USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 722 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.0472 K(o=-0.047,f=-1.7!) USER MOD Single : A 8 MET CE :methyl 158:sc= -13.1! (180deg=-14.1!) USER MOD Single : A 15 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.8) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.277 K(o=0.28,f=-0.26) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.827 (180deg=-1.67) USER MOD Single : A 28 ASN : amide:sc= 0.0495 K(o=0.05,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.0505) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -7.93! C(o=-7.9!,f=-14!) USER MOD Single : A 57 ASN : amide:sc= -11.7! C(o=-12!,f=-10!) USER MOD Single : A 61 HIS : no HE2:sc= -0.0616 K(o=-0.062,f=-0.95) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00199 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -1.98! C(o=-2!,f=-3!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0214) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 70:sc= 0.589 USER MOD Single : A 85 MET CE :methyl 162:sc= -6.45! (180deg=-7.72!) USER MOD Single : A 86 ASN : amide:sc= 0.243 X(o=0.24,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 100:sc= -1.92! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 98.125 -0.419 -12.756 1.00 0.00 N ATOM 90 CA ARG A 7 96.767 -0.431 -12.138 1.00 0.00 C ATOM 91 C ARG A 7 96.881 -0.357 -10.612 1.00 0.00 C ATOM 92 O ARG A 7 97.962 -0.366 -10.049 1.00 0.00 O ATOM 93 CB ARG A 7 96.008 -1.710 -12.520 1.00 0.00 C ATOM 94 CG ARG A 7 96.971 -2.769 -13.063 1.00 0.00 C ATOM 95 CD ARG A 7 96.930 -2.745 -14.591 1.00 0.00 C ATOM 96 NE ARG A 7 96.593 -4.106 -15.101 1.00 0.00 N ATOM 97 CZ ARG A 7 96.079 -4.256 -16.294 1.00 0.00 C ATOM 98 NH1 ARG A 7 95.856 -3.215 -17.051 1.00 0.00 N ATOM 99 NH2 ARG A 7 95.789 -5.450 -16.731 1.00 0.00 N ATOM 0 HA ARG A 7 96.220 0.435 -12.510 1.00 0.00 H new ATOM 0 HB2 ARG A 7 95.483 -2.101 -11.649 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.252 -1.480 -13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 7 97.984 -2.573 -12.711 1.00 0.00 H new ATOM 0 HG3 ARG A 7 96.691 -3.756 -12.695 1.00 0.00 H new ATOM 0 HD2 ARG A 7 96.189 -2.023 -14.934 1.00 0.00 H new ATOM 0 HD3 ARG A 7 97.894 -2.425 -14.986 1.00 0.00 H new ATOM 0 HE ARG A 7 96.764 -4.924 -14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 7 96.083 -2.280 -16.712 1.00 0.00 H new ATOM 0 HH12 ARG A 7 95.455 -3.337 -17.981 1.00 0.00 H new ATOM 0 HH21 ARG A 7 95.963 -6.265 -16.143 1.00 0.00 H new ATOM 0 HH22 ARG A 7 95.388 -5.569 -17.661 1.00 0.00 H new ATOM 113 N MET A 8 95.763 -0.286 -9.942 1.00 0.00 N ATOM 114 CA MET A 8 95.777 -0.205 -8.457 1.00 0.00 C ATOM 115 C MET A 8 96.316 -1.517 -7.868 1.00 0.00 C ATOM 116 O MET A 8 96.887 -1.541 -6.794 1.00 0.00 O ATOM 117 CB MET A 8 94.349 0.027 -7.956 1.00 0.00 C ATOM 118 CG MET A 8 94.326 -0.025 -6.427 1.00 0.00 C ATOM 119 SD MET A 8 92.986 -1.115 -5.882 1.00 0.00 S ATOM 120 CE MET A 8 93.329 -1.044 -4.105 1.00 0.00 C ATOM 0 H MET A 8 94.835 -0.281 -10.365 1.00 0.00 H new ATOM 0 HA MET A 8 96.420 0.618 -8.144 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.984 0.994 -8.302 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.682 -0.731 -8.366 1.00 0.00 H new ATOM 0 HG2 MET A 8 95.282 -0.389 -6.050 1.00 0.00 H new ATOM 0 HG3 MET A 8 94.183 0.976 -6.020 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.429 -1.309 -3.550 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.126 -1.746 -3.860 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.638 -0.034 -3.834 1.00 0.00 H new ATOM 130 N ARG A 9 96.123 -2.612 -8.559 1.00 0.00 N ATOM 131 CA ARG A 9 96.600 -3.929 -8.040 1.00 0.00 C ATOM 132 C ARG A 9 98.115 -3.907 -7.808 1.00 0.00 C ATOM 133 O ARG A 9 98.573 -4.121 -6.699 1.00 0.00 O ATOM 134 CB ARG A 9 96.260 -5.025 -9.050 1.00 0.00 C ATOM 135 CG ARG A 9 95.142 -5.906 -8.495 1.00 0.00 C ATOM 136 CD ARG A 9 95.224 -7.292 -9.137 1.00 0.00 C ATOM 137 NE ARG A 9 94.463 -8.269 -8.309 1.00 0.00 N ATOM 138 CZ ARG A 9 94.669 -9.551 -8.453 1.00 0.00 C ATOM 139 NH1 ARG A 9 95.544 -9.983 -9.324 1.00 0.00 N ATOM 140 NH2 ARG A 9 93.999 -10.402 -7.727 1.00 0.00 N ATOM 0 H ARG A 9 95.654 -2.650 -9.464 1.00 0.00 H new ATOM 0 HA ARG A 9 96.105 -4.128 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.950 -4.579 -9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.143 -5.629 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.232 -5.988 -7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.172 -5.454 -8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 9 94.817 -7.261 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 9 96.265 -7.604 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 9 93.780 -7.936 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 9 96.068 -9.318 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 9 95.702 -10.985 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 9 93.316 -10.066 -7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 9 94.158 -11.403 -7.838 1.00 0.00 H new ATOM 154 N PRO A 10 98.854 -3.659 -8.857 1.00 0.00 N ATOM 155 CA PRO A 10 100.322 -3.620 -8.785 1.00 0.00 C ATOM 156 C PRO A 10 100.779 -2.371 -8.038 1.00 0.00 C ATOM 157 O PRO A 10 101.799 -2.373 -7.381 1.00 0.00 O ATOM 158 CB PRO A 10 100.764 -3.601 -10.245 1.00 0.00 C ATOM 159 CG PRO A 10 99.560 -3.081 -11.046 1.00 0.00 C ATOM 160 CD PRO A 10 98.309 -3.374 -10.198 1.00 0.00 C ATOM 0 HA PRO A 10 100.751 -4.463 -8.244 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.632 -2.955 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 10 101.053 -4.598 -10.578 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.656 -2.013 -11.240 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.496 -3.576 -12.015 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.628 -2.523 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.749 -4.222 -10.591 1.00 0.00 H new ATOM 168 N TRP A 11 100.028 -1.308 -8.116 1.00 0.00 N ATOM 169 CA TRP A 11 100.428 -0.077 -7.386 1.00 0.00 C ATOM 170 C TRP A 11 100.426 -0.378 -5.884 1.00 0.00 C ATOM 171 O TRP A 11 101.274 0.086 -5.139 1.00 0.00 O ATOM 172 CB TRP A 11 99.430 1.044 -7.688 1.00 0.00 C ATOM 173 CG TRP A 11 99.991 2.346 -7.214 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.751 3.181 -7.959 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.851 2.974 -5.907 1.00 0.00 C ATOM 176 NE1 TRP A 11 101.087 4.281 -7.191 1.00 0.00 N ATOM 177 CE2 TRP A 11 100.556 4.199 -5.921 1.00 0.00 C ATOM 178 CE3 TRP A 11 99.188 2.603 -4.723 1.00 0.00 C ATOM 179 CZ2 TRP A 11 100.605 5.028 -4.803 1.00 0.00 C ATOM 180 CZ3 TRP A 11 99.234 3.437 -3.593 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.942 4.647 -3.633 1.00 0.00 C ATOM 0 H TRP A 11 99.161 -1.240 -8.650 1.00 0.00 H new ATOM 0 HA TRP A 11 101.423 0.239 -7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 11 99.230 1.089 -8.758 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.479 0.843 -7.194 1.00 0.00 H new ATOM 0 HD1 TRP A 11 101.047 3.016 -8.985 1.00 0.00 H new ATOM 0 HE1 TRP A 11 101.658 5.058 -7.523 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.641 1.673 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 101.151 5.959 -4.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.721 3.145 -2.689 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.975 5.283 -2.761 1.00 0.00 H new ATOM 192 N LEU A 12 99.484 -1.166 -5.434 1.00 0.00 N ATOM 193 CA LEU A 12 99.423 -1.509 -3.990 1.00 0.00 C ATOM 194 C LEU A 12 100.475 -2.570 -3.686 1.00 0.00 C ATOM 195 O LEU A 12 101.156 -2.504 -2.689 1.00 0.00 O ATOM 196 CB LEU A 12 98.032 -2.045 -3.644 1.00 0.00 C ATOM 197 CG LEU A 12 97.411 -1.175 -2.549 1.00 0.00 C ATOM 198 CD1 LEU A 12 96.286 -0.327 -3.146 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.844 -2.070 -1.445 1.00 0.00 C ATOM 0 H LEU A 12 98.754 -1.586 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 12 99.617 -0.618 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.398 -2.041 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.102 -3.079 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 12 98.175 -0.521 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 12 95.844 0.292 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 12 96.690 0.312 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 12 95.522 -0.981 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 12 96.402 -1.450 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 12 96.081 -2.725 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 12 97.645 -2.673 -1.018 1.00 0.00 H new ATOM 211 N GLU A 13 100.621 -3.544 -4.541 1.00 0.00 N ATOM 212 CA GLU A 13 101.648 -4.592 -4.286 1.00 0.00 C ATOM 213 C GLU A 13 103.023 -3.925 -4.169 1.00 0.00 C ATOM 214 O GLU A 13 103.885 -4.369 -3.433 1.00 0.00 O ATOM 215 CB GLU A 13 101.662 -5.591 -5.445 1.00 0.00 C ATOM 216 CG GLU A 13 102.717 -6.666 -5.178 1.00 0.00 C ATOM 217 CD GLU A 13 103.453 -6.996 -6.478 1.00 0.00 C ATOM 218 OE1 GLU A 13 102.826 -7.548 -7.367 1.00 0.00 O ATOM 219 OE2 GLU A 13 104.632 -6.691 -6.561 1.00 0.00 O ATOM 0 H GLU A 13 100.079 -3.659 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 13 101.413 -5.119 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.680 -6.050 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.881 -5.076 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.425 -6.317 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.244 -7.563 -4.778 1.00 0.00 H new ATOM 226 N GLU A 14 103.228 -2.856 -4.892 1.00 0.00 N ATOM 227 CA GLU A 14 104.541 -2.153 -4.836 1.00 0.00 C ATOM 228 C GLU A 14 104.627 -1.323 -3.557 1.00 0.00 C ATOM 229 O GLU A 14 105.575 -1.424 -2.808 1.00 0.00 O ATOM 230 CB GLU A 14 104.678 -1.230 -6.050 1.00 0.00 C ATOM 231 CG GLU A 14 105.270 -2.014 -7.224 1.00 0.00 C ATOM 232 CD GLU A 14 106.751 -1.662 -7.379 1.00 0.00 C ATOM 233 OE1 GLU A 14 107.405 -1.476 -6.366 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.207 -1.587 -8.508 1.00 0.00 O ATOM 0 H GLU A 14 102.541 -2.439 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 14 105.344 -2.890 -4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.704 -0.825 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 14 105.318 -0.382 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.156 -3.085 -7.054 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.731 -1.777 -8.142 1.00 0.00 H new ATOM 241 N GLN A 15 103.649 -0.498 -3.297 1.00 0.00 N ATOM 242 CA GLN A 15 103.694 0.333 -2.059 1.00 0.00 C ATOM 243 C GLN A 15 103.848 -0.578 -0.840 1.00 0.00 C ATOM 244 O GLN A 15 104.432 -0.207 0.160 1.00 0.00 O ATOM 245 CB GLN A 15 102.402 1.138 -1.945 1.00 0.00 C ATOM 246 CG GLN A 15 102.213 1.963 -3.216 1.00 0.00 C ATOM 247 CD GLN A 15 103.028 3.255 -3.113 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.667 4.158 -2.384 1.00 0.00 O ATOM 249 NE2 GLN A 15 104.119 3.382 -3.819 1.00 0.00 N ATOM 0 H GLN A 15 102.826 -0.364 -3.884 1.00 0.00 H new ATOM 0 HA GLN A 15 104.542 1.016 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.554 0.469 -1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.442 1.793 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 15 102.531 1.388 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 15 101.158 2.197 -3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 15 104.422 2.624 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.669 4.239 -3.759 1.00 0.00 H new ATOM 258 N ILE A 16 103.333 -1.771 -0.921 1.00 0.00 N ATOM 259 CA ILE A 16 103.447 -2.717 0.223 1.00 0.00 C ATOM 260 C ILE A 16 104.861 -3.297 0.259 1.00 0.00 C ATOM 261 O ILE A 16 105.508 -3.318 1.288 1.00 0.00 O ATOM 262 CB ILE A 16 102.435 -3.852 0.055 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.019 -3.272 -0.016 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.532 -4.801 1.251 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.165 -4.116 -0.966 1.00 0.00 C ATOM 0 H ILE A 16 102.835 -2.134 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 16 103.243 -2.188 1.154 1.00 0.00 H new ATOM 0 HB ILE A 16 102.652 -4.396 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.571 -3.259 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.055 -2.240 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.811 -5.610 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.538 -5.216 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.315 -4.254 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.158 -3.702 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.610 -4.107 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.118 -5.141 -0.599 1.00 0.00 H new ATOM 277 N ASN A 17 105.350 -3.769 -0.856 1.00 0.00 N ATOM 278 CA ASN A 17 106.724 -4.347 -0.876 1.00 0.00 C ATOM 279 C ASN A 17 107.718 -3.329 -0.309 1.00 0.00 C ATOM 280 O ASN A 17 108.619 -3.671 0.429 1.00 0.00 O ATOM 281 CB ASN A 17 107.111 -4.690 -2.315 1.00 0.00 C ATOM 282 CG ASN A 17 107.787 -6.063 -2.348 1.00 0.00 C ATOM 283 OD1 ASN A 17 108.902 -6.215 -1.893 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.152 -7.076 -2.872 1.00 0.00 N ATOM 0 H ASN A 17 104.860 -3.779 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 17 106.745 -5.251 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.225 -4.694 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.785 -3.931 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.593 -7.995 -2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.215 -6.948 -3.254 1.00 0.00 H new ATOM 291 N SER A 18 107.560 -2.082 -0.653 1.00 0.00 N ATOM 292 CA SER A 18 108.495 -1.039 -0.140 1.00 0.00 C ATOM 293 C SER A 18 108.014 -0.544 1.225 1.00 0.00 C ATOM 294 O SER A 18 108.780 -0.014 2.004 1.00 0.00 O ATOM 295 CB SER A 18 108.538 0.135 -1.119 1.00 0.00 C ATOM 296 OG SER A 18 109.124 -0.293 -2.342 1.00 0.00 O ATOM 0 H SER A 18 106.823 -1.738 -1.268 1.00 0.00 H new ATOM 0 HA SER A 18 109.492 -1.467 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 18 107.531 0.511 -1.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 109.115 0.957 -0.694 1.00 0.00 H new ATOM 0 HG SER A 18 109.151 0.457 -2.972 1.00 0.00 H new ATOM 302 N ASN A 19 106.751 -0.710 1.519 1.00 0.00 N ATOM 303 CA ASN A 19 106.218 -0.248 2.833 1.00 0.00 C ATOM 304 C ASN A 19 106.289 1.278 2.905 1.00 0.00 C ATOM 305 O ASN A 19 107.173 1.843 3.520 1.00 0.00 O ATOM 306 CB ASN A 19 107.046 -0.854 3.970 1.00 0.00 C ATOM 307 CG ASN A 19 106.516 -0.343 5.311 1.00 0.00 C ATOM 308 OD1 ASN A 19 107.156 0.455 5.966 1.00 0.00 O ATOM 309 ND2 ASN A 19 105.365 -0.771 5.747 1.00 0.00 N ATOM 0 H ASN A 19 106.065 -1.147 0.904 1.00 0.00 H new ATOM 0 HA ASN A 19 105.181 -0.569 2.934 1.00 0.00 H new ATOM 0 HB2 ASN A 19 106.991 -1.942 3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.096 -0.584 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 19 105.001 -0.436 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 19 104.828 -1.441 5.196 1.00 0.00 H new ATOM 316 N THR A 20 105.362 1.952 2.282 1.00 0.00 N ATOM 317 CA THR A 20 105.374 3.442 2.315 1.00 0.00 C ATOM 318 C THR A 20 104.536 3.932 3.499 1.00 0.00 C ATOM 319 O THR A 20 104.635 5.071 3.911 1.00 0.00 O ATOM 320 CB THR A 20 104.792 3.982 1.007 1.00 0.00 C ATOM 321 OG1 THR A 20 105.062 5.374 0.907 1.00 0.00 O ATOM 322 CG2 THR A 20 103.282 3.751 0.982 1.00 0.00 C ATOM 0 H THR A 20 104.597 1.536 1.752 1.00 0.00 H new ATOM 0 HA THR A 20 106.397 3.799 2.428 1.00 0.00 H new ATOM 0 HB THR A 20 105.250 3.462 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.691 5.720 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.870 4.137 0.049 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.076 2.683 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.821 4.268 1.823 1.00 0.00 H new ATOM 330 N ILE A 21 103.718 3.079 4.056 1.00 0.00 N ATOM 331 CA ILE A 21 102.883 3.497 5.220 1.00 0.00 C ATOM 332 C ILE A 21 103.159 2.559 6.403 1.00 0.00 C ATOM 333 O ILE A 21 103.281 1.362 6.225 1.00 0.00 O ATOM 334 CB ILE A 21 101.400 3.419 4.848 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.202 3.909 3.412 1.00 0.00 C ATOM 336 CG2 ILE A 21 100.587 4.297 5.800 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.504 5.409 3.326 1.00 0.00 C ATOM 0 H ILE A 21 103.592 2.112 3.756 1.00 0.00 H new ATOM 0 HA ILE A 21 103.132 4.522 5.494 1.00 0.00 H new ATOM 0 HB ILE A 21 101.064 2.385 4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 21 101.857 3.358 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.178 3.716 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 21 99.531 4.241 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 21 100.723 3.947 6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 21 100.926 5.330 5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.361 5.751 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 21 100.831 5.954 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.535 5.590 3.628 1.00 0.00 H new ATOM 349 N PRO A 22 103.243 3.130 7.580 1.00 0.00 N ATOM 350 CA PRO A 22 103.504 2.364 8.810 1.00 0.00 C ATOM 351 C PRO A 22 102.246 1.603 9.226 1.00 0.00 C ATOM 352 O PRO A 22 101.281 2.178 9.690 1.00 0.00 O ATOM 353 CB PRO A 22 103.876 3.437 9.836 1.00 0.00 C ATOM 354 CG PRO A 22 103.279 4.764 9.313 1.00 0.00 C ATOM 355 CD PRO A 22 103.076 4.582 7.796 1.00 0.00 C ATOM 0 HA PRO A 22 104.288 1.615 8.699 1.00 0.00 H new ATOM 0 HB2 PRO A 22 103.474 3.191 10.819 1.00 0.00 H new ATOM 0 HB3 PRO A 22 104.958 3.513 9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 22 102.333 4.986 9.807 1.00 0.00 H new ATOM 0 HG3 PRO A 22 103.949 5.599 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 22 102.088 4.920 7.483 1.00 0.00 H new ATOM 0 HD3 PRO A 22 103.805 5.156 7.225 1.00 0.00 H new ATOM 363 N GLY A 23 102.246 0.315 9.047 1.00 0.00 N ATOM 364 CA GLY A 23 101.051 -0.492 9.411 1.00 0.00 C ATOM 365 C GLY A 23 100.565 -1.236 8.170 1.00 0.00 C ATOM 366 O GLY A 23 99.826 -2.196 8.257 1.00 0.00 O ATOM 0 H GLY A 23 103.026 -0.217 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.300 -1.199 10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.262 0.154 9.797 1.00 0.00 H new ATOM 370 N LEU A 24 100.983 -0.803 7.011 1.00 0.00 N ATOM 371 CA LEU A 24 100.557 -1.485 5.765 1.00 0.00 C ATOM 372 C LEU A 24 101.743 -2.304 5.234 1.00 0.00 C ATOM 373 O LEU A 24 102.805 -1.771 4.986 1.00 0.00 O ATOM 374 CB LEU A 24 100.114 -0.415 4.744 1.00 0.00 C ATOM 375 CG LEU A 24 100.678 -0.728 3.355 1.00 0.00 C ATOM 376 CD1 LEU A 24 100.060 -2.030 2.848 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.347 0.409 2.384 1.00 0.00 C ATOM 0 H LEU A 24 101.603 -0.004 6.878 1.00 0.00 H new ATOM 0 HA LEU A 24 99.719 -2.158 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.026 -0.375 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.456 0.568 5.068 1.00 0.00 H new ATOM 0 HG LEU A 24 101.761 -0.832 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.457 -2.260 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.305 -2.840 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 24 98.977 -1.920 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.753 0.176 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.265 0.524 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.787 1.338 2.747 1.00 0.00 H new ATOM 389 N LYS A 25 101.581 -3.588 5.052 1.00 0.00 N ATOM 390 CA LYS A 25 102.731 -4.393 4.528 1.00 0.00 C ATOM 391 C LYS A 25 102.291 -5.806 4.125 1.00 0.00 C ATOM 392 O LYS A 25 101.141 -6.178 4.257 1.00 0.00 O ATOM 393 CB LYS A 25 103.829 -4.481 5.589 1.00 0.00 C ATOM 394 CG LYS A 25 103.197 -4.460 6.975 1.00 0.00 C ATOM 395 CD LYS A 25 102.269 -5.662 7.116 1.00 0.00 C ATOM 396 CE LYS A 25 102.430 -6.270 8.511 1.00 0.00 C ATOM 397 NZ LYS A 25 103.422 -7.381 8.456 1.00 0.00 N ATOM 0 H LYS A 25 100.723 -4.108 5.238 1.00 0.00 H new ATOM 0 HA LYS A 25 103.114 -3.891 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.407 -5.395 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.522 -3.647 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.971 -4.490 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.639 -3.535 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.235 -5.357 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.502 -6.406 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.761 -5.507 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.471 -6.642 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 103.198 -8.083 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 103.385 -7.833 7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.377 -7.002 8.620 1.00 0.00 H new ATOM 411 N TRP A 26 103.215 -6.586 3.617 1.00 0.00 N ATOM 412 CA TRP A 26 102.891 -7.977 3.177 1.00 0.00 C ATOM 413 C TRP A 26 103.035 -8.957 4.346 1.00 0.00 C ATOM 414 O TRP A 26 104.126 -9.400 4.649 1.00 0.00 O ATOM 415 CB TRP A 26 103.890 -8.416 2.100 1.00 0.00 C ATOM 416 CG TRP A 26 103.501 -7.905 0.750 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.276 -7.108 -0.018 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.288 -8.159 -0.017 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.617 -6.852 -1.205 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.385 -7.473 -1.252 1.00 0.00 C ATOM 421 CE3 TRP A 26 101.125 -8.904 0.234 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.364 -7.527 -2.201 1.00 0.00 C ATOM 423 CZ3 TRP A 26 100.094 -8.961 -0.718 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.214 -8.272 -1.933 1.00 0.00 C ATOM 0 H TRP A 26 104.189 -6.314 3.488 1.00 0.00 H new ATOM 0 HA TRP A 26 101.868 -7.982 2.800 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.885 -8.051 2.355 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.946 -9.504 2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.252 -6.732 0.252 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.995 -6.274 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 26 101.022 -9.438 1.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.462 -6.996 -3.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.205 -9.538 -0.513 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.418 -8.317 -2.661 1.00 0.00 H new ATOM 435 N LEU A 27 101.964 -9.346 4.981 1.00 0.00 N ATOM 436 CA LEU A 27 102.110 -10.342 6.081 1.00 0.00 C ATOM 437 C LEU A 27 102.780 -11.573 5.482 1.00 0.00 C ATOM 438 O LEU A 27 103.557 -12.258 6.114 1.00 0.00 O ATOM 439 CB LEU A 27 100.738 -10.752 6.626 1.00 0.00 C ATOM 440 CG LEU A 27 99.878 -9.527 6.948 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.903 -9.901 8.066 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.757 -8.361 7.414 1.00 0.00 C ATOM 0 H LEU A 27 101.014 -9.026 4.793 1.00 0.00 H new ATOM 0 HA LEU A 27 102.693 -9.913 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.226 -11.376 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.867 -11.355 7.525 1.00 0.00 H new ATOM 0 HG LEU A 27 99.338 -9.219 6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.281 -9.040 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.270 -10.724 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.463 -10.206 8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.129 -7.499 7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.305 -8.654 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.463 -8.100 6.626 1.00 0.00 H new ATOM 454 N ASN A 28 102.470 -11.836 4.244 1.00 0.00 N ATOM 455 CA ASN A 28 103.054 -12.999 3.532 1.00 0.00 C ATOM 456 C ASN A 28 102.942 -12.734 2.032 1.00 0.00 C ATOM 457 O ASN A 28 102.120 -13.309 1.345 1.00 0.00 O ATOM 458 CB ASN A 28 102.275 -14.267 3.891 1.00 0.00 C ATOM 459 CG ASN A 28 103.251 -15.361 4.326 1.00 0.00 C ATOM 460 OD1 ASN A 28 103.190 -16.474 3.840 1.00 0.00 O ATOM 461 ND2 ASN A 28 104.157 -15.091 5.224 1.00 0.00 N ATOM 0 H ASN A 28 101.822 -11.280 3.686 1.00 0.00 H new ATOM 0 HA ASN A 28 104.097 -13.137 3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.567 -14.057 4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 28 101.693 -14.604 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.814 -15.813 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 28 104.209 -14.158 5.632 1.00 0.00 H new ATOM 468 N LYS A 29 103.747 -11.841 1.523 1.00 0.00 N ATOM 469 CA LYS A 29 103.676 -11.516 0.074 1.00 0.00 C ATOM 470 C LYS A 29 103.760 -12.804 -0.751 1.00 0.00 C ATOM 471 O LYS A 29 103.292 -12.864 -1.870 1.00 0.00 O ATOM 472 CB LYS A 29 104.822 -10.565 -0.296 1.00 0.00 C ATOM 473 CG LYS A 29 106.158 -11.309 -0.297 1.00 0.00 C ATOM 474 CD LYS A 29 106.920 -11.000 0.996 1.00 0.00 C ATOM 475 CE LYS A 29 106.613 -12.073 2.042 1.00 0.00 C ATOM 476 NZ LYS A 29 107.805 -12.949 2.219 1.00 0.00 N ATOM 0 H LYS A 29 104.450 -11.323 2.050 1.00 0.00 H new ATOM 0 HA LYS A 29 102.727 -11.025 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.640 -10.132 -1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 29 104.860 -9.739 0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.988 -12.382 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 29 106.751 -11.010 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 29 107.992 -10.966 0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 29 106.634 -10.018 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 29 106.347 -11.606 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 29 105.755 -12.667 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 107.597 -13.679 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 108.039 -13.404 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 108.613 -12.376 2.537 1.00 0.00 H new ATOM 490 N GLU A 30 104.337 -13.842 -0.205 1.00 0.00 N ATOM 491 CA GLU A 30 104.424 -15.120 -0.965 1.00 0.00 C ATOM 492 C GLU A 30 103.010 -15.540 -1.358 1.00 0.00 C ATOM 493 O GLU A 30 102.693 -15.689 -2.521 1.00 0.00 O ATOM 494 CB GLU A 30 105.058 -16.200 -0.084 1.00 0.00 C ATOM 495 CG GLU A 30 104.993 -17.550 -0.804 1.00 0.00 C ATOM 496 CD GLU A 30 106.372 -17.899 -1.364 1.00 0.00 C ATOM 497 OE1 GLU A 30 107.310 -17.956 -0.586 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.468 -18.104 -2.563 1.00 0.00 O ATOM 0 H GLU A 30 104.749 -13.859 0.728 1.00 0.00 H new ATOM 0 HA GLU A 30 105.038 -14.988 -1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 106.094 -15.943 0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 30 104.535 -16.259 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 30 104.662 -18.326 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.261 -17.508 -1.611 1.00 0.00 H new ATOM 505 N LYS A 31 102.149 -15.710 -0.392 1.00 0.00 N ATOM 506 CA LYS A 31 100.747 -16.094 -0.705 1.00 0.00 C ATOM 507 C LYS A 31 99.969 -14.837 -1.107 1.00 0.00 C ATOM 508 O LYS A 31 98.829 -14.907 -1.522 1.00 0.00 O ATOM 509 CB LYS A 31 100.102 -16.729 0.527 1.00 0.00 C ATOM 510 CG LYS A 31 100.106 -18.251 0.377 1.00 0.00 C ATOM 511 CD LYS A 31 101.550 -18.754 0.332 1.00 0.00 C ATOM 512 CE LYS A 31 101.999 -19.132 1.744 1.00 0.00 C ATOM 513 NZ LYS A 31 103.057 -20.177 1.666 1.00 0.00 N ATOM 0 H LYS A 31 102.358 -15.599 0.600 1.00 0.00 H new ATOM 0 HA LYS A 31 100.733 -16.814 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.647 -16.440 1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.080 -16.367 0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.575 -18.711 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 31 99.581 -18.539 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 31 101.626 -19.617 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 31 102.203 -17.982 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 31 102.379 -18.253 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 31 101.151 -19.501 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 103.626 -20.160 2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 102.614 -21.112 1.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 103.670 -19.990 0.847 1.00 0.00 H new ATOM 527 N LYS A 32 100.589 -13.689 -0.991 1.00 0.00 N ATOM 528 CA LYS A 32 99.912 -12.414 -1.370 1.00 0.00 C ATOM 529 C LYS A 32 99.001 -11.937 -0.237 1.00 0.00 C ATOM 530 O LYS A 32 97.846 -11.629 -0.453 1.00 0.00 O ATOM 531 CB LYS A 32 99.080 -12.626 -2.636 1.00 0.00 C ATOM 532 CG LYS A 32 99.041 -11.328 -3.447 1.00 0.00 C ATOM 533 CD LYS A 32 100.409 -11.081 -4.083 1.00 0.00 C ATOM 534 CE LYS A 32 100.833 -12.322 -4.871 1.00 0.00 C ATOM 535 NZ LYS A 32 101.487 -11.906 -6.143 1.00 0.00 N ATOM 0 H LYS A 32 101.543 -13.581 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 32 100.674 -11.657 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.509 -13.429 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.068 -12.932 -2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 32 98.275 -11.393 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.772 -10.492 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.365 -10.215 -4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.146 -10.857 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 32 101.520 -12.925 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 32 99.964 -12.945 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 101.775 -12.750 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 100.818 -11.348 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 102.326 -11.329 -5.930 1.00 0.00 H new ATOM 549 N ILE A 33 99.508 -11.852 0.963 1.00 0.00 N ATOM 550 CA ILE A 33 98.655 -11.368 2.088 1.00 0.00 C ATOM 551 C ILE A 33 99.174 -10.019 2.566 1.00 0.00 C ATOM 552 O ILE A 33 100.292 -9.908 3.021 1.00 0.00 O ATOM 553 CB ILE A 33 98.707 -12.342 3.256 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.207 -13.714 2.803 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.817 -11.803 4.378 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.340 -14.449 2.086 1.00 0.00 C ATOM 0 H ILE A 33 100.467 -12.094 1.213 1.00 0.00 H new ATOM 0 HA ILE A 33 97.628 -11.283 1.732 1.00 0.00 H new ATOM 0 HB ILE A 33 99.731 -12.445 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.868 -14.293 3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.352 -13.601 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.842 -12.490 5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.181 -10.825 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.793 -11.710 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.990 -15.428 1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.657 -13.870 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.182 -14.573 2.767 1.00 0.00 H new ATOM 568 N PHE A 34 98.378 -8.993 2.485 1.00 0.00 N ATOM 569 CA PHE A 34 98.865 -7.670 2.952 1.00 0.00 C ATOM 570 C PHE A 34 97.891 -7.080 3.968 1.00 0.00 C ATOM 571 O PHE A 34 96.694 -7.058 3.762 1.00 0.00 O ATOM 572 CB PHE A 34 99.017 -6.719 1.760 1.00 0.00 C ATOM 573 CG PHE A 34 97.659 -6.251 1.286 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.986 -5.238 1.981 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.079 -6.817 0.144 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.736 -4.795 1.538 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.829 -6.372 -0.300 1.00 0.00 C ATOM 578 CZ PHE A 34 95.157 -5.361 0.396 1.00 0.00 C ATOM 0 H PHE A 34 97.425 -9.011 2.121 1.00 0.00 H new ATOM 0 HA PHE A 34 99.836 -7.800 3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.626 -5.861 2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.539 -7.224 0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.433 -4.799 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.597 -7.597 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.217 -4.016 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.382 -6.809 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.192 -5.018 0.052 1.00 0.00 H new ATOM 588 N GLN A 35 98.402 -6.598 5.069 1.00 0.00 N ATOM 589 CA GLN A 35 97.512 -6.005 6.098 1.00 0.00 C ATOM 590 C GLN A 35 97.713 -4.495 6.124 1.00 0.00 C ATOM 591 O GLN A 35 98.825 -4.004 6.111 1.00 0.00 O ATOM 592 CB GLN A 35 97.822 -6.624 7.476 1.00 0.00 C ATOM 593 CG GLN A 35 98.667 -5.676 8.341 1.00 0.00 C ATOM 594 CD GLN A 35 99.116 -6.402 9.613 1.00 0.00 C ATOM 595 OE1 GLN A 35 98.936 -7.597 9.739 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.698 -5.727 10.566 1.00 0.00 N ATOM 0 H GLN A 35 99.396 -6.591 5.297 1.00 0.00 H new ATOM 0 HA GLN A 35 96.471 -6.217 5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.889 -6.854 7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 35 98.353 -7.566 7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.536 -5.334 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 35 98.087 -4.791 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 35 99.850 -4.724 10.461 1.00 0.00 H new ATOM 0 HE22 GLN A 35 100.001 -6.203 11.416 1.00 0.00 H new ATOM 605 N ILE A 36 96.647 -3.760 6.171 1.00 0.00 N ATOM 606 CA ILE A 36 96.767 -2.282 6.211 1.00 0.00 C ATOM 607 C ILE A 36 96.323 -1.820 7.605 1.00 0.00 C ATOM 608 O ILE A 36 95.547 -2.501 8.241 1.00 0.00 O ATOM 609 CB ILE A 36 95.857 -1.701 5.114 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.588 -1.745 3.773 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.465 -0.252 5.419 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.588 -1.468 2.650 1.00 0.00 C ATOM 0 H ILE A 36 95.692 -4.119 6.184 1.00 0.00 H new ATOM 0 HA ILE A 36 97.788 -1.945 6.032 1.00 0.00 H new ATOM 0 HB ILE A 36 94.949 -2.303 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.388 -1.004 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 36 97.054 -2.720 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.823 0.126 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 36 94.930 -0.212 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.363 0.362 5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 36 96.102 -1.498 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.804 -2.225 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.144 -0.483 2.793 1.00 0.00 H new ATOM 624 N PRO A 37 96.837 -0.693 8.047 1.00 0.00 N ATOM 625 CA PRO A 37 96.496 -0.123 9.369 1.00 0.00 C ATOM 626 C PRO A 37 95.191 0.682 9.294 1.00 0.00 C ATOM 627 O PRO A 37 94.382 0.642 10.198 1.00 0.00 O ATOM 628 CB PRO A 37 97.673 0.793 9.675 1.00 0.00 C ATOM 629 CG PRO A 37 98.318 1.151 8.312 1.00 0.00 C ATOM 630 CD PRO A 37 97.827 0.102 7.294 1.00 0.00 C ATOM 0 HA PRO A 37 96.338 -0.885 10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.340 1.692 10.195 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.392 0.296 10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.030 2.155 8.001 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.406 1.139 8.385 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.378 0.574 6.420 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.647 -0.519 6.935 1.00 0.00 H new ATOM 638 N TRP A 38 94.957 1.388 8.216 1.00 0.00 N ATOM 639 CA TRP A 38 93.679 2.153 8.099 1.00 0.00 C ATOM 640 C TRP A 38 93.636 3.256 9.155 1.00 0.00 C ATOM 641 O TRP A 38 92.612 3.518 9.753 1.00 0.00 O ATOM 642 CB TRP A 38 92.528 1.180 8.312 1.00 0.00 C ATOM 643 CG TRP A 38 92.799 0.005 7.446 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.602 -1.024 7.767 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.325 -0.250 6.105 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.653 -1.900 6.699 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.875 -1.466 5.650 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.477 0.451 5.252 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.593 -1.966 4.382 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.185 -0.035 3.979 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.743 -1.245 3.537 1.00 0.00 C ATOM 0 H TRP A 38 95.589 1.467 7.419 1.00 0.00 H new ATOM 0 HA TRP A 38 93.602 2.617 7.116 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.461 0.883 9.358 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.576 1.643 8.050 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.122 -1.146 8.706 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.199 -2.761 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.040 1.382 5.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 93.025 -2.900 4.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.526 0.522 3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.517 -1.618 2.549 1.00 0.00 H new ATOM 865 N ALA A 52 97.365 10.685 3.690 1.00 0.00 N ATOM 866 CA ALA A 52 97.201 11.324 2.353 1.00 0.00 C ATOM 867 C ALA A 52 98.399 11.114 1.379 1.00 0.00 C ATOM 868 O ALA A 52 98.432 11.786 0.369 1.00 0.00 O ATOM 869 CB ALA A 52 96.981 12.822 2.551 1.00 0.00 C ATOM 0 HA ALA A 52 96.345 10.837 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 52 96.859 13.303 1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 52 96.085 12.982 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 52 97.842 13.252 3.064 1.00 0.00 H new ATOM 875 N PRO A 53 99.350 10.225 1.645 1.00 0.00 N ATOM 876 CA PRO A 53 100.474 10.035 0.709 1.00 0.00 C ATOM 877 C PRO A 53 100.007 9.190 -0.476 1.00 0.00 C ATOM 878 O PRO A 53 100.181 9.558 -1.622 1.00 0.00 O ATOM 879 CB PRO A 53 101.534 9.311 1.541 1.00 0.00 C ATOM 880 CG PRO A 53 100.783 8.636 2.708 1.00 0.00 C ATOM 881 CD PRO A 53 99.421 9.345 2.830 1.00 0.00 C ATOM 0 HA PRO A 53 100.862 10.964 0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.062 8.571 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.281 10.012 1.913 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.649 7.571 2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 53 101.349 8.725 3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 53 98.600 8.628 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 53 99.354 9.919 3.754 1.00 0.00 H new ATOM 889 N LEU A 54 99.380 8.078 -0.210 1.00 0.00 N ATOM 890 CA LEU A 54 98.864 7.234 -1.323 1.00 0.00 C ATOM 891 C LEU A 54 97.522 7.824 -1.708 1.00 0.00 C ATOM 892 O LEU A 54 97.216 8.073 -2.854 1.00 0.00 O ATOM 893 CB LEU A 54 98.622 5.794 -0.852 1.00 0.00 C ATOM 894 CG LEU A 54 99.897 5.115 -0.321 1.00 0.00 C ATOM 895 CD1 LEU A 54 101.002 6.131 -0.017 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.534 4.375 0.964 1.00 0.00 C ATOM 0 H LEU A 54 99.203 7.718 0.728 1.00 0.00 H new ATOM 0 HA LEU A 54 99.579 7.216 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.864 5.796 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 54 98.223 5.209 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 54 100.275 4.435 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.884 5.609 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 54 101.258 6.673 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.651 6.835 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 54 100.421 3.883 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 54 99.152 5.085 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.770 3.628 0.750 1.00 0.00 H new ATOM 908 N PHE A 55 96.731 8.062 -0.712 1.00 0.00 N ATOM 909 CA PHE A 55 95.395 8.656 -0.913 1.00 0.00 C ATOM 910 C PHE A 55 95.494 9.800 -1.928 1.00 0.00 C ATOM 911 O PHE A 55 94.539 10.129 -2.599 1.00 0.00 O ATOM 912 CB PHE A 55 94.941 9.201 0.433 1.00 0.00 C ATOM 913 CG PHE A 55 93.983 8.238 1.083 1.00 0.00 C ATOM 914 CD1 PHE A 55 94.472 7.100 1.735 1.00 0.00 C ATOM 915 CD2 PHE A 55 92.608 8.484 1.041 1.00 0.00 C ATOM 916 CE1 PHE A 55 93.585 6.209 2.343 1.00 0.00 C ATOM 917 CE2 PHE A 55 91.719 7.593 1.649 1.00 0.00 C ATOM 918 CZ PHE A 55 92.207 6.453 2.300 1.00 0.00 C ATOM 0 H PHE A 55 96.963 7.863 0.261 1.00 0.00 H new ATOM 0 HA PHE A 55 94.688 7.917 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.804 9.360 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.460 10.170 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.535 6.911 1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.232 9.363 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.962 5.331 2.847 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.656 7.784 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.521 5.763 2.768 1.00 0.00 H new ATOM 928 N ARG A 56 96.645 10.411 -2.043 1.00 0.00 N ATOM 929 CA ARG A 56 96.806 11.528 -3.018 1.00 0.00 C ATOM 930 C ARG A 56 97.042 10.939 -4.406 1.00 0.00 C ATOM 931 O ARG A 56 96.459 11.378 -5.379 1.00 0.00 O ATOM 932 CB ARG A 56 98.000 12.397 -2.614 1.00 0.00 C ATOM 933 CG ARG A 56 97.883 13.770 -3.279 1.00 0.00 C ATOM 934 CD ARG A 56 98.432 13.698 -4.706 1.00 0.00 C ATOM 935 NE ARG A 56 98.569 15.077 -5.256 1.00 0.00 N ATOM 936 CZ ARG A 56 99.321 15.294 -6.303 1.00 0.00 C ATOM 937 NH1 ARG A 56 99.958 14.305 -6.870 1.00 0.00 N ATOM 938 NH2 ARG A 56 99.434 16.503 -6.783 1.00 0.00 N ATOM 0 H ARG A 56 97.480 10.184 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 56 95.907 12.145 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.032 12.508 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.931 11.915 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.841 14.090 -3.295 1.00 0.00 H new ATOM 0 HG3 ARG A 56 98.435 14.512 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.399 13.196 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.764 13.109 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 56 98.075 15.853 -4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 56 99.869 13.360 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 56 100.544 14.477 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG A 56 98.936 17.276 -6.341 1.00 0.00 H new ATOM 0 HH22 ARG A 56 100.020 16.675 -7.600 1.00 0.00 H new ATOM 952 N ASN A 57 97.871 9.935 -4.513 1.00 0.00 N ATOM 953 CA ASN A 57 98.102 9.323 -5.849 1.00 0.00 C ATOM 954 C ASN A 57 96.737 9.084 -6.501 1.00 0.00 C ATOM 955 O ASN A 57 96.616 9.034 -7.707 1.00 0.00 O ATOM 956 CB ASN A 57 98.888 8.010 -5.702 1.00 0.00 C ATOM 957 CG ASN A 57 97.939 6.840 -5.435 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.194 6.434 -6.304 1.00 0.00 O ATOM 959 ND2 ASN A 57 97.947 6.275 -4.262 1.00 0.00 N ATOM 0 H ASN A 57 98.392 9.518 -3.742 1.00 0.00 H new ATOM 0 HA ASN A 57 98.695 9.986 -6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.462 7.820 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.604 8.098 -4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.326 5.489 -4.070 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.574 6.619 -3.535 1.00 0.00 H new ATOM 966 N TRP A 58 95.699 8.967 -5.701 1.00 0.00 N ATOM 967 CA TRP A 58 94.335 8.775 -6.268 1.00 0.00 C ATOM 968 C TRP A 58 94.150 9.795 -7.389 1.00 0.00 C ATOM 969 O TRP A 58 94.988 10.650 -7.599 1.00 0.00 O ATOM 970 CB TRP A 58 93.286 9.070 -5.188 1.00 0.00 C ATOM 971 CG TRP A 58 92.790 7.814 -4.545 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.561 7.673 -3.997 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.470 6.539 -4.354 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.443 6.398 -3.481 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.591 5.660 -3.676 1.00 0.00 C ATOM 976 CE3 TRP A 58 94.746 6.062 -4.697 1.00 0.00 C ATOM 977 CZ2 TRP A 58 92.965 4.360 -3.350 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.123 4.748 -4.369 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.235 3.900 -3.697 1.00 0.00 C ATOM 0 H TRP A 58 95.744 8.997 -4.682 1.00 0.00 H new ATOM 0 HA TRP A 58 94.221 7.753 -6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.718 9.722 -4.429 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.448 9.608 -5.631 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.796 8.435 -3.968 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.608 6.045 -3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.440 6.707 -5.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.275 3.711 -2.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.106 4.390 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 58 94.533 2.892 -3.448 1.00 0.00 H new ATOM 990 N ALA A 59 93.060 9.748 -8.093 1.00 0.00 N ATOM 991 CA ALA A 59 92.856 10.753 -9.167 1.00 0.00 C ATOM 992 C ALA A 59 93.951 10.596 -10.226 1.00 0.00 C ATOM 993 O ALA A 59 93.808 9.857 -11.179 1.00 0.00 O ATOM 994 CB ALA A 59 92.942 12.152 -8.547 1.00 0.00 C ATOM 0 H ALA A 59 92.310 9.067 -7.975 1.00 0.00 H new ATOM 0 HA ALA A 59 91.882 10.610 -9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 59 92.794 12.903 -9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.170 12.260 -7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 59 93.923 12.289 -8.092 1.00 0.00 H new ATOM 1000 N ILE A 60 95.046 11.289 -10.062 1.00 0.00 N ATOM 1001 CA ILE A 60 96.156 11.189 -11.050 1.00 0.00 C ATOM 1002 C ILE A 60 96.416 9.721 -11.395 1.00 0.00 C ATOM 1003 O ILE A 60 96.867 9.398 -12.476 1.00 0.00 O ATOM 1004 CB ILE A 60 97.424 11.799 -10.445 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.075 13.119 -9.753 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.444 12.061 -11.553 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.221 12.961 -8.238 1.00 0.00 C ATOM 0 H ILE A 60 95.219 11.923 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 60 95.881 11.727 -11.957 1.00 0.00 H new ATOM 0 HB ILE A 60 97.847 11.107 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.731 13.913 -10.110 1.00 0.00 H new ATOM 0 HG13 ILE A 60 96.055 13.412 -10.001 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.346 12.495 -11.122 1.00 0.00 H new ATOM 0 HG22 ILE A 60 98.694 11.122 -12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 60 98.021 12.753 -12.281 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.972 13.902 -7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 60 96.547 12.180 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 60 98.249 12.688 -7.998 1.00 0.00 H new ATOM 1019 N HIS A 61 96.145 8.830 -10.483 1.00 0.00 N ATOM 1020 CA HIS A 61 96.388 7.384 -10.755 1.00 0.00 C ATOM 1021 C HIS A 61 95.136 6.750 -11.365 1.00 0.00 C ATOM 1022 O HIS A 61 95.070 6.505 -12.554 1.00 0.00 O ATOM 1023 CB HIS A 61 96.737 6.673 -9.447 1.00 0.00 C ATOM 1024 CG HIS A 61 97.105 5.244 -9.736 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.371 4.880 -10.168 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.385 4.077 -9.659 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.374 3.544 -10.334 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.188 3.005 -10.036 1.00 0.00 N ATOM 0 H HIS A 61 95.765 9.040 -9.560 1.00 0.00 H new ATOM 0 HA HIS A 61 97.215 7.285 -11.457 1.00 0.00 H new ATOM 0 HB2 HIS A 61 97.566 7.181 -8.955 1.00 0.00 H new ATOM 0 HB3 HIS A 61 95.889 6.710 -8.763 1.00 0.00 H new ATOM 0 HD1 HIS A 61 99.157 5.510 -10.330 1.00 0.00 H new ATOM 0 HD2 HIS A 61 95.352 4.003 -9.352 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.231 2.977 -10.667 1.00 0.00 H new ATOM 1036 N THR A 62 94.144 6.476 -10.562 1.00 0.00 N ATOM 1037 CA THR A 62 92.901 5.852 -11.098 1.00 0.00 C ATOM 1038 C THR A 62 92.500 6.542 -12.402 1.00 0.00 C ATOM 1039 O THR A 62 92.386 5.916 -13.437 1.00 0.00 O ATOM 1040 CB THR A 62 91.775 6.000 -10.072 1.00 0.00 C ATOM 1041 OG1 THR A 62 91.742 7.338 -9.595 1.00 0.00 O ATOM 1042 CG2 THR A 62 92.021 5.044 -8.904 1.00 0.00 C ATOM 0 H THR A 62 94.141 6.657 -9.558 1.00 0.00 H new ATOM 0 HA THR A 62 93.080 4.794 -11.292 1.00 0.00 H new ATOM 0 HB THR A 62 90.821 5.760 -10.541 1.00 0.00 H new ATOM 0 HG1 THR A 62 91.020 7.434 -8.939 1.00 0.00 H new ATOM 0 HG21 THR A 62 91.219 5.149 -8.173 1.00 0.00 H new ATOM 0 HG22 THR A 62 92.044 4.018 -9.272 1.00 0.00 H new ATOM 0 HG23 THR A 62 92.975 5.282 -8.433 1.00 0.00 H new ATOM 1050 N GLY A 63 92.280 7.827 -12.362 1.00 0.00 N ATOM 1051 CA GLY A 63 91.883 8.554 -13.600 1.00 0.00 C ATOM 1052 C GLY A 63 90.606 9.351 -13.331 1.00 0.00 C ATOM 1053 O GLY A 63 89.606 9.187 -14.001 1.00 0.00 O ATOM 0 H GLY A 63 92.358 8.405 -11.525 1.00 0.00 H new ATOM 0 HA2 GLY A 63 92.684 9.223 -13.915 1.00 0.00 H new ATOM 0 HA3 GLY A 63 91.720 7.847 -14.414 1.00 0.00 H new ATOM 1057 N LYS A 64 90.630 10.214 -12.353 1.00 0.00 N ATOM 1058 CA LYS A 64 89.418 11.021 -12.040 1.00 0.00 C ATOM 1059 C LYS A 64 89.822 12.470 -11.765 1.00 0.00 C ATOM 1060 O LYS A 64 89.163 13.180 -11.032 1.00 0.00 O ATOM 1061 CB LYS A 64 88.727 10.443 -10.803 1.00 0.00 C ATOM 1062 CG LYS A 64 88.502 8.942 -10.998 1.00 0.00 C ATOM 1063 CD LYS A 64 87.984 8.331 -9.694 1.00 0.00 C ATOM 1064 CE LYS A 64 88.274 6.830 -9.683 1.00 0.00 C ATOM 1065 NZ LYS A 64 87.003 6.079 -9.478 1.00 0.00 N ATOM 0 H LYS A 64 91.438 10.395 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 64 88.735 10.990 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 64 89.338 10.618 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 64 87.774 10.946 -10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 64 87.786 8.772 -11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 64 89.433 8.459 -11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.462 8.811 -8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 64 86.912 8.506 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.737 6.532 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.982 6.591 -8.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.200 5.058 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 86.579 6.356 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 86.342 6.298 -10.250 1.00 0.00 H new ATOM 1079 N HIS A 65 90.901 12.917 -12.349 1.00 0.00 N ATOM 1080 CA HIS A 65 91.345 14.321 -12.122 1.00 0.00 C ATOM 1081 C HIS A 65 92.785 14.485 -12.621 1.00 0.00 C ATOM 1082 O HIS A 65 93.478 13.524 -12.885 1.00 0.00 O ATOM 1083 CB HIS A 65 91.268 14.646 -10.621 1.00 0.00 C ATOM 1084 CG HIS A 65 92.182 15.799 -10.294 1.00 0.00 C ATOM 1085 ND1 HIS A 65 91.849 17.115 -10.577 1.00 0.00 N ATOM 1086 CD2 HIS A 65 93.431 15.842 -9.726 1.00 0.00 C ATOM 1087 CE1 HIS A 65 92.881 17.887 -10.185 1.00 0.00 C ATOM 1088 NE2 HIS A 65 93.870 17.161 -9.658 1.00 0.00 N ATOM 0 H HIS A 65 91.494 12.370 -12.973 1.00 0.00 H new ATOM 0 HA HIS A 65 90.696 15.005 -12.669 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.243 14.895 -10.347 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.550 13.771 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 65 93.988 14.983 -9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 65 92.905 18.962 -10.285 1.00 0.00 H new ATOM 0 HE2 HIS A 65 94.757 17.500 -9.286 1.00 0.00 H new ATOM 1096 N GLN A 66 93.235 15.704 -12.741 1.00 0.00 N ATOM 1097 CA GLN A 66 94.623 15.952 -13.212 1.00 0.00 C ATOM 1098 C GLN A 66 95.068 17.340 -12.741 1.00 0.00 C ATOM 1099 O GLN A 66 94.262 18.243 -12.637 1.00 0.00 O ATOM 1100 CB GLN A 66 94.662 15.896 -14.739 1.00 0.00 C ATOM 1101 CG GLN A 66 95.283 14.573 -15.189 1.00 0.00 C ATOM 1102 CD GLN A 66 95.632 14.655 -16.676 1.00 0.00 C ATOM 1103 OE1 GLN A 66 96.743 14.997 -17.034 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.725 14.355 -17.565 1.00 0.00 N ATOM 0 H GLN A 66 92.695 16.543 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 66 95.291 15.192 -12.807 1.00 0.00 H new ATOM 0 HB2 GLN A 66 93.654 15.992 -15.142 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.242 16.733 -15.129 1.00 0.00 H new ATOM 0 HG2 GLN A 66 96.179 14.362 -14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 66 94.587 13.753 -15.012 1.00 0.00 H new ATOM 0 HE21 GLN A 66 93.793 14.068 -17.266 1.00 0.00 H new ATOM 0 HE22 GLN A 66 94.948 14.407 -18.559 1.00 0.00 H new ATOM 1113 N PRO A 67 96.339 17.467 -12.469 1.00 0.00 N ATOM 1114 CA PRO A 67 96.924 18.735 -12.003 1.00 0.00 C ATOM 1115 C PRO A 67 97.091 19.708 -13.174 1.00 0.00 C ATOM 1116 O PRO A 67 97.663 19.379 -14.192 1.00 0.00 O ATOM 1117 CB PRO A 67 98.283 18.316 -11.437 1.00 0.00 C ATOM 1118 CG PRO A 67 98.637 16.966 -12.107 1.00 0.00 C ATOM 1119 CD PRO A 67 97.310 16.362 -12.600 1.00 0.00 C ATOM 0 HA PRO A 67 96.305 19.251 -11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 67 99.042 19.068 -11.653 1.00 0.00 H new ATOM 0 HB3 PRO A 67 98.237 18.212 -10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.328 17.114 -12.937 1.00 0.00 H new ATOM 0 HG3 PRO A 67 99.128 16.298 -11.399 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.387 16.020 -13.632 1.00 0.00 H new ATOM 0 HD3 PRO A 67 97.017 15.501 -12.000 1.00 0.00 H new ATOM 1127 N GLY A 68 96.589 20.906 -13.035 1.00 0.00 N ATOM 1128 CA GLY A 68 96.714 21.898 -14.140 1.00 0.00 C ATOM 1129 C GLY A 68 95.586 21.682 -15.151 1.00 0.00 C ATOM 1130 O GLY A 68 95.494 22.368 -16.149 1.00 0.00 O ATOM 0 H GLY A 68 96.099 21.239 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 68 96.669 22.911 -13.740 1.00 0.00 H new ATOM 0 HA3 GLY A 68 97.682 21.792 -14.631 1.00 0.00 H new ATOM 1134 N ILE A 69 94.724 20.733 -14.901 1.00 0.00 N ATOM 1135 CA ILE A 69 93.604 20.476 -15.849 1.00 0.00 C ATOM 1136 C ILE A 69 92.269 20.691 -15.132 1.00 0.00 C ATOM 1137 O ILE A 69 91.254 20.932 -15.753 1.00 0.00 O ATOM 1138 CB ILE A 69 93.687 19.035 -16.354 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.136 18.711 -16.721 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.799 18.874 -17.589 1.00 0.00 C ATOM 1141 CD1 ILE A 69 95.527 19.480 -17.984 1.00 0.00 C ATOM 0 H ILE A 69 94.748 20.126 -14.082 1.00 0.00 H new ATOM 0 HA ILE A 69 93.676 21.162 -16.693 1.00 0.00 H new ATOM 0 HB ILE A 69 93.347 18.354 -15.573 1.00 0.00 H new ATOM 0 HG12 ILE A 69 95.799 18.980 -15.899 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.250 17.639 -16.885 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.859 17.847 -17.949 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.767 19.108 -17.328 1.00 0.00 H new ATOM 0 HG23 ILE A 69 93.138 19.553 -18.372 1.00 0.00 H new ATOM 0 HD11 ILE A 69 96.560 19.249 -18.246 1.00 0.00 H new ATOM 0 HD12 ILE A 69 94.871 19.189 -18.805 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.429 20.550 -17.803 1.00 0.00 H new ATOM 1153 N ASP A 70 92.265 20.605 -13.830 1.00 0.00 N ATOM 1154 CA ASP A 70 90.995 20.804 -13.078 1.00 0.00 C ATOM 1155 C ASP A 70 91.310 21.004 -11.593 1.00 0.00 C ATOM 1156 O ASP A 70 92.456 21.054 -11.194 1.00 0.00 O ATOM 1157 CB ASP A 70 90.103 19.574 -13.249 1.00 0.00 C ATOM 1158 CG ASP A 70 88.855 19.958 -14.045 1.00 0.00 C ATOM 1159 OD1 ASP A 70 88.191 20.902 -13.651 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.584 19.300 -15.038 1.00 0.00 O ATOM 0 H ASP A 70 93.084 20.406 -13.256 1.00 0.00 H new ATOM 0 HA ASP A 70 90.478 21.683 -13.462 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.649 18.784 -13.766 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.818 19.179 -12.274 1.00 0.00 H new ATOM 1165 N LYS A 71 90.301 21.121 -10.773 1.00 0.00 N ATOM 1166 CA LYS A 71 90.545 21.319 -9.318 1.00 0.00 C ATOM 1167 C LYS A 71 90.631 19.955 -8.622 1.00 0.00 C ATOM 1168 O LYS A 71 89.888 19.050 -8.948 1.00 0.00 O ATOM 1169 CB LYS A 71 89.392 22.124 -8.716 1.00 0.00 C ATOM 1170 CG LYS A 71 89.949 23.332 -7.959 1.00 0.00 C ATOM 1171 CD LYS A 71 88.807 24.297 -7.628 1.00 0.00 C ATOM 1172 CE LYS A 71 88.985 24.830 -6.205 1.00 0.00 C ATOM 1173 NZ LYS A 71 88.569 23.784 -5.229 1.00 0.00 N ATOM 0 H LYS A 71 89.319 21.088 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 71 91.482 21.858 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 71 88.717 22.456 -9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.810 21.496 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 71 90.441 23.005 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 71 90.703 23.837 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 71 88.798 25.123 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 71 87.848 23.787 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 90.026 25.107 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 71 88.388 25.731 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 88.494 24.204 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 87.646 23.395 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 89.276 23.021 -5.215 1.00 0.00 H new ATOM 1187 N PRO A 72 91.534 19.850 -7.678 1.00 0.00 N ATOM 1188 CA PRO A 72 91.740 18.609 -6.911 1.00 0.00 C ATOM 1189 C PRO A 72 90.658 18.465 -5.838 1.00 0.00 C ATOM 1190 O PRO A 72 90.477 19.331 -5.006 1.00 0.00 O ATOM 1191 CB PRO A 72 93.119 18.806 -6.275 1.00 0.00 C ATOM 1192 CG PRO A 72 93.368 20.332 -6.238 1.00 0.00 C ATOM 1193 CD PRO A 72 92.432 20.956 -7.290 1.00 0.00 C ATOM 0 HA PRO A 72 91.685 17.709 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 72 93.148 18.383 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.890 18.300 -6.856 1.00 0.00 H new ATOM 0 HG2 PRO A 72 93.160 20.735 -5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.410 20.560 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.874 21.796 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.991 21.334 -8.146 1.00 0.00 H new ATOM 1201 N ASP A 73 89.934 17.378 -5.852 1.00 0.00 N ATOM 1202 CA ASP A 73 88.861 17.184 -4.834 1.00 0.00 C ATOM 1203 C ASP A 73 89.187 15.960 -3.969 1.00 0.00 C ATOM 1204 O ASP A 73 89.006 14.838 -4.399 1.00 0.00 O ATOM 1205 CB ASP A 73 87.525 16.960 -5.546 1.00 0.00 C ATOM 1206 CG ASP A 73 86.659 18.214 -5.415 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.787 19.090 -6.256 1.00 0.00 O ATOM 1208 OD2 ASP A 73 85.881 18.279 -4.477 1.00 0.00 O ATOM 0 H ASP A 73 90.039 16.617 -6.523 1.00 0.00 H new ATOM 0 HA ASP A 73 88.797 18.068 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.696 16.732 -6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.010 16.103 -5.113 1.00 0.00 H new ATOM 1213 N PRO A 74 89.657 16.210 -2.770 1.00 0.00 N ATOM 1214 CA PRO A 74 90.013 15.142 -1.821 1.00 0.00 C ATOM 1215 C PRO A 74 88.752 14.551 -1.183 1.00 0.00 C ATOM 1216 O PRO A 74 88.787 13.498 -0.578 1.00 0.00 O ATOM 1217 CB PRO A 74 90.874 15.859 -0.776 1.00 0.00 C ATOM 1218 CG PRO A 74 90.509 17.359 -0.864 1.00 0.00 C ATOM 1219 CD PRO A 74 89.876 17.577 -2.251 1.00 0.00 C ATOM 0 HA PRO A 74 90.533 14.307 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 74 90.677 15.469 0.223 1.00 0.00 H new ATOM 0 HB3 PRO A 74 91.935 15.705 -0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 74 89.812 17.635 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 74 91.395 17.981 -0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 74 88.940 18.130 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.535 18.150 -2.904 1.00 0.00 H new ATOM 1227 N LYS A 75 87.638 15.217 -1.319 1.00 0.00 N ATOM 1228 CA LYS A 75 86.378 14.687 -0.726 1.00 0.00 C ATOM 1229 C LYS A 75 86.055 13.329 -1.353 1.00 0.00 C ATOM 1230 O LYS A 75 85.674 12.395 -0.674 1.00 0.00 O ATOM 1231 CB LYS A 75 85.232 15.663 -1.007 1.00 0.00 C ATOM 1232 CG LYS A 75 85.110 15.886 -2.517 1.00 0.00 C ATOM 1233 CD LYS A 75 84.054 16.957 -2.794 1.00 0.00 C ATOM 1234 CE LYS A 75 83.655 16.915 -4.270 1.00 0.00 C ATOM 1235 NZ LYS A 75 82.423 16.093 -4.429 1.00 0.00 N ATOM 0 H LYS A 75 87.546 16.104 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 75 86.502 14.572 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.297 15.267 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 75 85.416 16.611 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 75 86.071 16.194 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 75 84.836 14.954 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 75 83.179 16.790 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.446 17.942 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 75 83.481 17.926 -4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 75 84.465 16.494 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.152 16.065 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 82.605 15.126 -4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 81.651 16.514 -3.874 1.00 0.00 H new ATOM 1249 N THR A 76 86.206 13.214 -2.643 1.00 0.00 N ATOM 1250 CA THR A 76 85.912 11.919 -3.320 1.00 0.00 C ATOM 1251 C THR A 76 87.117 10.988 -3.178 1.00 0.00 C ATOM 1252 O THR A 76 86.983 9.821 -2.867 1.00 0.00 O ATOM 1253 CB THR A 76 85.627 12.183 -4.805 1.00 0.00 C ATOM 1254 OG1 THR A 76 84.878 11.103 -5.342 1.00 0.00 O ATOM 1255 CG2 THR A 76 86.941 12.328 -5.579 1.00 0.00 C ATOM 0 H THR A 76 86.521 13.963 -3.260 1.00 0.00 H new ATOM 0 HA THR A 76 85.042 11.449 -2.862 1.00 0.00 H new ATOM 0 HB THR A 76 85.058 13.108 -4.898 1.00 0.00 H new ATOM 0 HG1 THR A 76 84.694 11.272 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 76 86.725 12.515 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 76 87.513 13.162 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 76 87.522 11.410 -5.485 1.00 0.00 H new ATOM 1263 N TRP A 77 88.291 11.502 -3.414 1.00 0.00 N ATOM 1264 CA TRP A 77 89.519 10.663 -3.305 1.00 0.00 C ATOM 1265 C TRP A 77 89.415 9.753 -2.079 1.00 0.00 C ATOM 1266 O TRP A 77 89.963 8.669 -2.051 1.00 0.00 O ATOM 1267 CB TRP A 77 90.746 11.567 -3.166 1.00 0.00 C ATOM 1268 CG TRP A 77 90.935 12.351 -4.423 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.300 12.108 -5.593 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.804 13.498 -4.659 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.722 13.032 -6.531 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.650 13.909 -6.004 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.702 14.214 -3.846 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.359 14.993 -6.524 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.419 15.305 -4.366 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.248 15.692 -5.702 1.00 0.00 C ATOM 0 H TRP A 77 88.455 12.473 -3.679 1.00 0.00 H new ATOM 0 HA TRP A 77 89.617 10.051 -4.202 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.619 12.242 -2.320 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.632 10.966 -2.964 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.581 11.321 -5.766 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.389 13.062 -7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.841 13.923 -2.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.222 15.290 -7.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.105 15.848 -3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.803 16.530 -6.097 1.00 0.00 H new ATOM 1287 N LYS A 78 88.718 10.184 -1.064 1.00 0.00 N ATOM 1288 CA LYS A 78 88.585 9.339 0.157 1.00 0.00 C ATOM 1289 C LYS A 78 87.544 8.245 -0.088 1.00 0.00 C ATOM 1290 O LYS A 78 87.753 7.092 0.233 1.00 0.00 O ATOM 1291 CB LYS A 78 88.144 10.211 1.335 1.00 0.00 C ATOM 1292 CG LYS A 78 88.745 9.660 2.631 1.00 0.00 C ATOM 1293 CD LYS A 78 90.201 10.114 2.755 1.00 0.00 C ATOM 1294 CE LYS A 78 90.252 11.479 3.444 1.00 0.00 C ATOM 1295 NZ LYS A 78 91.607 12.075 3.272 1.00 0.00 N ATOM 0 H LYS A 78 88.236 11.082 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 78 89.546 8.878 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.467 11.240 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.056 10.226 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 88.170 10.010 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.691 8.571 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.773 9.384 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.659 10.175 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 78 89.496 12.140 3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.023 11.371 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 91.640 13.003 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 92.319 11.447 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 91.809 12.192 2.258 1.00 0.00 H new ATOM 1309 N ALA A 79 86.422 8.594 -0.656 1.00 0.00 N ATOM 1310 CA ALA A 79 85.370 7.572 -0.920 1.00 0.00 C ATOM 1311 C ALA A 79 85.849 6.610 -2.008 1.00 0.00 C ATOM 1312 O ALA A 79 85.263 5.568 -2.229 1.00 0.00 O ATOM 1313 CB ALA A 79 84.089 8.268 -1.383 1.00 0.00 C ATOM 0 H ALA A 79 86.188 9.543 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 79 85.172 7.013 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.319 7.521 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.745 8.951 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.289 8.828 -2.297 1.00 0.00 H new ATOM 1319 N ASN A 80 86.906 6.948 -2.693 1.00 0.00 N ATOM 1320 CA ASN A 80 87.414 6.050 -3.768 1.00 0.00 C ATOM 1321 C ASN A 80 88.428 5.064 -3.181 1.00 0.00 C ATOM 1322 O ASN A 80 88.832 4.120 -3.830 1.00 0.00 O ATOM 1323 CB ASN A 80 88.082 6.890 -4.859 1.00 0.00 C ATOM 1324 CG ASN A 80 87.009 7.648 -5.644 1.00 0.00 C ATOM 1325 OD1 ASN A 80 85.881 7.205 -5.734 1.00 0.00 O ATOM 1326 ND2 ASN A 80 87.312 8.777 -6.223 1.00 0.00 N ATOM 0 H ASN A 80 87.440 7.806 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 80 86.582 5.493 -4.198 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.786 7.592 -4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.653 6.248 -5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 80 86.603 9.286 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 80 88.258 9.150 -6.149 1.00 0.00 H new ATOM 1333 N PHE A 81 88.841 5.270 -1.959 1.00 0.00 N ATOM 1334 CA PHE A 81 89.825 4.336 -1.341 1.00 0.00 C ATOM 1335 C PHE A 81 89.081 3.152 -0.717 1.00 0.00 C ATOM 1336 O PHE A 81 89.459 2.010 -0.888 1.00 0.00 O ATOM 1337 CB PHE A 81 90.622 5.067 -0.260 1.00 0.00 C ATOM 1338 CG PHE A 81 92.012 4.481 -0.182 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.206 3.214 0.379 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.105 5.205 -0.673 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.493 2.669 0.449 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.393 4.660 -0.603 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.586 3.392 -0.042 1.00 0.00 C ATOM 0 H PHE A 81 88.540 6.042 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 81 90.509 3.973 -2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.676 6.131 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.121 4.973 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.362 2.656 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.955 6.183 -1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.643 1.691 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.237 5.218 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.579 2.971 0.012 1.00 0.00 H new ATOM 1353 N ARG A 82 88.024 3.415 0.003 1.00 0.00 N ATOM 1354 CA ARG A 82 87.258 2.300 0.631 1.00 0.00 C ATOM 1355 C ARG A 82 86.808 1.327 -0.457 1.00 0.00 C ATOM 1356 O ARG A 82 86.647 0.147 -0.222 1.00 0.00 O ATOM 1357 CB ARG A 82 86.029 2.862 1.352 1.00 0.00 C ATOM 1358 CG ARG A 82 85.461 1.802 2.298 1.00 0.00 C ATOM 1359 CD ARG A 82 83.991 1.548 1.958 1.00 0.00 C ATOM 1360 NE ARG A 82 83.396 0.633 2.972 1.00 0.00 N ATOM 1361 CZ ARG A 82 83.049 1.090 4.147 1.00 0.00 C ATOM 1362 NH1 ARG A 82 83.222 2.351 4.439 1.00 0.00 N ATOM 1363 NH2 ARG A 82 82.528 0.285 5.031 1.00 0.00 N ATOM 0 H ARG A 82 87.659 4.350 0.183 1.00 0.00 H new ATOM 0 HA ARG A 82 87.892 1.781 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.301 3.756 1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.273 3.159 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.031 0.877 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.554 2.135 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.444 2.490 1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.907 1.109 0.964 1.00 0.00 H new ATOM 0 HE ARG A 82 83.259 -0.353 2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 82 83.629 2.983 3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 82 82.950 2.704 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 82 82.391 -0.700 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 82 82.257 0.641 5.948 1.00 0.00 H new ATOM 1377 N CYS A 83 86.608 1.815 -1.651 1.00 0.00 N ATOM 1378 CA CYS A 83 86.174 0.920 -2.757 1.00 0.00 C ATOM 1379 C CYS A 83 87.278 -0.101 -3.037 1.00 0.00 C ATOM 1380 O CYS A 83 87.015 -1.251 -3.330 1.00 0.00 O ATOM 1381 CB CYS A 83 85.914 1.752 -4.015 1.00 0.00 C ATOM 1382 SG CYS A 83 84.871 3.171 -3.594 1.00 0.00 S ATOM 0 H CYS A 83 86.727 2.795 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 83 85.258 0.401 -2.473 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.858 2.094 -4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.426 1.141 -4.774 1.00 0.00 H new ATOM 0 HG CYS A 83 85.552 4.011 -2.873 1.00 0.00 H new ATOM 1388 N ALA A 84 88.515 0.308 -2.939 1.00 0.00 N ATOM 1389 CA ALA A 84 89.633 -0.642 -3.190 1.00 0.00 C ATOM 1390 C ALA A 84 89.430 -1.882 -2.324 1.00 0.00 C ATOM 1391 O ALA A 84 89.905 -2.957 -2.635 1.00 0.00 O ATOM 1392 CB ALA A 84 90.962 0.023 -2.830 1.00 0.00 C ATOM 0 H ALA A 84 88.797 1.258 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 84 89.649 -0.924 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.779 -0.674 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 84 91.100 0.914 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 84 90.955 0.303 -1.777 1.00 0.00 H new ATOM 1398 N MET A 85 88.716 -1.743 -1.242 1.00 0.00 N ATOM 1399 CA MET A 85 88.466 -2.912 -0.359 1.00 0.00 C ATOM 1400 C MET A 85 87.291 -3.711 -0.919 1.00 0.00 C ATOM 1401 O MET A 85 87.266 -4.925 -0.865 1.00 0.00 O ATOM 1402 CB MET A 85 88.129 -2.423 1.049 1.00 0.00 C ATOM 1403 CG MET A 85 89.369 -1.777 1.667 1.00 0.00 C ATOM 1404 SD MET A 85 89.540 -0.084 1.049 1.00 0.00 S ATOM 1405 CE MET A 85 91.252 -0.225 0.479 1.00 0.00 C ATOM 0 H MET A 85 88.295 -0.867 -0.932 1.00 0.00 H new ATOM 0 HA MET A 85 89.354 -3.543 -0.316 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.310 -1.704 1.011 1.00 0.00 H new ATOM 0 HB3 MET A 85 87.793 -3.257 1.666 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.286 -1.772 2.754 1.00 0.00 H new ATOM 0 HG3 MET A 85 90.257 -2.358 1.418 1.00 0.00 H new ATOM 0 HE1 MET A 85 91.471 0.583 -0.219 1.00 0.00 H new ATOM 0 HE2 MET A 85 91.926 -0.160 1.333 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.391 -1.184 -0.021 1.00 0.00 H new ATOM 1415 N ASN A 86 86.320 -3.040 -1.470 1.00 0.00 N ATOM 1416 CA ASN A 86 85.153 -3.761 -2.044 1.00 0.00 C ATOM 1417 C ASN A 86 85.476 -4.168 -3.483 1.00 0.00 C ATOM 1418 O ASN A 86 84.611 -4.576 -4.233 1.00 0.00 O ATOM 1419 CB ASN A 86 83.928 -2.845 -2.031 1.00 0.00 C ATOM 1420 CG ASN A 86 83.602 -2.457 -0.588 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.832 -3.124 0.074 1.00 0.00 O ATOM 1422 ND2 ASN A 86 84.160 -1.398 -0.069 1.00 0.00 N ATOM 0 H ASN A 86 86.284 -2.024 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 86 84.941 -4.650 -1.450 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.121 -1.952 -2.625 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.076 -3.351 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 86 83.950 -1.130 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 86 84.806 -0.838 -0.625 1.00 0.00 H new ATOM 1429 N SER A 87 86.720 -4.064 -3.874 1.00 0.00 N ATOM 1430 CA SER A 87 87.095 -4.448 -5.261 1.00 0.00 C ATOM 1431 C SER A 87 87.837 -5.774 -5.231 1.00 0.00 C ATOM 1432 O SER A 87 87.789 -6.478 -4.250 1.00 0.00 O ATOM 1433 CB SER A 87 87.989 -3.371 -5.877 1.00 0.00 C ATOM 1434 OG SER A 87 87.708 -3.266 -7.267 1.00 0.00 O ATOM 0 H SER A 87 87.488 -3.730 -3.292 1.00 0.00 H new ATOM 0 HA SER A 87 86.193 -4.547 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.816 -2.413 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.039 -3.622 -5.724 1.00 0.00 H new ATOM 0 HG SER A 87 88.278 -2.575 -7.665 1.00 0.00 H new ATOM 1440 N LEU A 88 88.514 -6.105 -6.306 1.00 0.00 N ATOM 1441 CA LEU A 88 89.275 -7.395 -6.388 1.00 0.00 C ATOM 1442 C LEU A 88 88.577 -8.486 -5.554 1.00 0.00 C ATOM 1443 O LEU A 88 88.639 -8.477 -4.341 1.00 0.00 O ATOM 1444 CB LEU A 88 90.705 -7.193 -5.866 1.00 0.00 C ATOM 1445 CG LEU A 88 91.010 -5.699 -5.681 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.572 -5.246 -4.285 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.515 -5.467 -5.841 1.00 0.00 C ATOM 0 H LEU A 88 88.572 -5.526 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 88 89.308 -7.711 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.828 -7.714 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.418 -7.631 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 88 90.466 -5.125 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.791 -4.186 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.501 -5.411 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.112 -5.819 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.736 -4.408 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.054 -6.045 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.828 -5.783 -6.836 1.00 0.00 H new ATOM 1459 N PRO A 89 87.935 -9.408 -6.228 1.00 0.00 N ATOM 1460 CA PRO A 89 87.205 -10.512 -5.567 1.00 0.00 C ATOM 1461 C PRO A 89 88.154 -11.554 -4.946 1.00 0.00 C ATOM 1462 O PRO A 89 87.794 -12.702 -4.778 1.00 0.00 O ATOM 1463 CB PRO A 89 86.371 -11.120 -6.699 1.00 0.00 C ATOM 1464 CG PRO A 89 87.063 -10.711 -8.019 1.00 0.00 C ATOM 1465 CD PRO A 89 87.887 -9.450 -7.704 1.00 0.00 C ATOM 0 HA PRO A 89 86.601 -10.162 -4.730 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.322 -12.205 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.346 -10.751 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.704 -11.512 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.327 -10.510 -8.797 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.887 -9.510 -8.133 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.418 -8.555 -8.113 1.00 0.00 H new ATOM 1473 N ASP A 90 89.349 -11.165 -4.584 1.00 0.00 N ATOM 1474 CA ASP A 90 90.291 -12.125 -3.955 1.00 0.00 C ATOM 1475 C ASP A 90 90.818 -11.519 -2.650 1.00 0.00 C ATOM 1476 O ASP A 90 91.597 -12.129 -1.945 1.00 0.00 O ATOM 1477 CB ASP A 90 91.466 -12.396 -4.901 1.00 0.00 C ATOM 1478 CG ASP A 90 91.713 -11.169 -5.780 1.00 0.00 C ATOM 1479 OD1 ASP A 90 92.200 -10.180 -5.258 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.412 -11.239 -6.961 1.00 0.00 O ATOM 0 H ASP A 90 89.710 -10.218 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 90 89.775 -13.063 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.362 -12.630 -4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.251 -13.264 -5.524 1.00 0.00 H new ATOM 1485 N ILE A 91 90.401 -10.319 -2.320 1.00 0.00 N ATOM 1486 CA ILE A 91 90.889 -9.687 -1.062 1.00 0.00 C ATOM 1487 C ILE A 91 90.033 -10.165 0.117 1.00 0.00 C ATOM 1488 O ILE A 91 88.820 -10.098 0.083 1.00 0.00 O ATOM 1489 CB ILE A 91 90.832 -8.145 -1.183 1.00 0.00 C ATOM 1490 CG1 ILE A 91 89.580 -7.570 -0.505 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.802 -7.726 -2.650 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.673 -6.042 -0.508 1.00 0.00 C ATOM 0 H ILE A 91 89.748 -9.757 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 91 91.925 -9.979 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 91 91.723 -7.757 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 91 88.683 -7.894 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 91 89.500 -7.941 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.762 -6.639 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.700 -8.088 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.922 -8.152 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 91 88.788 -5.623 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.564 -5.731 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.733 -5.683 -1.535 1.00 0.00 H new ATOM 1504 N GLU A 92 90.655 -10.634 1.163 1.00 0.00 N ATOM 1505 CA GLU A 92 89.875 -11.098 2.342 1.00 0.00 C ATOM 1506 C GLU A 92 90.176 -10.185 3.531 1.00 0.00 C ATOM 1507 O GLU A 92 91.174 -10.331 4.207 1.00 0.00 O ATOM 1508 CB GLU A 92 90.261 -12.539 2.685 1.00 0.00 C ATOM 1509 CG GLU A 92 89.057 -13.255 3.297 1.00 0.00 C ATOM 1510 CD GLU A 92 88.531 -14.305 2.316 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.273 -14.672 1.418 1.00 0.00 O ATOM 1512 OE2 GLU A 92 87.396 -14.723 2.477 1.00 0.00 O ATOM 0 H GLU A 92 91.668 -10.716 1.251 1.00 0.00 H new ATOM 0 HA GLU A 92 88.810 -11.063 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.592 -13.062 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 92 91.097 -12.547 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 92 89.342 -13.730 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.273 -12.535 3.530 1.00 0.00 H new ATOM 1519 N GLU A 93 89.319 -9.233 3.780 1.00 0.00 N ATOM 1520 CA GLU A 93 89.550 -8.294 4.910 1.00 0.00 C ATOM 1521 C GLU A 93 89.499 -9.043 6.244 1.00 0.00 C ATOM 1522 O GLU A 93 88.621 -9.847 6.485 1.00 0.00 O ATOM 1523 CB GLU A 93 88.470 -7.210 4.888 1.00 0.00 C ATOM 1524 CG GLU A 93 87.164 -7.766 5.464 1.00 0.00 C ATOM 1525 CD GLU A 93 86.112 -6.656 5.517 1.00 0.00 C ATOM 1526 OE1 GLU A 93 86.483 -5.530 5.803 1.00 0.00 O ATOM 1527 OE2 GLU A 93 84.955 -6.953 5.270 1.00 0.00 O ATOM 0 H GLU A 93 88.466 -9.066 3.246 1.00 0.00 H new ATOM 0 HA GLU A 93 90.535 -7.840 4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.796 -6.347 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.310 -6.864 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.806 -8.591 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.337 -8.165 6.463 1.00 0.00 H new ATOM 1534 N VAL A 94 90.433 -8.775 7.115 1.00 0.00 N ATOM 1535 CA VAL A 94 90.440 -9.456 8.438 1.00 0.00 C ATOM 1536 C VAL A 94 90.833 -8.448 9.521 1.00 0.00 C ATOM 1537 O VAL A 94 91.996 -8.270 9.829 1.00 0.00 O ATOM 1538 CB VAL A 94 91.447 -10.609 8.418 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.621 -11.160 9.834 1.00 0.00 C ATOM 1540 CG2 VAL A 94 90.929 -11.719 7.501 1.00 0.00 C ATOM 0 H VAL A 94 91.193 -8.112 6.966 1.00 0.00 H new ATOM 0 HA VAL A 94 89.447 -9.852 8.651 1.00 0.00 H new ATOM 0 HB VAL A 94 92.407 -10.247 8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.338 -11.981 9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.987 -10.370 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.662 -11.523 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 94 91.644 -12.541 7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 94 89.970 -12.080 7.872 1.00 0.00 H new ATOM 0 HG23 VAL A 94 90.803 -11.328 6.491 1.00 0.00 H new ATOM 1550 N LYS A 95 89.869 -7.783 10.098 1.00 0.00 N ATOM 1551 CA LYS A 95 90.178 -6.785 11.163 1.00 0.00 C ATOM 1552 C LYS A 95 89.677 -7.315 12.500 1.00 0.00 C ATOM 1553 O LYS A 95 89.314 -6.568 13.387 1.00 0.00 O ATOM 1554 CB LYS A 95 89.471 -5.471 10.846 1.00 0.00 C ATOM 1555 CG LYS A 95 87.962 -5.707 10.875 1.00 0.00 C ATOM 1556 CD LYS A 95 87.235 -4.367 11.004 1.00 0.00 C ATOM 1557 CE LYS A 95 86.140 -4.482 12.065 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.807 -4.289 11.427 1.00 0.00 N ATOM 0 H LYS A 95 88.879 -7.888 9.878 1.00 0.00 H new ATOM 0 HA LYS A 95 91.254 -6.618 11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.748 -4.708 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.777 -5.104 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.646 -6.217 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.701 -6.356 11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 95 87.941 -3.583 11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 95 86.800 -4.083 10.046 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.187 -5.459 12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.294 -3.735 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 84.062 -4.367 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 84.766 -3.347 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 84.662 -5.018 10.699 1.00 0.00 H new ATOM 1727 N PHE A 106 94.771 -4.291 12.597 1.00 0.00 N ATOM 1728 CA PHE A 106 94.728 -3.638 11.255 1.00 0.00 C ATOM 1729 C PHE A 106 93.759 -4.408 10.359 1.00 0.00 C ATOM 1730 O PHE A 106 93.406 -5.537 10.634 1.00 0.00 O ATOM 1731 CB PHE A 106 96.108 -3.664 10.585 1.00 0.00 C ATOM 1732 CG PHE A 106 97.185 -3.992 11.583 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.279 -5.281 12.115 1.00 0.00 C ATOM 1734 CD2 PHE A 106 98.099 -3.007 11.962 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.289 -5.585 13.031 1.00 0.00 C ATOM 1736 CE2 PHE A 106 99.111 -3.308 12.875 1.00 0.00 C ATOM 1737 CZ PHE A 106 99.208 -4.598 13.413 1.00 0.00 C ATOM 0 HA PHE A 106 94.411 -2.604 11.389 1.00 0.00 H new ATOM 0 HB2 PHE A 106 96.113 -4.402 9.783 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.313 -2.696 10.128 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.572 -6.041 11.818 1.00 0.00 H new ATOM 0 HD2 PHE A 106 98.023 -2.012 11.549 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.362 -6.580 13.445 1.00 0.00 H new ATOM 0 HE2 PHE A 106 99.819 -2.547 13.167 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.990 -4.832 14.121 1.00 0.00 H new ATOM 1747 N ARG A 107 93.365 -3.821 9.267 1.00 0.00 N ATOM 1748 CA ARG A 107 92.465 -4.531 8.323 1.00 0.00 C ATOM 1749 C ARG A 107 93.359 -5.448 7.486 1.00 0.00 C ATOM 1750 O ARG A 107 93.874 -5.065 6.448 1.00 0.00 O ATOM 1751 CB ARG A 107 91.745 -3.513 7.427 1.00 0.00 C ATOM 1752 CG ARG A 107 90.245 -3.788 7.388 1.00 0.00 C ATOM 1753 CD ARG A 107 89.543 -2.671 6.611 1.00 0.00 C ATOM 1754 NE ARG A 107 88.898 -1.730 7.570 1.00 0.00 N ATOM 1755 CZ ARG A 107 88.537 -0.537 7.178 1.00 0.00 C ATOM 1756 NH1 ARG A 107 88.737 -0.162 5.942 1.00 0.00 N ATOM 1757 NH2 ARG A 107 87.980 0.285 8.026 1.00 0.00 N ATOM 0 H ARG A 107 93.629 -2.876 8.987 1.00 0.00 H new ATOM 0 HA ARG A 107 91.701 -5.105 8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.924 -2.504 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.154 -3.558 6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 107 90.053 -4.751 6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.848 -3.846 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 107 90.262 -2.138 5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.795 -3.094 5.941 1.00 0.00 H new ATOM 0 HE ARG A 107 88.738 -2.018 8.535 1.00 0.00 H new ATOM 0 HH11 ARG A 107 89.176 -0.801 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 107 88.454 0.770 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 107 87.828 -0.005 8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 107 87.697 1.217 7.722 1.00 0.00 H new ATOM 1771 N VAL A 108 93.592 -6.638 7.966 1.00 0.00 N ATOM 1772 CA VAL A 108 94.486 -7.578 7.241 1.00 0.00 C ATOM 1773 C VAL A 108 93.774 -8.125 6.007 1.00 0.00 C ATOM 1774 O VAL A 108 92.866 -8.926 6.103 1.00 0.00 O ATOM 1775 CB VAL A 108 94.874 -8.714 8.183 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.119 -9.423 7.653 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.180 -8.129 9.560 1.00 0.00 C ATOM 0 H VAL A 108 93.198 -7.000 8.835 1.00 0.00 H new ATOM 0 HA VAL A 108 95.386 -7.058 6.913 1.00 0.00 H new ATOM 0 HB VAL A 108 94.054 -9.429 8.250 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.392 -10.233 8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.912 -9.830 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.943 -8.712 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.459 -8.932 10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.003 -7.419 9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.297 -7.618 9.943 1.00 0.00 H new ATOM 1787 N TYR A 109 94.177 -7.688 4.845 1.00 0.00 N ATOM 1788 CA TYR A 109 93.519 -8.168 3.600 1.00 0.00 C ATOM 1789 C TYR A 109 94.316 -9.326 2.996 1.00 0.00 C ATOM 1790 O TYR A 109 95.518 -9.250 2.822 1.00 0.00 O ATOM 1791 CB TYR A 109 93.446 -7.018 2.594 1.00 0.00 C ATOM 1792 CG TYR A 109 92.156 -6.263 2.797 1.00 0.00 C ATOM 1793 CD1 TYR A 109 90.992 -6.696 2.158 1.00 0.00 C ATOM 1794 CD2 TYR A 109 92.123 -5.136 3.627 1.00 0.00 C ATOM 1795 CE1 TYR A 109 89.792 -6.005 2.347 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.921 -4.443 3.817 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.754 -4.878 3.178 1.00 0.00 C ATOM 1798 OH TYR A 109 88.570 -4.196 3.366 1.00 0.00 O ATOM 0 H TYR A 109 94.934 -7.019 4.706 1.00 0.00 H new ATOM 0 HA TYR A 109 92.514 -8.517 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.297 -6.350 2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.499 -7.405 1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 109 91.019 -7.565 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 109 93.024 -4.801 4.120 1.00 0.00 H new ATOM 0 HE1 TYR A 109 88.893 -6.340 1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.894 -3.573 4.456 1.00 0.00 H new ATOM 0 HH TYR A 109 88.170 -4.464 4.220 1.00 0.00 H new ATOM 1808 N ARG A 110 93.650 -10.400 2.668 1.00 0.00 N ATOM 1809 CA ARG A 110 94.353 -11.566 2.069 1.00 0.00 C ATOM 1810 C ARG A 110 94.060 -11.617 0.567 1.00 0.00 C ATOM 1811 O ARG A 110 92.951 -11.885 0.152 1.00 0.00 O ATOM 1812 CB ARG A 110 93.856 -12.854 2.729 1.00 0.00 C ATOM 1813 CG ARG A 110 94.932 -13.399 3.670 1.00 0.00 C ATOM 1814 CD ARG A 110 94.358 -14.568 4.472 1.00 0.00 C ATOM 1815 NE ARG A 110 94.604 -14.345 5.924 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.987 -15.077 6.812 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.153 -16.007 6.430 1.00 0.00 N ATOM 1818 NH2 ARG A 110 94.206 -14.881 8.083 1.00 0.00 N ATOM 0 H ARG A 110 92.644 -10.519 2.791 1.00 0.00 H new ATOM 0 HA ARG A 110 95.427 -11.467 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.938 -12.659 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.616 -13.595 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.800 -13.727 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.273 -12.613 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 110 93.288 -14.661 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.820 -15.502 4.154 1.00 0.00 H new ATOM 0 HE ARG A 110 95.255 -13.620 6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 110 92.983 -16.163 5.436 1.00 0.00 H new ATOM 0 HH12 ARG A 110 92.672 -16.578 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 110 94.859 -14.157 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 110 93.725 -15.452 8.777 1.00 0.00 H new ATOM 1832 N MET A 111 95.044 -11.358 -0.248 1.00 0.00 N ATOM 1833 CA MET A 111 94.819 -11.386 -1.721 1.00 0.00 C ATOM 1834 C MET A 111 94.974 -12.820 -2.235 1.00 0.00 C ATOM 1835 O MET A 111 95.969 -13.170 -2.839 1.00 0.00 O ATOM 1836 CB MET A 111 95.845 -10.485 -2.412 1.00 0.00 C ATOM 1837 CG MET A 111 95.317 -9.050 -2.455 1.00 0.00 C ATOM 1838 SD MET A 111 94.990 -8.579 -4.171 1.00 0.00 S ATOM 1839 CE MET A 111 96.534 -7.681 -4.458 1.00 0.00 C ATOM 0 H MET A 111 95.995 -11.128 0.042 1.00 0.00 H new ATOM 0 HA MET A 111 93.813 -11.027 -1.940 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.794 -10.519 -1.876 1.00 0.00 H new ATOM 0 HB3 MET A 111 96.037 -10.844 -3.423 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.405 -8.969 -1.864 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.045 -8.370 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.546 -7.295 -5.477 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.608 -6.851 -3.755 1.00 0.00 H new ATOM 0 HE3 MET A 111 97.379 -8.355 -4.315 1.00 0.00 H new ATOM 1849 N LEU A 112 93.994 -13.653 -2.002 1.00 0.00 N ATOM 1850 CA LEU A 112 94.084 -15.063 -2.477 1.00 0.00 C ATOM 1851 C LEU A 112 94.356 -15.076 -3.985 1.00 0.00 C ATOM 1852 O LEU A 112 94.128 -14.094 -4.663 1.00 0.00 O ATOM 1853 CB LEU A 112 92.764 -15.782 -2.191 1.00 0.00 C ATOM 1854 CG LEU A 112 91.610 -15.000 -2.821 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.964 -15.844 -3.921 1.00 0.00 C ATOM 1856 CD2 LEU A 112 90.570 -14.679 -1.746 1.00 0.00 C ATOM 0 H LEU A 112 93.136 -13.417 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 112 94.895 -15.572 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.794 -16.794 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.612 -15.872 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 112 91.988 -14.072 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.141 -15.288 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 112 91.706 -16.076 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.583 -16.771 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 112 89.746 -14.122 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 112 90.191 -15.607 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 112 91.031 -14.079 -0.961 1.00 0.00 H new ATOM 1868 N PRO A 113 94.843 -16.194 -4.465 1.00 0.00 N ATOM 1869 CA PRO A 113 95.162 -16.373 -5.889 1.00 0.00 C ATOM 1870 C PRO A 113 93.890 -16.648 -6.696 1.00 0.00 C ATOM 1871 O PRO A 113 93.768 -16.096 -7.776 1.00 0.00 O ATOM 1872 CB PRO A 113 96.089 -17.585 -5.903 1.00 0.00 C ATOM 1873 CG PRO A 113 95.807 -18.363 -4.602 1.00 0.00 C ATOM 1874 CD PRO A 113 95.120 -17.381 -3.633 1.00 0.00 C ATOM 1875 OXT PRO A 113 93.062 -17.407 -6.219 1.00 0.00 O ATOM 0 HA PRO A 113 95.618 -15.490 -6.337 1.00 0.00 H new ATOM 0 HB2 PRO A 113 95.900 -18.208 -6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 113 97.133 -17.275 -5.952 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.167 -19.224 -4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 113 96.733 -18.745 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.203 -17.802 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 113 95.765 -17.136 -2.789 1.00 0.00 H new