.775 -18.114 1.00 0.00 C ATOM 645 C MET A 45 -4.696 5.939 -17.604 1.00 0.00 C ATOM 646 O MET A 45 -4.545 4.749 -17.328 1.00 0.00 O ATOM 647 CB MET A 45 -2.804 7.433 -16.937 1.00 0.00 C ATOM 648 CG MET A 45 -3.743 8.074 -15.929 1.00 0.00 C ATOM 649 SD MET A 45 -2.977 8.305 -14.313 1.00 0.00 S ATOM 650 CE MET A 45 -1.532 9.265 -14.758 1.00 0.00 C ATOM 0 H MET A 45 -3.791 8.747 -18.774 1.00 0.00 H new ATOM 0 HA MET A 45 -2.831 6.117 -18.635 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.196 6.684 -16.430 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.121 8.192 -17.319 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.075 9.040 -16.311 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.632 7.452 -15.820 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.680 8.936 -14.164 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.313 9.123 -15.816 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.723 10.321 -14.565 1.00 0.00 H new ATOM 660 N GLU A 46 -5.859 6.570 -17.481 1.00 0.00 N ATOM 661 CA GLU A 46 -7.053 5.883 -17.003 1.00 0.00 C ATOM 662 C GLU A 46 -7.238 4.549 -17.722 1.00 0.00 C ATOM 663 O GLU A 46 -7.400 3.506 -17.088 1.00 0.00 O ATOM 664 CB GLU A 46 -8.290 6.761 -17.207 1.00 0.00 C ATOM 665 CG GLU A 46 -8.455 7.258 -18.633 1.00 0.00 C ATOM 666 CD GLU A 46 -9.554 8.294 -18.766 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.845 8.982 -17.765 1.00 0.00 O ATOM 668 OE2 GLU A 46 -10.124 8.417 -19.871 1.00 0.00 O ATOM 0 H GLU A 46 -6.000 7.555 -17.705 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.927 5.688 -15.938 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.177 6.195 -16.923 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.231 7.619 -16.537 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.513 7.687 -18.976 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.676 6.413 -19.285 1.00 0.00 H new ATOM 675 N VAL A 47 -7.215 4.592 -19.051 1.00 0.00 N ATOM 676 CA VAL A 47 -7.379 3.388 -19.857 1.00 0.00 C ATOM 677 C VAL A 47 -6.034 2.727 -20.138 1.00 0.00 C ATOM 678 O VAL A 47 -5.945 1.506 -20.267 1.00 0.00 O ATOM 679 CB VAL A 47 -8.075 3.700 -21.195 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.470 4.257 -20.954 1.00 0.00 C ATOM 681 CG2 VAL A 47 -7.240 4.669 -22.017 1.00 0.00 C ATOM 0 H VAL A 47 -7.084 5.447 -19.592 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.003 2.704 -19.282 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.172 2.772 -21.759 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.946 4.472 -21.911 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.065 3.525 -20.408 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.399 5.175 -20.370 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.747 4.878 -22.959 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.109 5.598 -21.462 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.265 4.227 -22.220 1.00 0.00 H new ATOM 691 N CYS A 48 -4.989 3.542 -20.232 1.00 0.00 N ATOM 692 CA CYS A 48 -3.647 3.038 -20.498 1.00 0.00 C ATOM 693 C CYS A 48 -3.417 1.705 -19.793 1.00 0.00 C ATOM 694 O CYS A 48 -2.870 0.769 -20.376 1.00 0.00 O ATOM 695 CB CYS A 48 -2.598 4.055 -20.045 1.00 0.00 C ATOM 696 SG CYS A 48 -0.890 3.613 -20.498 1.00 0.00 S ATOM 0 H CYS A 48 -5.046 4.555 -20.128 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.551 2.882 -21.573 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.838 5.026 -20.478 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.658 4.166 -18.962 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.091 4.589 -20.183 1.00 0.00 H new ATOM 701 N GLN A 49 -3.839 1.627 -18.535 1.00 0.00 N ATOM 702 CA GLN A 49 -3.679 0.409 -17.749 1.00 0.00 C ATOM 703 C GLN A 49 -4.230 -0.799 -18.500 1.00 0.00 C ATOM 704 O GLN A 49 -3.514 -1.769 -18.748 1.00 0.00 O ATOM 705 CB GLN A 49 -4.384 0.551 -16.399 1.00 0.00 C ATOM 706 CG GLN A 49 -4.107 -0.599 -15.445 1.00 0.00 C ATOM 707 CD GLN A 49 -2.631 -0.764 -15.142 1.00 0.00 C ATOM 708 OE1 GLN A 49 -1.880 0.211 -15.107 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.206 -2.002 -14.920 1.00 0.00 N ATOM 0 H GLN A 49 -4.294 2.393 -18.038 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.614 0.253 -17.579 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.070 1.484 -15.931 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.459 0.623 -16.565 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.649 -0.432 -14.514 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.491 -1.524 -15.876 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.863 -2.781 -14.959 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.223 -2.174 -14.711 1.00 0.00 H new ATOM 718 N LYS A 50 -5.508 -0.734 -18.858 1.00 0.00 N ATOM 719 CA LYS A 50 -6.157 -1.822 -19.581 1.00 0.00 C ATOM 720 C LYS A 50 -5.323 -2.247 -20.786 1.00 0.00 C ATOM 721 O LYS A 50 -5.054 -3.433 -20.979 1.00 0.00 O ATOM 722 CB LYS A 50 -7.553 -1.396 -20.038 1.00 0.00 C ATOM 723 CG LYS A 50 -8.557 -1.284 -18.904 1.00 0.00 C ATOM 724 CD LYS A 50 -8.423 0.039 -18.169 1.00 0.00 C ATOM 725 CE LYS A 50 -9.770 0.537 -17.668 1.00 0.00 C ATOM 726 NZ LYS A 50 -10.776 0.613 -18.763 1.00 0.00 N ATOM 0 H LYS A 50 -6.115 0.061 -18.659 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.247 -2.672 -18.905 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.482 -0.434 -20.545 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.922 -2.115 -20.769 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.568 -1.380 -19.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.410 -2.107 -18.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.741 -0.079 -17.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.983 0.783 -18.833 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.135 -0.128 -16.885 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.648 1.522 -17.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.483 1.340 -18.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.301 0.860 -19.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.247 -0.308 -18.866 1.00 0.00 H new ATOM 740 N LEU A 51 -4.917 -1.273 -21.591 1.00 0.00 N ATOM 741 CA LEU A 51 -4.112 -1.546 -22.777 1.00 0.00 C ATOM 742 C LEU A 51 -2.916 -2.428 -22.432 1.00 0.00 C ATOM 743 O LEU A 51 -2.741 -3.503 -23.004 1.00 0.00 O ATOM 744 CB LEU A 51 -3.631 -0.237 -23.404 1.00 0.00 C ATOM 745 CG LEU A 51 -4.549 0.379 -24.460 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.734 -0.575 -25.629 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.895 0.744 -23.849 1.00 0.00 C ATOM 0 H LEU A 51 -5.132 -0.287 -21.445 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.737 -2.077 -23.495 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.486 0.493 -22.607 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.655 -0.412 -23.857 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.082 1.291 -24.832 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.390 -0.119 -26.370 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.766 -0.786 -26.083 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.179 -1.504 -25.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.536 1.181 -24.615 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.368 -0.153 -23.449 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.746 1.465 -23.045 1.00 0.00 H new ATOM 759 N GLN A 52 -2.098 -1.965 -21.492 1.00 0.00 N ATOM 760 CA GLN A 52 -0.919 -2.713 -21.071 1.00 0.00 C ATOM 761 C GLN A 52 -1.248 -4.191 -20.890 1.00 0.00 C ATOM 762 O GLN A 52 -0.488 -5.062 -21.312 1.00 0.00 O ATOM 763 CB GLN A 52 -0.365 -2.138 -19.766 1.00 0.00 C ATOM 764 CG GLN A 52 0.072 -0.687 -19.877 1.00 0.00 C ATOM 765 CD GLN A 52 1.046 -0.456 -21.016 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.660 -0.015 -22.099 1.00 0.00 O ATOM 767 NE2 GLN A 52 2.318 -0.754 -20.778 1.00 0.00 N ATOM 0 H GLN A 52 -2.230 -1.077 -21.008 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.163 -2.621 -21.851 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.126 -2.221 -18.990 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.484 -2.741 -19.445 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.806 -0.057 -20.021 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.535 -0.378 -18.940 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.595 -1.117 -19.866 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.018 -0.620 -21.507 1.00 0.00 H new ATOM 776 N ASP A 53 -2.385 -4.466 -20.260 1.00 0.00 N ATOM 777 CA ASP A 53 -2.815 -5.839 -20.024 1.00 0.00 C ATOM 778 C ASP A 53 -2.835 -6.634 -21.326 1.00 0.00 C ATOM 779 O ASP A 53 -2.430 -7.795 -21.362 1.00 0.00 O ATOM 780 CB ASP A 53 -4.202 -5.858 -19.379 1.00 0.00 C ATOM 781 CG ASP A 53 -4.560 -7.219 -18.815 1.00 0.00 C ATOM 782 OD1 ASP A 53 -4.128 -7.526 -17.684 1.00 0.00 O ATOM 783 OD2 ASP A 53 -5.273 -7.977 -19.505 1.00 0.00 O ATOM 0 H ASP A 53 -3.025 -3.756 -19.904 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.101 -6.306 -19.346 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.239 -5.116 -18.581 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.948 -5.567 -20.119 1.00 0.00 H new ATOM 788 N ALA A 54 -3.311 -6.000 -22.393 1.00 0.00 N ATOM 789 CA ALA A 54 -3.383 -6.647 -23.697 1.00 0.00 C ATOM 790 C ALA A 54 -2.009 -7.132 -24.146 1.00 0.00 C ATOM 791 O ALA A 54 -1.811 -8.322 -24.398 1.00 0.00 O ATOM 792 CB ALA A 54 -3.971 -5.694 -24.727 1.00 0.00 C ATOM 0 H ALA A 54 -3.652 -5.039 -22.380 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.035 -7.516 -23.608 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.019 -6.190 -25.696 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.975 -5.400 -24.420 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.341 -4.808 -24.804 1.00 0.00 H new ATOM 798 N LEU A 55 -1.062 -6.205 -24.244 1.00 0.00 N ATOM 799 CA LEU A 55 0.294 -6.539 -24.664 1.00 0.00 C ATOM 800 C LEU A 55 0.857 -7.683 -23.827 1.00 0.00 C ATOM 801 O LEU A 55 1.518 -8.582 -24.348 1.00 0.00 O ATOM 802 CB LEU A 55 1.201 -5.313 -24.547 1.00 0.00 C ATOM 803 CG LEU A 55 1.081 -4.280 -25.668 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.813 -3.000 -25.296 1.00 0.00 C ATOM 805 CD2 LEU A 55 1.621 -4.845 -26.974 1.00 0.00 C ATOM 0 H LEU A 55 -1.208 -5.217 -24.038 1.00 0.00 H new ATOM 0 HA LEU A 55 0.257 -6.859 -25.705 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.988 -4.818 -23.600 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.235 -5.654 -24.503 1.00 0.00 H new ATOM 0 HG LEU A 55 0.026 -4.043 -25.806 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.716 -2.277 -26.106 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.380 -2.585 -24.386 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.868 -3.219 -25.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.528 -4.096 -27.761 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.671 -5.111 -26.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.052 -5.733 -27.249 1.00 0.00 H new ATOM 817 N LYS A 56 0.589 -7.645 -22.526 1.00 0.00 N ATOM 818 CA LYS A 56 1.066 -8.680 -21.616 1.00 0.00 C ATOM 819 C LYS A 56 0.741 -10.070 -22.154 1.00 0.00 C ATOM 820 O LYS A 56 -0.385 -10.336 -22.578 1.00 0.00 O ATOM 821 CB LYS A 56 0.439 -8.499 -20.232 1.00 0.00 C ATOM 822 CG LYS A 56 0.910 -9.521 -19.212 1.00 0.00 C ATOM 823 CD LYS A 56 0.676 -9.039 -17.790 1.00 0.00 C ATOM 824 CE LYS A 56 0.808 -10.175 -16.787 1.00 0.00 C ATOM 825 NZ LYS A 56 -0.313 -11.148 -16.901 1.00 0.00 N ATOM 0 H LYS A 56 0.044 -6.908 -22.078 1.00 0.00 H new ATOM 0 HA LYS A 56 2.149 -8.585 -21.534 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.671 -7.499 -19.865 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.645 -8.562 -20.323 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.384 -10.462 -19.369 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.971 -9.721 -19.359 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.393 -8.254 -17.548 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.318 -8.598 -17.713 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.755 -10.691 -16.946 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.833 -9.767 -15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.354 -11.732 -16.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.210 -10.633 -17.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.159 -11.759 -17.728 1.00 0.00 H new ATOM 839 N CYS A 57 1.733 -10.954 -22.134 1.00 0.00 N ATOM 840 CA CYS A 57 1.553 -12.317 -22.619 1.00 0.00 C ATOM 841 C CYS A 57 0.577 -13.086 -21.733 1.00 0.00 C ATOM 842 O CYS A 57 0.156 -12.594 -20.686 1.00 0.00 O ATOM 843 CB CYS A 57 2.898 -13.045 -22.667 1.00 0.00 C ATOM 844 SG CYS A 57 2.999 -14.336 -23.949 1.00 0.00 S ATOM 0 H CYS A 57 2.670 -10.751 -21.787 1.00 0.00 H new ATOM 0 HA CYS A 57 1.139 -12.266 -23.626 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.689 -12.315 -22.839 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.089 -13.498 -21.694 1.00 0.00 H new ATOM 0 HG CYS A 57 4.231 -14.460 -24.344 1.00 0.00 H new ATOM 849 N GLN A 58 0.223 -14.293 -22.161 1.00 0.00 N ATOM 850 CA GLN A 58 -0.703 -15.129 -21.406 1.00 0.00 C ATOM 851 C GLN A 58 -0.029 -16.422 -20.958 1.00 0.00 C ATOM 852 O GLN A 58 -0.200 -16.862 -19.821 1.00 0.00 O ATOM 853 CB GLN A 58 -1.937 -15.450 -22.250 1.00 0.00 C ATOM 854 CG GLN A 58 -3.112 -15.971 -21.438 1.00 0.00 C ATOM 855 CD GLN A 58 -3.738 -14.902 -20.565 1.00 0.00 C ATOM 856 OE1 GLN A 58 -3.146 -13.846 -20.336 1.00 0.00 O ATOM 857 NE2 GLN A 58 -4.941 -15.169 -20.072 1.00 0.00 N ATOM 0 H GLN A 58 0.563 -14.714 -23.026 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.011 -14.576 -20.519 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.245 -14.551 -22.784 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.669 -16.192 -23.003 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.867 -16.370 -22.115 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.777 -16.797 -20.811 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.395 -16.057 -20.287 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.412 -14.486 -19.478 1.00 0.00 H new ATOM 866 N HIS A 59 0.739 -17.026 -21.860 1.00 0.00 N ATOM 867 CA HIS A 59 1.440 -18.269 -21.557 1.00 0.00 C ATOM 868 C HIS A 59 2.537 -18.036 -20.523 1.00 0.00 C ATOM 869 O HIS A 59 2.683 -18.805 -19.572 1.00 0.00 O ATOM 870 CB HIS A 59 2.041 -18.863 -22.831 1.00 0.00 C ATOM 871 CG HIS A 59 1.047 -19.599 -23.675 1.00 0.00 C ATOM 872 ND1 HIS A 59 0.143 -20.502 -23.158 1.00 0.00 N ATOM 873 CD2 HIS A 59 0.818 -19.561 -25.009 1.00 0.00 C ATOM 874 CE1 HIS A 59 -0.599 -20.989 -24.137 1.00 0.00 C ATOM 875 NE2 HIS A 59 -0.210 -20.433 -25.270 1.00 0.00 N ATOM 0 H HIS A 59 0.891 -16.675 -22.806 1.00 0.00 H new ATOM 0 HA HIS A 59 0.718 -18.973 -21.142 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.484 -18.061 -23.422 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.849 -19.543 -22.559 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.346 -18.957 -25.733 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.389 -21.718 -24.029 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.609 -20.621 -26.190 1.00 0.00 H new ATOM 883 N CYS A 60 3.308 -16.971 -20.715 1.00 0.00 N ATOM 884 CA CYS A 60 4.394 -16.636 -19.801 1.00 0.00 C ATOM 885 C CYS A 60 3.982 -15.510 -18.857 1.00 0.00 C ATOM 886 O CYS A 60 4.655 -15.245 -17.860 1.00 0.00 O ATOM 887 CB CYS A 60 5.642 -16.228 -20.586 1.00 0.00 C ATOM 888 SG CYS A 60 5.624 -14.501 -21.165 1.00 0.00 S ATOM 0 H CYS A 60 3.201 -16.324 -21.496 1.00 0.00 H new ATOM 0 HA CYS A 60 4.621 -17.521 -19.206 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.519 -16.380 -19.958 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.748 -16.888 -21.447 1.00 0.00 H new ATOM 0 HG CYS A 60 5.580 -14.479 -22.464 1.00 0.00 H new ATOM 893 N ARG A 61 2.873 -14.852 -19.178 1.00 0.00 N ATOM 894 CA ARG A 61 2.372 -13.755 -18.359 1.00 0.00 C ATOM 895 C ARG A 61 3.467 -12.724 -18.103 1.00 0.00 C ATOM 896 O ARG A 61 3.680 -12.297 -16.968 1.00 0.00 O ATOM 897 CB ARG A 61 1.835 -14.286 -17.029 1.00 0.00 C ATOM 898 CG ARG A 61 0.717 -15.304 -17.186 1.00 0.00 C ATOM 899 CD ARG A 61 1.258 -16.725 -17.211 1.00 0.00 C ATOM 900 NE ARG A 61 1.438 -17.266 -15.867 1.00 0.00 N ATOM 901 CZ ARG A 61 2.272 -18.260 -15.580 1.00 0.00 C ATOM 902 NH1 ARG A 61 2.998 -18.818 -16.539 1.00 0.00 N ATOM 903 NH2 ARG A 61 2.381 -18.697 -14.332 1.00 0.00 N ATOM 0 H ARG A 61 2.305 -15.059 -19.999 1.00 0.00 H new ATOM 0 HA ARG A 61 1.561 -13.271 -18.902 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.654 -14.741 -16.472 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.471 -13.449 -16.433 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.008 -15.198 -16.365 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.169 -15.106 -18.107 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.574 -17.363 -17.770 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.212 -16.741 -17.739 1.00 0.00 H new ATOM 0 HE ARG A 61 0.894 -16.859 -15.107 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.917 -18.484 -17.500 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.637 -19.581 -16.316 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.824 -18.270 -13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.021 -19.460 -14.113 1.00 0.00 H new ATOM 917 N LYS A 62 4.160 -12.328 -19.165 1.00 0.00 N ATOM 918 CA LYS A 62 5.233 -11.347 -19.057 1.00 0.00 C ATOM 919 C LYS A 62 4.868 -10.058 -19.787 1.00 0.00 C ATOM 920 O LYS A 62 4.270 -10.092 -20.862 1.00 0.00 O ATOM 921 CB LYS A 62 6.534 -11.918 -19.627 1.00 0.00 C ATOM 922 CG LYS A 62 7.765 -11.106 -19.264 1.00 0.00 C ATOM 923 CD LYS A 62 9.043 -11.822 -19.668 1.00 0.00 C ATOM 924 CE LYS A 62 9.473 -11.443 -21.077 1.00 0.00 C ATOM 925 NZ LYS A 62 10.789 -12.040 -21.435 1.00 0.00 N ATOM 0 H LYS A 62 3.997 -12.672 -20.111 1.00 0.00 H new ATOM 0 HA LYS A 62 5.376 -11.118 -18.001 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.662 -12.938 -19.265 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.452 -11.973 -20.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.720 -10.135 -19.756 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.775 -10.919 -18.190 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.838 -11.574 -18.965 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.891 -12.900 -19.610 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.718 -11.776 -21.789 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.532 -10.358 -21.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.046 -11.758 -22.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.515 -11.703 -20.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.726 -13.077 -21.382 1.00 0.00 H new ATOM 939 N GLN A 63 5.233 -8.925 -19.196 1.00 0.00 N ATOM 940 CA GLN A 63 4.944 -7.626 -19.792 1.00 0.00 C ATOM 941 C GLN A 63 5.957 -7.289 -20.881 1.00 0.00 C ATOM 942 O GLN A 63 7.119 -7.687 -20.807 1.00 0.00 O ATOM 943 CB GLN A 63 4.951 -6.536 -18.718 1.00 0.00 C ATOM 944 CG GLN A 63 4.662 -5.146 -19.261 1.00 0.00 C ATOM 945 CD GLN A 63 3.184 -4.907 -19.497 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.366 -5.055 -18.588 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.832 -4.534 -20.722 1.00 0.00 N ATOM 0 H GLN A 63 5.729 -8.880 -18.306 1.00 0.00 H new ATOM 0 HA GLN A 63 3.954 -7.674 -20.245 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.209 -6.782 -17.958 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.923 -6.530 -18.225 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.039 -4.401 -18.561 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.203 -5.006 -20.197 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.543 -4.423 -21.445 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.851 -4.358 -20.939 1.00 0.00 H new ATOM 956 N PHE A 64 5.507 -6.554 -21.893 1.00 0.00 N ATOM 957 CA PHE A 64 6.374 -6.165 -23.000 1.00 0.00 C ATOM 958 C PHE A 64 6.135 -4.710 -23.392 1.00 0.00 C ATOM 959 O PHE A 64 4.994 -4.253 -23.463 1.00 0.00 O ATOM 960 CB PHE A 64 6.136 -7.076 -24.206 1.00 0.00 C ATOM 961 CG PHE A 64 6.814 -8.411 -24.092 1.00 0.00 C ATOM 962 CD1 PHE A 64 6.250 -9.427 -23.337 1.00 0.00 C ATOM 963 CD2 PHE A 64 8.016 -8.650 -24.738 1.00 0.00 C ATOM 964 CE1 PHE A 64 6.871 -10.657 -23.230 1.00 0.00 C ATOM 965 CE2 PHE A 64 8.641 -9.878 -24.635 1.00 0.00 C ATOM 966 CZ PHE A 64 8.069 -10.882 -23.879 1.00 0.00 C ATOM 0 H PHE A 64 4.548 -6.216 -21.970 1.00 0.00 H new ATOM 0 HA PHE A 64 7.409 -6.270 -22.673 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.064 -7.231 -24.328 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.490 -6.573 -25.106 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.314 -9.256 -22.826 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.470 -7.868 -25.329 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.420 -11.441 -22.640 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.577 -10.053 -25.146 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.558 -11.841 -23.795 1.00 0.00 H new ATOM 976 N LYS A 65 7.220 -3.986 -23.644 1.00 0.00 N ATOM 977 CA LYS A 65 7.131 -2.582 -24.030 1.00 0.00 C ATOM 978 C LYS A 65 7.289 -2.421 -25.538 1.00 0.00 C ATOM 979 O LYS A 65 7.908 -1.467 -26.009 1.00 0.00 O ATOM 980 CB LYS A 65 8.201 -1.764 -23.304 1.00 0.00 C ATOM 981 CG LYS A 65 7.953 -0.266 -23.346 1.00 0.00 C ATOM 982 CD LYS A 65 8.726 0.458 -22.256 1.00 0.00 C ATOM 983 CE LYS A 65 8.858 1.943 -22.558 1.00 0.00 C ATOM 984 NZ LYS A 65 9.943 2.214 -23.541 1.00 0.00 N ATOM 0 H LYS A 65 8.172 -4.348 -23.588 1.00 0.00 H new ATOM 0 HA LYS A 65 6.145 -2.214 -23.745 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.250 -2.087 -22.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.173 -1.976 -23.750 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.245 0.125 -24.321 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.887 -0.069 -23.229 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.220 0.324 -21.300 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.718 0.016 -22.157 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.912 2.320 -22.948 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.061 2.485 -21.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.001 3.237 -23.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.850 1.877 -23.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.737 1.718 -24.431 1.00 0.00 H new ATOM 998 N SER A 66 6.725 -3.360 -26.292 1.00 0.00 N ATOM 999 CA SER A 66 6.806 -3.324 -27.747 1.00 0.00 C ATOM 1000 C SER A 66 5.854 -4.340 -28.370 1.00 0.00 C ATOM 1001 O SER A 66 5.677 -5.442 -27.850 1.00 0.00 O ATOM 1002 CB SER A 66 8.239 -3.601 -28.207 1.00 0.00 C ATOM 1003 OG SER A 66 8.451 -3.133 -29.527 1.00 0.00 O ATOM 0 H SER A 66 6.207 -4.155 -25.918 1.00 0.00 H new ATOM 0 HA SER A 66 6.513 -2.328 -28.077 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.942 -3.117 -27.529 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.438 -4.672 -28.161 1.00 0.00 H new ATOM 0 HG SER A 66 9.374 -3.321 -29.796 1.00 0.00 H new ATOM 1009 N LYS A 67 5.244 -3.962 -29.488 1.00 0.00 N ATOM 1010 CA LYS A 67 4.310 -4.839 -30.185 1.00 0.00 C ATOM 1011 C LYS A 67 5.056 -5.924 -30.956 1.00 0.00 C ATOM 1012 O LYS A 67 4.728 -7.106 -30.856 1.00 0.00 O ATOM 1013 CB LYS A 67 3.435 -4.028 -31.142 1.00 0.00 C ATOM 1014 CG LYS A 67 2.326 -4.841 -31.788 1.00 0.00 C ATOM 1015 CD LYS A 67 1.352 -3.953 -32.545 1.00 0.00 C ATOM 1016 CE LYS A 67 0.212 -3.488 -31.652 1.00 0.00 C ATOM 1017 NZ LYS A 67 0.630 -2.377 -30.753 1.00 0.00 N ATOM 0 H LYS A 67 5.380 -3.053 -29.931 1.00 0.00 H new ATOM 0 HA LYS A 67 3.675 -5.318 -29.440 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.993 -3.193 -30.598 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.064 -3.602 -31.923 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.760 -5.572 -32.471 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.790 -5.400 -31.021 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.881 -3.087 -32.942 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.948 -4.498 -33.398 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.623 -3.160 -32.271 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.145 -4.326 -31.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.188 -1.766 -30.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.995 -2.770 -29.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.375 -1.818 -31.216 1.00 0.00 H new ATOM 1031 N ALA A 68 6.061 -5.514 -31.723 1.00 0.00 N ATOM 1032 CA ALA A 68 6.854 -6.452 -32.507 1.00 0.00 C ATOM 1033 C ALA A 68 7.523 -7.489 -31.612 1.00 0.00 C ATOM 1034 O ALA A 68 7.586 -8.669 -31.952 1.00 0.00 O ATOM 1035 CB ALA A 68 7.898 -5.705 -33.324 1.00 0.00 C ATOM 0 H ALA A 68 6.345 -4.539 -31.818 1.00 0.00 H new ATOM 0 HA ALA A 68 6.183 -6.977 -33.187 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.483 -6.418 -33.905 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.401 -5.008 -33.999 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.558 -5.154 -32.654 1.00 0.00 H new ATOM 1041 N GLY A 69 8.023 -7.039 -30.464 1.00 0.00 N ATOM 1042 CA GLY A 69 8.681 -7.942 -29.538 1.00 0.00 C ATOM 1043 C GLY A 69 7.790 -9.094 -29.118 1.00 0.00 C ATOM 1044 O GLY A 69 8.219 -10.249 -29.110 1.00 0.00 O ATOM 0 H GLY A 69 7.984 -6.066 -30.160 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.585 -8.337 -30.001 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.992 -7.387 -28.653 1.00 0.00 H new ATOM 1048 N LEU A 70 6.547 -8.781 -28.768 1.00 0.00 N ATOM 1049 CA LEU A 70 5.593 -9.800 -28.344 1.00 0.00 C ATOM 1050 C LEU A 70 5.391 -10.846 -29.435 1.00 0.00 C ATOM 1051 O LEU A 70 5.307 -12.041 -29.155 1.00 0.00 O ATOM 1052 CB LEU A 70 4.253 -9.154 -27.986 1.00 0.00 C ATOM 1053 CG LEU A 70 3.146 -10.109 -27.539 1.00 0.00 C ATOM 1054 CD1 LEU A 70 3.484 -10.722 -26.189 1.00 0.00 C ATOM 1055 CD2 LEU A 70 1.809 -9.384 -27.478 1.00 0.00 C ATOM 0 H LEU A 70 6.177 -7.831 -28.769 1.00 0.00 H new ATOM 0 HA LEU A 70 5.998 -10.297 -27.462 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.423 -8.429 -27.190 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.897 -8.598 -28.853 1.00 0.00 H new ATOM 0 HG LEU A 70 3.068 -10.913 -28.271 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.685 -11.399 -25.887 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.420 -11.276 -26.265 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.590 -9.931 -25.447 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.033 -10.079 -27.158 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.874 -8.560 -26.767 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.562 -8.993 -28.465 1.00 0.00 H new ATOM 1067 N ASN A 71 5.317 -10.388 -30.681 1.00 0.00 N ATOM 1068 CA ASN A 71 5.127 -11.284 -31.815 1.00 0.00 C ATOM 1069 C ASN A 71 6.255 -12.308 -31.894 1.00 0.00 C ATOM 1070 O ASN A 71 6.014 -13.515 -31.872 1.00 0.00 O ATOM 1071 CB ASN A 71 5.057 -10.484 -33.118 1.00 0.00 C ATOM 1072 CG ASN A 71 3.764 -9.703 -33.248 1.00 0.00 C ATOM 1073 OD1 ASN A 71 2.736 -10.245 -33.654 1.00 0.00 O ATOM 1074 ND2 ASN A 71 3.810 -8.421 -32.903 1.00 0.00 N ATOM 0 H ASN A 71 5.386 -9.401 -30.930 1.00 0.00 H new ATOM 0 HA ASN A 71 4.186 -11.816 -31.672 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.901 -9.795 -33.164 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.154 -11.164 -33.964 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.971 -7.845 -32.970 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.684 -8.013 -32.572 1.00 0.00 H new ATOM 1081 N TYR A 72 7.486 -11.818 -31.985 1.00 0.00 N ATOM 1082 CA TYR A 72 8.652 -12.690 -32.069 1.00 0.00 C ATOM 1083 C TYR A 72 8.786 -13.543 -30.811 1.00 0.00 C ATOM 1084 O TYR A 72 9.006 -14.752 -30.887 1.00 0.00 O ATOM 1085 CB TYR A 72 9.921 -11.861 -32.275 1.00 0.00 C ATOM 1086 CG TYR A 72 11.190 -12.683 -32.260 1.00 0.00 C ATOM 1087 CD1 TYR A 72 11.419 -13.662 -33.219 1.00 0.00 C ATOM 1088 CD2 TYR A 72 12.160 -12.481 -31.286 1.00 0.00 C ATOM 1089 CE1 TYR A 72 12.577 -14.416 -33.208 1.00 0.00 C ATOM 1090 CE2 TYR A 72 13.322 -13.229 -31.268 1.00 0.00 C ATOM 1091 CZ TYR A 72 13.525 -14.195 -32.231 1.00 0.00 C ATOM 1092 OH TYR A 72 14.680 -14.943 -32.218 1.00 0.00 O ATOM 0 H TYR A 72 7.703 -10.821 -32.003 1.00 0.00 H new ATOM 0 HA TYR A 72 8.517 -13.354 -32.923 1.00 0.00 H new ATOM 0 HB2 TYR A 72 9.850 -11.334 -33.227 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.980 -11.102 -31.495 1.00 0.00 H new ATOM 0 HD1 TYR A 72 10.679 -13.837 -33.986 1.00 0.00 H new ATOM 0 HD2 TYR A 72 12.003 -11.726 -30.530 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.739 -15.174 -33.960 1.00 0.00 H new ATOM 0 HE2 TYR A 72 14.066 -13.058 -30.504 1.00 0.00 H new ATOM 0 HH TYR A 72 15.243 -14.662 -31.467 1.00 0.00 H new ATOM 1102 N HIS A 73 8.651 -12.903 -29.654 1.00 0.00 N ATOM 1103 CA HIS A 73 8.755 -13.602 -28.378 1.00 0.00 C ATOM 1104 C HIS A 73 7.784 -14.778 -28.321 1.00 0.00 C ATOM 1105 O HIS A 73 8.177 -15.909 -28.035 1.00 0.00 O ATOM 1106 CB HIS A 73 8.479 -12.641 -27.222 1.00 0.00 C ATOM 1107 CG HIS A 73 7.833 -13.296 -26.039 1.00 0.00 C ATOM 1108 ND1 HIS A 73 8.551 -13.817 -24.983 1.00 0.00 N ATOM 1109 CD2 HIS A 73 6.529 -13.510 -25.749 1.00 0.00 C ATOM 1110 CE1 HIS A 73 7.715 -14.326 -24.095 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.482 -14.152 -24.536 1.00 0.00 N ATOM 0 H HIS A 73 8.470 -11.902 -29.574 1.00 0.00 H new ATOM 0 HA HIS A 73 9.770 -13.988 -28.285 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.418 -12.186 -26.907 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.837 -11.835 -27.576 1.00 0.00 H new ATOM 0 HD1 HIS A 73 9.568 -13.810 -24.900 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.683 -13.228 -26.358 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.993 -14.803 -23.167 1.00 0.00 H new ATOM 1119 N THR A 74 6.512 -14.502 -28.594 1.00 0.00 N ATOM 1120 CA THR A 74 5.485 -15.535 -28.572 1.00 0.00 C ATOM 1121 C THR A 74 5.737 -16.585 -29.648 1.00 0.00 C ATOM 1122 O THR A 74 5.733 -17.784 -29.371 1.00 0.00 O ATOM 1123 CB THR A 74 4.080 -14.936 -28.775 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.836 -13.918 -27.798 1.00 0.00 O ATOM 1125 CG2 THR A 74 3.011 -16.013 -28.671 1.00 0.00 C ATOM 0 H THR A 74 6.169 -13.571 -28.833 1.00 0.00 H new ATOM 0 HA THR A 74 5.533 -16.006 -27.590 1.00 0.00 H new ATOM 0 HB THR A 74 4.036 -14.500 -29.773 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.287 -13.091 -28.068 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.028 -15.565 -28.818 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.182 -16.771 -29.435 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.055 -16.476 -27.685 1.00 0.00 H new ATOM 1133 N MET A 75 5.958 -16.126 -30.875 1.00 0.00 N ATOM 1134 CA MET A 75 6.215 -17.027 -31.993 1.00 0.00 C ATOM 1135 C MET A 75 7.401 -17.939 -31.695 1.00 0.00 C ATOM 1136 O MET A 75 7.389 -19.120 -32.039 1.00 0.00 O ATOM 1137 CB MET A 75 6.480 -16.227 -33.270 1.00 0.00 C ATOM 1138 CG MET A 75 6.128 -16.980 -34.543 1.00 0.00 C ATOM 1139 SD MET A 75 7.339 -18.250 -34.956 1.00 0.00 S ATOM 1140 CE MET A 75 8.672 -17.246 -35.608 1.00 0.00 C ATOM 0 H MET A 75 5.964 -15.136 -31.121 1.00 0.00 H new ATOM 0 HA MET A 75 5.330 -17.647 -32.138 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.906 -15.301 -33.235 1.00 0.00 H new ATOM 0 HB3 MET A 75 7.533 -15.948 -33.302 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.148 -17.442 -34.428 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.052 -16.273 -35.369 1.00 0.00 H new ATOM 0 HE1 MET A 75 9.190 -17.795 -36.394 1.00 0.00 H new ATOM 0 HE2 MET A 75 8.264 -16.322 -36.018 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.374 -17.009 -34.808 1.00 0.00 H new ATOM 1150 N ALA A 76 8.423 -17.382 -31.053 1.00 0.00 N ATOM 1151 CA ALA A 76 9.615 -18.146 -30.708 1.00 0.00 C ATOM 1152 C ALA A 76 9.365 -19.036 -29.495 1.00 0.00 C ATOM 1153 O ALA A 76 9.433 -20.261 -29.589 1.00 0.00 O ATOM 1154 CB ALA A 76 10.784 -17.209 -30.444 1.00 0.00 C ATOM 0 H ALA A 76 8.449 -16.405 -30.762 1.00 0.00 H new ATOM 0 HA ALA A 76 9.861 -18.789 -31.553 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.668 -17.793 -30.187 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.986 -16.619 -31.338 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.537 -16.543 -29.617 1.00 0.00 H new ATOM 1160 N GLU A 77 9.075 -18.411 -28.358 1.00 0.00 N ATOM 1161 CA GLU A 77 8.816 -19.149 -27.126 1.00 0.00 C ATOM 1162 C GLU A 77 7.532 -19.964 -27.241 1.00 0.00 C ATOM 1163 O GLU A 77 7.568 -21.193 -27.313 1.00 0.00 O ATOM 1164 CB GLU A 77 8.719 -18.186 -25.941 1.00 0.00 C ATOM 1165 CG GLU A 77 10.047 -17.940 -25.246 1.00 0.00 C ATOM 1166 CD GLU A 77 10.141 -16.552 -24.642 1.00 0.00 C ATOM 1167 OE1 GLU A 77 10.440 -15.598 -25.390 1.00 0.00 O ATOM 1168 OE2 GLU A 77 9.916 -16.421 -23.421 1.00 0.00 O ATOM 0 H GLU A 77 9.013 -17.397 -28.264 1.00 0.00 H new ATOM 0 HA GLU A 77 9.647 -19.835 -26.960 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.319 -17.234 -26.289 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.008 -18.585 -25.217 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.185 -18.684 -24.461 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.858 -18.077 -25.961 1.00 0.00 H new ATOM 1175 N HIS A 78 6.397 -19.272 -27.256 1.00 0.00 N ATOM 1176 CA HIS A 78 5.101 -19.932 -27.361 1.00 0.00 C ATOM 1177 C HIS A 78 4.686 -20.084 -28.821 1.00 0.00 C ATOM 1178 O HIS A 78 3.834 -19.345 -29.315 1.00 0.00 O ATOM 1179 CB HIS A 78 4.039 -19.140 -26.597 1.00 0.00 C ATOM 1180 CG HIS A 78 4.559 -18.485 -25.354 1.00 0.00 C ATOM 1181 ND1 HIS A 78 5.504 -19.067 -24.536 1.00 0.00 N ATOM 1182 CD2 HIS A 78 4.261 -17.290 -24.792 1.00 0.00 C ATOM 1183 CE1 HIS A 78 5.764 -18.259 -23.524 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.023 -17.174 -23.656 1.00 0.00 N ATOM 0 H HIS A 78 6.349 -18.255 -27.197 1.00 0.00 H new ATOM 0 HA HIS A 78 5.190 -20.925 -26.921 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.625 -18.376 -27.254 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.221 -19.809 -26.330 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.935 -19.979 -24.688 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.555 -16.564 -25.167 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.464 -18.453 -22.724 1.00 0.00 H new