USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 995 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 89 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 95 MET CE :methyl -109:sc= -0.113 (180deg=-0.631) USER MOD Set 2.1: A 68 ASN : amide:sc= -2.4! C(o=-1.7!,f=-2!) USER MOD Set 2.2: A 81 ASN : amide:sc= 0.705 K(o=-1.7,f=-5.5!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -170:sc= -0.159 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.422 F(o=-1.6,f=-0.42) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 142:sc= -2.45! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -13.3! C(o=-13!,f=-13!) USER MOD Single : A 31 THR OG1 : rot -66:sc= 1.01 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 42 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.63) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 86:sc= -1.71! USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 55 ASN : amide:sc= -0.576 K(o=-0.58,f=-13!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.418 F(o=-1,f=-0.42) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 165:sc= -0.0752 USER MOD Single : A 63 ASN : amide:sc= 0.0267 K(o=0.027,f=-7.8!) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0467 (180deg=-0.353) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -150:sc= 0.0197 USER MOD Single : A 87 THR OG1 : rot 69:sc= 1.04 USER MOD Single : A 90 CYS SG : rot -75:sc= 0.0578 USER MOD Single : A 92 THR OG1 : rot 70:sc= -0.0934 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -130:sc= -0.132 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -77:sc= 0.657 USER MOD Single : A 125 THR OG1 : rot -63:sc= 1.27 USER MOD Single : A 131 THR OG1 : rot -67:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 12.069 1.685 7.147 1.00 0.00 N ATOM 99 CA PRO A 10 11.544 0.711 6.186 1.00 0.00 C ATOM 100 C PRO A 10 10.722 1.371 5.083 1.00 0.00 C ATOM 101 O PRO A 10 10.805 0.982 3.918 1.00 0.00 O ATOM 102 CB PRO A 10 10.657 -0.193 7.045 1.00 0.00 C ATOM 103 CG PRO A 10 10.255 0.658 8.200 1.00 0.00 C ATOM 104 CD PRO A 10 11.417 1.575 8.463 1.00 0.00 C ATOM 0 HA PRO A 10 12.342 0.179 5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.787 -0.540 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.198 -1.080 7.376 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.354 1.226 7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.033 0.048 9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.087 2.547 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.092 1.163 9.213 1.00 0.00 H new ATOM 112 N TRP A 11 9.932 2.369 5.458 1.00 0.00 N ATOM 113 CA TRP A 11 9.095 3.083 4.500 1.00 0.00 C ATOM 114 C TRP A 11 9.946 3.743 3.420 1.00 0.00 C ATOM 115 O TRP A 11 9.516 3.882 2.275 1.00 0.00 O ATOM 116 CB TRP A 11 8.249 4.137 5.216 1.00 0.00 C ATOM 117 CG TRP A 11 8.989 5.414 5.479 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.626 5.769 6.634 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.167 6.505 4.569 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.189 7.015 6.496 1.00 0.00 N ATOM 121 CE2 TRP A 11 9.922 7.487 5.238 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.763 6.746 3.253 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.279 8.691 4.636 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.118 7.941 2.656 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.870 8.901 3.347 1.00 0.00 C ATOM 0 H TRP A 11 9.853 2.703 6.418 1.00 0.00 H new ATOM 0 HA TRP A 11 8.433 2.360 4.023 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.366 4.354 4.614 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.897 3.728 6.163 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.679 5.160 7.524 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.720 7.508 7.214 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.184 6.012 2.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.858 9.432 5.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.811 8.138 1.640 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.132 9.825 2.852 1.00 0.00 H new ATOM 136 N LYS A 12 11.155 4.149 3.792 1.00 0.00 N ATOM 137 CA LYS A 12 12.068 4.794 2.856 1.00 0.00 C ATOM 138 C LYS A 12 12.245 3.948 1.599 1.00 0.00 C ATOM 139 O LYS A 12 11.805 4.331 0.515 1.00 0.00 O ATOM 140 CB LYS A 12 13.427 5.033 3.518 1.00 0.00 C ATOM 141 CG LYS A 12 13.331 5.704 4.877 1.00 0.00 C ATOM 142 CD LYS A 12 14.505 6.637 5.122 1.00 0.00 C ATOM 143 CE LYS A 12 14.099 7.831 5.974 1.00 0.00 C ATOM 144 NZ LYS A 12 15.264 8.699 6.302 1.00 0.00 N ATOM 0 H LYS A 12 11.526 4.043 4.736 1.00 0.00 H new ATOM 0 HA LYS A 12 11.637 5.753 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.941 4.078 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.039 5.650 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.399 6.266 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.300 4.944 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.308 6.091 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.899 6.987 4.168 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.347 8.416 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.637 7.479 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.947 9.501 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.970 8.147 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.690 9.056 5.423 1.00 0.00 H new ATOM 158 N GLN A 13 12.891 2.796 1.752 1.00 0.00 N ATOM 159 CA GLN A 13 13.124 1.896 0.629 1.00 0.00 C ATOM 160 C GLN A 13 11.810 1.511 -0.043 1.00 0.00 C ATOM 161 O GLN A 13 11.725 1.448 -1.269 1.00 0.00 O ATOM 162 CB GLN A 13 13.858 0.639 1.100 1.00 0.00 C ATOM 163 CG GLN A 13 13.100 -0.148 2.157 1.00 0.00 C ATOM 164 CD GLN A 13 13.979 -1.146 2.883 1.00 0.00 C ATOM 165 OE1 GLN A 13 14.213 -2.253 2.398 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.472 -0.760 4.054 1.00 0.00 N ATOM 0 H GLN A 13 13.262 2.464 2.642 1.00 0.00 H new ATOM 0 HA GLN A 13 13.743 2.418 -0.100 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.043 -0.007 0.242 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.831 0.925 1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.669 0.544 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.270 -0.675 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.253 0.167 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.070 -1.390 4.588 1.00 0.00 H new ATOM 175 N CYS A 14 10.790 1.255 0.769 1.00 0.00 N ATOM 176 CA CYS A 14 9.480 0.875 0.252 1.00 0.00 C ATOM 177 C CYS A 14 9.068 1.779 -0.904 1.00 0.00 C ATOM 178 O CYS A 14 8.550 1.311 -1.918 1.00 0.00 O ATOM 179 CB CYS A 14 8.432 0.940 1.365 1.00 0.00 C ATOM 180 SG CYS A 14 6.754 0.543 0.822 1.00 0.00 S ATOM 0 H CYS A 14 10.845 1.304 1.786 1.00 0.00 H new ATOM 0 HA CYS A 14 9.545 -0.148 -0.117 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.718 0.251 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.436 1.942 1.795 1.00 0.00 H new ATOM 0 HG CYS A 14 5.912 0.826 1.772 1.00 0.00 H new ATOM 186 N ALA A 15 9.300 3.078 -0.745 1.00 0.00 N ATOM 187 CA ALA A 15 8.954 4.048 -1.776 1.00 0.00 C ATOM 188 C ALA A 15 9.409 3.574 -3.152 1.00 0.00 C ATOM 189 O ALA A 15 8.670 3.680 -4.130 1.00 0.00 O ATOM 190 CB ALA A 15 9.566 5.403 -1.453 1.00 0.00 C ATOM 0 H ALA A 15 9.726 3.483 0.089 1.00 0.00 H new ATOM 0 HA ALA A 15 7.869 4.147 -1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.299 6.118 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.187 5.754 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.651 5.310 -1.403 1.00 0.00 H new ATOM 196 N GLN A 16 10.630 3.052 -3.218 1.00 0.00 N ATOM 197 CA GLN A 16 11.183 2.563 -4.475 1.00 0.00 C ATOM 198 C GLN A 16 10.263 1.524 -5.108 1.00 0.00 C ATOM 199 O GLN A 16 9.733 1.732 -6.199 1.00 0.00 O ATOM 200 CB GLN A 16 12.571 1.961 -4.246 1.00 0.00 C ATOM 201 CG GLN A 16 13.618 2.984 -3.839 1.00 0.00 C ATOM 202 CD GLN A 16 13.873 4.020 -4.916 1.00 0.00 C ATOM 203 OE1 GLN A 16 13.040 5.054 -4.952 1.00 0.00 O flip ATOM 204 NE2 GLN A 16 14.807 3.893 -5.707 1.00 0.00 N flip ATOM 0 H GLN A 16 11.254 2.957 -2.417 1.00 0.00 H new ATOM 0 HA GLN A 16 11.269 3.408 -5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.503 1.196 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.897 1.463 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.295 3.486 -2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.551 2.470 -3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.423 3.082 -5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.965 4.598 -6.427 1.00 0.00 H new ATOM 213 N TRP A 17 10.079 0.405 -4.416 1.00 0.00 N ATOM 214 CA TRP A 17 9.223 -0.667 -4.910 1.00 0.00 C ATOM 215 C TRP A 17 7.967 -0.103 -5.566 1.00 0.00 C ATOM 216 O TRP A 17 7.567 -0.542 -6.644 1.00 0.00 O ATOM 217 CB TRP A 17 8.837 -1.608 -3.768 1.00 0.00 C ATOM 218 CG TRP A 17 8.014 -2.778 -4.214 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.428 -3.826 -4.985 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.634 -3.017 -3.917 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.389 -4.702 -5.186 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.278 -4.230 -4.540 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.665 -2.327 -3.183 1.00 0.00 C ATOM 224 CZ2 TRP A 17 4.995 -4.763 -4.452 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.392 -2.858 -3.097 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.066 -4.066 -3.727 1.00 0.00 C ATOM 0 H TRP A 17 10.511 0.217 -3.511 1.00 0.00 H new ATOM 0 HA TRP A 17 9.782 -1.227 -5.660 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.744 -1.974 -3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.281 -1.047 -3.017 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.426 -3.948 -5.379 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.437 -5.564 -5.729 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.907 -1.396 -2.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.741 -5.693 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.635 -2.332 -2.534 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.062 -4.455 -3.639 1.00 0.00 H new ATOM 237 N LEU A 18 7.349 0.873 -4.908 1.00 0.00 N ATOM 238 CA LEU A 18 6.138 1.498 -5.428 1.00 0.00 C ATOM 239 C LEU A 18 6.387 2.108 -6.804 1.00 0.00 C ATOM 240 O LEU A 18 5.660 1.829 -7.758 1.00 0.00 O ATOM 241 CB LEU A 18 5.642 2.575 -4.462 1.00 0.00 C ATOM 242 CG LEU A 18 5.156 2.083 -3.099 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.229 3.200 -2.070 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.738 1.541 -3.202 1.00 0.00 C ATOM 0 H LEU A 18 7.667 1.248 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 18 5.374 0.727 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.449 3.290 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.827 3.117 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 18 5.810 1.274 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.879 2.830 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.260 3.541 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.600 4.031 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.409 1.195 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.072 2.330 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.717 0.709 -3.906 1.00 0.00 H new ATOM 256 N ILE A 19 7.420 2.939 -6.899 1.00 0.00 N ATOM 257 CA ILE A 19 7.766 3.585 -8.158 1.00 0.00 C ATOM 258 C ILE A 19 7.925 2.560 -9.276 1.00 0.00 C ATOM 259 O ILE A 19 7.511 2.795 -10.412 1.00 0.00 O ATOM 260 CB ILE A 19 9.068 4.398 -8.034 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.944 5.431 -6.912 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.395 5.079 -9.355 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.270 6.021 -6.485 1.00 0.00 C ATOM 0 H ILE A 19 8.031 3.180 -6.119 1.00 0.00 H new ATOM 0 HA ILE A 19 6.946 4.261 -8.402 1.00 0.00 H new ATOM 0 HB ILE A 19 9.883 3.717 -7.787 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.286 6.236 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.469 4.964 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.318 5.650 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.520 4.325 -10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.582 5.751 -9.629 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.106 6.745 -5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.923 5.226 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.738 6.518 -7.335 1.00 0.00 H new ATOM 275 N HIS A 20 8.527 1.421 -8.947 1.00 0.00 N ATOM 276 CA HIS A 20 8.738 0.358 -9.923 1.00 0.00 C ATOM 277 C HIS A 20 7.430 -0.363 -10.233 1.00 0.00 C ATOM 278 O HIS A 20 7.172 -0.736 -11.378 1.00 0.00 O ATOM 279 CB HIS A 20 9.773 -0.641 -9.404 1.00 0.00 C ATOM 280 CG HIS A 20 11.187 -0.249 -9.707 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.872 -0.700 -10.815 1.00 0.00 N ATOM 282 CD2 HIS A 20 12.045 0.557 -9.039 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.090 -0.189 -10.815 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.221 0.578 -9.748 1.00 0.00 N ATOM 0 H HIS A 20 8.877 1.211 -8.012 1.00 0.00 H new ATOM 0 HA HIS A 20 9.109 0.811 -10.842 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.657 -0.745 -8.325 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.574 -1.619 -9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.842 1.085 -8.119 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.850 -0.368 -11.561 1.00 0.00 H new ATOM 0 HE2 HIS A 20 14.059 1.101 -9.492 1.00 0.00 H new ATOM 293 N CYS A 21 6.609 -0.556 -9.207 1.00 0.00 N ATOM 294 CA CYS A 21 5.327 -1.234 -9.370 1.00 0.00 C ATOM 295 C CYS A 21 4.387 -0.414 -10.248 1.00 0.00 C ATOM 296 O CYS A 21 3.294 -0.863 -10.594 1.00 0.00 O ATOM 297 CB CYS A 21 4.682 -1.485 -8.007 1.00 0.00 C ATOM 298 SG CYS A 21 5.449 -2.823 -7.063 1.00 0.00 S ATOM 0 H CYS A 21 6.808 -0.253 -8.254 1.00 0.00 H new ATOM 0 HA CYS A 21 5.509 -2.191 -9.859 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.729 -0.568 -7.420 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.627 -1.716 -8.153 1.00 0.00 H new ATOM 0 HG CYS A 21 5.489 -2.499 -5.805 1.00 0.00 H new ATOM 304 N LYS A 22 4.819 0.790 -10.605 1.00 0.00 N ATOM 305 CA LYS A 22 4.016 1.674 -11.443 1.00 0.00 C ATOM 306 C LYS A 22 2.836 2.241 -10.661 1.00 0.00 C ATOM 307 O LYS A 22 1.690 2.162 -11.103 1.00 0.00 O ATOM 308 CB LYS A 22 3.511 0.922 -12.676 1.00 0.00 C ATOM 309 CG LYS A 22 4.576 0.077 -13.352 1.00 0.00 C ATOM 310 CD LYS A 22 5.552 0.936 -14.139 1.00 0.00 C ATOM 311 CE LYS A 22 6.181 0.158 -15.285 1.00 0.00 C ATOM 312 NZ LYS A 22 6.650 1.058 -16.375 1.00 0.00 N ATOM 0 H LYS A 22 5.721 1.177 -10.327 1.00 0.00 H new ATOM 0 HA LYS A 22 4.648 2.502 -11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.680 0.279 -12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.120 1.642 -13.395 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.119 -0.496 -12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.102 -0.642 -14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.033 1.810 -14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.334 1.302 -13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.021 -0.426 -14.909 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.455 -0.549 -15.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.072 0.490 -17.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.844 1.597 -16.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.362 1.717 -15.999 1.00 0.00 H new ATOM 326 N VAL A 23 3.124 2.815 -9.497 1.00 0.00 N ATOM 327 CA VAL A 23 2.086 3.398 -8.654 1.00 0.00 C ATOM 328 C VAL A 23 2.430 4.834 -8.274 1.00 0.00 C ATOM 329 O VAL A 23 1.543 5.670 -8.096 1.00 0.00 O ATOM 330 CB VAL A 23 1.878 2.575 -7.370 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.121 1.291 -7.676 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.214 2.271 -6.709 1.00 0.00 C ATOM 0 H VAL A 23 4.067 2.889 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 23 1.164 3.389 -9.235 1.00 0.00 H new ATOM 0 HB VAL A 23 1.281 3.164 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.983 0.722 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.147 1.535 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.689 0.695 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.047 1.689 -5.803 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.839 1.701 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.714 3.205 -6.453 1.00 0.00 H new ATOM 342 N LEU A 24 3.722 5.115 -8.152 1.00 0.00 N ATOM 343 CA LEU A 24 4.184 6.451 -7.793 1.00 0.00 C ATOM 344 C LEU A 24 5.238 6.946 -8.778 1.00 0.00 C ATOM 345 O LEU A 24 6.009 6.169 -9.343 1.00 0.00 O ATOM 346 CB LEU A 24 4.757 6.450 -6.374 1.00 0.00 C ATOM 347 CG LEU A 24 3.743 6.290 -5.241 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.449 5.966 -3.934 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.901 7.550 -5.097 1.00 0.00 C ATOM 0 H LEU A 24 4.469 4.435 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 24 3.330 7.127 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.486 5.643 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.298 7.384 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 24 3.080 5.460 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.711 5.856 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.007 5.036 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.136 6.774 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.185 7.418 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.549 8.397 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.365 7.738 -6.027 1.00 0.00 H new ATOM 361 N PRO A 25 5.276 8.270 -8.989 1.00 0.00 N ATOM 362 CA PRO A 25 6.233 8.898 -9.905 1.00 0.00 C ATOM 363 C PRO A 25 7.663 8.843 -9.377 1.00 0.00 C ATOM 364 O PRO A 25 7.887 8.725 -8.172 1.00 0.00 O ATOM 365 CB PRO A 25 5.748 10.348 -9.984 1.00 0.00 C ATOM 366 CG PRO A 25 5.018 10.574 -8.706 1.00 0.00 C ATOM 367 CD PRO A 25 4.388 9.255 -8.350 1.00 0.00 C ATOM 0 HA PRO A 25 6.267 8.392 -10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.584 11.040 -10.090 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.096 10.501 -10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.698 10.906 -7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.261 11.350 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.339 9.111 -7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.368 9.182 -8.728 1.00 0.00 H new ATOM 375 N THR A 26 8.629 8.928 -10.287 1.00 0.00 N ATOM 376 CA THR A 26 10.036 8.887 -9.913 1.00 0.00 C ATOM 377 C THR A 26 10.426 10.117 -9.100 1.00 0.00 C ATOM 378 O THR A 26 11.343 10.067 -8.282 1.00 0.00 O ATOM 379 CB THR A 26 10.945 8.797 -11.153 1.00 0.00 C ATOM 380 OG1 THR A 26 10.846 10.001 -11.921 1.00 0.00 O ATOM 381 CG2 THR A 26 10.563 7.605 -12.018 1.00 0.00 C ATOM 0 H THR A 26 8.461 9.026 -11.288 1.00 0.00 H new ATOM 0 HA THR A 26 10.174 7.993 -9.304 1.00 0.00 H new ATOM 0 HB THR A 26 11.973 8.666 -10.814 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.428 9.937 -12.707 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.218 7.562 -12.888 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.667 6.687 -11.439 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.529 7.711 -12.348 1.00 0.00 H new ATOM 389 N ASN A 27 9.722 11.220 -9.332 1.00 0.00 N ATOM 390 CA ASN A 27 9.995 12.464 -8.620 1.00 0.00 C ATOM 391 C ASN A 27 8.918 12.740 -7.575 1.00 0.00 C ATOM 392 O ASN A 27 8.763 13.870 -7.112 1.00 0.00 O ATOM 393 CB ASN A 27 10.077 13.632 -9.605 1.00 0.00 C ATOM 394 CG ASN A 27 11.144 13.423 -10.662 1.00 0.00 C ATOM 395 OD1 ASN A 27 10.850 13.377 -11.856 1.00 0.00 O ATOM 396 ND2 ASN A 27 12.392 13.295 -10.225 1.00 0.00 N ATOM 0 H ASN A 27 8.959 11.278 -10.007 1.00 0.00 H new ATOM 0 HA ASN A 27 10.953 12.359 -8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.110 13.763 -10.090 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.287 14.551 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.153 13.152 -10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.589 13.340 -9.225 1.00 0.00 H new ATOM 403 N HIS A 28 8.177 11.700 -7.208 1.00 0.00 N ATOM 404 CA HIS A 28 7.115 11.829 -6.216 1.00 0.00 C ATOM 405 C HIS A 28 7.593 12.634 -5.011 1.00 0.00 C ATOM 406 O HIS A 28 8.779 12.936 -4.885 1.00 0.00 O ATOM 407 CB HIS A 28 6.638 10.449 -5.765 1.00 0.00 C ATOM 408 CG HIS A 28 5.229 10.438 -5.257 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.865 9.855 -4.062 1.00 0.00 N ATOM 410 CD2 HIS A 28 4.093 10.946 -5.788 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.564 10.002 -3.881 1.00 0.00 C ATOM 412 NE2 HIS A 28 3.072 10.662 -4.914 1.00 0.00 N ATOM 0 H HIS A 28 8.292 10.758 -7.582 1.00 0.00 H new ATOM 0 HA HIS A 28 6.282 12.359 -6.678 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.719 9.755 -6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.301 10.083 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.005 11.476 -6.725 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.999 9.644 -3.033 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.093 10.919 -5.042 1.00 0.00 H new ATOM 421 N ARG A 29 6.660 12.979 -4.129 1.00 0.00 N ATOM 422 CA ARG A 29 6.986 13.751 -2.935 1.00 0.00 C ATOM 423 C ARG A 29 7.633 12.864 -1.875 1.00 0.00 C ATOM 424 O ARG A 29 8.655 13.223 -1.291 1.00 0.00 O ATOM 425 CB ARG A 29 5.726 14.407 -2.367 1.00 0.00 C ATOM 426 CG ARG A 29 4.650 13.413 -1.963 1.00 0.00 C ATOM 427 CD ARG A 29 3.269 14.049 -1.983 1.00 0.00 C ATOM 428 NE ARG A 29 3.143 15.116 -0.993 1.00 0.00 N ATOM 429 CZ ARG A 29 2.063 15.878 -0.868 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.019 15.691 -1.664 1.00 0.00 N ATOM 431 NH2 ARG A 29 2.024 16.828 0.057 1.00 0.00 N ATOM 0 H ARG A 29 5.673 12.736 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 29 7.696 14.528 -3.217 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.999 15.007 -1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.316 15.091 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.669 12.559 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.862 13.032 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.069 14.451 -2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.515 13.285 -1.791 1.00 0.00 H new ATOM 0 HE ARG A 29 3.928 15.285 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.044 14.960 -2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.191 16.278 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.824 16.973 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.194 17.413 0.152 1.00 0.00 H new ATOM 445 N VAL A 30 7.029 11.706 -1.631 1.00 0.00 N ATOM 446 CA VAL A 30 7.546 10.768 -0.641 1.00 0.00 C ATOM 447 C VAL A 30 9.029 10.495 -0.865 1.00 0.00 C ATOM 448 O VAL A 30 9.776 10.246 0.083 1.00 0.00 O ATOM 449 CB VAL A 30 6.779 9.433 -0.679 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.278 9.678 -0.642 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.166 8.630 -1.912 1.00 0.00 C ATOM 0 H VAL A 30 6.181 11.394 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 30 7.408 11.231 0.336 1.00 0.00 H new ATOM 0 HB VAL A 30 7.050 8.853 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.753 8.723 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.018 10.209 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.986 10.278 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.614 7.690 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.926 9.201 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.236 8.422 -1.890 1.00 0.00 H new ATOM 461 N THR A 31 9.451 10.544 -2.124 1.00 0.00 N ATOM 462 CA THR A 31 10.845 10.302 -2.473 1.00 0.00 C ATOM 463 C THR A 31 11.774 11.240 -1.710 1.00 0.00 C ATOM 464 O THR A 31 12.802 10.817 -1.183 1.00 0.00 O ATOM 465 CB THR A 31 11.085 10.479 -3.984 1.00 0.00 C ATOM 466 OG1 THR A 31 10.930 11.855 -4.348 1.00 0.00 O ATOM 467 CG2 THR A 31 10.117 9.624 -4.789 1.00 0.00 C ATOM 0 H THR A 31 8.847 10.749 -2.920 1.00 0.00 H new ATOM 0 HA THR A 31 11.065 9.271 -2.196 1.00 0.00 H new ATOM 0 HB THR A 31 12.102 10.158 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.996 12.124 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.305 9.765 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.258 8.574 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.093 9.919 -4.559 1.00 0.00 H new ATOM 475 N TRP A 32 11.404 12.514 -1.655 1.00 0.00 N ATOM 476 CA TRP A 32 12.205 13.512 -0.955 1.00 0.00 C ATOM 477 C TRP A 32 12.550 13.043 0.454 1.00 0.00 C ATOM 478 O TRP A 32 11.758 12.359 1.102 1.00 0.00 O ATOM 479 CB TRP A 32 11.456 14.845 -0.892 1.00 0.00 C ATOM 480 CG TRP A 32 11.361 15.535 -2.219 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.705 15.089 -3.330 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.943 16.795 -2.573 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.844 15.995 -4.354 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.598 17.051 -3.914 1.00 0.00 C ATOM 485 CE3 TRP A 32 12.719 17.732 -1.887 1.00 0.00 C ATOM 486 CZ2 TRP A 32 12.005 18.204 -4.581 1.00 0.00 C ATOM 487 CZ3 TRP A 32 13.122 18.876 -2.549 1.00 0.00 C ATOM 488 CH2 TRP A 32 12.764 19.104 -3.885 1.00 0.00 C ATOM 0 H TRP A 32 10.555 12.880 -2.086 1.00 0.00 H new ATOM 0 HA TRP A 32 13.133 13.650 -1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.451 14.671 -0.508 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.959 15.503 -0.183 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.157 14.160 -3.395 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.450 15.897 -5.290 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.999 17.565 -0.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.731 18.381 -5.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 13.723 19.607 -2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 32 13.094 20.008 -4.374 1.00 0.00 H new ATOM 499 N ASP A 33 13.737 13.413 0.922 1.00 0.00 N ATOM 500 CA ASP A 33 14.186 13.031 2.256 1.00 0.00 C ATOM 501 C ASP A 33 13.321 13.684 3.329 1.00 0.00 C ATOM 502 O ASP A 33 13.176 13.155 4.431 1.00 0.00 O ATOM 503 CB ASP A 33 15.651 13.422 2.456 1.00 0.00 C ATOM 504 CG ASP A 33 16.607 12.422 1.836 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.322 11.208 1.904 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.641 12.852 1.284 1.00 0.00 O ATOM 0 H ASP A 33 14.406 13.977 0.397 1.00 0.00 H new ATOM 0 HA ASP A 33 14.091 11.949 2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.824 14.405 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.859 13.506 3.523 1.00 0.00 H new ATOM 511 N SER A 34 12.751 14.839 3.000 1.00 0.00 N ATOM 512 CA SER A 34 11.904 15.567 3.938 1.00 0.00 C ATOM 513 C SER A 34 10.652 14.764 4.276 1.00 0.00 C ATOM 514 O SER A 34 10.167 14.798 5.407 1.00 0.00 O ATOM 515 CB SER A 34 11.511 16.925 3.353 1.00 0.00 C ATOM 516 OG SER A 34 12.560 17.866 3.496 1.00 0.00 O ATOM 0 H SER A 34 12.860 15.290 2.092 1.00 0.00 H new ATOM 0 HA SER A 34 12.471 15.724 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.262 16.811 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.616 17.295 3.854 1.00 0.00 H new ATOM 0 HG SER A 34 12.284 18.725 3.113 1.00 0.00 H new ATOM 522 N ALA A 35 10.134 14.043 3.287 1.00 0.00 N ATOM 523 CA ALA A 35 8.940 13.230 3.480 1.00 0.00 C ATOM 524 C ALA A 35 9.117 12.261 4.644 1.00 0.00 C ATOM 525 O ALA A 35 10.241 11.954 5.042 1.00 0.00 O ATOM 526 CB ALA A 35 8.608 12.470 2.204 1.00 0.00 C ATOM 0 H ALA A 35 10.522 14.006 2.345 1.00 0.00 H new ATOM 0 HA ALA A 35 8.112 13.897 3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.714 11.867 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.430 13.178 1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.442 11.820 1.940 1.00 0.00 H new ATOM 532 N GLN A 36 8.001 11.783 5.185 1.00 0.00 N ATOM 533 CA GLN A 36 8.035 10.849 6.305 1.00 0.00 C ATOM 534 C GLN A 36 6.932 9.803 6.175 1.00 0.00 C ATOM 535 O GLN A 36 6.009 9.956 5.375 1.00 0.00 O ATOM 536 CB GLN A 36 7.887 11.602 7.628 1.00 0.00 C ATOM 537 CG GLN A 36 9.018 12.580 7.901 1.00 0.00 C ATOM 538 CD GLN A 36 8.691 13.554 9.016 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.939 13.232 9.936 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.256 14.753 8.940 1.00 0.00 N ATOM 0 H GLN A 36 7.063 12.027 4.867 1.00 0.00 H new ATOM 0 HA GLN A 36 8.998 10.338 6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.942 12.145 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.837 10.881 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.919 12.024 8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.239 13.137 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.873 14.977 8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.073 15.450 9.662 1.00 0.00 H new ATOM 549 N VAL A 37 7.036 8.741 6.967 1.00 0.00 N ATOM 550 CA VAL A 37 6.047 7.669 6.941 1.00 0.00 C ATOM 551 C VAL A 37 4.646 8.220 6.700 1.00 0.00 C ATOM 552 O VAL A 37 3.860 7.641 5.950 1.00 0.00 O ATOM 553 CB VAL A 37 6.052 6.869 8.257 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.259 5.944 8.314 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.034 7.809 9.452 1.00 0.00 C ATOM 0 H VAL A 37 7.794 8.599 7.634 1.00 0.00 H new ATOM 0 HA VAL A 37 6.320 7.006 6.120 1.00 0.00 H new ATOM 0 HB VAL A 37 5.152 6.256 8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.246 5.387 9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.223 5.247 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.173 6.535 8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.038 7.226 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.915 8.450 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.136 8.426 9.416 1.00 0.00 H new ATOM 565 N PHE A 38 4.339 9.344 7.340 1.00 0.00 N ATOM 566 CA PHE A 38 3.032 9.974 7.196 1.00 0.00 C ATOM 567 C PHE A 38 2.741 10.293 5.733 1.00 0.00 C ATOM 568 O PHE A 38 1.812 9.745 5.140 1.00 0.00 O ATOM 569 CB PHE A 38 2.964 11.253 8.033 1.00 0.00 C ATOM 570 CG PHE A 38 1.570 11.622 8.452 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.472 11.106 7.782 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.356 12.483 9.516 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.812 11.444 8.165 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.075 12.825 9.904 1.00 0.00 C ATOM 575 CZ PHE A 38 -1.011 12.304 9.228 1.00 0.00 C ATOM 0 H PHE A 38 4.978 9.837 7.964 1.00 0.00 H new ATOM 0 HA PHE A 38 2.277 9.274 7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.581 11.129 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.392 12.076 7.460 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.622 10.432 6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.202 12.892 10.049 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.659 11.036 7.634 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.077 13.499 10.734 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.014 12.568 9.530 1.00 0.00 H new ATOM 585 N ASP A 39 3.541 11.185 5.158 1.00 0.00 N ATOM 586 CA ASP A 39 3.370 11.578 3.764 1.00 0.00 C ATOM 587 C ASP A 39 3.014 10.374 2.899 1.00 0.00 C ATOM 588 O ASP A 39 1.989 10.368 2.216 1.00 0.00 O ATOM 589 CB ASP A 39 4.646 12.239 3.239 1.00 0.00 C ATOM 590 CG ASP A 39 4.768 13.687 3.673 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.555 13.967 4.871 1.00 0.00 O ATOM 592 OD2 ASP A 39 5.076 14.540 2.814 1.00 0.00 O ATOM 0 H ASP A 39 4.314 11.649 5.635 1.00 0.00 H new ATOM 0 HA ASP A 39 2.550 12.294 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.513 11.682 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.658 12.187 2.150 1.00 0.00 H new ATOM 597 N LEU A 40 3.866 9.355 2.932 1.00 0.00 N ATOM 598 CA LEU A 40 3.642 8.144 2.150 1.00 0.00 C ATOM 599 C LEU A 40 2.415 7.391 2.653 1.00 0.00 C ATOM 600 O LEU A 40 1.811 6.609 1.919 1.00 0.00 O ATOM 601 CB LEU A 40 4.872 7.238 2.213 1.00 0.00 C ATOM 602 CG LEU A 40 4.681 5.810 1.699 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.214 5.822 0.252 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.972 5.016 1.838 1.00 0.00 C ATOM 0 H LEU A 40 4.718 9.343 3.492 1.00 0.00 H new ATOM 0 HA LEU A 40 3.467 8.436 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.672 7.705 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.209 7.188 3.248 1.00 0.00 H new ATOM 0 HG LEU A 40 3.914 5.326 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.083 4.798 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.265 6.353 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.958 6.324 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.818 4.003 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.760 5.498 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.265 4.978 2.887 1.00 0.00 H new ATOM 616 N ALA A 41 2.050 7.634 3.908 1.00 0.00 N ATOM 617 CA ALA A 41 0.893 6.982 4.507 1.00 0.00 C ATOM 618 C ALA A 41 -0.402 7.671 4.091 1.00 0.00 C ATOM 619 O ALA A 41 -1.469 7.057 4.086 1.00 0.00 O ATOM 620 CB ALA A 41 1.022 6.967 6.023 1.00 0.00 C ATOM 0 H ALA A 41 2.540 8.278 4.529 1.00 0.00 H new ATOM 0 HA ALA A 41 0.859 5.954 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.151 6.477 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.923 6.423 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.085 7.990 6.393 1.00 0.00 H new ATOM 626 N GLN A 42 -0.301 8.950 3.743 1.00 0.00 N ATOM 627 CA GLN A 42 -1.466 9.722 3.327 1.00 0.00 C ATOM 628 C GLN A 42 -1.862 9.381 1.895 1.00 0.00 C ATOM 629 O GLN A 42 -3.012 9.035 1.622 1.00 0.00 O ATOM 630 CB GLN A 42 -1.180 11.220 3.446 1.00 0.00 C ATOM 631 CG GLN A 42 -0.562 11.618 4.777 1.00 0.00 C ATOM 632 CD GLN A 42 -0.885 13.046 5.167 1.00 0.00 C ATOM 633 OE1 GLN A 42 -2.021 13.500 5.021 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.113 13.764 5.668 1.00 0.00 N ATOM 0 H GLN A 42 0.575 9.473 3.741 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.295 9.464 3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.510 11.519 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.110 11.771 3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.919 10.943 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.520 11.496 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.039 13.348 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.046 14.731 5.949 1.00 0.00 H new ATOM 643 N THR A 43 -0.902 9.480 0.980 1.00 0.00 N ATOM 644 CA THR A 43 -1.150 9.183 -0.425 1.00 0.00 C ATOM 645 C THR A 43 -1.920 7.876 -0.583 1.00 0.00 C ATOM 646 O THR A 43 -2.559 7.640 -1.609 1.00 0.00 O ATOM 647 CB THR A 43 0.165 9.090 -1.221 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.115 9.026 -2.623 1.00 0.00 O ATOM 649 CG2 THR A 43 0.966 7.866 -0.801 1.00 0.00 C ATOM 0 H THR A 43 0.055 9.764 1.188 1.00 0.00 H new ATOM 0 HA THR A 43 -1.748 10.004 -0.821 1.00 0.00 H new ATOM 0 HB THR A 43 0.756 9.981 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.726 8.969 -3.122 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.891 7.821 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.203 7.933 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.379 6.966 -0.986 1.00 0.00 H new ATOM 657 N LEU A 44 -1.856 7.030 0.440 1.00 0.00 N ATOM 658 CA LEU A 44 -2.549 5.747 0.415 1.00 0.00 C ATOM 659 C LEU A 44 -3.718 5.739 1.394 1.00 0.00 C ATOM 660 O LEU A 44 -4.701 5.025 1.197 1.00 0.00 O ATOM 661 CB LEU A 44 -1.578 4.614 0.754 1.00 0.00 C ATOM 662 CG LEU A 44 -0.212 4.674 0.069 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.758 3.705 0.727 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.346 4.370 -1.416 1.00 0.00 C ATOM 0 H LEU A 44 -1.332 7.210 1.296 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.941 5.594 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.421 4.607 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.051 3.667 0.495 1.00 0.00 H new ATOM 0 HG LEU A 44 0.184 5.684 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.725 3.762 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.878 3.968 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.368 2.690 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.636 4.417 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.764 3.372 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.006 5.103 -1.879 1.00 0.00 H new ATOM 676 N ARG A 45 -3.605 6.540 2.448 1.00 0.00 N ATOM 677 CA ARG A 45 -4.653 6.627 3.458 1.00 0.00 C ATOM 678 C ARG A 45 -6.035 6.536 2.816 1.00 0.00 C ATOM 679 O ARG A 45 -6.912 5.824 3.306 1.00 0.00 O ATOM 680 CB ARG A 45 -4.529 7.934 4.242 1.00 0.00 C ATOM 681 CG ARG A 45 -5.688 8.188 5.192 1.00 0.00 C ATOM 682 CD ARG A 45 -5.939 9.676 5.380 1.00 0.00 C ATOM 683 NE ARG A 45 -7.097 9.931 6.233 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.330 11.097 6.825 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.490 12.109 6.658 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.406 11.253 7.586 1.00 0.00 N ATOM 0 H ARG A 45 -2.798 7.138 2.625 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.533 5.788 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.600 7.919 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.458 8.764 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.589 7.712 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.476 7.729 6.158 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.056 10.140 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.095 10.143 4.408 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.763 9.173 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.662 11.993 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.672 13.003 7.114 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.055 10.477 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.584 12.149 8.040 1.00 0.00 H new ATOM 700 N ASP A 46 -6.221 7.262 1.719 1.00 0.00 N ATOM 701 CA ASP A 46 -7.495 7.262 1.010 1.00 0.00 C ATOM 702 C ASP A 46 -7.882 5.849 0.586 1.00 0.00 C ATOM 703 O ASP A 46 -9.032 5.438 0.734 1.00 0.00 O ATOM 704 CB ASP A 46 -7.420 8.174 -0.216 1.00 0.00 C ATOM 705 CG ASP A 46 -7.588 9.638 0.140 1.00 0.00 C ATOM 706 OD1 ASP A 46 -6.763 10.157 0.921 1.00 0.00 O ATOM 707 OD2 ASP A 46 -8.543 10.265 -0.363 1.00 0.00 O ATOM 0 H ASP A 46 -5.506 7.858 1.302 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.260 7.640 1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.460 8.032 -0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.193 7.885 -0.928 1.00 0.00 H new ATOM 712 N GLY A 47 -6.912 5.110 0.056 1.00 0.00 N ATOM 713 CA GLY A 47 -7.172 3.751 -0.383 1.00 0.00 C ATOM 714 C GLY A 47 -7.460 3.667 -1.869 1.00 0.00 C ATOM 715 O GLY A 47 -7.947 2.647 -2.358 1.00 0.00 O ATOM 0 H GLY A 47 -5.952 5.428 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.311 3.125 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.020 3.349 0.172 1.00 0.00 H new ATOM 719 N VAL A 48 -7.161 4.742 -2.590 1.00 0.00 N ATOM 720 CA VAL A 48 -7.391 4.786 -4.029 1.00 0.00 C ATOM 721 C VAL A 48 -6.197 4.228 -4.795 1.00 0.00 C ATOM 722 O VAL A 48 -6.354 3.618 -5.853 1.00 0.00 O ATOM 723 CB VAL A 48 -7.669 6.223 -4.509 1.00 0.00 C ATOM 724 CG1 VAL A 48 -7.818 6.261 -6.023 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.910 6.782 -3.829 1.00 0.00 C ATOM 0 H VAL A 48 -6.759 5.595 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.267 4.168 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.820 6.849 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.014 7.284 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.899 5.905 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.648 5.621 -6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.091 7.798 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.770 6.156 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.760 6.793 -2.749 1.00 0.00 H new ATOM 735 N LEU A 49 -5.003 4.441 -4.253 1.00 0.00 N ATOM 736 CA LEU A 49 -3.779 3.958 -4.884 1.00 0.00 C ATOM 737 C LEU A 49 -3.599 2.462 -4.648 1.00 0.00 C ATOM 738 O LEU A 49 -3.426 1.690 -5.593 1.00 0.00 O ATOM 739 CB LEU A 49 -2.568 4.721 -4.345 1.00 0.00 C ATOM 740 CG LEU A 49 -1.255 4.516 -5.101 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.471 4.669 -6.598 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.199 5.496 -4.610 1.00 0.00 C ATOM 0 H LEU A 49 -4.856 4.945 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.860 4.131 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.803 5.785 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.415 4.431 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.901 3.503 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.525 4.520 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.194 3.928 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.849 5.669 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.729 5.336 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.546 6.516 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.023 5.338 -3.546 1.00 0.00 H new ATOM 754 N LEU A 50 -3.641 2.059 -3.383 1.00 0.00 N ATOM 755 CA LEU A 50 -3.484 0.654 -3.023 1.00 0.00 C ATOM 756 C LEU A 50 -4.133 -0.252 -4.064 1.00 0.00 C ATOM 757 O LEU A 50 -3.477 -1.120 -4.642 1.00 0.00 O ATOM 758 CB LEU A 50 -4.097 0.389 -1.647 1.00 0.00 C ATOM 759 CG LEU A 50 -3.165 0.576 -0.449 1.00 0.00 C ATOM 760 CD1 LEU A 50 -3.956 0.564 0.850 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.094 -0.504 -0.433 1.00 0.00 C ATOM 0 H LEU A 50 -3.782 2.685 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.418 0.431 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.955 1.049 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.476 -0.633 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.674 1.545 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.276 0.698 1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.685 1.374 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.475 -0.389 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.440 -0.355 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.566 -1.484 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.507 -0.448 -1.350 1.00 0.00 H new ATOM 773 N CYS A 51 -5.423 -0.042 -4.301 1.00 0.00 N ATOM 774 CA CYS A 51 -6.161 -0.839 -5.275 1.00 0.00 C ATOM 775 C CYS A 51 -5.419 -0.894 -6.606 1.00 0.00 C ATOM 776 O CYS A 51 -5.344 -1.945 -7.242 1.00 0.00 O ATOM 777 CB CYS A 51 -7.562 -0.261 -5.482 1.00 0.00 C ATOM 778 SG CYS A 51 -8.549 -0.160 -3.970 1.00 0.00 S ATOM 0 H CYS A 51 -5.980 0.673 -3.832 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.248 -1.853 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.472 0.737 -5.912 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.093 -0.875 -6.210 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.289 0.956 -3.355 1.00 0.00 H new ATOM 784 N GLN A 52 -4.874 0.244 -7.022 1.00 0.00 N ATOM 785 CA GLN A 52 -4.140 0.325 -8.279 1.00 0.00 C ATOM 786 C GLN A 52 -2.941 -0.618 -8.271 1.00 0.00 C ATOM 787 O GLN A 52 -2.777 -1.437 -9.176 1.00 0.00 O ATOM 788 CB GLN A 52 -3.673 1.760 -8.530 1.00 0.00 C ATOM 789 CG GLN A 52 -4.787 2.789 -8.428 1.00 0.00 C ATOM 790 CD GLN A 52 -4.543 4.002 -9.304 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.814 4.920 -8.926 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.153 4.013 -10.484 1.00 0.00 N ATOM 0 H GLN A 52 -4.927 1.123 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.812 0.023 -9.083 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.892 2.010 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.225 1.819 -9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.732 2.325 -8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.887 3.109 -7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.748 3.231 -10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.026 4.803 -11.116 1.00 0.00 H new ATOM 801 N LEU A 53 -2.106 -0.497 -7.245 1.00 0.00 N ATOM 802 CA LEU A 53 -0.922 -1.339 -7.120 1.00 0.00 C ATOM 803 C LEU A 53 -1.201 -2.751 -7.624 1.00 0.00 C ATOM 804 O LEU A 53 -0.554 -3.229 -8.556 1.00 0.00 O ATOM 805 CB LEU A 53 -0.458 -1.388 -5.663 1.00 0.00 C ATOM 806 CG LEU A 53 0.635 -2.406 -5.340 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.961 -1.977 -5.948 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.770 -2.585 -3.835 1.00 0.00 C ATOM 0 H LEU A 53 -2.227 0.176 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.132 -0.904 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.098 -0.398 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.323 -1.602 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 53 0.352 -3.364 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.727 -2.714 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.857 -1.901 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.250 -1.007 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.553 -3.313 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.029 -1.631 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.176 -2.939 -3.424 1.00 0.00 H new ATOM 820 N LEU A 54 -2.171 -3.414 -7.003 1.00 0.00 N ATOM 821 CA LEU A 54 -2.539 -4.772 -7.390 1.00 0.00 C ATOM 822 C LEU A 54 -2.958 -4.825 -8.855 1.00 0.00 C ATOM 823 O LEU A 54 -2.668 -5.792 -9.559 1.00 0.00 O ATOM 824 CB LEU A 54 -3.675 -5.285 -6.503 1.00 0.00 C ATOM 825 CG LEU A 54 -3.437 -5.208 -4.995 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.597 -5.836 -4.238 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.126 -5.888 -4.626 1.00 0.00 C ATOM 0 H LEU A 54 -2.717 -3.033 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.666 -5.411 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.576 -4.719 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.874 -6.324 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.371 -4.158 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.409 -5.772 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.518 -5.305 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.696 -6.882 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.973 -5.823 -3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.163 -6.936 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.302 -5.393 -5.140 1.00 0.00 H new ATOM 839 N ASN A 55 -3.641 -3.779 -9.309 1.00 0.00 N ATOM 840 CA ASN A 55 -4.099 -3.707 -10.692 1.00 0.00 C ATOM 841 C ASN A 55 -2.916 -3.621 -11.652 1.00 0.00 C ATOM 842 O ASN A 55 -3.024 -3.993 -12.820 1.00 0.00 O ATOM 843 CB ASN A 55 -5.015 -2.497 -10.885 1.00 0.00 C ATOM 844 CG ASN A 55 -6.303 -2.615 -10.092 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.712 -3.712 -9.711 1.00 0.00 O ATOM 846 ND2 ASN A 55 -6.948 -1.482 -9.840 1.00 0.00 N ATOM 0 H ASN A 55 -3.889 -2.970 -8.740 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.658 -4.617 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.487 -1.593 -10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.252 -2.389 -11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.820 -1.498 -9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.572 -0.595 -10.176 1.00 0.00 H new ATOM 853 N ASN A 56 -1.788 -3.128 -11.151 1.00 0.00 N ATOM 854 CA ASN A 56 -0.585 -2.993 -11.965 1.00 0.00 C ATOM 855 C ASN A 56 0.121 -4.337 -12.118 1.00 0.00 C ATOM 856 O ASN A 56 0.549 -4.705 -13.213 1.00 0.00 O ATOM 857 CB ASN A 56 0.367 -1.972 -11.339 1.00 0.00 C ATOM 858 CG ASN A 56 0.087 -0.558 -11.808 1.00 0.00 C ATOM 859 OD1 ASN A 56 -0.195 0.333 -10.864 1.00 0.00 O flip ATOM 860 ND2 ASN A 56 0.124 -0.269 -13.004 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.682 -2.815 -10.186 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.882 -2.644 -12.954 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.280 -2.016 -10.253 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.395 -2.238 -11.587 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.345 -0.986 -13.695 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.066 0.687 -13.304 1.00 0.00 H new ATOM 867 N LEU A 57 0.239 -5.066 -11.014 1.00 0.00 N ATOM 868 CA LEU A 57 0.893 -6.370 -11.025 1.00 0.00 C ATOM 869 C LEU A 57 0.065 -7.388 -11.803 1.00 0.00 C ATOM 870 O LEU A 57 0.568 -8.045 -12.715 1.00 0.00 O ATOM 871 CB LEU A 57 1.114 -6.863 -9.594 1.00 0.00 C ATOM 872 CG LEU A 57 1.670 -5.835 -8.608 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.677 -6.399 -7.195 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.070 -5.404 -9.019 1.00 0.00 C ATOM 0 H LEU A 57 -0.109 -4.777 -10.100 1.00 0.00 H new ATOM 0 HA LEU A 57 1.859 -6.261 -11.519 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.164 -7.231 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.796 -7.713 -9.625 1.00 0.00 H new ATOM 0 HG LEU A 57 1.022 -4.958 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.076 -5.653 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.659 -6.656 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.301 -7.292 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.450 -4.672 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.729 -6.272 -9.033 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.036 -4.958 -10.013 1.00 0.00 H new ATOM 886 N ARG A 58 -1.207 -7.512 -11.438 1.00 0.00 N ATOM 887 CA ARG A 58 -2.105 -8.449 -12.103 1.00 0.00 C ATOM 888 C ARG A 58 -3.257 -7.711 -12.778 1.00 0.00 C ATOM 889 O ARG A 58 -3.568 -6.573 -12.429 1.00 0.00 O ATOM 890 CB ARG A 58 -2.653 -9.463 -11.097 1.00 0.00 C ATOM 891 CG ARG A 58 -2.969 -10.818 -11.710 1.00 0.00 C ATOM 892 CD ARG A 58 -3.888 -11.633 -10.813 1.00 0.00 C ATOM 893 NE ARG A 58 -4.143 -12.964 -11.358 1.00 0.00 N ATOM 894 CZ ARG A 58 -4.972 -13.198 -12.368 1.00 0.00 C ATOM 895 NH1 ARG A 58 -5.623 -12.195 -12.942 1.00 0.00 N ATOM 896 NH2 ARG A 58 -5.152 -14.437 -12.808 1.00 0.00 N ATOM 0 H ARG A 58 -1.639 -6.976 -10.686 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.537 -8.978 -12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.926 -9.597 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.558 -9.059 -10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.439 -10.678 -12.683 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.043 -11.367 -11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.440 -11.726 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.833 -11.105 -10.687 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.657 -13.757 -10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.487 -11.241 -12.608 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.259 -12.378 -13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.653 -15.211 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.789 -14.615 -13.584 1.00 0.00 H new ATOM 910 N ALA A 59 -3.886 -8.368 -13.747 1.00 0.00 N ATOM 911 CA ALA A 59 -5.005 -7.776 -14.470 1.00 0.00 C ATOM 912 C ALA A 59 -6.337 -8.183 -13.849 1.00 0.00 C ATOM 913 O ALA A 59 -6.498 -9.312 -13.385 1.00 0.00 O ATOM 914 CB ALA A 59 -4.958 -8.179 -15.936 1.00 0.00 C ATOM 0 H ALA A 59 -3.640 -9.310 -14.049 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.918 -6.692 -14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.799 -7.730 -16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.025 -7.832 -16.379 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.016 -9.264 -16.017 1.00 0.00 H new ATOM 920 N HIS A 60 -7.290 -7.257 -13.844 1.00 0.00 N ATOM 921 CA HIS A 60 -8.609 -7.520 -13.280 1.00 0.00 C ATOM 922 C HIS A 60 -8.511 -7.827 -11.789 1.00 0.00 C ATOM 923 O HIS A 60 -9.307 -8.595 -11.249 1.00 0.00 O ATOM 924 CB HIS A 60 -9.275 -8.687 -14.010 1.00 0.00 C ATOM 925 CG HIS A 60 -9.958 -8.286 -15.282 1.00 0.00 C ATOM 926 ND1 HIS A 60 -11.203 -7.696 -15.314 1.00 0.00 N ATOM 927 CD2 HIS A 60 -9.560 -8.393 -16.571 1.00 0.00 C ATOM 928 CE1 HIS A 60 -11.543 -7.458 -16.568 1.00 0.00 C ATOM 929 NE2 HIS A 60 -10.563 -7.872 -17.351 1.00 0.00 N ATOM 0 H HIS A 60 -7.174 -6.318 -14.224 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.218 -6.625 -13.409 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.522 -9.442 -14.234 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.004 -9.151 -13.346 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.627 -8.810 -16.921 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.465 -7.002 -16.897 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.553 -7.814 -18.369 1.00 0.00 H new ATOM 938 N SER A 61 -7.529 -7.222 -11.128 1.00 0.00 N ATOM 939 CA SER A 61 -7.324 -7.434 -9.700 1.00 0.00 C ATOM 940 C SER A 61 -8.370 -6.683 -8.884 1.00 0.00 C ATOM 941 O SER A 61 -8.965 -7.236 -7.958 1.00 0.00 O ATOM 942 CB SER A 61 -5.920 -6.981 -9.292 1.00 0.00 C ATOM 943 OG SER A 61 -4.969 -7.305 -10.292 1.00 0.00 O ATOM 0 H SER A 61 -6.863 -6.581 -11.559 1.00 0.00 H new ATOM 0 HA SER A 61 -7.427 -8.500 -9.497 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.918 -5.905 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.640 -7.456 -8.352 1.00 0.00 H new ATOM 0 HG SER A 61 -4.140 -6.809 -10.128 1.00 0.00 H new ATOM 949 N ILE A 62 -8.590 -5.420 -9.233 1.00 0.00 N ATOM 950 CA ILE A 62 -9.565 -4.592 -8.534 1.00 0.00 C ATOM 951 C ILE A 62 -10.292 -3.664 -9.501 1.00 0.00 C ATOM 952 O ILE A 62 -9.670 -2.853 -10.185 1.00 0.00 O ATOM 953 CB ILE A 62 -8.899 -3.747 -7.432 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.117 -4.646 -6.472 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.946 -2.941 -6.678 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.472 -3.893 -5.330 1.00 0.00 C ATOM 0 H ILE A 62 -8.106 -4.947 -9.996 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.284 -5.271 -8.075 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.201 -3.052 -7.899 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.790 -5.401 -6.065 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.344 -5.175 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.460 -2.349 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.463 -2.277 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.666 -3.619 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.935 -4.593 -4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.774 -3.156 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.242 -3.386 -4.748 1.00 0.00 H new ATOM 968 N ASN A 63 -11.614 -3.789 -9.551 1.00 0.00 N ATOM 969 CA ASN A 63 -12.428 -2.961 -10.433 1.00 0.00 C ATOM 970 C ASN A 63 -12.457 -1.515 -9.948 1.00 0.00 C ATOM 971 O ASN A 63 -13.090 -1.199 -8.939 1.00 0.00 O ATOM 972 CB ASN A 63 -13.853 -3.512 -10.514 1.00 0.00 C ATOM 973 CG ASN A 63 -14.729 -2.714 -11.461 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.265 -1.777 -12.112 1.00 0.00 O ATOM 975 ND2 ASN A 63 -16.002 -3.082 -11.541 1.00 0.00 N ATOM 0 H ASN A 63 -12.145 -4.456 -8.991 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.980 -2.984 -11.426 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.820 -4.551 -10.843 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.299 -3.506 -9.519 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.639 -2.582 -12.161 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.343 -3.865 -10.983 1.00 0.00 H new ATOM 982 N LEU A 64 -11.768 -0.640 -10.672 1.00 0.00 N ATOM 983 CA LEU A 64 -11.714 0.774 -10.316 1.00 0.00 C ATOM 984 C LEU A 64 -13.114 1.326 -10.068 1.00 0.00 C ATOM 985 O LEU A 64 -13.296 2.257 -9.283 1.00 0.00 O ATOM 986 CB LEU A 64 -11.027 1.573 -11.425 1.00 0.00 C ATOM 987 CG LEU A 64 -9.530 1.320 -11.606 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.991 2.122 -12.780 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.773 1.664 -10.331 1.00 0.00 C ATOM 0 H LEU A 64 -11.239 -0.884 -11.509 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.137 0.871 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.529 1.354 -12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.174 2.634 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.383 0.261 -11.818 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.924 1.929 -12.893 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.512 1.828 -13.691 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.150 3.185 -12.598 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.709 1.478 -10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.927 2.715 -10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.140 1.045 -9.512 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.101 0.746 -10.741 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.486 1.177 -10.592 1.00 0.00 C ATOM 1003 C LYS A 65 -16.039 0.770 -9.230 1.00 0.00 C ATOM 1004 O LYS A 65 -16.859 1.478 -8.647 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.351 0.579 -11.705 1.00 0.00 C ATOM 1006 CG LYS A 65 -15.832 0.872 -13.102 1.00 0.00 C ATOM 1007 CD LYS A 65 -15.953 2.348 -13.443 1.00 0.00 C ATOM 1008 CE LYS A 65 -15.677 2.604 -14.917 1.00 0.00 C ATOM 1009 NZ LYS A 65 -16.714 1.988 -15.790 1.00 0.00 N ATOM 0 H LYS A 65 -13.968 -0.025 -11.396 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.512 2.264 -10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.410 -0.501 -11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.365 0.968 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.789 0.565 -13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.390 0.282 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.954 2.699 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.253 2.921 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.641 3.678 -15.099 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.698 2.203 -15.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.688 2.435 -16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.527 0.970 -15.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.653 2.129 -15.366 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.583 -0.375 -8.729 1.00 0.00 N ATOM 1024 CA GLU A 66 -16.033 -0.874 -7.435 1.00 0.00 C ATOM 1025 C GLU A 66 -15.484 -0.015 -6.300 1.00 0.00 C ATOM 1026 O GLU A 66 -16.033 0.000 -5.198 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.597 -2.328 -7.246 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.545 -3.335 -7.874 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.554 -4.664 -7.143 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -15.676 -5.504 -7.427 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -17.441 -4.862 -6.285 1.00 0.00 O ATOM 0 H GLU A 66 -14.903 -0.973 -9.199 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.122 -0.822 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.604 -2.459 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.513 -2.537 -6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.554 -2.922 -7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.259 -3.498 -8.913 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.399 0.699 -6.578 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.776 1.561 -5.581 1.00 0.00 C ATOM 1040 C ILE A 67 -14.044 3.032 -5.881 1.00 0.00 C ATOM 1041 O ILE A 67 -14.052 3.448 -7.039 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.255 1.332 -5.510 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.633 1.454 -6.903 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.952 -0.031 -4.906 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.132 1.637 -6.881 1.00 0.00 C ATOM 0 H ILE A 67 -13.933 0.698 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.219 1.302 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.817 2.097 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.873 0.560 -7.479 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -12.086 2.299 -7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.873 -0.178 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.366 -0.083 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.400 -0.810 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.760 1.716 -7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.884 2.546 -6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.668 0.781 -6.391 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.262 3.815 -4.830 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.529 5.241 -4.981 1.00 0.00 C ATOM 1059 C ASN A 68 -13.251 6.000 -5.323 1.00 0.00 C ATOM 1060 O ASN A 68 -12.532 6.461 -4.434 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.143 5.804 -3.697 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.386 5.048 -3.270 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.428 5.126 -3.921 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -16.281 4.310 -2.171 1.00 0.00 N ATOM 0 H ASN A 68 -14.259 3.486 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.236 5.369 -5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.404 5.764 -2.897 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.394 6.854 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.084 3.778 -1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.397 4.275 -1.663 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.780 9.567 5.295 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.466 8.490 6.227 1.00 0.00 C ATOM 1175 C GLN A 75 -15.151 7.193 5.812 1.00 0.00 C ATOM 1176 O GLN A 75 -14.543 6.123 5.833 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.891 8.875 7.645 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.781 7.734 8.644 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.308 8.106 10.016 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.235 8.907 10.141 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -14.719 7.525 11.054 1.00 0.00 N ATOM 0 HA GLN A 75 -13.388 8.331 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.275 9.707 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -15.922 9.230 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.333 6.873 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.738 7.431 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.954 6.867 10.904 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.031 7.736 12.002 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.421 7.296 5.434 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.191 6.130 5.014 1.00 0.00 C ATOM 1192 C PHE A 76 -16.560 5.474 3.789 1.00 0.00 C ATOM 1193 O PHE A 76 -16.164 4.308 3.830 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.635 6.530 4.705 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.312 7.252 5.835 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -19.665 6.578 6.993 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -19.595 8.605 5.739 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -20.287 7.240 8.035 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.217 9.272 6.778 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.564 8.588 7.927 1.00 0.00 C ATOM 0 H PHE A 76 -16.939 8.174 5.410 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.188 5.410 5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.646 7.166 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -19.207 5.635 4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.452 5.523 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.327 9.144 4.843 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -20.556 6.703 8.933 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -20.431 10.327 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.051 9.107 8.739 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.470 6.230 2.701 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.888 5.724 1.463 1.00 0.00 C ATOM 1212 C LEU A 77 -14.465 5.226 1.694 1.00 0.00 C ATOM 1213 O LEU A 77 -14.173 4.044 1.513 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.891 6.815 0.391 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.256 7.410 0.043 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -17.098 8.596 -0.896 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.156 6.352 -0.579 1.00 0.00 C ATOM 0 H LEU A 77 -16.793 7.196 2.651 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.496 4.886 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.238 7.623 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.454 6.404 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.723 7.761 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.080 9.006 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.491 9.363 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.610 8.270 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.123 6.793 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.694 5.971 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.297 5.533 0.127 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.584 6.136 2.097 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.191 5.789 2.355 1.00 0.00 C ATOM 1231 C CYS A 78 -12.083 4.407 2.991 1.00 0.00 C ATOM 1232 O CYS A 78 -11.441 3.508 2.445 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.543 6.834 3.264 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.263 8.433 2.468 1.00 0.00 S ATOM 0 H CYS A 78 -13.810 7.119 2.252 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.665 5.772 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.176 6.982 4.139 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.589 6.447 3.623 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.714 9.250 3.317 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.714 4.244 4.149 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.688 2.971 4.862 1.00 0.00 C ATOM 1242 C LEU A 79 -13.106 1.825 3.945 1.00 0.00 C ATOM 1243 O LEU A 79 -12.494 0.758 3.949 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.611 3.028 6.080 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.055 3.747 7.310 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.161 4.012 8.319 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.936 2.933 7.944 1.00 0.00 C ATOM 0 H LEU A 79 -13.250 4.977 4.614 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.666 2.790 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.539 3.519 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.867 2.008 6.365 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.645 4.705 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.746 4.524 9.187 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.929 4.636 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.602 3.066 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.553 3.460 8.818 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.321 1.960 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.132 2.796 7.221 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.153 2.055 3.160 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.653 1.045 2.235 1.00 0.00 C ATOM 1261 C LYS A 80 -13.582 0.660 1.219 1.00 0.00 C ATOM 1262 O LYS A 80 -13.291 -0.520 1.026 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.898 1.559 1.509 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.801 0.452 0.992 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.312 -0.089 -0.341 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.901 0.690 -1.508 1.00 0.00 C ATOM 1267 NZ LYS A 80 -18.299 0.272 -1.804 1.00 0.00 N ATOM 0 H LYS A 80 -14.672 2.933 3.146 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.917 0.159 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.468 2.194 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.588 2.184 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.841 -0.357 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.817 0.832 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.224 -0.037 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.584 -1.141 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.881 1.756 -1.280 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.282 0.541 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.665 0.826 -2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.315 -0.739 -2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.895 0.437 -0.968 1.00 0.00 H new ATOM 1281 N ASN A 81 -12.997 1.664 0.574 1.00 0.00 N ATOM 1282 CA ASN A 81 -11.957 1.430 -0.422 1.00 0.00 C ATOM 1283 C ASN A 81 -10.875 0.506 0.128 1.00 0.00 C ATOM 1284 O ASN A 81 -10.662 -0.592 -0.387 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.335 2.757 -0.861 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.327 3.651 -1.580 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.539 3.518 -1.406 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.816 4.569 -2.392 1.00 0.00 N ATOM 0 H ASN A 81 -13.225 2.647 0.723 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.417 0.948 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.946 3.280 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.487 2.558 -1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.434 5.200 -2.902 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.805 4.643 -2.506 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.196 0.957 1.177 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.138 0.170 1.798 1.00 0.00 C ATOM 1297 C ILE A 82 -9.495 -1.312 1.819 1.00 0.00 C ATOM 1298 O ILE A 82 -8.754 -2.147 1.300 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.859 0.640 3.238 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.396 2.098 3.242 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.817 -0.254 3.894 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.372 2.721 4.620 1.00 0.00 C ATOM 0 H ILE A 82 -10.360 1.864 1.615 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.241 0.316 1.196 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.783 0.571 3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.397 2.155 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.055 2.682 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.630 0.091 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.183 -1.280 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.890 -0.213 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.034 3.755 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.374 2.697 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.690 2.161 5.261 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.637 -1.632 2.420 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.093 -3.013 2.507 1.00 0.00 C ATOM 1316 C ARG A 83 -10.964 -3.715 1.159 1.00 0.00 C ATOM 1317 O ARG A 83 -10.443 -4.827 1.072 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.546 -3.064 2.984 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.689 -3.124 4.496 1.00 0.00 C ATOM 1320 CD ARG A 83 -14.036 -2.582 4.950 1.00 0.00 C ATOM 1321 NE ARG A 83 -15.083 -3.598 4.890 1.00 0.00 N ATOM 1322 CZ ARG A 83 -16.264 -3.472 5.484 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.547 -2.379 6.179 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -17.166 -4.441 5.383 1.00 0.00 N ATOM 0 H ARG A 83 -11.263 -0.953 2.854 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.462 -3.532 3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.073 -2.185 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.033 -3.936 2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.578 -4.155 4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.889 -2.549 4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.951 -2.209 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.316 -1.735 4.323 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.897 -4.451 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.857 -1.632 6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.455 -2.285 6.634 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.952 -5.283 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.073 -4.343 5.840 1.00 0.00 H new ATOM 1338 N THR A 84 -11.444 -3.058 0.107 1.00 0.00 N ATOM 1339 CA THR A 84 -11.384 -3.618 -1.237 1.00 0.00 C ATOM 1340 C THR A 84 -9.992 -4.155 -1.547 1.00 0.00 C ATOM 1341 O THR A 84 -9.846 -5.219 -2.149 1.00 0.00 O ATOM 1342 CB THR A 84 -11.767 -2.571 -2.300 1.00 0.00 C ATOM 1343 OG1 THR A 84 -12.903 -1.818 -1.859 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.080 -3.239 -3.630 1.00 0.00 C ATOM 0 H THR A 84 -11.879 -2.137 0.161 1.00 0.00 H new ATOM 0 HA THR A 84 -12.102 -4.437 -1.270 1.00 0.00 H new ATOM 0 HB THR A 84 -10.919 -1.900 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.423 -1.526 -2.636 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.348 -2.479 -4.365 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.204 -3.787 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.913 -3.930 -3.503 1.00 0.00 H new ATOM 1352 N PHE A 85 -8.970 -3.413 -1.132 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.588 -3.816 -1.367 1.00 0.00 C ATOM 1354 C PHE A 85 -7.251 -5.082 -0.585 1.00 0.00 C ATOM 1355 O PHE A 85 -6.784 -6.070 -1.153 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.633 -2.688 -0.971 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.220 -3.150 -0.751 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.341 -3.262 -1.816 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.772 -3.470 0.520 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.041 -3.687 -1.616 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.473 -3.895 0.726 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.606 -4.002 -0.344 1.00 0.00 C ATOM 0 H PHE A 85 -9.073 -2.530 -0.632 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.471 -4.026 -2.430 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.641 -1.926 -1.750 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.999 -2.216 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.675 -3.015 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.446 -3.386 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.366 -3.773 -2.454 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.136 -4.143 1.722 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.590 -4.331 -0.186 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.489 -5.045 0.721 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.210 -6.188 1.583 1.00 0.00 C ATOM 1374 C LEU A 86 -7.919 -7.440 1.073 1.00 0.00 C ATOM 1375 O LEU A 86 -7.433 -8.557 1.250 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.648 -5.890 3.018 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.028 -4.650 3.664 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.801 -4.257 4.913 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.564 -4.897 3.995 1.00 0.00 C ATOM 0 H LEU A 86 -7.875 -4.235 1.207 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.135 -6.369 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.732 -5.778 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.410 -6.755 3.637 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.084 -3.826 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.346 -3.373 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.835 -4.038 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.777 -5.078 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.139 -4.004 4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.484 -5.734 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.018 -5.130 3.080 1.00 0.00 H new ATOM 1391 N THR A 87 -9.070 -7.244 0.438 1.00 0.00 N ATOM 1392 CA THR A 87 -9.845 -8.356 -0.098 1.00 0.00 C ATOM 1393 C THR A 87 -9.187 -8.934 -1.346 1.00 0.00 C ATOM 1394 O THR A 87 -9.063 -10.150 -1.486 1.00 0.00 O ATOM 1395 CB THR A 87 -11.283 -7.923 -0.444 1.00 0.00 C ATOM 1396 OG1 THR A 87 -11.863 -7.222 0.662 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.142 -9.130 -0.792 1.00 0.00 C ATOM 0 H THR A 87 -9.486 -6.326 0.282 1.00 0.00 H new ATOM 0 HA THR A 87 -9.880 -9.120 0.678 1.00 0.00 H new ATOM 0 HB THR A 87 -11.242 -7.263 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.415 -6.358 0.773 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.153 -8.800 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.714 -9.645 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.175 -9.810 0.059 1.00 0.00 H new ATOM 1405 N ALA A 88 -8.766 -8.054 -2.249 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.118 -8.478 -3.483 1.00 0.00 C ATOM 1407 C ALA A 88 -6.821 -9.227 -3.194 1.00 0.00 C ATOM 1408 O ALA A 88 -6.304 -9.946 -4.050 1.00 0.00 O ATOM 1409 CB ALA A 88 -7.847 -7.276 -4.376 1.00 0.00 C ATOM 0 H ALA A 88 -8.862 -7.044 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.792 -9.159 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.363 -7.607 -5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.789 -6.784 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.195 -6.575 -3.855 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.301 -9.054 -1.984 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.064 -9.713 -1.582 1.00 0.00 C ATOM 1417 C CYS A 89 -5.274 -11.215 -1.425 1.00 0.00 C ATOM 1418 O CYS A 89 -4.328 -11.998 -1.524 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.547 -9.118 -0.271 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.560 -7.617 -0.480 1.00 0.00 S ATOM 0 H CYS A 89 -6.717 -8.463 -1.264 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.323 -9.548 -2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.397 -8.894 0.374 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -3.945 -9.867 0.243 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.170 -7.188 0.684 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.518 -11.610 -1.177 1.00 0.00 N ATOM 1427 CA CYS A 90 -6.852 -13.019 -1.004 1.00 0.00 C ATOM 1428 C CYS A 90 -7.684 -13.529 -2.176 1.00 0.00 C ATOM 1429 O CYS A 90 -7.797 -14.736 -2.390 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.614 -13.226 0.306 1.00 0.00 C ATOM 1431 SG CYS A 90 -6.772 -12.564 1.763 1.00 0.00 S ATOM 0 H CYS A 90 -7.311 -10.975 -1.091 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.922 -13.586 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.594 -12.757 0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -7.783 -14.293 0.451 1.00 0.00 H new ATOM 0 HG CYS A 90 -5.788 -13.349 2.089 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.265 -12.602 -2.931 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.088 -12.959 -4.080 1.00 0.00 C ATOM 1439 C GLU A 91 -8.253 -12.997 -5.357 1.00 0.00 C ATOM 1440 O GLU A 91 -8.295 -13.969 -6.112 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.239 -11.964 -4.240 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.164 -11.904 -3.035 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.299 -12.905 -3.121 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -13.277 -12.634 -3.848 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -12.208 -13.962 -2.460 1.00 0.00 O ATOM 0 H GLU A 91 -8.181 -11.599 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.499 -13.953 -3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.827 -10.971 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.821 -12.233 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.587 -12.091 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.577 -10.899 -2.948 1.00 0.00 H new ATOM 1452 N THR A 92 -7.495 -11.931 -5.593 1.00 0.00 N ATOM 1453 CA THR A 92 -6.651 -11.841 -6.778 1.00 0.00 C ATOM 1454 C THR A 92 -5.387 -12.677 -6.618 1.00 0.00 C ATOM 1455 O THR A 92 -5.095 -13.542 -7.444 1.00 0.00 O ATOM 1456 CB THR A 92 -6.254 -10.382 -7.075 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.427 -9.588 -7.283 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.358 -10.304 -8.302 1.00 0.00 C ATOM 0 H THR A 92 -7.448 -11.118 -4.979 1.00 0.00 H new ATOM 0 HA THR A 92 -7.236 -12.228 -7.613 1.00 0.00 H new ATOM 0 HB THR A 92 -5.703 -9.997 -6.217 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.905 -9.482 -6.434 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.091 -9.264 -8.492 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.453 -10.886 -8.129 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.888 -10.706 -9.166 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.640 -12.414 -5.551 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.406 -13.143 -5.283 1.00 0.00 C ATOM 1468 C PHE A 93 -3.688 -14.420 -4.496 1.00 0.00 C ATOM 1469 O PHE A 93 -3.364 -15.520 -4.940 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.424 -12.260 -4.510 1.00 0.00 C ATOM 1471 CG PHE A 93 -1.918 -11.090 -5.303 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -2.776 -10.068 -5.679 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.585 -11.011 -5.674 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.313 -8.989 -6.408 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.117 -9.934 -6.403 1.00 0.00 C ATOM 1476 CZ PHE A 93 -0.982 -8.922 -6.772 1.00 0.00 C ATOM 0 H PHE A 93 -4.868 -11.701 -4.858 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.961 -13.418 -6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.911 -11.893 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.576 -12.866 -4.191 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.818 -10.116 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.096 -11.800 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.991 -8.199 -6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.925 -9.884 -6.684 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.619 -8.081 -7.344 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.294 -14.263 -3.323 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.609 -15.410 -2.492 1.00 0.00 C ATOM 1488 C GLY A 94 -3.570 -15.648 -1.414 1.00 0.00 C ATOM 1489 O GLY A 94 -2.874 -16.663 -1.428 1.00 0.00 O ATOM 0 H GLY A 94 -4.572 -13.362 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.583 -15.261 -2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.688 -16.298 -3.119 1.00 0.00 H new ATOM 1493 N MET A 95 -3.463 -14.709 -0.479 1.00 0.00 N ATOM 1494 CA MET A 95 -2.501 -14.823 0.610 1.00 0.00 C ATOM 1495 C MET A 95 -3.211 -15.030 1.944 1.00 0.00 C ATOM 1496 O MET A 95 -4.435 -15.149 1.994 1.00 0.00 O ATOM 1497 CB MET A 95 -1.623 -13.571 0.675 1.00 0.00 C ATOM 1498 CG MET A 95 -2.346 -12.349 1.218 1.00 0.00 C ATOM 1499 SD MET A 95 -1.219 -11.132 1.926 1.00 0.00 S ATOM 1500 CE MET A 95 -0.937 -10.071 0.511 1.00 0.00 C ATOM 0 H MET A 95 -4.030 -13.862 -0.454 1.00 0.00 H new ATOM 0 HA MET A 95 -1.871 -15.691 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.755 -13.778 1.302 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.249 -13.347 -0.324 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.919 -11.884 0.415 1.00 0.00 H new ATOM 0 HG3 MET A 95 -3.060 -12.663 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.080 -10.213 0.147 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.644 -10.323 -0.279 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.076 -9.030 0.803 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.435 -15.072 3.022 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.991 -15.267 4.356 1.00 0.00 C ATOM 1512 C ARG A 96 -3.749 -14.025 4.815 1.00 0.00 C ATOM 1513 O ARG A 96 -3.234 -12.909 4.748 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.877 -15.595 5.352 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.170 -16.909 5.064 1.00 0.00 C ATOM 1516 CD ARG A 96 -0.258 -17.314 6.211 1.00 0.00 C ATOM 1517 NE ARG A 96 0.855 -16.383 6.380 1.00 0.00 N ATOM 1518 CZ ARG A 96 1.801 -16.528 7.301 1.00 0.00 C ATOM 1519 NH1 ARG A 96 1.769 -17.561 8.131 1.00 0.00 N ATOM 1520 NH2 ARG A 96 2.781 -15.639 7.393 1.00 0.00 N ATOM 0 H ARG A 96 -1.420 -14.974 2.998 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.689 -16.103 4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.144 -14.788 5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.299 -15.632 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.909 -17.691 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.586 -16.816 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.835 -17.360 7.134 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.132 -18.315 6.028 1.00 0.00 H new ATOM 0 HE ARG A 96 0.909 -15.577 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.017 -18.247 8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.497 -17.670 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.809 -14.843 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.507 -15.752 8.101 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.977 -14.227 5.283 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.807 -13.125 5.754 1.00 0.00 C ATOM 1536 C LYS A 97 -5.517 -12.814 7.219 1.00 0.00 C ATOM 1537 O LYS A 97 -6.394 -12.354 7.951 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.289 -13.464 5.577 1.00 0.00 C ATOM 1539 CG LYS A 97 -8.173 -12.244 5.383 1.00 0.00 C ATOM 1540 CD LYS A 97 -9.629 -12.558 5.682 1.00 0.00 C ATOM 1541 CE LYS A 97 -10.407 -11.302 6.045 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.902 -10.588 4.836 1.00 0.00 N ATOM 0 H LYS A 97 -5.419 -15.144 5.346 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.569 -12.243 5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.402 -14.124 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.634 -14.017 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.832 -11.439 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.080 -11.885 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.086 -13.032 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.687 -13.273 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.251 -11.569 6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.770 -10.635 6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.427 -9.738 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.095 -10.311 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.531 -11.216 4.295 1.00 0.00 H new ATOM 1556 N SER A 98 -4.282 -13.066 7.640 1.00 0.00 N ATOM 1557 CA SER A 98 -3.877 -12.814 9.018 1.00 0.00 C ATOM 1558 C SER A 98 -2.742 -11.797 9.074 1.00 0.00 C ATOM 1559 O SER A 98 -2.601 -11.062 10.051 1.00 0.00 O ATOM 1560 CB SER A 98 -3.443 -14.118 9.690 1.00 0.00 C ATOM 1561 OG SER A 98 -4.564 -14.908 10.044 1.00 0.00 O ATOM 0 H SER A 98 -3.544 -13.445 7.046 1.00 0.00 H new ATOM 0 HA SER A 98 -4.734 -12.405 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.797 -14.680 9.016 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.857 -13.894 10.581 1.00 0.00 H new ATOM 0 HG SER A 98 -4.259 -15.736 10.470 1.00 0.00 H new ATOM 1567 N GLU A 99 -1.935 -11.761 8.019 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.811 -10.835 7.948 1.00 0.00 C ATOM 1569 C GLU A 99 -1.279 -9.442 7.537 1.00 0.00 C ATOM 1570 O GLU A 99 -0.622 -8.442 7.829 1.00 0.00 O ATOM 1571 CB GLU A 99 0.238 -11.345 6.958 1.00 0.00 C ATOM 1572 CG GLU A 99 -0.305 -11.565 5.556 1.00 0.00 C ATOM 1573 CD GLU A 99 -0.151 -10.342 4.672 1.00 0.00 C ATOM 1574 OE1 GLU A 99 0.994 -10.039 4.275 1.00 0.00 O ATOM 1575 OE2 GLU A 99 -1.173 -9.689 4.378 1.00 0.00 O ATOM 0 H GLU A 99 -2.038 -12.362 7.202 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.363 -10.772 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.060 -10.631 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.651 -12.283 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.213 -12.407 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.359 -11.834 5.617 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.419 -9.384 6.858 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.977 -8.114 6.405 1.00 0.00 C ATOM 1584 C LEU A 100 -3.071 -7.119 7.557 1.00 0.00 C ATOM 1585 O LEU A 100 -3.025 -7.502 8.727 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.361 -8.332 5.791 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.436 -9.349 4.651 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.883 -9.602 4.256 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.631 -8.869 3.453 1.00 0.00 C ATOM 0 H LEU A 100 -2.976 -10.202 6.609 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.311 -7.703 5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.041 -8.651 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.728 -7.374 5.422 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.006 -10.288 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.917 -10.328 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.432 -9.991 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.339 -8.668 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.696 -9.606 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.031 -7.917 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.588 -8.740 3.743 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.204 -5.841 7.219 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.306 -4.791 8.225 1.00 0.00 C ATOM 1603 C PHE A 101 -4.762 -4.391 8.449 1.00 0.00 C ATOM 1604 O PHE A 101 -5.635 -4.716 7.645 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.489 -3.568 7.802 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.893 -3.010 6.468 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -3.989 -2.168 6.358 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.179 -3.326 5.324 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.363 -1.652 5.131 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.548 -2.813 4.095 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.643 -1.975 3.999 1.00 0.00 C ATOM 0 H PHE A 101 -3.244 -5.508 6.256 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.906 -5.180 9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.595 -2.791 8.559 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.434 -3.840 7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.557 -1.912 7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.323 -3.981 5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.218 -0.996 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -1.982 -3.066 3.211 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.935 -1.574 3.040 1.00 0.00 H new ATOM 1621 N GLU A 102 -5.014 -3.683 9.546 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.363 -3.240 9.875 1.00 0.00 C ATOM 1623 C GLU A 102 -6.705 -1.946 9.142 1.00 0.00 C ATOM 1624 O GLU A 102 -6.014 -0.938 9.285 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.502 -3.035 11.385 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.388 -4.321 12.187 1.00 0.00 C ATOM 1627 CD GLU A 102 -7.415 -5.358 11.775 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -8.611 -5.008 11.693 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -7.023 -6.519 11.535 1.00 0.00 O ATOM 0 H GLU A 102 -4.302 -3.404 10.221 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.060 -4.014 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.734 -2.338 11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.466 -2.571 11.593 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.388 -4.736 12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.509 -4.096 13.247 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.776 -1.984 8.356 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.212 -0.816 7.601 1.00 0.00 C ATOM 1638 C ALA A 103 -8.043 0.460 8.419 1.00 0.00 C ATOM 1639 O ALA A 103 -7.624 1.493 7.897 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.661 -0.978 7.166 1.00 0.00 C ATOM 0 H ALA A 103 -8.358 -2.812 8.226 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.585 -0.734 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.973 -0.098 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.755 -1.863 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.295 -1.089 8.046 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.372 0.382 9.704 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.258 1.532 10.594 1.00 0.00 C ATOM 1648 C PHE A 104 -6.801 1.957 10.749 1.00 0.00 C ATOM 1649 O PHE A 104 -6.466 3.131 10.595 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.854 1.204 11.964 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.132 2.418 12.804 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.188 3.261 12.499 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.335 2.717 13.897 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.447 4.379 13.269 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.588 3.834 14.671 1.00 0.00 C ATOM 1656 CZ PHE A 104 -9.645 4.666 14.356 1.00 0.00 C ATOM 0 H PHE A 104 -8.720 -0.465 10.153 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.814 2.359 10.152 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.782 0.649 11.824 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.169 0.549 12.502 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.817 3.042 11.649 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.507 2.070 14.147 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.275 5.027 13.021 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -7.960 4.056 15.521 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.844 5.540 14.959 1.00 0.00 H new ATOM 1666 N ASP A 105 -5.939 0.993 11.056 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.518 1.266 11.233 1.00 0.00 C ATOM 1668 C ASP A 105 -4.002 2.193 10.136 1.00 0.00 C ATOM 1669 O ASP A 105 -3.150 3.048 10.381 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.722 -0.040 11.230 1.00 0.00 C ATOM 1671 CG ASP A 105 -2.277 0.164 10.818 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -2.041 0.580 9.664 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -1.382 -0.092 11.650 1.00 0.00 O ATOM 0 H ASP A 105 -6.200 0.016 11.187 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.385 1.761 12.195 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.754 -0.484 12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.194 -0.749 10.550 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.524 2.018 8.927 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.116 2.838 7.792 1.00 0.00 C ATOM 1680 C LEU A 106 -4.823 4.189 7.814 1.00 0.00 C ATOM 1681 O LEU A 106 -4.180 5.238 7.839 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.417 2.113 6.479 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.048 2.862 5.198 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.542 2.847 4.987 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.762 2.254 4.000 1.00 0.00 C ATOM 0 H LEU A 106 -5.230 1.316 8.708 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.042 3.010 7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.888 1.160 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.483 1.886 6.449 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.370 3.898 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.298 3.385 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.051 3.329 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.196 1.816 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.487 2.800 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.471 1.209 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.840 2.317 4.148 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.152 4.156 7.806 1.00 0.00 N ATOM 1698 CA PHE A 107 -6.947 5.378 7.827 1.00 0.00 C ATOM 1699 C PHE A 107 -6.415 6.356 8.870 1.00 0.00 C ATOM 1700 O PHE A 107 -5.917 7.430 8.532 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.414 5.052 8.118 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.341 6.212 7.896 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.277 6.953 6.727 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.277 6.562 8.855 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.129 8.022 6.520 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.132 7.629 8.654 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.058 8.359 7.484 1.00 0.00 C ATOM 0 H PHE A 107 -6.701 3.296 7.785 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.873 5.846 6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.726 4.222 7.485 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.505 4.717 9.151 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.553 6.693 5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.339 5.994 9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.068 8.593 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.857 7.891 9.411 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.726 9.192 7.323 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.525 5.976 10.138 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.055 6.819 11.232 1.00 0.00 C ATOM 1719 C ASP A 108 -4.532 6.916 11.227 1.00 0.00 C ATOM 1720 O ASP A 108 -3.944 7.643 12.027 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.539 6.267 12.574 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.586 7.329 13.654 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -5.566 7.515 14.350 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -7.644 7.976 13.802 1.00 0.00 O ATOM 0 H ASP A 108 -6.935 5.090 10.434 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.466 7.819 11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.532 5.836 12.449 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.879 5.460 12.891 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.900 6.178 10.320 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.446 6.181 10.210 1.00 0.00 C ATOM 1731 C VAL A 109 -1.795 5.793 11.533 1.00 0.00 C ATOM 1732 O VAL A 109 -0.718 6.283 11.874 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.919 7.562 9.777 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.546 7.432 9.136 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.899 8.232 8.826 1.00 0.00 C ATOM 0 H VAL A 109 -4.372 5.570 9.651 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.184 5.446 9.449 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.822 8.189 10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.190 8.418 8.836 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.150 6.997 9.853 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.613 6.788 8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.511 9.207 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.030 7.610 7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.860 8.360 9.325 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.455 4.908 12.274 1.00 0.00 N ATOM 1746 CA ARG A 110 -1.940 4.454 13.560 1.00 0.00 C ATOM 1747 C ARG A 110 -0.524 3.903 13.415 1.00 0.00 C ATOM 1748 O ARG A 110 0.447 4.551 13.805 1.00 0.00 O ATOM 1749 CB ARG A 110 -2.858 3.382 14.150 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.295 3.843 14.332 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.977 3.103 15.472 1.00 0.00 C ATOM 1752 NE ARG A 110 -4.548 3.595 16.778 1.00 0.00 N ATOM 1753 CZ ARG A 110 -5.026 3.136 17.930 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -5.943 2.179 17.936 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -4.586 3.635 19.078 1.00 0.00 N ATOM 0 H ARG A 110 -3.347 4.492 12.006 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.911 5.310 14.235 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.846 2.507 13.500 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.461 3.067 15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.312 4.915 14.531 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.850 3.681 13.408 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.058 3.213 15.380 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.757 2.038 15.396 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.843 4.331 16.808 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.283 1.793 17.055 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.308 1.828 18.821 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.880 4.372 19.077 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.953 3.282 19.962 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.416 2.704 12.853 1.00 0.00 N ATOM 1770 CA ASP A 111 0.880 2.067 12.656 1.00 0.00 C ATOM 1771 C ASP A 111 1.110 1.745 11.183 1.00 0.00 C ATOM 1772 O ASP A 111 0.766 0.661 10.712 1.00 0.00 O ATOM 1773 CB ASP A 111 0.975 0.788 13.491 1.00 0.00 C ATOM 1774 CG ASP A 111 0.939 1.065 14.981 1.00 0.00 C ATOM 1775 OD1 ASP A 111 -0.173 1.175 15.537 1.00 0.00 O ATOM 1776 OD2 ASP A 111 2.024 1.173 15.591 1.00 0.00 O ATOM 0 H ASP A 111 -1.210 2.154 12.526 1.00 0.00 H new ATOM 0 HA ASP A 111 1.653 2.764 12.982 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.152 0.124 13.228 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.898 0.264 13.244 1.00 0.00 H new ATOM 1781 N PHE A 112 1.692 2.696 10.459 1.00 0.00 N ATOM 1782 CA PHE A 112 1.965 2.515 9.038 1.00 0.00 C ATOM 1783 C PHE A 112 2.858 1.299 8.807 1.00 0.00 C ATOM 1784 O PHE A 112 2.674 0.555 7.844 1.00 0.00 O ATOM 1785 CB PHE A 112 2.630 3.767 8.462 1.00 0.00 C ATOM 1786 CG PHE A 112 2.711 3.766 6.962 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.588 3.501 6.195 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.910 4.031 6.320 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.660 3.499 4.815 1.00 0.00 C ATOM 1790 CE2 PHE A 112 3.988 4.030 4.940 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.861 3.765 4.186 1.00 0.00 C ATOM 0 H PHE A 112 1.983 3.599 10.833 1.00 0.00 H new ATOM 0 HA PHE A 112 1.016 2.349 8.529 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.074 4.646 8.787 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.636 3.856 8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.646 3.294 6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.794 4.241 6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.778 3.290 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.929 4.236 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.919 3.766 3.108 1.00 0.00 H new ATOM 1801 N GLY A 113 3.826 1.104 9.697 1.00 0.00 N ATOM 1802 CA GLY A 113 4.733 -0.022 9.572 1.00 0.00 C ATOM 1803 C GLY A 113 4.008 -1.321 9.285 1.00 0.00 C ATOM 1804 O GLY A 113 4.541 -2.203 8.612 1.00 0.00 O ATOM 0 H GLY A 113 3.998 1.706 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.446 0.177 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.307 -0.126 10.493 1.00 0.00 H new ATOM 1808 N LYS A 114 2.788 -1.443 9.799 1.00 0.00 N ATOM 1809 CA LYS A 114 1.988 -2.644 9.595 1.00 0.00 C ATOM 1810 C LYS A 114 1.593 -2.793 8.129 1.00 0.00 C ATOM 1811 O LYS A 114 1.547 -3.902 7.598 1.00 0.00 O ATOM 1812 CB LYS A 114 0.733 -2.600 10.470 1.00 0.00 C ATOM 1813 CG LYS A 114 1.018 -2.783 11.951 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.266 -2.878 12.758 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.012 -3.452 14.144 1.00 0.00 C ATOM 1816 NZ LYS A 114 -0.094 -4.939 14.152 1.00 0.00 N ATOM 0 H LYS A 114 2.332 -0.724 10.360 1.00 0.00 H new ATOM 0 HA LYS A 114 2.592 -3.505 9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.229 -1.645 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.044 -3.378 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.610 -3.686 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.616 -1.947 12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.714 -1.888 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.984 -3.505 12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 114 0.973 -3.141 14.491 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.740 -3.044 14.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.085 -5.291 15.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.042 -5.236 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.618 -5.329 13.502 1.00 0.00 H new ATOM 1830 N VAL A 115 1.309 -1.668 7.480 1.00 0.00 N ATOM 1831 CA VAL A 115 0.920 -1.673 6.075 1.00 0.00 C ATOM 1832 C VAL A 115 2.116 -1.966 5.176 1.00 0.00 C ATOM 1833 O VAL A 115 1.988 -2.651 4.160 1.00 0.00 O ATOM 1834 CB VAL A 115 0.297 -0.327 5.660 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.287 -0.418 4.259 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.765 0.100 6.662 1.00 0.00 C ATOM 0 H VAL A 115 1.341 -0.741 7.905 1.00 0.00 H new ATOM 0 HA VAL A 115 0.176 -2.461 5.955 1.00 0.00 H new ATOM 0 HB VAL A 115 1.082 0.429 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.723 0.542 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.502 -0.675 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.059 -1.187 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.195 1.053 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.550 -0.655 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.313 0.209 7.648 1.00 0.00 H new ATOM 1846 N ILE A 116 3.277 -1.444 5.555 1.00 0.00 N ATOM 1847 CA ILE A 116 4.496 -1.651 4.784 1.00 0.00 C ATOM 1848 C ILE A 116 4.866 -3.129 4.727 1.00 0.00 C ATOM 1849 O ILE A 116 5.181 -3.659 3.662 1.00 0.00 O ATOM 1850 CB ILE A 116 5.678 -0.860 5.375 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.286 0.604 5.585 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.892 -0.962 4.464 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.414 1.462 6.113 1.00 0.00 C ATOM 0 H ILE A 116 3.399 -0.874 6.392 1.00 0.00 H new ATOM 0 HA ILE A 116 4.296 -1.290 3.775 1.00 0.00 H new ATOM 0 HB ILE A 116 5.936 -1.291 6.342 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.938 1.018 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.448 0.651 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.719 -0.398 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.182 -2.008 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.647 -0.554 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 116 6.064 2.487 6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.747 1.073 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.245 1.445 5.407 1.00 0.00 H new ATOM 1865 N GLU A 117 4.824 -3.789 5.880 1.00 0.00 N ATOM 1866 CA GLU A 117 5.154 -5.207 5.960 1.00 0.00 C ATOM 1867 C GLU A 117 4.332 -6.014 4.959 1.00 0.00 C ATOM 1868 O GLU A 117 4.877 -6.795 4.177 1.00 0.00 O ATOM 1869 CB GLU A 117 4.910 -5.731 7.377 1.00 0.00 C ATOM 1870 CG GLU A 117 5.436 -7.138 7.605 1.00 0.00 C ATOM 1871 CD GLU A 117 4.872 -7.776 8.860 1.00 0.00 C ATOM 1872 OE1 GLU A 117 3.696 -8.193 8.836 1.00 0.00 O ATOM 1873 OE2 GLU A 117 5.608 -7.858 9.865 1.00 0.00 O ATOM 0 H GLU A 117 4.565 -3.365 6.771 1.00 0.00 H new ATOM 0 HA GLU A 117 6.210 -5.323 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.382 -5.056 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.840 -5.715 7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.188 -7.758 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.523 -7.108 7.674 1.00 0.00 H new ATOM 1880 N THR A 118 3.017 -5.822 4.990 1.00 0.00 N ATOM 1881 CA THR A 118 2.120 -6.532 4.088 1.00 0.00 C ATOM 1882 C THR A 118 2.714 -6.633 2.687 1.00 0.00 C ATOM 1883 O THR A 118 2.728 -7.706 2.083 1.00 0.00 O ATOM 1884 CB THR A 118 0.746 -5.840 4.002 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.214 -5.643 5.316 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.226 -6.668 3.174 1.00 0.00 C ATOM 0 H THR A 118 2.550 -5.180 5.631 1.00 0.00 H new ATOM 0 HA THR A 118 1.989 -7.534 4.497 1.00 0.00 H new ATOM 0 HB THR A 118 0.880 -4.873 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.708 -5.974 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.189 -6.160 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.168 -6.791 2.165 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.355 -7.647 3.635 1.00 0.00 H new ATOM 1894 N LEU A 119 3.204 -5.509 2.176 1.00 0.00 N ATOM 1895 CA LEU A 119 3.801 -5.471 0.845 1.00 0.00 C ATOM 1896 C LEU A 119 5.036 -6.364 0.776 1.00 0.00 C ATOM 1897 O LEU A 119 5.258 -7.057 -0.216 1.00 0.00 O ATOM 1898 CB LEU A 119 4.175 -4.035 0.474 1.00 0.00 C ATOM 1899 CG LEU A 119 3.157 -2.958 0.849 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.641 -1.587 0.402 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.799 -3.271 0.237 1.00 0.00 C ATOM 0 H LEU A 119 3.200 -4.612 2.662 1.00 0.00 H new ATOM 0 HA LEU A 119 3.065 -5.845 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 119 5.124 -3.793 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.341 -3.991 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 119 3.051 -2.948 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.903 -0.833 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.590 -1.360 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.777 -1.584 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 119 1.087 -2.494 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.889 -3.310 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.447 -4.234 0.606 1.00 0.00 H new ATOM 1913 N SER A 120 5.834 -6.344 1.839 1.00 0.00 N ATOM 1914 CA SER A 120 7.047 -7.151 1.898 1.00 0.00 C ATOM 1915 C SER A 120 6.743 -8.613 1.588 1.00 0.00 C ATOM 1916 O SER A 120 7.542 -9.304 0.955 1.00 0.00 O ATOM 1917 CB SER A 120 7.695 -7.035 3.280 1.00 0.00 C ATOM 1918 OG SER A 120 8.884 -7.802 3.351 1.00 0.00 O ATOM 0 H SER A 120 5.662 -5.778 2.670 1.00 0.00 H new ATOM 0 HA SER A 120 7.741 -6.775 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.919 -5.990 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.994 -7.373 4.043 1.00 0.00 H new ATOM 0 HG SER A 120 9.280 -7.710 4.243 1.00 0.00 H new ATOM 1924 N ARG A 121 5.582 -9.078 2.038 1.00 0.00 N ATOM 1925 CA ARG A 121 5.171 -10.458 1.810 1.00 0.00 C ATOM 1926 C ARG A 121 4.563 -10.622 0.420 1.00 0.00 C ATOM 1927 O ARG A 121 4.912 -11.545 -0.317 1.00 0.00 O ATOM 1928 CB ARG A 121 4.163 -10.895 2.874 1.00 0.00 C ATOM 1929 CG ARG A 121 4.743 -10.948 4.278 1.00 0.00 C ATOM 1930 CD ARG A 121 3.843 -11.726 5.224 1.00 0.00 C ATOM 1931 NE ARG A 121 4.177 -13.147 5.253 1.00 0.00 N ATOM 1932 CZ ARG A 121 5.327 -13.622 5.720 1.00 0.00 C ATOM 1933 NH1 ARG A 121 6.247 -12.794 6.194 1.00 0.00 N ATOM 1934 NH2 ARG A 121 5.558 -14.929 5.713 1.00 0.00 N ATOM 0 H ARG A 121 4.909 -8.519 2.563 1.00 0.00 H new ATOM 0 HA ARG A 121 6.057 -11.090 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.317 -10.207 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.776 -11.880 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 121 5.729 -11.412 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 121 4.879 -9.934 4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.930 -11.313 6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.804 -11.604 4.918 1.00 0.00 H new ATOM 0 HE ARG A 121 3.490 -13.811 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.073 -11.789 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.129 -13.162 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.853 -15.570 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.441 -15.293 6.072 1.00 0.00 H new ATOM 1948 N LEU A 122 3.652 -9.721 0.069 1.00 0.00 N ATOM 1949 CA LEU A 122 2.994 -9.766 -1.232 1.00 0.00 C ATOM 1950 C LEU A 122 4.015 -9.930 -2.353 1.00 0.00 C ATOM 1951 O LEU A 122 3.845 -10.763 -3.244 1.00 0.00 O ATOM 1952 CB LEU A 122 2.175 -8.493 -1.456 1.00 0.00 C ATOM 1953 CG LEU A 122 1.745 -8.215 -2.897 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.655 -9.186 -3.325 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.270 -6.777 -3.044 1.00 0.00 C ATOM 0 H LEU A 122 3.352 -8.951 0.667 1.00 0.00 H new ATOM 0 HA LEU A 122 2.326 -10.627 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.281 -8.547 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.758 -7.643 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 122 2.607 -8.359 -3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.361 -8.973 -4.353 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.031 -10.207 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.209 -9.074 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.968 -6.597 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.421 -6.605 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.080 -6.097 -2.779 1.00 0.00 H new ATOM 1967 N SER A 123 5.077 -9.133 -2.301 1.00 0.00 N ATOM 1968 CA SER A 123 6.125 -9.189 -3.313 1.00 0.00 C ATOM 1969 C SER A 123 6.528 -10.632 -3.599 1.00 0.00 C ATOM 1970 O SER A 123 7.031 -10.946 -4.678 1.00 0.00 O ATOM 1971 CB SER A 123 7.347 -8.388 -2.858 1.00 0.00 C ATOM 1972 OG SER A 123 8.018 -9.041 -1.794 1.00 0.00 O ATOM 0 H SER A 123 5.235 -8.441 -1.569 1.00 0.00 H new ATOM 0 HA SER A 123 5.733 -8.751 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.031 -8.255 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.036 -7.393 -2.540 1.00 0.00 H new ATOM 0 HG SER A 123 7.526 -8.895 -0.959 1.00 0.00 H new ATOM 1978 N ARG A 124 6.302 -11.507 -2.625 1.00 0.00 N ATOM 1979 CA ARG A 124 6.641 -12.917 -2.770 1.00 0.00 C ATOM 1980 C ARG A 124 5.748 -13.587 -3.810 1.00 0.00 C ATOM 1981 O ARG A 124 6.215 -14.384 -4.625 1.00 0.00 O ATOM 1982 CB ARG A 124 6.507 -13.637 -1.427 1.00 0.00 C ATOM 1983 CG ARG A 124 7.437 -13.100 -0.352 1.00 0.00 C ATOM 1984 CD ARG A 124 8.802 -13.767 -0.412 1.00 0.00 C ATOM 1985 NE ARG A 124 9.654 -13.180 -1.442 1.00 0.00 N ATOM 1986 CZ ARG A 124 10.670 -13.821 -2.009 1.00 0.00 C ATOM 1987 NH1 ARG A 124 10.959 -15.063 -1.648 1.00 0.00 N ATOM 1988 NH2 ARG A 124 11.399 -13.219 -2.940 1.00 0.00 N ATOM 0 H ARG A 124 5.885 -11.264 -1.726 1.00 0.00 H new ATOM 0 HA ARG A 124 7.675 -12.983 -3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.477 -13.552 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.708 -14.698 -1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.552 -12.023 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.993 -13.265 0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 124 9.292 -13.678 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 124 8.677 -14.832 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 124 9.458 -12.225 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 124 10.401 -15.529 -0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.740 -15.553 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.179 -12.263 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 124 12.179 -13.712 -3.375 1.00 0.00 H new ATOM 2002 N THR A 125 4.460 -13.260 -3.776 1.00 0.00 N ATOM 2003 CA THR A 125 3.501 -13.830 -4.713 1.00 0.00 C ATOM 2004 C THR A 125 4.104 -13.957 -6.107 1.00 0.00 C ATOM 2005 O THR A 125 4.962 -13.173 -6.513 1.00 0.00 O ATOM 2006 CB THR A 125 2.221 -12.977 -4.796 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.524 -11.691 -5.348 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.593 -12.810 -3.421 1.00 0.00 C ATOM 0 H THR A 125 4.057 -12.602 -3.109 1.00 0.00 H new ATOM 0 HA THR A 125 3.245 -14.821 -4.339 1.00 0.00 H new ATOM 0 HB THR A 125 1.510 -13.490 -5.443 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.138 -11.215 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.691 -12.204 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.337 -13.789 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.301 -12.317 -2.755 1.00 0.00 H new ATOM 2016 N PRO A 126 3.647 -14.968 -6.861 1.00 0.00 N ATOM 2017 CA PRO A 126 4.128 -15.221 -8.222 1.00 0.00 C ATOM 2018 C PRO A 126 3.669 -14.151 -9.207 1.00 0.00 C ATOM 2019 O PRO A 126 3.956 -14.230 -10.402 1.00 0.00 O ATOM 2020 CB PRO A 126 3.502 -16.574 -8.574 1.00 0.00 C ATOM 2021 CG PRO A 126 2.287 -16.663 -7.717 1.00 0.00 C ATOM 2022 CD PRO A 126 2.625 -15.942 -6.442 1.00 0.00 C ATOM 0 HA PRO A 126 5.217 -15.212 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.245 -16.628 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.191 -17.394 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.429 -16.205 -8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.024 -17.702 -7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 126 1.751 -15.449 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.008 -16.625 -5.684 1.00 0.00 H new ATOM 2030 N ILE A 127 2.957 -13.152 -8.698 1.00 0.00 N ATOM 2031 CA ILE A 127 2.461 -12.065 -9.533 1.00 0.00 C ATOM 2032 C ILE A 127 3.392 -10.859 -9.477 1.00 0.00 C ATOM 2033 O ILE A 127 3.635 -10.202 -10.488 1.00 0.00 O ATOM 2034 CB ILE A 127 1.047 -11.628 -9.107 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.067 -12.795 -9.239 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.584 -10.444 -9.943 1.00 0.00 C ATOM 2037 CD1 ILE A 127 -0.044 -13.635 -7.985 1.00 0.00 C ATOM 0 H ILE A 127 2.710 -13.072 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 127 2.423 -12.444 -10.554 1.00 0.00 H new ATOM 0 HB ILE A 127 1.078 -11.320 -8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.918 -12.405 -9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.381 -13.431 -10.066 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.417 -10.147 -9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.271 -9.609 -9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.566 -10.727 -10.996 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.756 -14.444 -8.151 1.00 0.00 H new ATOM 0 HD12 ILE A 127 0.932 -14.055 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.388 -13.012 -7.159 1.00 0.00 H new ATOM 2049 N ALA A 128 3.912 -10.575 -8.287 1.00 0.00 N ATOM 2050 CA ALA A 128 4.820 -9.451 -8.099 1.00 0.00 C ATOM 2051 C ALA A 128 6.213 -9.776 -8.627 1.00 0.00 C ATOM 2052 O ALA A 128 6.865 -8.935 -9.248 1.00 0.00 O ATOM 2053 CB ALA A 128 4.888 -9.067 -6.628 1.00 0.00 C ATOM 0 H ALA A 128 3.720 -11.108 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 128 4.433 -8.605 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.570 -8.226 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.895 -8.784 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.248 -9.916 -6.047 1.00 0.00 H new ATOM 2059 N LEU A 129 6.665 -11.000 -8.378 1.00 0.00 N ATOM 2060 CA LEU A 129 7.982 -11.436 -8.829 1.00 0.00 C ATOM 2061 C LEU A 129 8.015 -11.592 -10.346 1.00 0.00 C ATOM 2062 O LEU A 129 9.021 -11.296 -10.988 1.00 0.00 O ATOM 2063 CB LEU A 129 8.359 -12.760 -8.161 1.00 0.00 C ATOM 2064 CG LEU A 129 8.353 -12.765 -6.631 1.00 0.00 C ATOM 2065 CD1 LEU A 129 8.627 -14.164 -6.102 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.378 -11.778 -6.091 1.00 0.00 C ATOM 0 H LEU A 129 6.139 -11.708 -7.866 1.00 0.00 H new ATOM 0 HA LEU A 129 8.707 -10.673 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.670 -13.529 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.354 -13.045 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 129 7.365 -12.456 -6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.619 -14.149 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.856 -14.846 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.602 -14.501 -6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.360 -11.795 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.372 -12.057 -6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.137 -10.775 -6.443 1.00 0.00 H new ATOM 2078 N ALA A 130 6.906 -12.057 -10.912 1.00 0.00 N ATOM 2079 CA ALA A 130 6.806 -12.247 -12.353 1.00 0.00 C ATOM 2080 C ALA A 130 7.373 -11.049 -13.106 1.00 0.00 C ATOM 2081 O ALA A 130 8.190 -11.203 -14.015 1.00 0.00 O ATOM 2082 CB ALA A 130 5.358 -12.488 -12.755 1.00 0.00 C ATOM 0 H ALA A 130 6.064 -12.309 -10.394 1.00 0.00 H new ATOM 0 HA ALA A 130 7.397 -13.123 -12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.299 -12.628 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.984 -13.380 -12.252 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.753 -11.629 -12.467 1.00 0.00 H new ATOM 2088 N THR A 131 6.936 -9.853 -12.723 1.00 0.00 N ATOM 2089 CA THR A 131 7.399 -8.629 -13.363 1.00 0.00 C ATOM 2090 C THR A 131 8.916 -8.510 -13.289 1.00 0.00 C ATOM 2091 O THR A 131 9.553 -7.993 -14.206 1.00 0.00 O ATOM 2092 CB THR A 131 6.766 -7.382 -12.715 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.302 -7.187 -11.402 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.253 -7.524 -12.634 1.00 0.00 C ATOM 0 H THR A 131 6.261 -9.707 -11.972 1.00 0.00 H new ATOM 0 HA THR A 131 7.092 -8.683 -14.407 1.00 0.00 H new ATOM 0 HB THR A 131 7.002 -6.518 -13.336 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.016 -7.921 -10.819 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.828 -6.632 -12.173 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.845 -7.644 -13.637 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.001 -8.398 -12.033 1.00 0.00 H new ATOM 2102 N GLY A 132 9.491 -8.993 -12.192 1.00 0.00 N ATOM 2103 CA GLY A 132 10.931 -8.931 -12.020 1.00 0.00 C ATOM 2104 C GLY A 132 11.373 -7.690 -11.272 1.00 0.00 C ATOM 2105 O GLY A 132 12.516 -7.251 -11.404 1.00 0.00 O ATOM 0 H GLY A 132 8.985 -9.426 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.268 -9.816 -11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.412 -8.952 -12.998 1.00 0.00 H new ATOM 2109 N ILE A 133 10.466 -7.121 -10.485 1.00 0.00 N ATOM 2110 CA ILE A 133 10.769 -5.922 -9.713 1.00 0.00 C ATOM 2111 C ILE A 133 11.544 -6.265 -8.446 1.00 0.00 C ATOM 2112 O ILE A 133 11.211 -7.218 -7.741 1.00 0.00 O ATOM 2113 CB ILE A 133 9.486 -5.162 -9.327 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.746 -4.695 -10.582 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.821 -3.978 -8.432 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.283 -4.396 -10.345 1.00 0.00 C ATOM 0 H ILE A 133 9.515 -7.471 -10.365 1.00 0.00 H new ATOM 0 HA ILE A 133 11.382 -5.284 -10.349 1.00 0.00 H new ATOM 0 HB ILE A 133 8.834 -5.838 -8.774 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.233 -3.800 -10.969 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.832 -5.463 -11.351 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.904 -3.451 -8.168 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.309 -4.334 -7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.490 -3.299 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.822 -4.070 -11.278 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.781 -5.295 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.189 -3.607 -9.599 1.00 0.00 H new ATOM 2128 N ARG A 134 12.579 -5.481 -8.161 1.00 0.00 N ATOM 2129 CA ARG A 134 13.401 -5.701 -6.978 1.00 0.00 C ATOM 2130 C ARG A 134 12.568 -6.274 -5.835 1.00 0.00 C ATOM 2131 O ARG A 134 11.916 -5.548 -5.084 1.00 0.00 O ATOM 2132 CB ARG A 134 14.059 -4.392 -6.537 1.00 0.00 C ATOM 2133 CG ARG A 134 15.038 -3.829 -7.554 1.00 0.00 C ATOM 2134 CD ARG A 134 15.763 -2.607 -7.013 1.00 0.00 C ATOM 2135 NE ARG A 134 16.869 -2.972 -6.132 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.988 -3.549 -6.557 1.00 0.00 C ATOM 2137 NH1 ARG A 134 18.147 -3.824 -7.844 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.949 -3.851 -5.695 1.00 0.00 N ATOM 0 H ARG A 134 12.868 -4.688 -8.734 1.00 0.00 H new ATOM 0 HA ARG A 134 14.177 -6.422 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.282 -3.652 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.582 -4.558 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 134 15.765 -4.595 -7.823 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.504 -3.562 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 134 16.143 -2.013 -7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 134 15.058 -1.979 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 134 16.778 -2.773 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 134 17.410 -3.593 -8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 134 19.007 -4.267 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 134 18.830 -3.640 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 134 19.807 -4.294 -6.023 1.00 0.00 H new ATOM 2152 N PRO A 135 12.588 -7.608 -5.699 1.00 0.00 N ATOM 2153 CA PRO A 135 11.839 -8.308 -4.651 1.00 0.00 C ATOM 2154 C PRO A 135 12.418 -8.060 -3.262 1.00 0.00 C ATOM 2155 O PRO A 135 13.634 -7.970 -3.092 1.00 0.00 O ATOM 2156 CB PRO A 135 11.986 -9.783 -5.035 1.00 0.00 C ATOM 2157 CG PRO A 135 13.248 -9.845 -5.824 1.00 0.00 C ATOM 2158 CD PRO A 135 13.343 -8.536 -6.558 1.00 0.00 C ATOM 0 HA PRO A 135 10.805 -7.969 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.040 -10.419 -4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.134 -10.126 -5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.109 -9.990 -5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.232 -10.683 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.378 -8.218 -6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 135 12.910 -8.602 -7.556 1.00 0.00 H new