USER MOD reduce.3.24.130724 H: found=0, std=0, add=1319, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1343 hydrogens (20 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 NoAdj-H: A 84 HIS HE2 : A 84 HIS NE2 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 97 HIS HD1 : A 97 HIS ND1 : A 176 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD NoAdj-H: A 124 HIS HE2 : A 124 HIS NE2 : A 177 ZNZN :(H bumps) USER MOD Set 1.1: A 17 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 ASN : amide:sc= 0.982 K(o=0.98,f=-0.042) USER MOD Set 2.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 30:sc= 1.05 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.411 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -120:sc= -1.17 USER MOD Single : A 21 SER OG : rot -168:sc= 1.19 USER MOD Single : A 22 TYR OH : rot -60:sc= 0.0699 USER MOD Single : A 23 THR OG1 : rot 120:sc= 0.945 USER MOD Single : A 28 HIS : no HD1:sc= -0.881 K(o=-0.88,f=-1.9) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.1!) USER MOD Single : A 41 MET CE :methyl 179:sc= 0 (180deg=-0.00371) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.874 K(o=0.87,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 140:sc= -0.0934 (180deg=-0.735) USER MOD Single : A 69 HIS :FLIP no HE2:sc= -0.285 F(o=-2.3,f=-0.29) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0877 K(o=-0.088,f=-4.3!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00899 USER MOD Single : A 105 THR OG1 : rot 160:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.23 K(o=1.2,f=-7.7!) USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 125 SER OG : rot 85:sc= 0.497 USER MOD Single : A 128 MET CE :methyl 180:sc= -0.843 (180deg=-0.843) USER MOD Single : A 130 HIS : no HD1:sc= -0.0892 K(o=-0.089,f=-0.62) USER MOD Single : A 131 SER OG : rot -170:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 138 MET CE :methyl -152:sc= -0.433 (180deg=-2.67) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.0923 K(o=-0.092,f=-1.9!) USER MOD Single : A 148 GLN : amide:sc= -0.028 K(o=-0.028,f=-1.1) USER MOD Single : A 149 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.15) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.497) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 ASN : amide:sc= 0.00919 K(o=0.0092,f=-0.81) USER MOD Single : A 170 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 178 MDW O1 : rot 178:sc= 0.0332 USER MOD ----------------------------------------------------------------- ATOM 1 CA TYR A 1 -10.496 -3.603 14.017 1.00 0.56 C ATOM 2 C TYR A 1 -9.119 -4.205 13.706 1.00 0.57 C ATOM 3 O TYR A 1 -8.806 -5.293 14.202 1.00 -0.57 O ATOM 4 CB TYR A 1 -11.239 -3.097 12.764 1.00 0.14 C ATOM 5 CG TYR A 1 -12.745 -3.302 12.819 1.00 -0.14 C ATOM 6 CD1 TYR A 1 -13.561 -2.492 13.638 1.00 -0.15 C ATOM 7 CD2 TYR A 1 -13.337 -4.324 12.047 1.00 -0.15 C ATOM 8 CE1 TYR A 1 -14.947 -2.719 13.706 1.00 -0.15 C ATOM 9 CE2 TYR A 1 -14.726 -4.542 12.095 1.00 -0.15 C ATOM 10 CZ TYR A 1 -15.539 -3.740 12.930 1.00 0.08 C ATOM 11 OH TYR A 1 -16.887 -3.936 12.984 1.00 -0.53 O ATOM 0 HB2 TYR A 1 -11.031 -2.035 12.634 1.00 0.14 H new ATOM 0 HB3 TYR A 1 -10.844 -3.609 11.887 1.00 0.14 H new ATOM 0 HD1 TYR A 1 -13.118 -1.694 14.215 1.00 -0.15 H new ATOM 0 HD2 TYR A 1 -12.719 -4.944 11.414 1.00 -0.15 H new ATOM 0 HE1 TYR A 1 -15.561 -2.111 14.354 1.00 -0.15 H new ATOM 0 HE2 TYR A 1 -15.172 -5.321 11.495 1.00 -0.15 H new ATOM 0 HH TYR A 1 -17.134 -4.676 12.390 1.00 -0.53 H new ATOM 20 N SER A 2 -8.302 -3.504 12.905 1.00 -0.73 N ATOM 21 CA SER A 2 -6.978 -3.952 12.472 1.00 0.36 C ATOM 22 C SER A 2 -5.921 -3.343 13.402 1.00 0.57 C ATOM 23 O SER A 2 -5.401 -4.043 14.278 1.00 -0.57 O ATOM 24 CB SER A 2 -6.815 -3.559 10.992 1.00 0.28 C ATOM 25 OG SER A 2 -5.495 -3.676 10.507 1.00 -0.68 O ATOM 0 H SER A 2 -8.554 -2.588 12.534 1.00 -0.73 H new ATOM 0 HA SER A 2 -6.854 -5.033 12.538 1.00 0.36 H new ATOM 0 HB2 SER A 2 -7.470 -4.186 10.387 1.00 0.28 H new ATOM 0 HB3 SER A 2 -7.149 -2.530 10.862 1.00 0.28 H new ATOM 0 HG SER A 2 -5.030 -4.388 10.993 1.00 -0.68 H new ATOM 31 N LEU A 3 -5.682 -2.027 13.263 1.00 -0.73 N ATOM 32 CA LEU A 3 -4.730 -1.274 14.077 1.00 0.36 C ATOM 33 C LEU A 3 -5.217 0.163 14.289 1.00 0.57 C ATOM 34 O LEU A 3 -5.348 0.575 15.443 1.00 -0.57 O ATOM 35 CB LEU A 3 -3.333 -1.291 13.411 1.00 0.00 C ATOM 36 CG LEU A 3 -2.139 -1.385 14.382 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.131 -0.291 15.456 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.066 -2.783 15.007 1.00 0.00 C ATOM 0 H LEU A 3 -6.157 -1.453 12.567 1.00 -0.73 H new ATOM 0 HA LEU A 3 -4.653 -1.749 15.055 1.00 0.36 H new ATOM 0 HB2 LEU A 3 -3.287 -2.135 12.723 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.223 -0.386 12.813 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.242 -1.214 13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.263 -0.421 16.102 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.084 0.688 14.978 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.041 -0.360 16.053 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.218 -2.832 15.690 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.986 -2.985 15.556 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.942 -3.527 14.220 1.00 0.00 H new ATOM 50 N PHE A 4 -5.549 0.874 13.198 1.00 -0.73 N ATOM 51 CA PHE A 4 -5.949 2.280 13.185 1.00 0.36 C ATOM 52 C PHE A 4 -7.451 2.358 12.870 1.00 0.57 C ATOM 53 O PHE A 4 -7.832 2.275 11.703 1.00 -0.57 O ATOM 54 CB PHE A 4 -5.091 3.069 12.163 1.00 0.14 C ATOM 55 CG PHE A 4 -4.221 4.155 12.772 1.00 -0.14 C ATOM 56 CD1 PHE A 4 -3.309 3.835 13.796 1.00 -0.15 C ATOM 57 CD2 PHE A 4 -4.315 5.486 12.315 1.00 -0.15 C ATOM 58 CE1 PHE A 4 -2.509 4.839 14.369 1.00 -0.15 C ATOM 59 CE2 PHE A 4 -3.514 6.489 12.887 1.00 -0.15 C ATOM 60 CZ PHE A 4 -2.612 6.167 13.915 1.00 -0.15 C ATOM 0 H PHE A 4 -5.544 0.462 12.265 1.00 -0.73 H new ATOM 0 HA PHE A 4 -5.778 2.738 14.159 1.00 0.36 H new ATOM 0 HB2 PHE A 4 -4.452 2.368 11.627 1.00 0.14 H new ATOM 0 HB3 PHE A 4 -5.754 3.523 11.426 1.00 0.14 H new ATOM 0 HD1 PHE A 4 -3.224 2.816 14.142 1.00 -0.15 H new ATOM 0 HD2 PHE A 4 -5.005 5.735 11.523 1.00 -0.15 H new ATOM 0 HE1 PHE A 4 -1.815 4.591 15.158 1.00 -0.15 H new ATOM 0 HE2 PHE A 4 -3.592 7.508 12.536 1.00 -0.15 H new ATOM 0 HZ PHE A 4 -1.998 6.938 14.356 1.00 -0.15 H new ATOM 70 N PRO A 5 -8.332 2.459 13.883 1.00 -0.66 N ATOM 71 CA PRO A 5 -9.744 2.677 13.639 1.00 0.36 C ATOM 72 C PRO A 5 -9.944 4.121 13.154 1.00 0.57 C ATOM 73 O PRO A 5 -9.610 5.089 13.844 1.00 -0.57 O ATOM 74 CB PRO A 5 -10.446 2.355 14.961 1.00 0.00 C ATOM 75 CG PRO A 5 -9.388 2.607 16.033 1.00 0.00 C ATOM 76 CD PRO A 5 -8.049 2.451 15.310 1.00 0.30 C ATOM 0 HA PRO A 5 -10.165 2.045 12.857 1.00 0.36 H new ATOM 0 HB2 PRO A 5 -11.320 2.989 15.110 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.794 1.322 14.983 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.491 3.603 16.463 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -9.479 1.895 16.853 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -7.372 3.263 15.573 1.00 0.30 H new ATOM 0 HD3 PRO A 5 -7.560 1.521 15.601 1.00 0.30 H new ATOM 84 N ASN A 6 -10.484 4.247 11.941 1.00 -0.73 N ATOM 85 CA ASN A 6 -10.945 5.512 11.374 1.00 0.36 C ATOM 86 C ASN A 6 -12.182 5.202 10.529 1.00 0.57 C ATOM 87 O ASN A 6 -13.296 5.534 10.942 1.00 -0.57 O ATOM 88 CB ASN A 6 -9.814 6.173 10.562 1.00 0.06 C ATOM 89 CG ASN A 6 -10.065 7.650 10.253 1.00 0.57 C ATOM 90 OD1 ASN A 6 -10.191 8.474 11.158 1.00 -0.57 O ATOM 91 ND2 ASN A 6 -10.099 8.032 8.982 1.00 -0.80 N ATOM 0 H ASN A 6 -10.615 3.454 11.313 1.00 -0.73 H new ATOM 0 HA ASN A 6 -11.215 6.229 12.149 1.00 0.36 H new ATOM 0 HB2 ASN A 6 -8.879 6.080 11.114 1.00 0.06 H new ATOM 0 HB3 ASN A 6 -9.686 5.631 9.625 1.00 0.06 H new ATOM 0 HD21 ASN A 6 -10.230 9.016 8.749 1.00 -0.80 H new ATOM 0 HD22 ASN A 6 -9.994 7.341 8.239 1.00 -0.80 H new ATOM 98 N SER A 7 -11.981 4.464 9.423 1.00 -0.73 N ATOM 99 CA SER A 7 -12.996 4.042 8.460 1.00 0.36 C ATOM 100 C SER A 7 -12.392 2.959 7.532 1.00 0.57 C ATOM 101 O SER A 7 -12.089 3.247 6.375 1.00 -0.57 O ATOM 102 CB SER A 7 -13.496 5.279 7.675 1.00 0.28 C ATOM 103 OG SER A 7 -14.885 5.495 7.847 1.00 -0.68 O ATOM 0 H SER A 7 -11.051 4.131 9.169 1.00 -0.73 H new ATOM 0 HA SER A 7 -13.856 3.603 8.965 1.00 0.36 H new ATOM 0 HB2 SER A 7 -12.949 6.162 8.005 1.00 0.28 H new ATOM 0 HB3 SER A 7 -13.279 5.147 6.615 1.00 0.28 H new ATOM 0 HG SER A 7 -15.159 6.286 7.337 1.00 -0.68 H new ATOM 109 N PRO A 8 -12.116 1.728 8.013 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.604 0.670 7.152 1.00 0.36 C ATOM 111 C PRO A 8 -12.689 0.262 6.150 1.00 0.57 C ATOM 112 O PRO A 8 -13.831 0.040 6.552 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.219 -0.485 8.080 1.00 0.00 C ATOM 114 CG PRO A 8 -12.095 -0.287 9.314 1.00 0.00 C ATOM 115 CD PRO A 8 -12.423 1.211 9.338 1.00 0.30 C ATOM 0 HA PRO A 8 -10.738 0.986 6.570 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.406 -1.451 7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.160 -0.454 8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.002 -0.888 9.253 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.572 -0.590 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.473 1.373 9.583 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -11.835 1.724 10.099 1.00 0.30 H new ATOM 123 N LYS A 9 -12.308 0.130 4.869 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.195 -0.077 3.724 1.00 0.36 C ATOM 125 C LYS A 9 -13.965 1.212 3.436 1.00 0.57 C ATOM 126 O LYS A 9 -14.765 1.691 4.238 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.126 -1.294 3.914 1.00 0.00 C ATOM 128 CG LYS A 9 -14.360 -2.089 2.620 1.00 0.00 C ATOM 129 CD LYS A 9 -15.043 -3.439 2.924 1.00 0.00 C ATOM 130 CE LYS A 9 -16.031 -3.878 1.837 1.00 0.50 C ATOM 131 NZ LYS A 9 -17.281 -3.082 1.872 1.00 -0.85 N ATOM 0 H LYS A 9 -11.326 0.167 4.596 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.587 -0.316 2.852 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.698 -1.956 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.086 -0.951 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.980 -1.508 1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.409 -2.262 2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.278 -4.207 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.570 -3.366 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.563 -3.776 0.858 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -16.269 -4.934 1.968 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -17.922 -3.410 1.122 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -17.742 -3.199 2.797 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.057 -2.078 1.722 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.709 1.780 2.261 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.444 2.916 1.738 1.00 0.36 C ATOM 147 C TRP A 10 -15.939 2.588 1.655 1.00 0.57 C ATOM 148 O TRP A 10 -16.322 1.438 1.436 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.873 3.268 0.361 1.00 0.18 C ATOM 150 CG TRP A 10 -12.381 3.414 0.318 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.487 2.407 0.164 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.583 4.630 0.461 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.207 2.915 0.182 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.212 4.282 0.295 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.879 5.990 0.706 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.190 5.235 0.305 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.851 6.948 0.791 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.517 6.566 0.585 1.00 -0.15 C ATOM 0 H TRP A 10 -12.970 1.454 1.638 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.337 3.774 2.401 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.169 2.495 -0.348 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.325 4.200 0.023 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.740 1.364 0.045 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.362 2.347 0.119 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.907 6.298 0.830 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.169 4.950 0.101 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.089 7.977 1.015 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.734 7.308 0.643 1.00 -0.15 H new ATOM 169 N THR A 11 -16.783 3.614 1.799 1.00 -0.73 N ATOM 170 CA THR A 11 -18.236 3.488 1.727 1.00 0.36 C ATOM 171 C THR A 11 -18.697 3.081 0.309 1.00 0.57 C ATOM 172 O THR A 11 -19.770 2.492 0.157 1.00 -0.57 O ATOM 173 CB THR A 11 -18.847 4.828 2.191 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.249 5.253 3.416 1.00 -0.68 O ATOM 175 CG2 THR A 11 -20.369 4.760 2.373 1.00 0.00 C ATOM 0 H THR A 11 -16.468 4.569 1.971 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.584 2.690 2.383 1.00 0.36 H new ATOM 0 HB THR A 11 -18.639 5.548 1.399 1.00 0.28 H new ATOM 0 HG1 THR A 11 -18.646 6.104 3.696 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -20.740 5.731 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.837 4.493 1.426 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.612 4.007 3.123 1.00 0.00 H new ATOM 183 N SER A 12 -17.892 3.364 -0.727 1.00 -0.73 N ATOM 184 CA SER A 12 -18.139 2.925 -2.094 1.00 0.36 C ATOM 185 C SER A 12 -17.398 1.613 -2.375 1.00 0.57 C ATOM 186 O SER A 12 -16.331 1.347 -1.821 1.00 -0.57 O ATOM 187 CB SER A 12 -17.694 4.020 -3.071 1.00 0.28 C ATOM 188 OG SER A 12 -17.930 3.615 -4.407 1.00 -0.68 O ATOM 0 H SER A 12 -17.039 3.914 -0.628 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.206 2.745 -2.227 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.235 4.943 -2.863 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.634 4.233 -2.931 1.00 0.28 H new ATOM 0 HG SER A 12 -17.643 4.324 -5.019 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.946 0.827 -3.308 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.304 -0.355 -3.881 1.00 0.36 C ATOM 196 C LYS A 13 -16.385 -0.014 -5.062 1.00 0.57 C ATOM 197 O LYS A 13 -15.732 -0.925 -5.573 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.391 -1.361 -4.301 1.00 0.00 C ATOM 199 CG LYS A 13 -18.733 -2.321 -3.150 1.00 0.00 C ATOM 200 CD LYS A 13 -20.216 -2.701 -3.093 1.00 0.00 C ATOM 201 CE LYS A 13 -21.026 -1.559 -2.453 1.00 0.50 C ATOM 202 NZ LYS A 13 -22.267 -2.051 -1.822 1.00 -0.85 N ATOM 0 H LYS A 13 -18.874 1.003 -3.694 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.663 -0.797 -3.118 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -19.288 -0.824 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.049 -1.931 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.137 -3.228 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.448 -1.859 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.587 -2.903 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.344 -3.617 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.414 -1.054 -1.705 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -21.274 -0.819 -3.214 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -22.784 -1.252 -1.403 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.863 -2.510 -2.540 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -22.030 -2.738 -1.078 1.00 -0.85 H new ATOM 216 N VAL A 14 -16.317 1.257 -5.481 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.444 1.717 -6.555 1.00 0.36 C ATOM 218 C VAL A 14 -14.632 2.897 -6.033 1.00 0.57 C ATOM 219 O VAL A 14 -15.165 3.985 -5.783 1.00 -0.57 O ATOM 220 CB VAL A 14 -16.221 2.003 -7.859 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.445 2.922 -7.696 1.00 0.00 C ATOM 222 CG2 VAL A 14 -15.281 2.576 -8.932 1.00 0.00 C ATOM 0 H VAL A 14 -16.880 2.003 -5.072 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.748 0.929 -6.842 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.615 1.035 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.925 3.064 -8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.153 2.466 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.125 3.888 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.846 2.771 -9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.841 3.506 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.489 1.858 -9.143 1.00 0.00 H new ATOM 232 N VAL A 15 -13.330 2.656 -5.875 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.413 3.560 -5.202 1.00 0.36 C ATOM 234 C VAL A 15 -11.391 4.033 -6.235 1.00 0.57 C ATOM 235 O VAL A 15 -10.754 3.217 -6.903 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.763 2.820 -4.018 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.900 3.775 -3.201 1.00 0.00 C ATOM 238 CG2 VAL A 15 -12.808 2.215 -3.068 1.00 0.00 C ATOM 0 H VAL A 15 -12.880 1.808 -6.220 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.920 4.434 -4.794 1.00 0.36 H new ATOM 0 HB VAL A 15 -11.162 2.020 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.448 3.236 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.115 4.188 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.519 4.585 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -12.302 1.704 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -13.438 3.009 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.427 1.503 -3.614 1.00 0.00 H new ATOM 248 N THR A 16 -11.244 5.343 -6.410 1.00 -0.73 N ATOM 249 CA THR A 16 -10.353 5.878 -7.432 1.00 0.36 C ATOM 250 C THR A 16 -8.961 6.140 -6.845 1.00 0.57 C ATOM 251 O THR A 16 -8.839 6.436 -5.656 1.00 -0.57 O ATOM 252 CB THR A 16 -10.988 7.074 -8.163 1.00 0.28 C ATOM 253 OG1 THR A 16 -10.032 7.697 -8.988 1.00 -0.68 O ATOM 254 CG2 THR A 16 -11.634 8.133 -7.265 1.00 0.00 C ATOM 0 H THR A 16 -11.729 6.051 -5.859 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.204 5.133 -8.213 1.00 0.36 H new ATOM 0 HB THR A 16 -11.803 6.640 -8.742 1.00 0.28 H new ATOM 0 HG1 THR A 16 -9.919 8.630 -8.711 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -12.050 8.929 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.431 7.676 -6.678 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.882 8.549 -6.594 1.00 0.00 H new ATOM 262 N TYR A 17 -7.921 6.074 -7.688 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.551 6.397 -7.309 1.00 0.36 C ATOM 264 C TYR A 17 -5.967 7.498 -8.199 1.00 0.57 C ATOM 265 O TYR A 17 -6.372 7.666 -9.354 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.667 5.131 -7.274 1.00 0.14 C ATOM 267 CG TYR A 17 -5.428 4.431 -8.595 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.370 3.502 -9.069 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.253 4.674 -9.330 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -6.183 2.873 -10.313 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -4.041 4.027 -10.560 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.018 3.144 -11.072 1.00 0.08 C ATOM 273 OH TYR A 17 -4.846 2.576 -12.299 1.00 -0.53 O ATOM 0 H TYR A 17 -8.016 5.790 -8.663 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.568 6.796 -6.295 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.699 5.404 -6.854 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.123 4.417 -6.588 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.242 3.270 -8.475 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.511 5.360 -8.948 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -6.926 2.185 -10.689 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -3.131 4.205 -11.114 1.00 -0.15 H new ATOM 0 HH TYR A 17 -3.993 2.872 -12.680 1.00 -0.53 H new ATOM 283 N ARG A 18 -4.996 8.254 -7.661 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.273 9.267 -8.433 1.00 0.36 C ATOM 285 C ARG A 18 -2.852 9.417 -7.917 1.00 0.57 C ATOM 286 O ARG A 18 -2.618 9.817 -6.778 1.00 -0.57 O ATOM 287 CB ARG A 18 -4.990 10.628 -8.419 1.00 0.00 C ATOM 288 CG ARG A 18 -4.506 11.552 -9.553 1.00 0.00 C ATOM 289 CD ARG A 18 -4.935 11.034 -10.940 1.00 0.33 C ATOM 290 NE ARG A 18 -3.814 10.556 -11.774 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.097 11.296 -12.637 1.00 1.20 C ATOM 292 NH1 ARG A 18 -3.299 12.610 -12.737 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -2.175 10.714 -13.402 1.00 -0.97 N ATOM 0 H ARG A 18 -4.696 8.179 -6.689 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.244 8.923 -9.467 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -6.065 10.472 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.822 11.115 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.906 12.554 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.420 11.633 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.649 10.221 -10.808 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.455 11.832 -11.470 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.560 9.572 -11.687 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -4.003 13.063 -12.155 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.749 13.162 -13.395 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -2.015 9.709 -13.332 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -1.629 11.273 -14.058 1.00 -0.97 H new ATOM 307 N ILE A 19 -1.898 9.117 -8.786 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.487 9.231 -8.496 1.00 0.36 C ATOM 309 C ILE A 19 -0.119 10.688 -8.859 1.00 0.57 C ATOM 310 O ILE A 19 0.137 10.992 -10.022 1.00 -0.57 O ATOM 311 CB ILE A 19 0.262 8.101 -9.251 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.317 6.678 -9.014 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.731 8.083 -8.817 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.045 5.719 -10.176 1.00 0.00 C ATOM 0 H ILE A 19 -2.093 8.781 -9.729 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.199 9.078 -7.456 1.00 0.36 H new ATOM 0 HB ILE A 19 0.143 8.329 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.112 6.265 -8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.393 6.752 -8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.257 7.289 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.191 9.043 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.791 7.904 -7.743 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.474 4.743 -9.950 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.498 6.112 -11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.031 5.618 -10.320 1.00 0.00 H new ATOM 326 N VAL A 20 -0.237 11.619 -7.898 1.00 -0.73 N ATOM 327 CA VAL A 20 0.027 13.057 -8.101 1.00 0.36 C ATOM 328 C VAL A 20 1.516 13.343 -8.335 1.00 0.57 C ATOM 329 O VAL A 20 1.863 14.271 -9.060 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.461 13.917 -6.907 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.965 14.209 -6.997 1.00 0.00 C ATOM 332 CG2 VAL A 20 -0.134 13.311 -5.534 1.00 0.00 C ATOM 0 H VAL A 20 -0.522 11.393 -6.945 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.536 13.332 -8.993 1.00 0.36 H new ATOM 0 HB VAL A 20 0.095 14.851 -6.987 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.270 14.814 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.176 14.751 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.519 13.270 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.506 13.968 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.609 12.334 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.946 13.200 -5.433 1.00 0.00 H new ATOM 342 N SER A 21 2.381 12.537 -7.720 1.00 -0.73 N ATOM 343 CA SER A 21 3.830 12.567 -7.832 1.00 0.36 C ATOM 344 C SER A 21 4.236 11.099 -7.973 1.00 0.57 C ATOM 345 O SER A 21 3.477 10.221 -7.558 1.00 -0.57 O ATOM 346 CB SER A 21 4.431 13.278 -6.599 1.00 0.28 C ATOM 347 OG SER A 21 5.801 12.963 -6.423 1.00 -0.68 O ATOM 0 H SER A 21 2.063 11.800 -7.091 1.00 -0.73 H new ATOM 0 HA SER A 21 4.203 13.134 -8.685 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.318 14.356 -6.711 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.875 12.990 -5.707 1.00 0.28 H new ATOM 0 HG SER A 21 6.098 13.276 -5.543 1.00 -0.68 H new ATOM 353 N TYR A 22 5.416 10.834 -8.538 1.00 -0.73 N ATOM 354 CA TYR A 22 5.909 9.501 -8.871 1.00 0.36 C ATOM 355 C TYR A 22 7.374 9.418 -8.414 1.00 0.57 C ATOM 356 O TYR A 22 7.977 10.436 -8.082 1.00 -0.57 O ATOM 357 CB TYR A 22 5.784 9.217 -10.380 1.00 0.14 C ATOM 358 CG TYR A 22 4.397 9.351 -11.002 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.839 10.629 -11.207 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.693 8.212 -11.446 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.581 10.773 -11.809 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.438 8.345 -12.070 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.868 9.630 -12.235 1.00 0.08 C ATOM 364 OH TYR A 22 0.625 9.762 -12.774 1.00 -0.53 O ATOM 0 H TYR A 22 6.077 11.571 -8.784 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.310 8.745 -8.362 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.458 9.892 -10.908 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.140 8.203 -10.564 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.386 11.507 -10.897 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 4.120 7.230 -11.306 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.157 11.757 -11.947 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.912 7.470 -12.422 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.029 10.186 -12.122 1.00 -0.53 H new ATOM 374 N THR A 23 7.939 8.208 -8.388 1.00 -0.73 N ATOM 375 CA THR A 23 9.362 7.999 -8.125 1.00 0.36 C ATOM 376 C THR A 23 10.235 8.530 -9.284 1.00 0.57 C ATOM 377 O THR A 23 9.733 9.095 -10.260 1.00 -0.57 O ATOM 378 CB THR A 23 9.595 6.507 -7.805 1.00 0.28 C ATOM 379 OG1 THR A 23 10.874 6.309 -7.239 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.482 5.599 -9.031 1.00 0.00 C ATOM 0 H THR A 23 7.420 7.345 -8.549 1.00 -0.73 H new ATOM 0 HA THR A 23 9.672 8.577 -7.254 1.00 0.36 H new ATOM 0 HB THR A 23 8.807 6.238 -7.101 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.779 5.921 -6.344 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.657 4.565 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.484 5.690 -9.460 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.224 5.895 -9.772 1.00 0.00 H new ATOM 388 N ARG A 24 11.550 8.293 -9.187 1.00 -0.73 N ATOM 389 CA ARG A 24 12.552 8.767 -10.144 1.00 0.36 C ATOM 390 C ARG A 24 13.322 7.598 -10.766 1.00 0.57 C ATOM 391 O ARG A 24 13.546 7.601 -11.975 1.00 -0.57 O ATOM 392 CB ARG A 24 13.474 9.782 -9.432 1.00 0.00 C ATOM 393 CG ARG A 24 14.034 10.876 -10.352 1.00 0.00 C ATOM 394 CD ARG A 24 15.217 10.435 -11.228 1.00 0.33 C ATOM 395 NE ARG A 24 15.443 11.389 -12.326 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.090 12.561 -12.256 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.825 12.903 -11.197 1.00 -0.97 N ATOM 398 NH2 ARG A 24 15.986 13.418 -13.272 1.00 -0.97 N ATOM 0 H ARG A 24 11.954 7.753 -8.422 1.00 -0.73 H new ATOM 0 HA ARG A 24 12.064 9.273 -10.977 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.919 10.254 -8.621 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.306 9.244 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.233 11.232 -11.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.348 11.721 -9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.117 10.357 -10.618 1.00 0.33 H new ATOM 0 HD3 ARG A 24 15.022 9.444 -11.637 1.00 0.33 H new ATOM 0 HE ARG A 24 15.067 11.131 -13.238 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 16.908 12.264 -10.406 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 17.304 13.803 -11.178 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 15.421 13.178 -14.086 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 16.472 14.314 -13.235 1.00 -0.97 H new ATOM 412 N ASP A 25 13.685 6.595 -9.951 1.00 -0.73 N ATOM 413 CA ASP A 25 14.392 5.379 -10.378 1.00 0.36 C ATOM 414 C ASP A 25 13.625 4.632 -11.477 1.00 0.57 C ATOM 415 O ASP A 25 14.218 4.139 -12.440 1.00 -0.57 O ATOM 416 CB ASP A 25 14.538 4.432 -9.171 1.00 0.06 C ATOM 417 CG ASP A 25 15.918 4.454 -8.517 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.983 4.958 -7.408 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.924 3.892 -9.181 1.00 -0.65 O ATOM 0 H ASP A 25 13.489 6.609 -8.950 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.364 5.680 -10.770 1.00 0.36 H new ATOM 0 HB2 ASP A 25 13.791 4.698 -8.423 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.318 3.414 -9.494 1.00 0.06 H new ATOM 425 N LEU A 26 12.298 4.554 -11.319 1.00 -0.73 N ATOM 426 CA LEU A 26 11.400 3.772 -12.159 1.00 0.36 C ATOM 427 C LEU A 26 10.448 4.743 -12.868 1.00 0.57 C ATOM 428 O LEU A 26 10.031 5.728 -12.255 1.00 -0.57 O ATOM 429 CB LEU A 26 10.585 2.770 -11.318 1.00 0.00 C ATOM 430 CG LEU A 26 11.397 1.869 -10.366 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.437 1.031 -9.514 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.368 0.956 -11.125 1.00 0.00 C ATOM 0 H LEU A 26 11.809 5.053 -10.576 1.00 -0.73 H new ATOM 0 HA LEU A 26 11.984 3.203 -12.882 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.859 3.328 -10.727 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.020 2.131 -11.997 1.00 0.00 H new ATOM 0 HG LEU A 26 11.997 2.513 -9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.010 0.394 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.797 1.692 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.821 0.410 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.919 0.340 -10.414 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.808 0.314 -11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.069 1.565 -11.696 1.00 0.00 H new ATOM 444 N PRO A 27 10.084 4.496 -14.140 1.00 -0.66 N ATOM 445 CA PRO A 27 9.237 5.412 -14.885 1.00 0.36 C ATOM 446 C PRO A 27 7.795 5.417 -14.368 1.00 0.57 C ATOM 447 O PRO A 27 7.315 4.457 -13.760 1.00 -0.57 O ATOM 448 CB PRO A 27 9.335 4.990 -16.351 1.00 0.00 C ATOM 449 CG PRO A 27 9.890 3.569 -16.339 1.00 0.00 C ATOM 450 CD PRO A 27 10.502 3.367 -14.953 1.00 0.30 C ATOM 0 HA PRO A 27 9.573 6.442 -14.761 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.358 5.024 -16.834 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.989 5.661 -16.908 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.101 2.841 -16.527 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.639 3.436 -17.119 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.163 2.428 -14.514 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.589 3.316 -15.014 1.00 0.30 H new ATOM 458 N HIS A 28 7.083 6.507 -14.668 1.00 -0.73 N ATOM 459 CA HIS A 28 5.756 6.778 -14.127 1.00 0.36 C ATOM 460 C HIS A 28 4.734 5.775 -14.677 1.00 0.57 C ATOM 461 O HIS A 28 3.841 5.328 -13.956 1.00 -0.57 O ATOM 462 CB HIS A 28 5.345 8.209 -14.501 1.00 0.17 C ATOM 463 CG HIS A 28 6.183 9.341 -13.933 1.00 0.18 C ATOM 464 ND1 HIS A 28 5.713 10.611 -13.690 1.00 -0.70 N ATOM 465 CD2 HIS A 28 7.515 9.351 -13.601 1.00 0.20 C ATOM 466 CE1 HIS A 28 6.732 11.358 -13.230 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.863 10.638 -13.184 1.00 -0.70 N ATOM 0 H HIS A 28 7.420 7.232 -15.301 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.783 6.675 -13.042 1.00 0.36 H new ATOM 0 HB2 HIS A 28 5.358 8.291 -15.588 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.314 8.359 -14.182 1.00 0.17 H new ATOM 0 HD2 HIS A 28 8.183 8.504 -13.654 1.00 0.20 H new ATOM 0 HE1 HIS A 28 6.651 12.395 -12.938 1.00 0.65 H new ATOM 0 HE2 HIS A 28 8.788 10.964 -12.902 1.00 -0.70 H new ATOM 476 N ILE A 29 4.890 5.396 -15.952 1.00 -0.73 N ATOM 477 CA ILE A 29 4.080 4.373 -16.601 1.00 0.36 C ATOM 478 C ILE A 29 4.330 2.999 -15.970 1.00 0.57 C ATOM 479 O ILE A 29 3.374 2.260 -15.748 1.00 -0.57 O ATOM 480 CB ILE A 29 4.318 4.386 -18.129 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.439 3.316 -18.817 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.805 4.224 -18.520 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.172 3.622 -20.295 1.00 0.00 C ATOM 0 H ILE A 29 5.596 5.802 -16.566 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.025 4.598 -16.443 1.00 0.36 H new ATOM 0 HB ILE A 29 4.024 5.374 -18.485 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.927 2.345 -18.735 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.488 3.240 -18.290 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.900 4.242 -19.606 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.385 5.041 -18.092 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.180 3.274 -18.139 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.550 2.836 -20.723 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.657 4.579 -20.381 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.118 3.669 -20.834 1.00 0.00 H new ATOM 495 N THR A 30 5.589 2.670 -15.648 1.00 -0.73 N ATOM 496 CA THR A 30 5.903 1.448 -14.923 1.00 0.36 C ATOM 497 C THR A 30 5.235 1.520 -13.551 1.00 0.57 C ATOM 498 O THR A 30 4.574 0.557 -13.189 1.00 -0.57 O ATOM 499 CB THR A 30 7.427 1.230 -14.860 1.00 0.28 C ATOM 500 OG1 THR A 30 7.898 0.751 -16.112 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.876 0.231 -13.791 1.00 0.00 C ATOM 0 H THR A 30 6.402 3.240 -15.882 1.00 -0.73 H new ATOM 0 HA THR A 30 5.509 0.573 -15.440 1.00 0.36 H new ATOM 0 HB THR A 30 7.845 2.203 -14.603 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.868 0.616 -16.067 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.962 0.136 -13.814 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.564 0.585 -12.808 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.423 -0.741 -13.988 1.00 0.00 H new ATOM 509 N VAL A 31 5.333 2.644 -12.825 1.00 -0.73 N ATOM 510 CA VAL A 31 4.633 2.810 -11.553 1.00 0.36 C ATOM 511 C VAL A 31 3.130 2.561 -11.725 1.00 0.57 C ATOM 512 O VAL A 31 2.598 1.764 -10.961 1.00 -0.57 O ATOM 513 CB VAL A 31 4.973 4.172 -10.908 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.966 4.594 -9.828 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.372 4.125 -10.282 1.00 0.00 C ATOM 0 H VAL A 31 5.893 3.450 -13.102 1.00 -0.73 H new ATOM 0 HA VAL A 31 4.983 2.055 -10.849 1.00 0.36 H new ATOM 0 HB VAL A 31 4.931 4.909 -11.710 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.260 5.558 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.973 4.676 -10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.950 3.847 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.601 5.090 -9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.402 3.350 -9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.109 3.902 -11.054 1.00 0.00 H new ATOM 525 N ASP A 32 2.449 3.162 -12.712 1.00 -0.73 N ATOM 526 CA ASP A 32 1.014 2.920 -12.923 1.00 0.36 C ATOM 527 C ASP A 32 0.731 1.457 -13.286 1.00 0.57 C ATOM 528 O ASP A 32 -0.222 0.890 -12.766 1.00 -0.57 O ATOM 529 CB ASP A 32 0.438 3.858 -13.992 1.00 0.06 C ATOM 530 CG ASP A 32 -1.070 3.636 -14.212 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.416 3.150 -15.276 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.921 4.051 -13.278 1.00 -0.65 O ATOM 0 H ASP A 32 2.866 3.816 -13.374 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.516 3.133 -11.977 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.611 4.893 -13.696 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.967 3.702 -14.932 1.00 0.06 H new ATOM 538 N ARG A 33 1.559 0.812 -14.120 1.00 -0.73 N ATOM 539 CA ARG A 33 1.409 -0.614 -14.447 1.00 0.36 C ATOM 540 C ARG A 33 1.579 -1.493 -13.212 1.00 0.57 C ATOM 541 O ARG A 33 0.785 -2.409 -12.997 1.00 -0.57 O ATOM 542 CB ARG A 33 2.433 -1.032 -15.520 1.00 0.00 C ATOM 543 CG ARG A 33 1.842 -1.144 -16.929 1.00 0.00 C ATOM 544 CD ARG A 33 1.151 0.141 -17.400 1.00 0.33 C ATOM 545 NE ARG A 33 1.010 0.133 -18.860 1.00 -0.84 N ATOM 546 CZ ARG A 33 -0.032 0.549 -19.585 1.00 1.20 C ATOM 547 NH1 ARG A 33 -1.095 1.135 -19.022 1.00 -0.97 N ATOM 548 NH2 ARG A 33 0.031 0.356 -20.896 1.00 -0.97 N ATOM 0 H ARG A 33 2.348 1.261 -14.585 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.399 -0.754 -14.833 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.247 -0.307 -15.534 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.866 -1.992 -15.241 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.637 -1.399 -17.630 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.124 -1.963 -16.950 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.170 0.227 -16.933 1.00 0.33 H new ATOM 0 HD3 ARG A 33 1.730 1.010 -17.088 1.00 0.33 H new ATOM 0 HE ARG A 33 1.803 -0.235 -19.385 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 -1.125 1.275 -18.012 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 -1.875 1.442 -19.603 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 0.850 -0.092 -21.307 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.740 0.656 -21.493 1.00 -0.97 H new ATOM 562 N LEU A 34 2.615 -1.222 -12.420 1.00 -0.73 N ATOM 563 CA LEU A 34 2.934 -1.951 -11.205 1.00 0.36 C ATOM 564 C LEU A 34 1.831 -1.726 -10.169 1.00 0.57 C ATOM 565 O LEU A 34 1.371 -2.691 -9.568 1.00 -0.57 O ATOM 566 CB LEU A 34 4.336 -1.535 -10.721 1.00 0.00 C ATOM 567 CG LEU A 34 5.476 -2.442 -11.256 1.00 0.00 C ATOM 568 CD1 LEU A 34 5.481 -2.678 -12.775 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.829 -1.866 -10.815 1.00 0.00 C ATOM 0 H LEU A 34 3.271 -0.466 -12.616 1.00 -0.73 H new ATOM 0 HA LEU A 34 2.970 -3.025 -11.386 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.527 -0.507 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.353 -1.549 -9.631 1.00 0.00 H new ATOM 0 HG LEU A 34 5.293 -3.425 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.318 -3.324 -13.040 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.547 -3.154 -13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.582 -1.723 -13.291 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.633 -2.500 -11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.944 -0.859 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.871 -1.829 -9.726 1.00 0.00 H new ATOM 581 N VAL A 35 1.334 -0.497 -10.007 1.00 -0.73 N ATOM 582 CA VAL A 35 0.156 -0.221 -9.192 1.00 0.36 C ATOM 583 C VAL A 35 -1.067 -0.949 -9.749 1.00 0.57 C ATOM 584 O VAL A 35 -1.779 -1.560 -8.963 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.033 1.307 -9.022 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.487 1.766 -8.854 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.778 1.756 -7.795 1.00 0.00 C ATOM 0 H VAL A 35 1.740 0.333 -10.439 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.298 -0.618 -8.187 1.00 0.36 H new ATOM 0 HB VAL A 35 0.314 1.766 -9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.516 2.850 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.064 1.476 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.916 1.298 -7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.661 2.831 -7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.418 1.233 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.832 1.523 -7.950 1.00 0.00 H new ATOM 597 N SER A 36 -1.300 -0.958 -11.070 1.00 -0.73 N ATOM 598 CA SER A 36 -2.422 -1.676 -11.658 1.00 0.36 C ATOM 599 C SER A 36 -2.346 -3.162 -11.323 1.00 0.57 C ATOM 600 O SER A 36 -3.308 -3.677 -10.756 1.00 -0.57 O ATOM 601 CB SER A 36 -2.501 -1.446 -13.176 1.00 0.28 C ATOM 602 OG SER A 36 -3.407 -0.398 -13.458 1.00 -0.68 O ATOM 0 H SER A 36 -0.717 -0.470 -11.749 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.340 -1.280 -11.224 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.514 -1.200 -13.567 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.823 -2.360 -13.675 1.00 0.28 H new ATOM 0 HG SER A 36 -3.451 -0.256 -14.427 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.228 -3.857 -11.594 1.00 -0.73 N ATOM 609 CA LYS A 37 -1.129 -5.282 -11.253 1.00 0.36 C ATOM 610 C LYS A 37 -1.200 -5.516 -9.731 1.00 0.57 C ATOM 611 O LYS A 37 -1.813 -6.495 -9.309 1.00 -0.57 O ATOM 612 CB LYS A 37 0.086 -5.971 -11.914 1.00 0.00 C ATOM 613 CG LYS A 37 1.445 -5.404 -11.475 1.00 0.00 C ATOM 614 CD LYS A 37 2.558 -6.426 -11.234 1.00 0.00 C ATOM 615 CE LYS A 37 3.234 -6.852 -12.539 1.00 0.50 C ATOM 616 NZ LYS A 37 4.646 -7.229 -12.327 1.00 -0.85 N ATOM 0 H LYS A 37 -0.398 -3.464 -12.038 1.00 -0.73 H new ATOM 0 HA LYS A 37 -2.006 -5.768 -11.680 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.057 -7.036 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.002 -5.878 -12.996 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.785 -4.701 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.298 -4.835 -10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.303 -6.000 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.144 -7.303 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.694 -7.695 -12.970 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.180 -6.036 -13.260 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 5.070 -7.512 -13.234 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 5.168 -6.417 -11.939 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 4.696 -8.024 -11.659 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.634 -4.626 -8.902 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.639 -4.772 -7.446 1.00 0.36 C ATOM 632 C ALA A 38 -2.036 -4.542 -6.852 1.00 0.57 C ATOM 633 O ALA A 38 -2.471 -5.296 -5.981 1.00 -0.57 O ATOM 634 CB ALA A 38 0.365 -3.791 -6.833 1.00 0.00 C ATOM 0 H ALA A 38 -0.160 -3.784 -9.228 1.00 -0.73 H new ATOM 0 HA ALA A 38 -0.350 -5.796 -7.207 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.363 -3.898 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.363 -4.004 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.085 -2.771 -7.097 1.00 0.00 H new ATOM 640 N LEU A 39 -2.764 -3.531 -7.340 1.00 -0.73 N ATOM 641 CA LEU A 39 -4.165 -3.327 -6.996 1.00 0.36 C ATOM 642 C LEU A 39 -5.006 -4.475 -7.544 1.00 0.57 C ATOM 643 O LEU A 39 -5.934 -4.898 -6.863 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.696 -1.983 -7.524 1.00 0.00 C ATOM 645 CG LEU A 39 -4.232 -0.757 -6.713 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.645 0.535 -7.425 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.820 -0.741 -5.289 1.00 0.00 C ATOM 0 H LEU A 39 -2.392 -2.834 -7.985 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.240 -3.305 -5.909 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.378 -1.861 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.786 -2.012 -7.527 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.147 -0.824 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.312 1.394 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.188 0.568 -8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.730 0.564 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.464 0.142 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.908 -0.716 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.505 -1.637 -4.755 1.00 0.00 H new ATOM 659 N ASN A 40 -4.669 -5.028 -8.718 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.316 -6.238 -9.218 1.00 0.36 C ATOM 661 C ASN A 40 -5.114 -7.382 -8.226 1.00 0.57 C ATOM 662 O ASN A 40 -6.071 -8.092 -7.947 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.794 -6.654 -10.611 1.00 0.06 C ATOM 664 CG ASN A 40 -5.875 -6.822 -11.675 1.00 0.57 C ATOM 665 OD1 ASN A 40 -7.027 -6.444 -11.508 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -5.507 -7.389 -12.818 1.00 -0.80 N ATOM 0 H ASN A 40 -3.950 -4.652 -9.336 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.378 -6.017 -9.323 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.079 -5.906 -10.954 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -4.250 -7.594 -10.514 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -6.187 -7.513 -13.568 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -4.544 -7.700 -12.946 1.00 -0.80 H new ATOM 673 N MET A 41 -3.914 -7.554 -7.672 1.00 -0.73 N ATOM 674 CA MET A 41 -3.672 -8.574 -6.651 1.00 0.36 C ATOM 675 C MET A 41 -4.522 -8.310 -5.397 1.00 0.57 C ATOM 676 O MET A 41 -5.118 -9.255 -4.889 1.00 -0.57 O ATOM 677 CB MET A 41 -2.177 -8.681 -6.323 1.00 0.00 C ATOM 678 CG MET A 41 -1.342 -9.281 -7.465 1.00 0.23 C ATOM 679 SD MET A 41 0.347 -8.624 -7.636 1.00 -0.46 S ATOM 680 CE MET A 41 1.028 -8.920 -5.982 1.00 0.23 C ATOM 0 H MET A 41 -3.093 -6.999 -7.913 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.982 -9.539 -7.052 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.793 -7.689 -6.085 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.052 -9.294 -5.430 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.280 -10.359 -7.317 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.872 -9.118 -8.403 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.064 -8.582 -5.949 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.443 -8.371 -5.244 1.00 0.23 H new ATOM 0 HE3 MET A 41 0.987 -9.986 -5.757 1.00 0.23 H new ATOM 690 N TRP A 42 -4.663 -7.058 -4.938 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.589 -6.729 -3.846 1.00 0.36 C ATOM 692 C TRP A 42 -7.047 -7.066 -4.218 1.00 0.57 C ATOM 693 O TRP A 42 -7.735 -7.770 -3.479 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.425 -5.251 -3.435 1.00 0.18 C ATOM 695 CG TRP A 42 -4.450 -5.020 -2.321 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -3.114 -4.836 -2.436 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.723 -4.998 -0.886 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.548 -4.744 -1.178 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.483 -4.944 -0.193 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.892 -5.043 -0.098 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.405 -5.055 1.198 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.825 -5.084 1.309 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.580 -5.130 1.955 1.00 -0.15 C ATOM 0 H TRP A 42 -4.148 -6.258 -5.306 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.338 -7.348 -2.984 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.105 -4.678 -4.306 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.398 -4.860 -3.136 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.573 -4.771 -3.368 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.561 -4.552 -1.004 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.857 -5.046 -0.582 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.442 -5.083 1.687 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.734 -5.080 1.892 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.529 -5.223 3.030 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.511 -6.620 -5.389 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.878 -6.823 -5.869 1.00 0.36 C ATOM 716 C GLY A 43 -9.153 -8.240 -6.373 1.00 0.57 C ATOM 717 O GLY A 43 -10.290 -8.568 -6.692 1.00 -0.57 O ATOM 0 H GLY A 43 -6.931 -6.095 -6.044 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.574 -6.593 -5.062 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -9.079 -6.116 -6.674 1.00 0.36 H new ATOM 721 N LYS A 44 -8.139 -9.107 -6.443 1.00 -0.73 N ATOM 722 CA LYS A 44 -8.331 -10.524 -6.718 1.00 0.36 C ATOM 723 C LYS A 44 -8.824 -11.255 -5.471 1.00 0.57 C ATOM 724 O LYS A 44 -9.459 -12.307 -5.614 1.00 -0.57 O ATOM 725 CB LYS A 44 -7.035 -11.121 -7.307 1.00 0.00 C ATOM 726 CG LYS A 44 -7.094 -10.997 -8.839 1.00 0.00 C ATOM 727 CD LYS A 44 -5.784 -11.307 -9.578 1.00 0.00 C ATOM 728 CE LYS A 44 -6.115 -11.236 -11.079 1.00 0.50 C ATOM 729 NZ LYS A 44 -5.092 -11.830 -11.960 1.00 -0.85 N ATOM 0 H LYS A 44 -7.163 -8.841 -6.310 1.00 -0.73 H new ATOM 0 HA LYS A 44 -9.111 -10.654 -7.468 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -6.164 -10.594 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.932 -12.166 -7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.868 -11.668 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.403 -9.983 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.008 -10.588 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.408 -12.294 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.064 -11.742 -11.253 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -6.255 -10.192 -11.358 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -5.393 -11.740 -12.951 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -4.188 -11.334 -11.826 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.973 -12.836 -11.724 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.605 -10.693 -4.273 1.00 -0.73 N ATOM 744 CA GLU A 45 -8.972 -11.314 -3.004 1.00 0.36 C ATOM 745 C GLU A 45 -10.330 -10.780 -2.491 1.00 0.57 C ATOM 746 O GLU A 45 -10.901 -11.397 -1.593 1.00 -0.57 O ATOM 747 CB GLU A 45 -7.862 -11.085 -1.958 1.00 0.00 C ATOM 748 CG GLU A 45 -6.396 -11.415 -2.344 1.00 0.06 C ATOM 749 CD GLU A 45 -5.927 -12.904 -2.443 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.526 -13.783 -1.845 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -4.837 -13.141 -3.167 1.00 -0.65 O ATOM 0 H GLU A 45 -8.161 -9.781 -4.163 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.081 -12.386 -3.168 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -7.898 -10.037 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.112 -11.674 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.203 -10.950 -3.311 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -5.751 -10.920 -1.618 1.00 0.06 H new ATOM 759 N ILE A 46 -10.874 -9.679 -3.051 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.166 -9.094 -2.656 1.00 0.36 C ATOM 761 C ILE A 46 -12.938 -8.561 -3.863 1.00 0.57 C ATOM 762 O ILE A 46 -12.314 -8.052 -4.786 1.00 -0.57 O ATOM 763 CB ILE A 46 -12.001 -7.944 -1.627 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.954 -6.863 -1.981 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.704 -8.581 -0.279 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.942 -5.682 -0.995 1.00 0.00 C ATOM 0 H ILE A 46 -10.417 -9.165 -3.804 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.727 -9.906 -2.193 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.935 -7.382 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.964 -7.319 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -11.154 -6.488 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.581 -7.801 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.530 -9.232 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.787 -9.167 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.185 -4.960 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.921 -5.202 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.712 -6.046 0.006 1.00 0.00 H new ATOM 778 N PRO A 47 -14.288 -8.546 -3.837 1.00 -0.66 N ATOM 779 CA PRO A 47 -15.107 -8.006 -4.928 1.00 0.36 C ATOM 780 C PRO A 47 -15.072 -6.463 -5.018 1.00 0.57 C ATOM 781 O PRO A 47 -15.887 -5.859 -5.715 1.00 -0.57 O ATOM 782 CB PRO A 47 -16.515 -8.560 -4.670 1.00 0.00 C ATOM 783 CG PRO A 47 -16.580 -8.727 -3.152 1.00 0.00 C ATOM 784 CD PRO A 47 -15.134 -9.028 -2.750 1.00 0.30 C ATOM 0 HA PRO A 47 -14.723 -8.313 -5.901 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -17.284 -7.876 -5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.669 -9.510 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.949 -7.824 -2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.250 -9.538 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.881 -8.531 -1.813 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.990 -10.097 -2.593 1.00 0.30 H new ATOM 792 N LEU A 48 -14.150 -5.803 -4.316 1.00 -0.73 N ATOM 793 CA LEU A 48 -14.000 -4.353 -4.309 1.00 0.36 C ATOM 794 C LEU A 48 -13.246 -3.954 -5.580 1.00 0.57 C ATOM 795 O LEU A 48 -12.284 -4.623 -5.957 1.00 -0.57 O ATOM 796 CB LEU A 48 -13.253 -3.976 -3.019 1.00 0.00 C ATOM 797 CG LEU A 48 -13.603 -2.595 -2.437 1.00 0.00 C ATOM 798 CD1 LEU A 48 -13.228 -2.578 -0.947 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.891 -1.446 -3.148 1.00 0.00 C ATOM 0 H LEU A 48 -13.470 -6.278 -3.722 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.952 -3.822 -4.313 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -13.461 -4.734 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.182 -4.008 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.673 -2.442 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.471 -1.604 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.787 -3.353 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.160 -2.765 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.180 -0.500 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.812 -1.577 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.172 -1.440 -4.201 1.00 0.00 H new ATOM 811 N HIS A 49 -13.682 -2.879 -6.238 1.00 -0.73 N ATOM 812 CA HIS A 49 -13.156 -2.464 -7.533 1.00 0.36 C ATOM 813 C HIS A 49 -12.546 -1.067 -7.416 1.00 0.57 C ATOM 814 O HIS A 49 -12.766 -0.345 -6.438 1.00 -0.57 O ATOM 815 CB HIS A 49 -14.277 -2.527 -8.585 1.00 0.17 C ATOM 816 CG HIS A 49 -14.665 -3.931 -9.000 1.00 0.18 C ATOM 817 ND1 HIS A 49 -15.226 -4.915 -8.213 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.525 -4.469 -10.253 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.407 -6.004 -8.975 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.993 -5.788 -10.232 1.00 -0.70 N ATOM 0 H HIS A 49 -14.417 -2.268 -5.881 1.00 -0.73 H new ATOM 0 HA HIS A 49 -12.363 -3.139 -7.856 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -15.158 -2.021 -8.191 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.961 -1.974 -9.469 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.462 -4.830 -7.224 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -14.120 -3.959 -11.115 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.831 -6.933 -8.622 1.00 0.65 H new ATOM 829 N PHE A 50 -11.769 -0.672 -8.426 1.00 -0.73 N ATOM 830 CA PHE A 50 -11.013 0.571 -8.398 1.00 0.36 C ATOM 831 C PHE A 50 -11.124 1.252 -9.755 1.00 0.57 C ATOM 832 O PHE A 50 -11.469 0.608 -10.749 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.537 0.341 -7.992 1.00 0.14 C ATOM 834 CG PHE A 50 -9.283 -0.887 -7.140 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.628 -0.898 -5.775 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.780 -2.054 -7.744 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -9.496 -2.083 -5.030 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.655 -3.237 -6.998 1.00 -0.15 C ATOM 839 CZ PHE A 50 -9.015 -3.251 -5.640 1.00 -0.15 C ATOM 0 H PHE A 50 -11.649 -1.209 -9.285 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.438 1.224 -7.636 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.936 0.265 -8.898 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -9.186 1.219 -7.449 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.993 0.001 -5.302 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.489 -2.040 -8.784 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.766 -2.094 -3.984 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.282 -4.135 -7.468 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.921 -4.161 -5.066 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.818 2.548 -9.804 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.820 3.331 -11.037 1.00 0.36 C ATOM 851 C ARG A 51 -9.690 4.359 -10.965 1.00 0.57 C ATOM 852 O ARG A 51 -8.996 4.440 -9.955 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.201 3.997 -11.224 1.00 0.00 C ATOM 854 CG ARG A 51 -12.603 4.172 -12.705 1.00 0.00 C ATOM 855 CD ARG A 51 -13.129 5.587 -12.971 1.00 0.33 C ATOM 856 NE ARG A 51 -13.718 5.739 -14.317 1.00 -0.84 N ATOM 857 CZ ARG A 51 -14.648 6.648 -14.649 1.00 1.20 C ATOM 858 NH1 ARG A 51 -15.107 7.532 -13.755 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.142 6.659 -15.890 1.00 -0.97 N ATOM 0 H ARG A 51 -10.559 3.089 -8.979 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.647 2.693 -11.903 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.957 3.396 -10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.194 4.973 -10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.743 3.975 -13.344 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.368 3.441 -12.966 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.880 5.837 -12.221 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -12.313 6.300 -12.855 1.00 0.33 H new ATOM 0 HE ARG A 51 -13.394 5.106 -15.048 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -14.750 7.524 -12.800 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -15.814 8.214 -14.029 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -14.812 5.980 -16.576 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -15.849 7.346 -16.151 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.527 5.179 -12.000 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.520 6.231 -12.038 1.00 0.36 C ATOM 875 C LYS A 52 -9.205 7.519 -12.482 1.00 0.57 C ATOM 876 O LYS A 52 -10.215 7.470 -13.186 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.395 5.818 -13.003 1.00 0.00 C ATOM 878 CG LYS A 52 -6.028 6.360 -12.567 1.00 0.00 C ATOM 879 CD LYS A 52 -4.957 6.059 -13.630 1.00 0.00 C ATOM 880 CE LYS A 52 -4.809 7.253 -14.584 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.183 6.885 -15.874 1.00 -0.85 N ATOM 0 H LYS A 52 -10.098 5.130 -12.844 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.070 6.391 -11.058 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.351 4.731 -13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.626 6.182 -14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.093 7.436 -12.404 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.740 5.911 -11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.003 5.850 -13.147 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.232 5.167 -14.192 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.792 7.685 -14.773 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -4.209 8.025 -14.102 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -4.109 7.729 -16.477 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -3.233 6.498 -15.701 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.767 6.169 -16.351 1.00 -0.85 H new ATOM 895 N VAL A 53 -8.639 8.664 -12.104 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.149 9.991 -12.453 1.00 0.36 C ATOM 897 C VAL A 53 -8.060 10.772 -13.191 1.00 0.57 C ATOM 898 O VAL A 53 -6.888 10.395 -13.148 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.659 10.729 -11.192 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.999 10.137 -10.718 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.633 10.753 -10.050 1.00 0.00 C ATOM 0 H VAL A 53 -7.794 8.697 -11.534 1.00 -0.73 H new ATOM 0 HA VAL A 53 -10.005 9.896 -13.122 1.00 0.36 H new ATOM 0 HB VAL A 53 -9.816 11.768 -11.483 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.339 10.671 -9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.742 10.238 -11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.866 9.082 -10.478 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.052 11.285 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.390 9.731 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.728 11.260 -10.385 1.00 0.00 H new ATOM 911 N VAL A 54 -8.455 11.864 -13.852 1.00 -0.73 N ATOM 912 CA VAL A 54 -7.564 12.686 -14.681 1.00 0.36 C ATOM 913 C VAL A 54 -7.628 14.173 -14.302 1.00 0.57 C ATOM 914 O VAL A 54 -6.665 14.906 -14.560 1.00 -0.57 O ATOM 915 CB VAL A 54 -7.878 12.481 -16.180 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.664 11.021 -16.611 1.00 0.00 C ATOM 917 CG2 VAL A 54 -9.308 12.914 -16.557 1.00 0.00 C ATOM 0 H VAL A 54 -9.415 12.208 -13.827 1.00 -0.73 H new ATOM 0 HA VAL A 54 -6.543 12.355 -14.491 1.00 0.36 H new ATOM 0 HB VAL A 54 -7.177 13.123 -16.713 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.895 10.917 -17.671 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.626 10.739 -16.436 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.319 10.371 -16.031 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.470 12.747 -17.622 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.028 12.330 -15.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.439 13.973 -16.332 1.00 0.00 H new ATOM 927 N TRP A 55 -8.728 14.613 -13.666 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.874 15.967 -13.143 1.00 0.36 C ATOM 929 C TRP A 55 -7.765 16.210 -12.116 1.00 0.57 C ATOM 930 O TRP A 55 -6.838 16.997 -12.355 1.00 -0.57 O ATOM 931 CB TRP A 55 -10.291 16.151 -12.535 1.00 0.18 C ATOM 932 CG TRP A 55 -11.252 17.030 -13.284 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -10.921 18.142 -13.979 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -12.715 16.940 -13.375 1.00 0.00 C ATOM 935 NE1 TRP A 55 -12.047 18.709 -14.537 1.00 0.03 N ATOM 936 CE2 TRP A 55 -13.187 18.025 -14.176 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -13.699 16.073 -12.847 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -14.547 18.233 -14.448 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -15.069 16.265 -13.122 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -15.495 17.340 -13.921 1.00 -0.15 C ATOM 0 H TRP A 55 -9.546 14.025 -13.503 1.00 -0.73 H new ATOM 0 HA TRP A 55 -8.774 16.704 -13.940 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.745 15.165 -12.432 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -10.177 16.556 -11.529 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -9.918 18.530 -14.082 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -12.037 19.531 -15.141 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -13.396 15.247 -12.221 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -14.862 19.069 -15.055 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -15.798 15.580 -12.715 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -16.546 17.479 -14.129 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.830 15.445 -11.021 1.00 -0.73 N ATOM 952 CA GLY A 56 -6.901 15.464 -9.912 1.00 0.36 C ATOM 953 C GLY A 56 -7.631 15.047 -8.636 1.00 0.57 C ATOM 954 O GLY A 56 -8.858 15.187 -8.554 1.00 -0.57 O ATOM 0 H GLY A 56 -8.577 14.763 -10.888 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -6.070 14.787 -10.107 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -6.478 16.462 -9.794 1.00 0.36 H new ATOM 958 N THR A 57 -6.831 14.574 -7.670 1.00 -0.73 N ATOM 959 CA THR A 57 -7.216 14.130 -6.329 1.00 0.36 C ATOM 960 C THR A 57 -8.191 12.939 -6.353 1.00 0.57 C ATOM 961 O THR A 57 -9.157 12.893 -7.116 1.00 -0.57 O ATOM 962 CB THR A 57 -7.700 15.340 -5.504 1.00 0.28 C ATOM 963 OG1 THR A 57 -6.692 16.348 -5.515 1.00 -0.68 O ATOM 964 CG2 THR A 57 -8.005 14.981 -4.046 1.00 0.00 C ATOM 0 H THR A 57 -5.826 14.487 -7.819 1.00 -0.73 H new ATOM 0 HA THR A 57 -6.340 13.728 -5.821 1.00 0.36 H new ATOM 0 HB THR A 57 -8.624 15.690 -5.964 1.00 0.28 H new ATOM 0 HG1 THR A 57 -6.996 17.120 -4.993 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -8.341 15.871 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.787 14.222 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.104 14.593 -3.571 1.00 0.00 H new ATOM 972 N ALA A 58 -7.933 11.943 -5.501 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.671 10.692 -5.498 1.00 0.36 C ATOM 974 C ALA A 58 -8.756 10.124 -4.088 1.00 0.57 C ATOM 975 O ALA A 58 -8.197 10.679 -3.130 1.00 -0.57 O ATOM 976 CB ALA A 58 -7.985 9.703 -6.442 1.00 0.00 C ATOM 0 H ALA A 58 -7.201 11.989 -4.793 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.689 10.871 -5.845 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.534 8.761 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.967 10.115 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.964 9.526 -6.104 1.00 0.00 H new ATOM 982 N ASP A 59 -9.460 8.999 -3.988 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.620 8.276 -2.746 1.00 0.36 C ATOM 984 C ASP A 59 -8.237 7.740 -2.349 1.00 0.57 C ATOM 985 O ASP A 59 -7.762 8.116 -1.287 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.661 7.161 -2.906 1.00 0.06 C ATOM 987 CG ASP A 59 -11.995 7.583 -3.538 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.446 6.881 -4.428 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.618 8.689 -3.141 1.00 -0.65 O ATOM 0 H ASP A 59 -9.937 8.566 -4.779 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.994 8.924 -1.953 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.226 6.368 -3.514 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.864 6.735 -1.924 1.00 0.06 H new ATOM 995 N ILE A 60 -7.553 7.004 -3.239 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.231 6.387 -3.054 1.00 0.36 C ATOM 997 C ILE A 60 -5.186 7.239 -3.810 1.00 0.57 C ATOM 998 O ILE A 60 -4.777 6.937 -4.930 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.273 4.906 -3.534 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.270 4.019 -2.752 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.879 4.235 -3.546 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.696 2.778 -3.560 1.00 0.00 C ATOM 0 H ILE A 60 -7.933 6.812 -4.166 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.946 6.364 -2.002 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.634 4.978 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.814 3.702 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.153 4.605 -2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.974 3.205 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.218 4.782 -4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.462 4.245 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.396 2.184 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.176 3.094 -4.486 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.817 2.177 -3.794 1.00 0.00 H new ATOM 1014 N MET A 61 -4.780 8.375 -3.258 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.709 9.181 -3.827 1.00 0.36 C ATOM 1016 C MET A 61 -2.353 8.535 -3.506 1.00 0.57 C ATOM 1017 O MET A 61 -2.167 7.951 -2.436 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.784 10.612 -3.282 1.00 0.00 C ATOM 1019 CG MET A 61 -2.948 11.623 -4.054 1.00 0.23 C ATOM 1020 SD MET A 61 -2.996 13.291 -3.346 1.00 -0.46 S ATOM 1021 CE MET A 61 -1.891 13.057 -1.928 1.00 0.23 C ATOM 0 H MET A 61 -5.183 8.763 -2.405 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.821 9.227 -4.910 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.824 10.937 -3.290 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.459 10.609 -2.241 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.914 11.280 -4.085 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.301 11.664 -5.084 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.257 13.936 -1.812 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.484 12.915 -1.024 1.00 0.23 H new ATOM 0 HE3 MET A 61 -1.267 12.179 -2.094 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.387 8.707 -4.410 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.004 8.285 -4.226 1.00 0.36 C ATOM 1033 C ILE A 62 0.876 9.490 -4.579 1.00 0.57 C ATOM 1034 O ILE A 62 0.582 10.207 -5.539 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.303 7.031 -5.083 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.581 5.811 -4.721 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.772 6.608 -4.933 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.726 5.591 -5.712 1.00 0.00 C ATOM 0 H ILE A 62 -1.552 9.155 -5.311 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.196 7.984 -3.198 1.00 0.36 H new ATOM 0 HB ILE A 62 0.085 7.325 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.040 4.916 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.994 5.951 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.961 5.726 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.420 7.421 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.979 6.376 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.310 4.723 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.367 6.472 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.317 5.421 -6.708 1.00 0.00 H new ATOM 1050 N GLY A 63 1.953 9.723 -3.825 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.898 10.800 -4.099 1.00 0.36 C ATOM 1052 C GLY A 63 4.262 10.517 -3.478 1.00 0.57 C ATOM 1053 O GLY A 63 4.376 9.679 -2.588 1.00 -0.57 O ATOM 0 H GLY A 63 2.192 9.166 -3.005 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 3.006 10.925 -5.176 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.506 11.738 -3.707 1.00 0.36 H new ATOM 1057 N PHE A 64 5.302 11.212 -3.937 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.676 10.966 -3.527 1.00 0.36 C ATOM 1059 C PHE A 64 7.327 12.330 -3.300 1.00 0.57 C ATOM 1060 O PHE A 64 7.031 13.278 -4.035 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.449 10.120 -4.569 1.00 0.14 C ATOM 1062 CG PHE A 64 6.820 8.799 -5.007 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.611 8.805 -5.713 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 7.438 7.562 -4.742 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.970 7.616 -6.084 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.776 6.361 -5.063 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.532 6.388 -5.721 1.00 -0.15 C ATOM 0 H PHE A 64 5.208 11.970 -4.613 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.698 10.379 -2.609 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.598 10.733 -5.458 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.437 9.904 -4.162 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.161 9.750 -5.978 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 8.420 7.534 -4.293 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 4.048 7.647 -6.646 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 7.225 5.414 -4.803 1.00 -0.15 H new ATOM 0 HZ PHE A 64 5.015 5.466 -5.944 1.00 -0.15 H new ATOM 1077 N ALA A 65 8.168 12.422 -2.263 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.865 13.637 -1.832 1.00 0.36 C ATOM 1079 C ALA A 65 10.245 13.259 -1.270 1.00 0.57 C ATOM 1080 O ALA A 65 10.623 12.099 -1.356 1.00 -0.57 O ATOM 1081 CB ALA A 65 8.010 14.356 -0.784 1.00 0.00 C ATOM 0 H ALA A 65 8.390 11.617 -1.677 1.00 -0.73 H new ATOM 0 HA ALA A 65 9.017 14.312 -2.674 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.521 15.262 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.046 14.620 -1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.854 13.699 0.071 1.00 0.00 H new ATOM 1087 N ARG A 66 11.018 14.199 -0.709 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.405 13.938 -0.292 1.00 0.36 C ATOM 1089 C ARG A 66 12.789 14.705 0.985 1.00 0.57 C ATOM 1090 O ARG A 66 13.801 15.418 1.029 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.365 14.191 -1.471 1.00 0.00 C ATOM 1092 CG ARG A 66 13.271 15.613 -2.050 1.00 0.00 C ATOM 1093 CD ARG A 66 14.647 16.166 -2.449 1.00 0.33 C ATOM 1094 NE ARG A 66 14.812 17.541 -1.947 1.00 -0.84 N ATOM 1095 CZ ARG A 66 15.620 18.479 -2.455 1.00 1.20 C ATOM 1096 NH1 ARG A 66 16.506 18.174 -3.404 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 15.520 19.733 -2.019 1.00 -0.97 N ATOM 0 H ARG A 66 10.705 15.153 -0.532 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.493 12.886 -0.019 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.388 14.009 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.153 13.471 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.617 15.607 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.815 16.274 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.433 15.528 -2.046 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.751 16.153 -3.534 1.00 0.33 H new ATOM 0 HE ARG A 66 14.256 17.804 -1.133 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 16.573 17.217 -3.750 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 17.116 18.898 -3.783 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 14.832 19.971 -1.304 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 16.131 20.456 -2.400 1.00 -0.97 H new ATOM 1111 N GLY A 67 11.938 14.589 2.008 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.051 15.351 3.246 1.00 0.36 C ATOM 1113 C GLY A 67 11.190 16.610 3.159 1.00 0.57 C ATOM 1114 O GLY A 67 11.388 17.399 2.238 1.00 -0.57 O ATOM 0 H GLY A 67 11.141 13.953 1.995 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 11.733 14.740 4.090 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.092 15.623 3.423 1.00 0.36 H new ATOM 1118 N ALA A 68 10.263 16.777 4.118 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.208 17.803 4.179 1.00 0.36 C ATOM 1120 C ALA A 68 8.322 17.921 2.921 1.00 0.57 C ATOM 1121 O ALA A 68 8.792 18.217 1.824 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.817 19.159 4.557 1.00 0.00 C ATOM 0 H ALA A 68 10.229 16.156 4.926 1.00 -0.73 H new ATOM 0 HA ALA A 68 8.521 17.467 4.956 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.030 19.912 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.299 19.082 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.555 19.448 3.809 1.00 0.00 H new ATOM 1128 N HIS A 69 6.998 17.772 3.074 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.066 17.883 1.955 1.00 0.36 C ATOM 1130 C HIS A 69 4.703 18.421 2.390 1.00 0.57 C ATOM 1131 O HIS A 69 4.338 18.341 3.564 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.949 16.537 1.215 1.00 0.17 C ATOM 1133 CG HIS A 69 5.469 15.326 1.988 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.207 15.212 3.332 1.00 -0.70 N flip ATOM 1135 CD2 HIS A 69 5.270 14.077 1.442 1.00 0.20 C flip ATOM 1136 CE1 HIS A 69 4.837 13.894 3.602 1.00 0.65 C flip ATOM 1137 NE2 HIS A 69 4.907 13.249 2.435 1.00 -0.70 N flip ATOM 0 H HIS A 69 6.552 17.573 3.969 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.470 18.616 1.256 1.00 0.36 H new ATOM 0 HB2 HIS A 69 5.274 16.680 0.371 1.00 0.17 H new ATOM 0 HB3 HIS A 69 6.929 16.299 0.802 1.00 0.17 H new ATOM 0 HD1 HIS A 69 5.272 15.965 4.017 1.00 -0.70 H new ATOM 0 HD2 HIS A 69 5.385 13.811 0.402 1.00 0.20 H new ATOM 0 HE1 HIS A 69 4.552 13.481 4.558 1.00 0.65 H new ATOM 1146 N GLY A 70 3.957 18.952 1.410 1.00 -0.73 N ATOM 1147 CA GLY A 70 2.595 19.444 1.556 1.00 0.36 C ATOM 1148 C GLY A 70 1.638 18.282 1.784 1.00 0.57 C ATOM 1149 O GLY A 70 1.017 17.786 0.838 1.00 -0.57 O ATOM 0 H GLY A 70 4.309 19.051 0.458 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 2.540 20.140 2.393 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.302 19.996 0.663 1.00 0.36 H new ATOM 1153 N ASP A 71 1.591 17.825 3.037 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.846 16.658 3.468 1.00 0.36 C ATOM 1155 C ASP A 71 0.253 16.880 4.865 1.00 0.57 C ATOM 1156 O ASP A 71 -0.893 17.303 4.979 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.794 15.461 3.452 1.00 0.06 C ATOM 1158 CG ASP A 71 1.088 14.240 4.014 1.00 0.66 C ATOM 1159 OD1 ASP A 71 0.093 13.873 3.410 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 1.642 13.636 5.061 1.00 -0.65 O ATOM 0 H ASP A 71 2.091 18.279 3.801 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.010 16.473 2.794 1.00 0.36 H new ATOM 0 HB2 ASP A 71 2.128 15.263 2.433 1.00 0.06 H new ATOM 0 HB3 ASP A 71 2.684 15.682 4.042 1.00 0.06 H new ATOM 1166 N SER A 72 1.042 16.630 5.919 1.00 -0.73 N ATOM 1167 CA SER A 72 0.635 16.738 7.318 1.00 0.36 C ATOM 1168 C SER A 72 1.855 16.593 8.235 1.00 0.57 C ATOM 1169 O SER A 72 1.971 17.322 9.222 1.00 -0.57 O ATOM 1170 CB SER A 72 -0.399 15.644 7.649 1.00 0.28 C ATOM 1171 OG SER A 72 -1.190 16.021 8.759 1.00 -0.68 O ATOM 0 H SER A 72 2.013 16.337 5.812 1.00 -0.73 H new ATOM 0 HA SER A 72 0.185 17.718 7.479 1.00 0.36 H new ATOM 0 HB2 SER A 72 -1.038 15.468 6.784 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.113 14.706 7.863 1.00 0.28 H new ATOM 0 HG SER A 72 -1.841 15.314 8.952 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.798 15.705 7.882 1.00 -0.73 N ATOM 1178 CA TYR A 73 3.992 15.433 8.675 1.00 0.36 C ATOM 1179 C TYR A 73 5.238 15.661 7.816 1.00 0.57 C ATOM 1180 O TYR A 73 5.227 15.299 6.637 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.960 13.987 9.188 1.00 0.14 C ATOM 1182 CG TYR A 73 2.814 13.710 10.141 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 2.915 14.120 11.484 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.630 13.105 9.675 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 1.830 13.941 12.358 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.533 12.938 10.540 1.00 -0.15 C ATOM 1187 CZ TYR A 73 0.629 13.365 11.889 1.00 0.08 C ATOM 1188 OH TYR A 73 -0.421 13.227 12.746 1.00 -0.53 O ATOM 0 H TYR A 73 2.745 15.153 7.026 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.020 16.107 9.531 1.00 0.36 H new ATOM 0 HB2 TYR A 73 3.887 13.309 8.337 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.902 13.767 9.691 1.00 0.14 H new ATOM 0 HD1 TYR A 73 3.828 14.573 11.843 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 1.564 12.768 8.651 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 1.915 14.245 13.391 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.379 12.486 10.178 1.00 -0.15 H new ATOM 0 HH TYR A 73 -1.176 12.815 12.275 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.326 16.218 8.374 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.580 16.310 7.659 1.00 0.36 C ATOM 1200 C PRO A 74 8.199 14.914 7.529 1.00 0.57 C ATOM 1201 O PRO A 74 8.418 14.217 8.527 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.452 17.290 8.447 1.00 0.00 C ATOM 1203 CG PRO A 74 7.881 17.274 9.866 1.00 0.00 C ATOM 1204 CD PRO A 74 6.446 16.762 9.719 1.00 0.30 C ATOM 0 HA PRO A 74 7.462 16.678 6.640 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.498 16.983 8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.410 18.290 8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.465 16.624 10.518 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.900 18.270 10.309 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.231 15.997 10.465 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.730 17.569 9.874 1.00 0.30 H new ATOM 1212 N PHE A 75 8.475 14.520 6.281 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.391 13.431 5.972 1.00 0.36 C ATOM 1214 C PHE A 75 10.817 13.791 6.410 1.00 0.57 C ATOM 1215 O PHE A 75 11.141 14.936 6.726 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.366 13.101 4.463 1.00 0.14 C ATOM 1217 CG PHE A 75 8.503 11.936 4.012 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.488 10.708 4.708 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 7.834 12.035 2.781 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 7.755 9.618 4.204 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.132 10.936 2.261 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.067 9.736 2.987 1.00 -0.15 C ATOM 0 H PHE A 75 8.063 14.955 5.455 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.065 12.548 6.522 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.033 13.992 3.930 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.390 12.903 4.145 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.041 10.605 5.630 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 7.860 12.964 2.230 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.722 8.689 4.755 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 6.642 11.014 1.302 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.489 8.906 2.609 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.662 12.772 6.316 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.033 12.606 6.770 1.00 0.36 C ATOM 1234 C ASP A 76 13.991 12.601 5.562 1.00 0.57 C ATOM 1235 O ASP A 76 15.016 13.281 5.614 1.00 -0.57 O ATOM 1236 CB ASP A 76 13.083 11.216 7.471 1.00 0.06 C ATOM 1237 CG ASP A 76 12.505 10.038 6.653 1.00 0.66 C ATOM 1238 OD1 ASP A 76 11.792 10.265 5.689 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.780 8.787 7.010 1.00 -0.65 O ATOM 0 H ASP A 76 11.351 11.920 5.850 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.332 13.414 7.438 1.00 0.36 H new ATOM 0 HB2 ASP A 76 14.120 10.990 7.718 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.539 11.284 8.413 1.00 0.06 H new ATOM 1245 N GLY A 77 13.664 11.885 4.475 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.538 11.713 3.319 1.00 0.36 C ATOM 1247 C GLY A 77 15.275 10.361 3.375 1.00 0.57 C ATOM 1248 O GLY A 77 14.670 9.387 3.818 1.00 -0.57 O ATOM 0 H GLY A 77 12.769 11.404 4.380 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 13.950 11.772 2.403 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.264 12.525 3.285 1.00 0.36 H new ATOM 1252 N PRO A 78 16.540 10.271 2.902 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.272 9.023 2.652 1.00 0.36 C ATOM 1254 C PRO A 78 17.709 8.285 3.931 1.00 0.57 C ATOM 1255 O PRO A 78 18.885 8.280 4.297 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.454 9.405 1.751 1.00 0.00 C ATOM 1257 CG PRO A 78 18.742 10.851 2.152 1.00 0.00 C ATOM 1258 CD PRO A 78 17.360 11.404 2.492 1.00 0.30 C ATOM 0 HA PRO A 78 16.620 8.296 2.167 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.316 8.760 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.199 9.323 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.418 10.905 3.006 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.209 11.408 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.425 12.143 3.291 1.00 0.30 H new ATOM 0 HD3 PRO A 78 16.922 11.906 1.629 1.00 0.30 H new ATOM 1266 N GLY A 79 16.757 7.643 4.606 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.958 6.885 5.835 1.00 0.36 C ATOM 1268 C GLY A 79 15.608 6.734 6.527 1.00 0.57 C ATOM 1269 O GLY A 79 14.620 7.222 5.998 1.00 -0.57 O ATOM 0 H GLY A 79 15.785 7.638 4.297 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.383 5.906 5.613 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.664 7.399 6.487 1.00 0.36 H new ATOM 1273 N ASN A 80 15.569 6.104 7.707 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.379 5.971 8.565 1.00 0.36 C ATOM 1275 C ASN A 80 13.094 5.572 7.784 1.00 0.57 C ATOM 1276 O ASN A 80 13.200 4.817 6.822 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.274 7.229 9.463 1.00 0.06 C ATOM 1278 CG ASN A 80 13.593 6.961 10.800 1.00 0.57 C ATOM 1279 OD1 ASN A 80 12.732 6.093 10.914 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.970 7.662 11.860 1.00 -0.80 N ATOM 0 H ASN A 80 16.393 5.656 8.108 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.493 5.117 9.233 1.00 0.36 H new ATOM 0 HB2 ASN A 80 15.275 7.621 9.645 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.721 8.002 8.930 1.00 0.06 H new ATOM 0 HD21 ASN A 80 13.545 7.480 12.769 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 14.685 8.383 11.766 1.00 -0.80 H new ATOM 1287 N THR A 81 11.896 5.979 8.236 1.00 -0.73 N ATOM 1288 CA THR A 81 10.580 5.719 7.638 1.00 0.36 C ATOM 1289 C THR A 81 10.610 5.895 6.109 1.00 0.57 C ATOM 1290 O THR A 81 10.719 7.014 5.627 1.00 -0.57 O ATOM 1291 CB THR A 81 9.552 6.687 8.272 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.569 6.655 9.692 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.109 6.406 7.830 1.00 0.00 C ATOM 0 H THR A 81 11.819 6.536 9.087 1.00 -0.73 H new ATOM 0 HA THR A 81 10.297 4.685 7.837 1.00 0.36 H new ATOM 0 HB THR A 81 9.864 7.669 7.915 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.904 7.284 10.041 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.437 7.118 8.309 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.034 6.507 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.831 5.393 8.120 1.00 0.00 H new ATOM 1301 N LEU A 82 10.500 4.807 5.342 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.658 4.796 3.889 1.00 0.36 C ATOM 1303 C LEU A 82 9.408 5.295 3.135 1.00 0.57 C ATOM 1304 O LEU A 82 9.512 5.842 2.033 1.00 -0.57 O ATOM 1305 CB LEU A 82 11.025 3.369 3.434 1.00 0.00 C ATOM 1306 CG LEU A 82 12.388 2.840 3.954 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.376 2.152 5.328 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.932 1.803 2.967 1.00 0.00 C ATOM 0 H LEU A 82 10.293 3.885 5.727 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.457 5.494 3.642 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.240 2.687 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.035 3.344 2.344 1.00 0.00 H new ATOM 0 HG LEU A 82 12.997 3.739 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.385 1.827 5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.021 2.853 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.713 1.287 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.890 1.427 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.226 0.977 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.067 2.267 1.990 1.00 0.00 H new ATOM 1320 N ALA A 83 8.216 5.099 3.713 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.939 5.521 3.150 1.00 0.36 C ATOM 1322 C ALA A 83 5.905 5.563 4.279 1.00 0.57 C ATOM 1323 O ALA A 83 6.079 4.900 5.302 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.518 4.548 2.036 1.00 0.00 C ATOM 0 H ALA A 83 8.117 4.628 4.612 1.00 -0.73 H new ATOM 0 HA ALA A 83 7.020 6.514 2.707 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.563 4.866 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.275 4.543 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.417 3.544 2.449 1.00 0.00 H new ATOM 1330 N HIS A 84 4.823 6.324 4.120 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.726 6.331 5.078 1.00 0.36 C ATOM 1332 C HIS A 84 2.390 6.455 4.352 1.00 0.57 C ATOM 1333 O HIS A 84 2.324 6.964 3.232 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.933 7.431 6.142 1.00 0.17 C ATOM 1335 CG HIS A 84 4.029 8.863 5.649 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.960 9.796 6.053 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.170 9.515 4.804 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.680 10.963 5.445 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.597 10.839 4.663 1.00 -0.70 N ATOM 0 H HIS A 84 4.685 6.949 3.326 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.712 5.382 5.613 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.109 7.373 6.853 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.845 7.201 6.692 1.00 0.17 H new ATOM 0 HD1 HIS A 84 5.729 9.630 6.702 1.00 -0.70 H new ATOM 0 HD2 HIS A 84 2.306 9.078 4.326 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.248 11.873 5.569 1.00 0.65 H new ATOM 1348 N ALA A 85 1.312 6.076 5.036 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.045 6.190 4.537 1.00 0.36 C ATOM 1350 C ALA A 85 -0.945 6.673 5.671 1.00 0.57 C ATOM 1351 O ALA A 85 -0.500 6.781 6.819 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.492 4.837 3.966 1.00 0.00 C ATOM 0 H ALA A 85 1.365 5.673 5.972 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.107 6.918 3.728 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.512 4.920 3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.173 4.548 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.455 4.081 4.750 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.202 6.972 5.339 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.183 7.501 6.279 1.00 0.36 C ATOM 1360 C PHE A 86 -4.439 6.639 6.205 1.00 0.57 C ATOM 1361 O PHE A 86 -4.735 6.050 5.168 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.490 8.977 5.954 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.321 9.759 5.376 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.128 9.927 6.106 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.391 10.217 4.049 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.008 10.512 5.492 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.274 10.800 3.434 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.078 10.926 4.153 1.00 -0.15 C ATOM 0 H PHE A 86 -2.569 6.851 4.395 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.790 7.468 7.295 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.319 9.014 5.247 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -3.826 9.473 6.865 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.074 9.607 7.136 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.314 10.119 3.498 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.907 10.643 6.051 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.335 11.149 2.414 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.795 11.344 3.674 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.220 6.588 7.286 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.437 5.787 7.318 1.00 0.36 C ATOM 1380 C ALA A 87 -7.541 6.467 6.485 1.00 0.57 C ATOM 1381 O ALA A 87 -7.705 7.682 6.609 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.875 5.608 8.770 1.00 0.00 C ATOM 0 H ALA A 87 -5.028 7.094 8.150 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.248 4.806 6.882 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.785 5.010 8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.087 5.102 9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.066 6.584 9.216 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.297 5.735 5.641 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.322 6.311 4.775 1.00 0.36 C ATOM 1390 C PRO A 88 -10.558 6.793 5.533 1.00 0.57 C ATOM 1391 O PRO A 88 -10.702 6.552 6.734 1.00 -0.57 O ATOM 1392 CB PRO A 88 -9.622 5.243 3.726 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.250 3.931 4.390 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.151 4.311 5.382 1.00 0.30 C ATOM 0 HA PRO A 88 -8.965 7.226 4.302 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -10.673 5.256 3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.041 5.406 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.106 3.484 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.894 3.203 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.247 3.738 6.304 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.166 4.091 4.971 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.425 7.519 4.809 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.671 8.098 5.307 1.00 0.36 C ATOM 1404 C GLY A 89 -12.656 9.630 5.367 1.00 0.57 C ATOM 1405 O GLY A 89 -13.697 10.230 5.616 1.00 -0.57 O ATOM 0 H GLY A 89 -11.266 7.723 3.822 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.493 7.776 4.667 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -12.871 7.706 6.304 1.00 0.36 H new ATOM 1409 N THR A 90 -11.494 10.262 5.150 1.00 -0.73 N ATOM 1410 CA THR A 90 -11.236 11.658 5.508 1.00 0.36 C ATOM 1411 C THR A 90 -10.487 12.393 4.383 1.00 0.57 C ATOM 1412 O THR A 90 -9.505 13.087 4.637 1.00 -0.57 O ATOM 1413 CB THR A 90 -10.490 11.702 6.862 1.00 0.28 C ATOM 1414 OG1 THR A 90 -9.377 10.827 6.848 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -11.391 11.286 8.032 1.00 0.00 C ATOM 0 H THR A 90 -10.694 9.806 4.712 1.00 -0.73 H new ATOM 0 HA THR A 90 -12.180 12.190 5.627 1.00 0.36 H new ATOM 0 HB THR A 90 -10.171 12.735 7.000 1.00 0.28 H new ATOM 0 HG1 THR A 90 -8.917 10.870 7.712 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -10.824 11.332 8.962 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.244 11.962 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.746 10.268 7.874 1.00 0.00 H new ATOM 1423 N GLY A 91 -10.922 12.218 3.125 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.418 12.935 1.948 1.00 0.36 C ATOM 1425 C GLY A 91 -8.959 12.629 1.605 1.00 0.57 C ATOM 1426 O GLY A 91 -8.697 11.861 0.679 1.00 -0.57 O ATOM 0 H GLY A 91 -11.658 11.551 2.894 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -11.042 12.685 1.090 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.523 14.007 2.117 1.00 0.36 H new ATOM 1430 N LEU A 92 -8.020 13.216 2.357 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.612 12.826 2.335 1.00 0.36 C ATOM 1432 C LEU A 92 -6.433 11.440 2.977 1.00 0.57 C ATOM 1433 O LEU A 92 -5.441 10.762 2.736 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.749 13.856 3.082 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.239 13.696 2.761 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.761 14.772 1.779 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.413 13.751 4.049 1.00 0.00 C ATOM 0 H LEU A 92 -8.221 13.980 3.002 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.288 12.786 1.295 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -6.072 14.862 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.904 13.748 4.155 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.098 12.723 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.699 14.632 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.323 14.691 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.920 15.758 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.356 13.637 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.572 14.710 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.722 12.945 4.714 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.388 11.002 3.808 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.412 9.635 4.308 1.00 0.36 C ATOM 1451 C GLY A 93 -7.196 8.630 3.174 1.00 0.57 C ATOM 1452 O GLY A 93 -7.636 8.862 2.049 1.00 -0.57 O ATOM 0 H GLY A 93 -8.155 11.584 4.145 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.637 9.507 5.064 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.367 9.439 4.795 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.518 7.525 3.485 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.167 6.466 2.555 1.00 0.36 C ATOM 1458 C GLY A 94 -4.834 6.754 1.882 1.00 0.57 C ATOM 1459 O GLY A 94 -4.098 5.818 1.575 1.00 -0.57 O ATOM 0 H GLY A 94 -6.187 7.341 4.432 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.114 5.515 3.084 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -6.946 6.367 1.799 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.520 8.024 1.618 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.448 8.374 0.693 1.00 0.36 C ATOM 1465 C ASP A 95 -2.106 7.894 1.228 1.00 0.57 C ATOM 1466 O ASP A 95 -1.918 7.755 2.440 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.485 9.893 0.410 1.00 0.06 C ATOM 1468 CG ASP A 95 -4.815 10.265 -0.256 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.390 9.397 -0.892 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.358 11.478 -0.194 1.00 -0.65 O ATOM 0 H ASP A 95 -4.995 8.825 2.034 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.594 7.866 -0.260 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.366 10.449 1.340 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.653 10.172 -0.237 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.180 7.627 0.305 1.00 -0.73 N ATOM 1477 CA ALA A 96 0.125 7.077 0.622 1.00 0.36 C ATOM 1478 C ALA A 96 1.207 7.954 0.013 1.00 0.57 C ATOM 1479 O ALA A 96 1.054 8.515 -1.077 1.00 -0.57 O ATOM 1480 CB ALA A 96 0.224 5.630 0.131 1.00 0.00 C ATOM 0 H ALA A 96 -1.323 7.791 -0.692 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.266 7.064 1.703 1.00 0.36 H new ATOM 0 HB1 ALA A 96 1.208 5.229 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.544 5.028 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.078 5.601 -0.949 1.00 0.00 H new ATOM 1486 N HIS A 97 2.331 8.047 0.718 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.460 8.864 0.335 1.00 0.36 C ATOM 1488 C HIS A 97 4.756 8.114 0.587 1.00 0.57 C ATOM 1489 O HIS A 97 4.837 7.294 1.495 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.487 10.176 1.120 1.00 0.17 C ATOM 1491 CG HIS A 97 2.501 11.243 0.721 1.00 0.18 C ATOM 1492 ND1 HIS A 97 2.079 12.265 1.549 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.935 11.422 -0.510 1.00 0.20 C ATOM 1494 CE1 HIS A 97 1.236 13.029 0.825 1.00 0.65 C ATOM 1495 NE2 HIS A 97 1.149 12.549 -0.427 1.00 -0.70 N ATOM 0 H HIS A 97 2.478 7.541 1.591 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.359 9.090 -0.726 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.323 9.942 2.172 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.489 10.596 1.039 1.00 0.17 H new ATOM 0 HD2 HIS A 97 2.077 10.799 -1.381 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.710 13.896 1.196 1.00 0.65 H new ATOM 0 HE2 HIS A 97 0.596 12.950 -1.185 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.785 8.452 -0.186 1.00 -0.73 N ATOM 1505 CA PHE A 98 7.035 7.709 -0.272 1.00 0.36 C ATOM 1506 C PHE A 98 8.203 8.703 -0.349 1.00 0.57 C ATOM 1507 O PHE A 98 8.020 9.833 -0.812 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.979 6.872 -1.559 1.00 0.14 C ATOM 1509 CG PHE A 98 5.910 5.789 -1.646 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.561 6.128 -1.893 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 6.266 4.432 -1.526 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.573 5.132 -1.927 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 5.282 3.431 -1.619 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.934 3.783 -1.808 1.00 -0.15 C ATOM 0 H PHE A 98 5.769 9.276 -0.787 1.00 -0.73 H new ATOM 0 HA PHE A 98 7.176 7.067 0.597 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.837 7.553 -2.398 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.951 6.397 -1.695 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.288 7.160 -2.057 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 7.298 4.159 -1.362 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.535 5.405 -2.045 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.562 2.391 -1.545 1.00 -0.15 H new ATOM 0 HZ PHE A 98 3.177 3.014 -1.861 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.406 8.281 0.055 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.615 9.085 -0.134 1.00 0.36 C ATOM 1526 C ASP A 99 11.227 8.804 -1.510 1.00 0.57 C ATOM 1527 O ASP A 99 11.910 7.801 -1.687 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.653 8.815 0.958 1.00 0.06 C ATOM 1529 CG ASP A 99 11.358 9.594 2.231 1.00 0.66 C ATOM 1530 OD1 ASP A 99 11.141 8.921 3.225 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.428 10.921 2.180 1.00 -0.65 O ATOM 0 H ASP A 99 9.567 7.385 0.516 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.324 10.134 -0.070 1.00 0.36 H new ATOM 0 HB2 ASP A 99 11.674 7.749 1.182 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.644 9.083 0.591 1.00 0.06 H new ATOM 1537 N GLU A 100 11.035 9.699 -2.481 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.685 9.690 -3.797 1.00 0.36 C ATOM 1539 C GLU A 100 13.218 9.631 -3.675 1.00 0.57 C ATOM 1540 O GLU A 100 13.893 9.062 -4.544 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.255 10.964 -4.563 1.00 0.00 C ATOM 1542 CG GLU A 100 11.685 10.959 -6.041 1.00 0.06 C ATOM 1543 CD GLU A 100 11.128 12.139 -6.864 1.00 0.66 C ATOM 1544 OE1 GLU A 100 11.052 13.248 -6.361 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 10.752 11.888 -8.115 1.00 -0.65 O ATOM 0 H GLU A 100 10.395 10.485 -2.369 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.374 8.797 -4.340 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.171 11.065 -4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.682 11.838 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.774 10.977 -6.091 1.00 0.06 H new ATOM 0 HG3 GLU A 100 11.360 10.025 -6.499 1.00 0.06 H new ATOM 1553 N ASP A 101 13.760 10.211 -2.592 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.200 10.282 -2.355 1.00 0.36 C ATOM 1555 C ASP A 101 15.810 8.891 -2.189 1.00 0.57 C ATOM 1556 O ASP A 101 16.941 8.652 -2.618 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.516 11.114 -1.102 1.00 0.06 C ATOM 1558 CG ASP A 101 16.858 11.836 -1.284 1.00 0.66 C ATOM 1559 OD1 ASP A 101 16.844 12.939 -1.805 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.993 11.241 -0.928 1.00 -0.65 O ATOM 0 H ASP A 101 13.203 10.645 -1.856 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.638 10.762 -3.230 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.722 11.840 -0.927 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.556 10.468 -0.225 1.00 0.06 H new ATOM 1566 N GLU A 102 15.045 7.984 -1.570 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.434 6.602 -1.374 1.00 0.36 C ATOM 1568 C GLU A 102 15.336 5.861 -2.709 1.00 0.57 C ATOM 1569 O GLU A 102 14.521 6.201 -3.570 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.537 5.952 -0.311 1.00 0.00 C ATOM 1571 CG GLU A 102 14.717 6.604 1.073 1.00 0.06 C ATOM 1572 CD GLU A 102 13.815 6.001 2.150 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.721 6.598 3.210 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 13.206 4.852 1.869 1.00 -0.65 O ATOM 0 H GLU A 102 14.125 8.204 -1.189 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.464 6.550 -1.020 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.494 6.034 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.767 4.889 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.757 6.502 1.382 1.00 0.06 H new ATOM 0 HG3 GLU A 102 14.511 7.671 0.993 1.00 0.06 H new ATOM 1582 N ARG A 103 16.169 4.831 -2.896 1.00 -0.73 N ATOM 1583 CA ARG A 103 16.084 4.012 -4.101 1.00 0.36 C ATOM 1584 C ARG A 103 14.850 3.123 -4.061 1.00 0.57 C ATOM 1585 O ARG A 103 14.511 2.553 -3.023 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.348 3.163 -4.319 1.00 0.00 C ATOM 1587 CG ARG A 103 18.350 3.876 -5.243 1.00 0.00 C ATOM 1588 CD ARG A 103 19.583 4.396 -4.510 1.00 0.33 C ATOM 1589 NE ARG A 103 19.936 5.749 -4.969 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.078 6.381 -4.692 1.00 1.20 C ATOM 1591 NH1 ARG A 103 22.068 5.743 -4.060 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 21.219 7.647 -5.075 1.00 -0.97 N ATOM 0 H ARG A 103 16.897 4.551 -2.238 1.00 -0.73 H new ATOM 0 HA ARG A 103 16.002 4.696 -4.946 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.820 2.957 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.072 2.201 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 103 18.665 3.187 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.850 4.710 -5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.394 4.410 -3.437 1.00 0.33 H new ATOM 0 HD3 ARG A 103 20.422 3.721 -4.677 1.00 0.33 H new ATOM 0 HE ARG A 103 19.254 6.243 -5.544 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 21.953 4.767 -3.786 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 22.938 6.232 -3.851 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 20.462 8.117 -5.571 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.084 8.148 -4.873 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.263 2.928 -5.241 1.00 -0.73 N ATOM 1607 CA TRP A 104 13.096 2.088 -5.453 1.00 0.36 C ATOM 1608 C TRP A 104 13.397 1.214 -6.661 1.00 0.57 C ATOM 1609 O TRP A 104 13.783 1.739 -7.700 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.873 2.982 -5.702 1.00 0.18 C ATOM 1611 CG TRP A 104 11.513 3.860 -4.546 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.794 5.178 -4.439 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.941 3.476 -3.256 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.406 5.633 -3.201 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.886 4.631 -2.423 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.530 2.254 -2.674 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 10.437 4.592 -1.096 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 10.071 2.206 -1.344 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 10.016 3.370 -0.556 1.00 -0.15 C ATOM 0 H TRP A 104 14.600 3.365 -6.098 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.878 1.462 -4.587 1.00 0.36 H new ATOM 0 HB2 TRP A 104 12.065 3.608 -6.574 1.00 0.18 H new ATOM 0 HB3 TRP A 104 11.018 2.351 -5.945 1.00 0.18 H new ATOM 0 HD1 TRP A 104 12.253 5.781 -5.208 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.495 6.603 -2.897 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.569 1.346 -3.258 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 10.416 5.491 -0.498 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.757 1.262 -0.923 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.651 3.322 0.459 1.00 -0.15 H new ATOM 1630 N THR A 105 13.228 -0.104 -6.540 1.00 -0.73 N ATOM 1631 CA THR A 105 13.522 -1.035 -7.628 1.00 0.36 C ATOM 1632 C THR A 105 12.279 -1.871 -7.936 1.00 0.57 C ATOM 1633 O THR A 105 11.509 -2.192 -7.029 1.00 -0.57 O ATOM 1634 CB THR A 105 14.785 -1.859 -7.305 1.00 0.28 C ATOM 1635 OG1 THR A 105 15.149 -2.641 -8.422 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.657 -2.793 -6.098 1.00 0.00 C ATOM 0 H THR A 105 12.886 -0.553 -5.690 1.00 -0.73 H new ATOM 0 HA THR A 105 13.759 -0.494 -8.544 1.00 0.36 H new ATOM 0 HB THR A 105 15.544 -1.118 -7.054 1.00 0.28 H new ATOM 0 HG1 THR A 105 16.090 -2.903 -8.345 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.595 -3.329 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.430 -2.207 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.854 -3.509 -6.275 1.00 0.00 H new ATOM 1644 N ASP A 106 12.073 -2.198 -9.217 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.992 -3.065 -9.682 1.00 0.36 C ATOM 1646 C ASP A 106 11.173 -4.503 -9.174 1.00 0.57 C ATOM 1647 O ASP A 106 10.195 -5.188 -8.862 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.925 -3.021 -11.223 1.00 0.06 C ATOM 1649 CG ASP A 106 12.249 -3.385 -11.931 1.00 0.66 C ATOM 1650 OD1 ASP A 106 12.312 -4.450 -12.523 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 13.242 -2.505 -11.839 1.00 -0.65 O ATOM 0 H ASP A 106 12.668 -1.858 -9.973 1.00 -0.73 H new ATOM 0 HA ASP A 106 10.048 -2.700 -9.277 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.147 -3.706 -11.560 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.625 -2.020 -11.533 1.00 0.06 H new ATOM 1657 N GLY A 107 12.429 -4.948 -9.044 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.752 -6.281 -8.570 1.00 0.36 C ATOM 1659 C GLY A 107 14.259 -6.524 -8.614 1.00 0.57 C ATOM 1660 O GLY A 107 14.803 -6.889 -9.662 1.00 -0.57 O ATOM 0 H GLY A 107 13.248 -4.383 -9.269 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 12.389 -6.407 -7.550 1.00 0.36 H new ATOM 0 HA3 GLY A 107 12.242 -7.023 -9.184 1.00 0.36 H new ATOM 1664 N SER A 108 14.940 -6.307 -7.481 1.00 -0.73 N ATOM 1665 CA SER A 108 16.348 -6.649 -7.311 1.00 0.36 C ATOM 1666 C SER A 108 16.677 -6.717 -5.807 1.00 0.57 C ATOM 1667 O SER A 108 16.236 -5.861 -5.036 1.00 -0.57 O ATOM 1668 CB SER A 108 17.213 -5.605 -8.042 1.00 0.28 C ATOM 1669 OG SER A 108 18.262 -6.220 -8.774 1.00 -0.68 O ATOM 0 H SER A 108 14.520 -5.885 -6.653 1.00 -0.73 H new ATOM 0 HA SER A 108 16.562 -7.626 -7.744 1.00 0.36 H new ATOM 0 HB2 SER A 108 16.588 -5.023 -8.719 1.00 0.28 H new ATOM 0 HB3 SER A 108 17.634 -4.908 -7.317 1.00 0.28 H new ATOM 0 HG SER A 108 18.792 -5.532 -9.228 1.00 -0.68 H new ATOM 1675 N SER A 109 17.463 -7.726 -5.407 1.00 -0.73 N ATOM 1676 CA SER A 109 17.854 -8.061 -4.030 1.00 0.36 C ATOM 1677 C SER A 109 18.942 -7.090 -3.517 1.00 0.57 C ATOM 1678 O SER A 109 20.036 -7.511 -3.120 1.00 -0.57 O ATOM 1679 CB SER A 109 18.293 -9.546 -4.017 1.00 0.28 C ATOM 1680 OG SER A 109 18.465 -10.123 -2.725 1.00 -0.68 O ATOM 0 H SER A 109 17.870 -8.373 -6.082 1.00 -0.73 H new ATOM 0 HA SER A 109 17.019 -7.942 -3.340 1.00 0.36 H new ATOM 0 HB2 SER A 109 17.552 -10.131 -4.561 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.232 -9.634 -4.563 1.00 0.28 H new ATOM 0 HG SER A 109 18.740 -11.059 -2.819 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.666 -5.777 -3.583 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.639 -4.727 -3.255 1.00 0.36 C ATOM 1688 C LEU A 110 18.960 -3.402 -2.895 1.00 0.57 C ATOM 1689 O LEU A 110 19.337 -2.756 -1.916 1.00 -0.57 O ATOM 1690 CB LEU A 110 20.581 -4.541 -4.464 1.00 0.00 C ATOM 1691 CG LEU A 110 22.007 -4.105 -4.074 1.00 0.00 C ATOM 1692 CD1 LEU A 110 22.983 -4.536 -5.177 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.140 -2.593 -3.849 1.00 0.00 C ATOM 0 H LEU A 110 17.756 -5.414 -3.867 1.00 -0.73 H new ATOM 0 HA LEU A 110 20.204 -5.035 -2.375 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.635 -5.478 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.154 -3.797 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 110 22.240 -4.590 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 110 23.994 -4.231 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 110 22.949 -5.620 -5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 110 22.700 -4.064 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 110 23.168 -2.355 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 110 21.874 -2.064 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.472 -2.285 -3.045 1.00 0.00 H new ATOM 1705 N GLY A 111 17.948 -3.006 -3.670 1.00 -0.73 N ATOM 1706 CA GLY A 111 17.153 -1.822 -3.387 1.00 0.36 C ATOM 1707 C GLY A 111 15.896 -2.195 -2.605 1.00 0.57 C ATOM 1708 O GLY A 111 15.684 -3.356 -2.225 1.00 -0.57 O ATOM 0 H GLY A 111 17.661 -3.503 -4.513 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.745 -1.107 -2.815 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.876 -1.332 -4.320 1.00 0.36 H new ATOM 1712 N ILE A 112 15.066 -1.176 -2.371 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.774 -1.326 -1.725 1.00 0.36 C ATOM 1714 C ILE A 112 12.785 -1.651 -2.844 1.00 0.57 C ATOM 1715 O ILE A 112 12.636 -0.872 -3.794 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.410 -0.044 -0.943 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.577 0.484 -0.069 1.00 0.00 C ATOM 1718 CG2 ILE A 112 12.155 -0.293 -0.087 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.103 -0.493 0.998 1.00 0.00 C ATOM 0 H ILE A 112 15.282 -0.214 -2.631 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.766 -2.124 -0.982 1.00 0.36 H new ATOM 0 HB ILE A 112 13.203 0.735 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 112 15.404 0.757 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.250 1.397 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.903 0.614 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.322 -0.569 -0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.350 -1.101 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.917 -0.024 1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.297 -0.749 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.468 -1.399 0.514 1.00 0.00 H new ATOM 1731 N ASN A 113 12.164 -2.833 -2.769 1.00 -0.73 N ATOM 1732 CA ASN A 113 11.198 -3.275 -3.765 1.00 0.36 C ATOM 1733 C ASN A 113 10.004 -2.318 -3.756 1.00 0.57 C ATOM 1734 O ASN A 113 9.237 -2.281 -2.787 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.782 -4.735 -3.517 1.00 0.06 C ATOM 1736 CG ASN A 113 9.751 -5.248 -4.532 1.00 0.57 C ATOM 1737 OD1 ASN A 113 9.227 -4.516 -5.365 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.419 -6.528 -4.489 1.00 -0.80 N ATOM 0 H ASN A 113 12.320 -3.504 -2.017 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.649 -3.251 -4.757 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.667 -5.370 -3.555 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.369 -4.823 -2.512 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.732 -6.899 -5.145 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.850 -7.144 -3.799 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.844 -1.575 -4.858 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.746 -0.647 -5.066 1.00 0.36 C ATOM 1747 C PHE A 114 7.403 -1.344 -4.873 1.00 0.57 C ATOM 1748 O PHE A 114 6.509 -0.764 -4.267 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.823 -0.056 -6.484 1.00 0.14 C ATOM 1750 CG PHE A 114 7.639 0.837 -6.814 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 7.700 2.212 -6.529 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 6.442 0.281 -7.313 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 6.563 3.012 -6.706 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 5.294 1.079 -7.459 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.351 2.444 -7.128 1.00 -0.15 C ATOM 0 H PHE A 114 10.494 -1.609 -5.643 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.830 0.154 -4.332 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.744 0.518 -6.584 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.873 -0.868 -7.209 1.00 0.14 H new ATOM 0 HD1 PHE A 114 8.621 2.651 -6.174 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 6.408 -0.764 -7.584 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 6.620 4.074 -6.516 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 4.374 0.646 -7.823 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.463 3.055 -7.198 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.241 -2.565 -5.386 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.950 -3.238 -5.425 1.00 0.36 C ATOM 1767 C LEU A 115 5.570 -3.799 -4.055 1.00 0.57 C ATOM 1768 O LEU A 115 4.383 -3.821 -3.711 1.00 -0.57 O ATOM 1769 CB LEU A 115 6.010 -4.374 -6.456 1.00 0.00 C ATOM 1770 CG LEU A 115 4.625 -4.714 -7.039 1.00 0.00 C ATOM 1771 CD1 LEU A 115 4.193 -3.624 -8.009 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.672 -6.052 -7.787 1.00 0.00 C ATOM 0 H LEU A 115 8.004 -3.112 -5.785 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.188 -2.512 -5.708 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.682 -4.090 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.432 -5.263 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 115 3.914 -4.785 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.213 -3.869 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.139 -2.670 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.917 -3.551 -8.820 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.686 -6.277 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.393 -5.988 -8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.971 -6.843 -7.099 1.00 0.00 H new ATOM 1784 N TYR A 116 6.571 -4.248 -3.288 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.402 -4.690 -1.909 1.00 0.36 C ATOM 1786 C TYR A 116 5.961 -3.494 -1.065 1.00 0.57 C ATOM 1787 O TYR A 116 4.948 -3.574 -0.369 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.728 -5.290 -1.412 1.00 0.14 C ATOM 1789 CG TYR A 116 7.755 -5.838 0.005 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 7.010 -6.982 0.341 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 8.608 -5.265 0.965 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 7.122 -7.546 1.627 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 8.682 -5.785 2.272 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.939 -6.942 2.603 1.00 0.08 C ATOM 1795 OH TYR A 116 8.025 -7.506 3.840 1.00 -0.53 O ATOM 0 H TYR A 116 7.534 -4.313 -3.618 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.636 -5.462 -1.831 1.00 0.36 H new ATOM 0 HB2 TYR A 116 8.010 -6.095 -2.091 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.497 -4.522 -1.492 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.351 -7.429 -0.388 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 9.215 -4.413 0.696 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.578 -8.448 1.866 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 9.301 -5.304 3.015 1.00 -0.15 H new ATOM 0 HH TYR A 116 8.628 -6.974 4.401 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.662 -2.358 -1.202 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.285 -1.115 -0.546 1.00 0.36 C ATOM 1807 C ALA A 117 4.889 -0.672 -0.995 1.00 0.57 C ATOM 1808 O ALA A 117 4.029 -0.414 -0.162 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.327 -0.037 -0.855 1.00 0.00 C ATOM 0 H ALA A 117 7.504 -2.284 -1.772 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.253 -1.274 0.532 1.00 0.36 H new ATOM 0 HB1 ALA A 117 7.044 0.894 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.302 -0.358 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.377 0.122 -1.932 1.00 0.00 H new ATOM 1815 N ALA A 118 4.631 -0.623 -2.304 1.00 -0.73 N ATOM 1816 CA ALA A 118 3.365 -0.149 -2.837 1.00 0.36 C ATOM 1817 C ALA A 118 2.209 -1.017 -2.350 1.00 0.57 C ATOM 1818 O ALA A 118 1.248 -0.469 -1.830 1.00 -0.57 O ATOM 1819 CB ALA A 118 3.416 -0.092 -4.365 1.00 0.00 C ATOM 0 H ALA A 118 5.298 -0.912 -3.019 1.00 -0.73 H new ATOM 0 HA ALA A 118 3.192 0.862 -2.468 1.00 0.36 H new ATOM 0 HB1 ALA A 118 2.460 0.265 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.209 0.588 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.616 -1.088 -4.760 1.00 0.00 H new ATOM 1825 N THR A 119 2.304 -2.348 -2.453 1.00 -0.73 N ATOM 1826 CA THR A 119 1.255 -3.259 -1.993 1.00 0.36 C ATOM 1827 C THR A 119 1.033 -3.122 -0.476 1.00 0.57 C ATOM 1828 O THR A 119 -0.117 -3.175 -0.033 1.00 -0.57 O ATOM 1829 CB THR A 119 1.606 -4.708 -2.382 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.860 -4.813 -3.778 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.517 -5.719 -2.035 1.00 0.00 C ATOM 0 H THR A 119 3.111 -2.822 -2.858 1.00 -0.73 H new ATOM 0 HA THR A 119 0.319 -2.991 -2.483 1.00 0.36 H new ATOM 0 HB THR A 119 2.495 -4.946 -1.798 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.770 -4.502 -3.969 1.00 -0.68 H new ATOM 0 HG21 THR A 119 0.836 -6.716 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.339 -5.707 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.403 -5.457 -2.558 1.00 0.00 H new ATOM 1839 N HIS A 120 2.105 -2.916 0.307 1.00 -0.73 N ATOM 1840 CA HIS A 120 2.019 -2.620 1.735 1.00 0.36 C ATOM 1841 C HIS A 120 1.210 -1.334 1.952 1.00 0.57 C ATOM 1842 O HIS A 120 0.239 -1.324 2.705 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.455 -2.569 2.309 1.00 0.17 C ATOM 1844 CG HIS A 120 3.586 -2.226 3.771 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.303 -2.941 4.715 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 3.051 -1.137 4.404 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.141 -2.320 5.901 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.359 -1.241 5.737 1.00 -0.70 N ATOM 0 H HIS A 120 3.062 -2.952 -0.043 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.483 -3.399 2.277 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.923 -3.540 2.144 1.00 0.17 H new ATOM 0 HB3 HIS A 120 4.025 -1.839 1.735 1.00 0.17 H new ATOM 0 HD1 HIS A 120 4.853 -3.783 4.545 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.489 -0.341 3.939 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.573 -2.641 6.837 1.00 0.65 H new ATOM 1857 N GLU A 121 1.598 -0.244 1.291 1.00 -0.73 N ATOM 1858 CA GLU A 121 1.017 1.080 1.502 1.00 0.36 C ATOM 1859 C GLU A 121 -0.431 1.156 1.002 1.00 0.57 C ATOM 1860 O GLU A 121 -1.315 1.654 1.700 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.905 2.104 0.783 1.00 0.00 C ATOM 1862 CG GLU A 121 3.297 2.240 1.425 1.00 0.06 C ATOM 1863 CD GLU A 121 3.212 2.849 2.814 1.00 0.66 C ATOM 1864 OE1 GLU A 121 3.025 2.086 3.747 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.332 4.170 2.909 1.00 -0.65 O ATOM 0 H GLU A 121 2.334 -0.257 0.585 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.980 1.295 2.570 1.00 0.36 H new ATOM 0 HB2 GLU A 121 2.018 1.811 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.410 3.075 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.769 1.259 1.485 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.932 2.861 0.793 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.687 0.608 -0.189 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.016 0.513 -0.784 1.00 0.36 C ATOM 1875 C LEU A 122 -2.945 -0.343 0.072 1.00 0.57 C ATOM 1876 O LEU A 122 -4.147 -0.088 0.084 1.00 -0.57 O ATOM 1877 CB LEU A 122 -1.927 -0.069 -2.203 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.740 0.970 -3.328 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -0.695 2.069 -3.082 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -1.371 0.218 -4.610 1.00 0.00 C ATOM 0 H LEU A 122 0.044 0.209 -0.778 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.430 1.520 -0.836 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.096 -0.773 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -2.835 -0.638 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.689 1.503 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.658 2.735 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.969 2.639 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.284 1.613 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.233 0.931 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.446 -0.337 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.171 -0.476 -4.868 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.409 -1.317 0.817 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.192 -2.060 1.784 1.00 0.36 C ATOM 1894 C GLY A 123 -3.801 -1.145 2.833 1.00 0.57 C ATOM 1895 O GLY A 123 -5.008 -1.210 3.085 1.00 -0.57 O ATOM 0 H GLY A 123 -1.431 -1.602 0.761 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.985 -2.604 1.270 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.560 -2.803 2.271 1.00 0.36 H new ATOM 1899 N HIS A 124 -2.997 -0.228 3.385 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.521 0.771 4.308 1.00 0.36 C ATOM 1901 C HIS A 124 -4.510 1.697 3.615 1.00 0.57 C ATOM 1902 O HIS A 124 -5.557 2.008 4.179 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.392 1.563 4.972 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.460 0.680 5.753 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.825 -0.095 6.823 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.132 0.460 5.521 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.737 -0.769 7.230 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.327 -0.460 6.472 1.00 -0.70 N ATOM 0 H HIS A 124 -1.995 -0.161 3.208 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.058 0.242 5.095 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.828 2.098 4.208 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -2.820 2.314 5.636 1.00 0.17 H new ATOM 0 HD1 HIS A 124 -2.756 -0.150 7.236 1.00 -0.70 H new ATOM 0 HD2 HIS A 124 0.460 0.916 4.741 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.720 -1.465 8.055 1.00 0.65 H new ATOM 1917 N SER A 125 -4.223 2.055 2.360 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.129 2.835 1.540 1.00 0.36 C ATOM 1919 C SER A 125 -6.500 2.169 1.375 1.00 0.57 C ATOM 1920 O SER A 125 -7.519 2.854 1.359 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.471 3.108 0.185 1.00 0.28 C ATOM 1922 OG SER A 125 -4.853 4.377 -0.271 1.00 -0.68 O ATOM 0 H SER A 125 -3.352 1.807 1.891 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.320 3.780 2.048 1.00 0.36 H new ATOM 0 HB2 SER A 125 -3.386 3.054 0.278 1.00 0.28 H new ATOM 0 HB3 SER A 125 -4.768 2.346 -0.536 1.00 0.28 H new ATOM 0 HG SER A 125 -4.266 5.056 0.123 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.558 0.836 1.316 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.824 0.108 1.276 1.00 0.36 C ATOM 1930 C LEU A 126 -8.617 0.217 2.588 1.00 0.57 C ATOM 1931 O LEU A 126 -9.836 0.016 2.588 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.574 -1.374 0.922 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.307 -1.852 -0.344 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.821 -1.615 -0.294 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.714 -1.203 -1.603 1.00 0.00 C ATOM 0 H LEU A 126 -5.733 0.236 1.295 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.434 0.572 0.501 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.503 -1.529 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.883 -1.994 1.763 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.155 -2.931 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.276 -1.975 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.246 -2.153 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.019 -0.549 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.251 -1.558 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.809 -0.119 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.661 -1.470 -1.688 1.00 0.00 H new ATOM 1947 N GLY A 127 -7.937 0.511 3.702 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.514 0.562 5.034 1.00 0.36 C ATOM 1949 C GLY A 127 -7.663 -0.135 6.092 1.00 0.57 C ATOM 1950 O GLY A 127 -7.952 0.022 7.277 1.00 -0.57 O ATOM 0 H GLY A 127 -6.940 0.725 3.692 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.655 1.604 5.321 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.502 0.101 5.012 1.00 0.36 H new ATOM 1954 N MET A 128 -6.667 -0.936 5.694 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.927 -1.781 6.624 1.00 0.36 C ATOM 1956 C MET A 128 -5.134 -0.929 7.624 1.00 0.57 C ATOM 1957 O MET A 128 -4.576 0.106 7.269 1.00 -0.57 O ATOM 1958 CB MET A 128 -5.006 -2.720 5.826 1.00 0.00 C ATOM 1959 CG MET A 128 -4.764 -4.055 6.533 1.00 0.23 C ATOM 1960 SD MET A 128 -6.250 -5.072 6.804 1.00 -0.46 S ATOM 1961 CE MET A 128 -6.817 -5.320 5.093 1.00 0.23 C ATOM 0 H MET A 128 -6.357 -1.013 4.725 1.00 -0.73 H new ATOM 0 HA MET A 128 -6.626 -2.384 7.204 1.00 0.36 H new ATOM 0 HB2 MET A 128 -5.446 -2.907 4.847 1.00 0.00 H new ATOM 0 HB3 MET A 128 -4.050 -2.225 5.656 1.00 0.00 H new ATOM 0 HG2 MET A 128 -4.050 -4.633 5.947 1.00 0.23 H new ATOM 0 HG3 MET A 128 -4.298 -3.857 7.498 1.00 0.23 H new ATOM 0 HE1 MET A 128 -7.722 -5.927 5.094 1.00 0.23 H new ATOM 0 HE2 MET A 128 -7.029 -4.353 4.636 1.00 0.23 H new ATOM 0 HE3 MET A 128 -6.040 -5.829 4.522 1.00 0.23 H new ATOM 1971 N GLY A 129 -5.006 -1.370 8.875 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.292 -0.603 9.892 1.00 0.36 C ATOM 1973 C GLY A 129 -2.856 -1.084 10.068 1.00 0.57 C ATOM 1974 O GLY A 129 -1.982 -0.232 10.238 1.00 -0.57 O ATOM 0 H GLY A 129 -5.388 -2.255 9.208 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.290 0.451 9.615 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.820 -0.682 10.842 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.661 -2.413 10.007 1.00 -0.73 N ATOM 1979 CA HIS A 130 -1.438 -3.215 10.164 1.00 0.36 C ATOM 1980 C HIS A 130 -1.850 -4.640 10.584 1.00 0.57 C ATOM 1981 O HIS A 130 -3.042 -4.955 10.679 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.406 -2.580 11.128 1.00 0.17 C ATOM 1983 CG HIS A 130 0.674 -1.772 10.453 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.936 -0.436 10.631 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.617 -2.249 9.581 1.00 0.20 C ATOM 1986 CE1 HIS A 130 2.003 -0.113 9.885 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.452 -1.190 9.213 1.00 -0.70 N ATOM 0 H HIS A 130 -3.457 -3.024 9.824 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.914 -3.253 9.209 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -0.935 -1.938 11.832 1.00 0.17 H new ATOM 0 HB3 HIS A 130 0.063 -3.373 11.710 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.701 -3.269 9.237 1.00 0.20 H new ATOM 0 HE1 HIS A 130 2.441 0.873 9.831 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.241 -1.226 8.567 1.00 -0.70 H new ATOM 1996 N SER A 131 -0.853 -5.490 10.845 1.00 -0.73 N ATOM 1997 CA SER A 131 -0.990 -6.881 11.254 1.00 0.36 C ATOM 1998 C SER A 131 0.157 -7.201 12.225 1.00 0.57 C ATOM 1999 O SER A 131 0.998 -6.341 12.494 1.00 -0.57 O ATOM 2000 CB SER A 131 -0.925 -7.796 10.019 1.00 0.28 C ATOM 2001 OG SER A 131 -1.830 -7.388 9.010 1.00 -0.68 O ATOM 0 H SER A 131 0.124 -5.205 10.771 1.00 -0.73 H new ATOM 0 HA SER A 131 -1.949 -7.046 11.745 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.089 -7.794 9.619 1.00 0.28 H new ATOM 0 HB3 SER A 131 -1.149 -8.821 10.315 1.00 0.28 H new ATOM 0 HG SER A 131 -1.875 -8.076 8.314 1.00 -0.68 H new ATOM 2007 N SER A 132 0.215 -8.439 12.726 1.00 -0.73 N ATOM 2008 CA SER A 132 1.255 -8.896 13.639 1.00 0.36 C ATOM 2009 C SER A 132 1.589 -10.339 13.243 1.00 0.57 C ATOM 2010 O SER A 132 0.871 -11.265 13.622 1.00 -0.57 O ATOM 2011 CB SER A 132 0.766 -8.739 15.093 1.00 0.28 C ATOM 2012 OG SER A 132 1.821 -8.340 15.946 1.00 -0.68 O ATOM 0 H SER A 132 -0.472 -9.159 12.502 1.00 -0.73 H new ATOM 0 HA SER A 132 2.169 -8.305 13.574 1.00 0.36 H new ATOM 0 HB2 SER A 132 -0.036 -8.002 15.132 1.00 0.28 H new ATOM 0 HB3 SER A 132 0.349 -9.683 15.443 1.00 0.28 H new ATOM 0 HG SER A 132 1.484 -8.246 16.861 1.00 -0.68 H new ATOM 2018 N ASP A 133 2.618 -10.520 12.402 1.00 -0.73 N ATOM 2019 CA ASP A 133 3.079 -11.821 11.909 1.00 0.36 C ATOM 2020 C ASP A 133 4.567 -11.671 11.552 1.00 0.57 C ATOM 2021 O ASP A 133 4.919 -10.642 10.970 1.00 -0.57 O ATOM 2022 CB ASP A 133 2.275 -12.217 10.657 1.00 0.06 C ATOM 2023 CG ASP A 133 2.357 -13.714 10.362 1.00 0.66 C ATOM 2024 OD1 ASP A 133 1.418 -14.414 10.704 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 3.457 -14.151 9.755 1.00 -0.65 O ATOM 0 H ASP A 133 3.166 -9.741 12.037 1.00 -0.73 H new ATOM 0 HA ASP A 133 2.940 -12.595 12.663 1.00 0.36 H new ATOM 0 HB2 ASP A 133 1.232 -11.933 10.794 1.00 0.06 H new ATOM 0 HB3 ASP A 133 2.647 -11.659 9.798 1.00 0.06 H new ATOM 2031 N PRO A 134 5.461 -12.629 11.868 1.00 -0.66 N ATOM 2032 CA PRO A 134 6.898 -12.445 11.665 1.00 0.36 C ATOM 2033 C PRO A 134 7.299 -12.379 10.190 1.00 0.57 C ATOM 2034 O PRO A 134 8.373 -11.860 9.893 1.00 -0.57 O ATOM 2035 CB PRO A 134 7.581 -13.622 12.370 1.00 0.00 C ATOM 2036 CG PRO A 134 6.497 -14.698 12.449 1.00 0.00 C ATOM 2037 CD PRO A 134 5.186 -13.912 12.490 1.00 0.30 C ATOM 0 HA PRO A 134 7.208 -11.485 12.077 1.00 0.36 H new ATOM 0 HB2 PRO A 134 8.448 -13.972 11.810 1.00 0.00 H new ATOM 0 HB3 PRO A 134 7.935 -13.340 13.362 1.00 0.00 H new ATOM 0 HG2 PRO A 134 6.534 -15.364 11.587 1.00 0.00 H new ATOM 0 HG3 PRO A 134 6.617 -15.319 13.337 1.00 0.00 H new ATOM 0 HD2 PRO A 134 4.398 -14.442 11.956 1.00 0.30 H new ATOM 0 HD3 PRO A 134 4.843 -13.781 13.516 1.00 0.30 H new ATOM 2045 N ASN A 135 6.447 -12.877 9.282 1.00 -0.73 N ATOM 2046 CA ASN A 135 6.698 -12.929 7.846 1.00 0.36 C ATOM 2047 C ASN A 135 5.549 -12.212 7.106 1.00 0.57 C ATOM 2048 O ASN A 135 5.236 -12.548 5.960 1.00 -0.57 O ATOM 2049 CB ASN A 135 6.879 -14.398 7.399 1.00 0.06 C ATOM 2050 CG ASN A 135 8.208 -15.065 7.785 1.00 0.57 C ATOM 2051 OD1 ASN A 135 8.981 -14.614 8.630 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 8.517 -16.180 7.136 1.00 -0.80 N ATOM 0 H ASN A 135 5.540 -13.264 9.541 1.00 -0.73 H new ATOM 0 HA ASN A 135 7.623 -12.409 7.596 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.065 -14.987 7.821 1.00 0.06 H new ATOM 0 HB3 ASN A 135 6.776 -14.442 6.315 1.00 0.06 H new ATOM 0 HD21 ASN A 135 9.393 -16.661 7.338 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 7.878 -16.556 6.435 1.00 -0.80 H new ATOM 2059 N ALA A 136 4.899 -11.244 7.774 1.00 -0.73 N ATOM 2060 CA ALA A 136 3.861 -10.416 7.174 1.00 0.36 C ATOM 2061 C ALA A 136 4.419 -9.651 5.969 1.00 0.57 C ATOM 2062 O ALA A 136 5.507 -9.082 6.034 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.276 -9.447 8.218 1.00 0.00 C ATOM 0 H ALA A 136 5.087 -11.020 8.751 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.057 -11.063 6.824 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.502 -8.836 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.844 -10.016 9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.068 -8.802 8.599 1.00 0.00 H new ATOM 2069 N VAL A 137 3.639 -9.571 4.890 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.941 -8.675 3.773 1.00 0.36 C ATOM 2071 C VAL A 137 3.613 -7.224 4.165 1.00 0.57 C ATOM 2072 O VAL A 137 4.255 -6.288 3.681 1.00 -0.57 O ATOM 2073 CB VAL A 137 3.206 -9.174 2.513 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.689 -9.114 2.652 1.00 0.00 C ATOM 2075 CG2 VAL A 137 3.572 -8.417 1.234 1.00 0.00 C ATOM 0 H VAL A 137 2.788 -10.120 4.766 1.00 -0.73 H new ATOM 0 HA VAL A 137 5.005 -8.684 3.535 1.00 0.36 H new ATOM 0 HB VAL A 137 3.542 -10.207 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 137 1.225 -9.477 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.375 -9.738 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.381 -8.084 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 137 3.012 -8.829 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.325 -7.362 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.640 -8.520 1.043 1.00 0.00 H new ATOM 2085 N MET A 138 2.670 -7.022 5.099 1.00 -0.73 N ATOM 2086 CA MET A 138 2.370 -5.701 5.634 1.00 0.36 C ATOM 2087 C MET A 138 3.217 -5.372 6.876 1.00 0.57 C ATOM 2088 O MET A 138 2.887 -4.424 7.582 1.00 -0.57 O ATOM 2089 CB MET A 138 0.855 -5.550 5.904 1.00 0.00 C ATOM 2090 CG MET A 138 0.302 -4.248 5.291 1.00 0.23 C ATOM 2091 SD MET A 138 -0.863 -4.447 3.910 1.00 -0.46 S ATOM 2092 CE MET A 138 -0.012 -5.674 2.876 1.00 0.23 C ATOM 0 H MET A 138 2.102 -7.770 5.497 1.00 -0.73 H new ATOM 0 HA MET A 138 2.645 -4.967 4.877 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.323 -6.405 5.487 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.673 -5.554 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.194 -3.681 6.079 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.143 -3.647 4.946 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.303 -5.537 1.835 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.066 -5.545 2.972 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.288 -6.677 3.201 1.00 0.23 H new ATOM 2102 N TYR A 139 4.284 -6.123 7.193 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.030 -5.901 8.436 1.00 0.36 C ATOM 2104 C TYR A 139 5.825 -4.584 8.390 1.00 0.57 C ATOM 2105 O TYR A 139 6.290 -4.205 7.312 1.00 -0.57 O ATOM 2106 CB TYR A 139 5.962 -7.088 8.733 1.00 0.14 C ATOM 2107 CG TYR A 139 6.121 -7.474 10.198 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 5.028 -7.453 11.096 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 7.380 -7.903 10.657 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 5.211 -7.771 12.454 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 7.559 -8.269 12.001 1.00 -0.15 C ATOM 2112 CZ TYR A 139 6.482 -8.184 12.912 1.00 0.08 C ATOM 2113 OH TYR A 139 6.681 -8.492 14.225 1.00 -0.53 O ATOM 0 H TYR A 139 4.644 -6.880 6.612 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.304 -5.821 9.245 1.00 0.36 H new ATOM 0 HB2 TYR A 139 5.592 -7.957 8.189 1.00 0.14 H new ATOM 0 HB3 TYR A 139 6.949 -6.857 8.332 1.00 0.14 H new ATOM 0 HD1 TYR A 139 4.044 -7.190 10.736 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 8.213 -7.951 9.972 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 4.383 -7.700 13.144 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 8.524 -8.617 12.340 1.00 -0.15 H new ATOM 0 HH TYR A 139 7.615 -8.757 14.361 1.00 -0.53 H new ATOM 2123 N PRO A 140 5.992 -3.870 9.525 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.724 -2.613 9.549 1.00 0.36 C ATOM 2125 C PRO A 140 8.247 -2.814 9.550 1.00 0.57 C ATOM 2126 O PRO A 140 8.949 -2.194 8.757 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.249 -1.889 10.815 1.00 0.00 C ATOM 2128 CG PRO A 140 5.730 -2.981 11.744 1.00 0.00 C ATOM 2129 CD PRO A 140 5.371 -4.137 10.815 1.00 0.30 C ATOM 0 HA PRO A 140 6.525 -2.032 8.649 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.065 -1.335 11.279 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.466 -1.167 10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.487 -3.276 12.470 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.862 -2.642 12.309 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.727 -5.082 11.224 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.289 -4.223 10.710 1.00 0.30 H new ATOM 2137 N THR A 141 8.767 -3.660 10.449 1.00 -0.73 N ATOM 2138 CA THR A 141 10.198 -3.939 10.540 1.00 0.36 C ATOM 2139 C THR A 141 10.638 -4.699 9.281 1.00 0.57 C ATOM 2140 O THR A 141 10.109 -5.769 8.972 1.00 -0.57 O ATOM 2141 CB THR A 141 10.525 -4.651 11.871 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.883 -5.029 11.921 1.00 -0.68 O ATOM 2143 CG2 THR A 141 9.694 -5.899 12.178 1.00 0.00 C ATOM 0 H THR A 141 8.204 -4.168 11.131 1.00 -0.73 H new ATOM 0 HA THR A 141 10.778 -3.017 10.565 1.00 0.36 H new ATOM 0 HB THR A 141 10.275 -3.903 12.623 1.00 0.28 H new ATOM 0 HG1 THR A 141 12.067 -5.476 12.773 1.00 -0.68 H new ATOM 0 HG21 THR A 141 10.007 -6.318 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 141 8.639 -5.630 12.227 1.00 0.00 H new ATOM 0 HG23 THR A 141 9.844 -6.639 11.392 1.00 0.00 H new ATOM 2151 N TYR A 142 11.580 -4.119 8.522 1.00 -0.73 N ATOM 2152 CA TYR A 142 12.087 -4.731 7.302 1.00 0.36 C ATOM 2153 C TYR A 142 12.995 -5.902 7.676 1.00 0.57 C ATOM 2154 O TYR A 142 14.083 -5.723 8.234 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.830 -3.703 6.433 1.00 0.14 C ATOM 2156 CG TYR A 142 12.994 -4.087 4.964 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 13.905 -5.078 4.535 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.247 -3.387 4.001 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 14.094 -5.330 3.156 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.427 -3.632 2.631 1.00 -0.15 C ATOM 2161 CZ TYR A 142 13.361 -4.589 2.192 1.00 0.08 C ATOM 2162 OH TYR A 142 13.504 -4.743 0.841 1.00 -0.53 O ATOM 0 H TYR A 142 12.004 -3.218 8.742 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.251 -5.101 6.709 1.00 0.36 H new ATOM 0 HB2 TYR A 142 12.297 -2.754 6.486 1.00 0.14 H new ATOM 0 HB3 TYR A 142 13.819 -3.537 6.861 1.00 0.14 H new ATOM 0 HD1 TYR A 142 14.461 -5.647 5.265 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 11.524 -2.650 4.320 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 14.796 -6.086 2.836 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 11.844 -3.082 1.907 1.00 -0.15 H new ATOM 0 HH TYR A 142 12.898 -4.130 0.376 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.551 -7.112 7.351 1.00 -0.73 N ATOM 2173 CA GLY A 143 13.330 -8.324 7.485 1.00 0.36 C ATOM 2174 C GLY A 143 12.403 -9.523 7.587 1.00 0.57 C ATOM 2175 O GLY A 143 11.197 -9.368 7.768 1.00 -0.57 O ATOM 0 H GLY A 143 11.615 -7.274 6.978 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 13.993 -8.438 6.628 1.00 0.36 H new ATOM 0 HA3 GLY A 143 13.962 -8.265 8.371 1.00 0.36 H new ATOM 2179 N ASN A 144 13.004 -10.715 7.516 1.00 -0.73 N ATOM 2180 CA ASN A 144 12.391 -12.034 7.685 1.00 0.36 C ATOM 2181 C ASN A 144 11.403 -12.411 6.573 1.00 0.57 C ATOM 2182 O ASN A 144 11.582 -13.460 5.946 1.00 -0.57 O ATOM 2183 CB ASN A 144 11.731 -12.143 9.076 1.00 0.06 C ATOM 2184 CG ASN A 144 11.905 -13.504 9.734 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.609 -14.379 9.234 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 11.287 -13.701 10.890 1.00 -0.80 N ATOM 0 H ASN A 144 14.003 -10.787 7.325 1.00 -0.73 H new ATOM 0 HA ASN A 144 13.201 -12.759 7.609 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.152 -11.378 9.728 1.00 0.06 H new ATOM 0 HB3 ASN A 144 10.666 -11.930 8.980 1.00 0.06 H new ATOM 0 HD21 ASN A 144 11.392 -14.590 11.379 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 10.707 -12.964 11.290 1.00 -0.80 H new ATOM 2193 N GLY A 145 10.419 -11.538 6.323 1.00 -0.73 N ATOM 2194 CA GLY A 145 9.486 -11.563 5.211 1.00 0.36 C ATOM 2195 C GLY A 145 10.224 -11.164 3.939 1.00 0.57 C ATOM 2196 O GLY A 145 10.617 -10.010 3.791 1.00 -0.57 O ATOM 0 H GLY A 145 10.250 -10.744 6.941 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 9.057 -12.559 5.101 1.00 0.36 H new ATOM 0 HA3 GLY A 145 8.659 -10.878 5.397 1.00 0.36 H new ATOM 2200 N ASP A 146 10.446 -12.144 3.060 1.00 -0.73 N ATOM 2201 CA ASP A 146 11.091 -11.993 1.758 1.00 0.36 C ATOM 2202 C ASP A 146 10.390 -10.900 0.924 1.00 0.57 C ATOM 2203 O ASP A 146 9.252 -11.106 0.503 1.00 -0.57 O ATOM 2204 CB ASP A 146 11.069 -13.364 1.063 1.00 0.06 C ATOM 2205 CG ASP A 146 11.753 -13.409 -0.311 1.00 0.66 C ATOM 2206 OD1 ASP A 146 11.890 -12.388 -0.964 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 12.112 -14.603 -0.773 1.00 -0.65 O ATOM 0 H ASP A 146 10.168 -13.107 3.247 1.00 -0.73 H new ATOM 0 HA ASP A 146 12.125 -11.667 1.873 1.00 0.36 H new ATOM 0 HB2 ASP A 146 11.551 -14.092 1.715 1.00 0.06 H new ATOM 0 HB3 ASP A 146 10.032 -13.678 0.946 1.00 0.06 H new ATOM 2213 N PRO A 147 11.039 -9.743 0.673 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.433 -8.642 -0.063 1.00 0.36 C ATOM 2215 C PRO A 147 10.466 -8.855 -1.582 1.00 0.57 C ATOM 2216 O PRO A 147 9.837 -8.081 -2.302 1.00 -0.57 O ATOM 2217 CB PRO A 147 11.241 -7.404 0.338 1.00 0.00 C ATOM 2218 CG PRO A 147 12.636 -7.955 0.621 1.00 0.00 C ATOM 2219 CD PRO A 147 12.384 -9.382 1.105 1.00 0.30 C ATOM 0 HA PRO A 147 9.375 -8.547 0.181 1.00 0.36 H new ATOM 0 HB2 PRO A 147 11.258 -6.662 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 147 10.817 -6.917 1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 147 13.258 -7.942 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 147 13.152 -7.363 1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.121 -10.068 0.687 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.471 -9.443 2.190 1.00 0.30 H new ATOM 2227 N GLN A 148 11.189 -9.861 -2.097 1.00 -0.73 N ATOM 2228 CA GLN A 148 11.286 -10.133 -3.533 1.00 0.36 C ATOM 2229 C GLN A 148 10.284 -11.220 -3.956 1.00 0.57 C ATOM 2230 O GLN A 148 9.813 -11.231 -5.100 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.735 -10.530 -3.861 1.00 0.00 C ATOM 2232 CG GLN A 148 12.916 -10.794 -5.364 1.00 0.06 C ATOM 2233 CD GLN A 148 14.380 -10.912 -5.784 1.00 0.57 C ATOM 2234 OE1 GLN A 148 15.210 -10.064 -5.469 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 14.723 -11.964 -6.515 1.00 -0.80 N ATOM 0 H GLN A 148 11.725 -10.511 -1.522 1.00 -0.73 H new ATOM 0 HA GLN A 148 11.028 -9.237 -4.098 1.00 0.36 H new ATOM 0 HB2 GLN A 148 13.412 -9.736 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 148 13.006 -11.423 -3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 148 12.394 -11.713 -5.630 1.00 0.06 H new ATOM 0 HG3 GLN A 148 12.448 -9.987 -5.927 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.021 -12.660 -6.768 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 15.688 -12.077 -6.824 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.927 -12.112 -3.028 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.989 -13.206 -3.259 1.00 0.36 C ATOM 2246 C ASN A 149 7.769 -12.981 -2.366 1.00 0.57 C ATOM 2247 O ASN A 149 7.564 -13.693 -1.379 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.638 -14.581 -3.033 1.00 0.06 C ATOM 2249 CG ASN A 149 10.867 -14.831 -3.904 1.00 0.57 C ATOM 2250 OD1 ASN A 149 10.774 -15.422 -4.972 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 12.044 -14.419 -3.456 1.00 -0.80 N ATOM 0 H ASN A 149 10.292 -12.090 -2.076 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.676 -13.209 -4.303 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.922 -14.671 -1.985 1.00 0.06 H new ATOM 0 HB3 ASN A 149 8.900 -15.358 -3.230 1.00 0.06 H new ATOM 0 HD21 ASN A 149 12.887 -14.593 -4.003 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 12.107 -13.928 -2.564 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.976 -11.964 -2.727 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.789 -11.552 -1.994 1.00 0.36 C ATOM 2260 C PHE A 150 4.575 -11.650 -2.922 1.00 0.57 C ATOM 2261 O PHE A 150 4.646 -11.313 -4.111 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.978 -10.136 -1.422 1.00 0.14 C ATOM 2263 CG PHE A 150 5.572 -9.025 -2.371 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.479 -8.537 -3.328 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.248 -8.544 -2.351 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 6.056 -7.578 -4.264 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.832 -7.580 -3.276 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.736 -7.099 -4.229 1.00 -0.15 C ATOM 0 H PHE A 150 7.152 -11.397 -3.556 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.621 -12.212 -1.143 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.397 -10.046 -0.504 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.025 -10.002 -1.150 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.497 -8.898 -3.344 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.550 -8.921 -1.618 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.745 -7.210 -5.010 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 2.818 -7.209 -3.254 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.417 -6.354 -4.943 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.464 -12.143 -2.363 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.235 -12.447 -3.097 1.00 0.36 C ATOM 2280 C LYS A 151 1.070 -12.684 -2.125 1.00 0.57 C ATOM 2281 O LYS A 151 0.287 -13.606 -2.332 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.458 -13.587 -4.131 1.00 0.00 C ATOM 2283 CG LYS A 151 3.411 -14.744 -3.756 1.00 0.00 C ATOM 2284 CD LYS A 151 2.939 -15.730 -2.670 1.00 0.00 C ATOM 2285 CE LYS A 151 2.332 -16.995 -3.300 1.00 0.50 C ATOM 2286 NZ LYS A 151 2.112 -18.087 -2.318 1.00 -0.85 N ATOM 0 H LYS A 151 3.395 -12.345 -1.366 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.949 -11.582 -3.695 1.00 0.36 H new ATOM 0 HB2 LYS A 151 1.485 -14.020 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.831 -13.134 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 151 3.620 -15.315 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 151 4.355 -14.309 -3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 151 3.780 -16.004 -2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 151 2.199 -15.247 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 151 1.382 -16.740 -3.769 1.00 0.50 H new ATOM 0 HE3 LYS A 151 2.992 -17.353 -4.090 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 1.702 -18.911 -2.802 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 3.020 -18.355 -1.887 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 1.460 -17.761 -1.576 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.974 -11.836 -1.087 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.059 -11.853 -0.048 1.00 0.36 C ATOM 2302 C LEU A 152 0.028 -13.149 0.784 1.00 0.57 C ATOM 2303 O LEU A 152 -0.502 -14.184 0.393 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.464 -11.552 -0.629 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.593 -10.217 -1.404 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.422 -10.388 -2.918 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -2.974 -9.576 -1.208 1.00 0.00 C ATOM 0 H LEU A 152 1.650 -11.085 -0.947 1.00 -0.73 H new ATOM 0 HA LEU A 152 0.127 -11.038 0.652 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.745 -12.367 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.183 -11.548 0.190 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.798 -9.590 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.523 -9.419 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.435 -10.800 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.187 -11.067 -3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.024 -8.642 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.745 -10.257 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.134 -9.374 -0.149 1.00 0.00 H new ATOM 2319 N SER A 153 0.767 -13.115 1.906 1.00 -0.73 N ATOM 2320 CA SER A 153 1.123 -14.320 2.667 1.00 0.36 C ATOM 2321 C SER A 153 -0.043 -14.888 3.489 1.00 0.57 C ATOM 2322 O SER A 153 -0.649 -15.882 3.089 1.00 -0.57 O ATOM 2323 CB SER A 153 2.329 -14.031 3.577 1.00 0.28 C ATOM 2324 OG SER A 153 3.489 -13.752 2.825 1.00 -0.68 O ATOM 0 H SER A 153 1.133 -12.252 2.308 1.00 -0.73 H new ATOM 0 HA SER A 153 1.384 -15.086 1.937 1.00 0.36 H new ATOM 0 HB2 SER A 153 2.102 -13.185 4.225 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.511 -14.889 4.224 1.00 0.28 H new ATOM 0 HG SER A 153 4.237 -13.571 3.432 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.325 -14.297 4.658 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.290 -14.813 5.634 1.00 0.36 C ATOM 2332 C GLN A 154 -1.901 -13.632 6.369 1.00 0.57 C ATOM 2333 O GLN A 154 -3.119 -13.517 6.407 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.609 -15.731 6.672 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.301 -17.157 6.184 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.509 -18.100 6.176 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.647 -17.722 6.431 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -1.270 -19.381 5.919 1.00 -0.80 N ATOM 0 H GLN A 154 0.121 -13.430 4.956 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.045 -15.392 5.103 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.323 -15.264 6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.250 -15.796 7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 154 0.108 -17.102 5.175 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.474 -17.585 6.819 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -0.321 -19.690 5.707 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -2.035 -20.055 5.933 1.00 -0.80 H new ATOM 2347 N ASP A 155 -1.060 -12.725 6.871 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.421 -11.410 7.387 1.00 0.36 C ATOM 2349 C ASP A 155 -2.352 -10.666 6.436 1.00 0.57 C ATOM 2350 O ASP A 155 -3.367 -10.119 6.866 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.132 -10.591 7.588 1.00 0.06 C ATOM 2352 CG ASP A 155 0.645 -10.311 6.286 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.044 -9.177 6.079 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 0.857 -11.326 5.454 1.00 -0.65 O ATOM 0 H ASP A 155 -0.057 -12.901 6.930 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.949 -11.541 8.331 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.387 -9.641 8.058 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.520 -11.124 8.280 1.00 0.06 H new ATOM 2360 N ASP A 156 -2.002 -10.675 5.150 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.697 -9.927 4.119 1.00 0.36 C ATOM 2362 C ASP A 156 -4.053 -10.576 3.851 1.00 0.57 C ATOM 2363 O ASP A 156 -5.080 -9.905 3.907 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.809 -9.903 2.864 1.00 0.06 C ATOM 2365 CG ASP A 156 -1.917 -8.607 2.058 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.014 -8.368 1.274 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -2.971 -7.824 2.269 1.00 -0.65 O ATOM 0 H ASP A 156 -1.212 -11.214 4.796 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.884 -8.900 4.431 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.771 -10.050 3.162 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.079 -10.742 2.223 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.065 -11.909 3.678 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.278 -12.706 3.497 1.00 0.36 C ATOM 2375 C ILE A 157 -6.195 -12.533 4.711 1.00 0.57 C ATOM 2376 O ILE A 157 -7.392 -12.333 4.532 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.909 -14.194 3.221 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -4.713 -14.474 1.715 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.955 -15.211 3.723 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.636 -13.614 1.061 1.00 0.00 C ATOM 0 H ILE A 157 -3.212 -12.468 3.661 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.829 -12.355 2.625 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.981 -14.329 3.777 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -4.456 -15.525 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.659 -14.309 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.620 -16.222 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.075 -15.107 4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.910 -15.023 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.558 -13.870 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.900 -12.561 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -2.679 -13.796 1.550 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.654 -12.601 5.934 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.413 -12.487 7.176 1.00 0.36 C ATOM 2394 C LYS A 158 -7.016 -11.093 7.283 1.00 0.57 C ATOM 2395 O LYS A 158 -8.214 -10.965 7.540 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.479 -12.746 8.373 1.00 0.00 C ATOM 2397 CG LYS A 158 -6.229 -13.086 9.671 1.00 0.00 C ATOM 2398 CD LYS A 158 -6.150 -14.588 10.015 1.00 0.00 C ATOM 2399 CE LYS A 158 -5.497 -14.771 11.389 1.00 0.50 C ATOM 2400 NZ LYS A 158 -5.060 -16.160 11.625 1.00 -0.85 N ATOM 0 H LYS A 158 -4.655 -12.740 6.086 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.217 -13.223 7.180 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.804 -13.566 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.861 -11.864 8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.811 -12.505 10.493 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.274 -12.792 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -7.149 -15.023 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -5.573 -15.115 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -4.639 -14.104 11.472 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -6.204 -14.479 12.166 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -4.625 -16.232 12.567 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.881 -16.796 11.573 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.365 -16.433 10.901 1.00 -0.85 H new ATOM 2414 N GLY A 159 -6.187 -10.066 7.064 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.599 -8.679 7.074 1.00 0.36 C ATOM 2416 C GLY A 159 -7.724 -8.471 6.072 1.00 0.57 C ATOM 2417 O GLY A 159 -8.761 -7.926 6.447 1.00 -0.57 O ATOM 0 H GLY A 159 -5.193 -10.190 6.872 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.932 -8.396 8.073 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.754 -8.037 6.825 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.557 -8.961 4.837 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.585 -8.917 3.809 1.00 0.36 C ATOM 2423 C ILE A 160 -9.850 -9.656 4.258 1.00 0.57 C ATOM 2424 O ILE A 160 -10.917 -9.043 4.244 1.00 -0.57 O ATOM 2425 CB ILE A 160 -8.005 -9.401 2.453 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.435 -8.215 1.643 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.995 -10.211 1.603 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.487 -7.180 1.221 1.00 0.00 C ATOM 0 H ILE A 160 -6.691 -9.403 4.528 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.904 -7.887 3.651 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.197 -10.088 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.670 -7.717 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.943 -8.602 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.514 -10.512 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.307 -11.098 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.868 -9.598 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -8.006 -6.381 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -9.241 -7.661 0.597 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.963 -6.762 2.108 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.761 -10.924 4.679 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.918 -11.720 5.101 1.00 0.36 C ATOM 2442 C GLN A 161 -11.682 -11.038 6.239 1.00 0.57 C ATOM 2443 O GLN A 161 -12.897 -11.183 6.345 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.488 -13.149 5.511 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.836 -14.248 4.482 1.00 0.06 C ATOM 2446 CD GLN A 161 -11.792 -15.284 5.082 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -12.987 -15.022 5.203 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -11.316 -16.455 5.496 1.00 -0.80 N ATOM 0 H GLN A 161 -8.877 -11.429 4.736 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.591 -11.797 4.247 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -9.411 -13.156 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.960 -13.397 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -11.292 -13.795 3.602 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -9.923 -14.741 4.149 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.324 -16.667 5.393 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -11.943 -17.141 5.916 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.985 -10.277 7.083 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.602 -9.475 8.123 1.00 0.36 C ATOM 2459 C LYS A 162 -12.228 -8.187 7.566 1.00 0.57 C ATOM 2460 O LYS A 162 -13.282 -7.776 8.041 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.515 -9.218 9.166 1.00 0.00 C ATOM 2462 CG LYS A 162 -11.065 -8.581 10.441 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.274 -9.120 11.636 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.851 -8.559 12.927 1.00 0.50 C ATOM 2465 NZ LYS A 162 -10.069 -9.030 14.083 1.00 -0.85 N ATOM 0 H LYS A 162 -9.968 -10.204 7.058 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.442 -9.998 8.580 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -10.026 -10.160 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.753 -8.567 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.979 -7.496 10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -12.124 -8.812 10.553 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -10.316 -10.209 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -9.224 -8.842 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -10.843 -7.470 12.894 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -11.891 -8.867 13.033 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -10.289 -8.444 14.913 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -10.311 -10.021 14.285 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -9.054 -8.958 13.868 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.617 -7.577 6.544 1.00 -0.73 N ATOM 2480 CA LEU A 163 -12.060 -6.346 5.888 1.00 0.36 C ATOM 2481 C LEU A 163 -13.424 -6.498 5.199 1.00 0.57 C ATOM 2482 O LEU A 163 -14.244 -5.584 5.285 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.990 -5.907 4.858 1.00 0.00 C ATOM 2484 CG LEU A 163 -10.453 -4.472 4.983 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -11.533 -3.447 4.660 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.853 -4.175 6.362 1.00 0.00 C ATOM 0 H LEU A 163 -10.760 -7.948 6.134 1.00 -0.73 H new ATOM 0 HA LEU A 163 -12.182 -5.585 6.659 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.146 -6.593 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.411 -6.026 3.860 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.649 -4.391 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -11.122 -2.442 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -11.884 -3.598 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -12.367 -3.567 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -9.491 -3.147 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -10.617 -4.310 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -9.024 -4.856 6.552 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.672 -7.635 4.529 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.951 -7.914 3.851 1.00 0.36 C ATOM 2500 C TYR A 164 -15.798 -8.952 4.599 1.00 0.57 C ATOM 2501 O TYR A 164 -16.833 -9.386 4.093 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.736 -8.309 2.378 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.307 -9.749 2.130 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.949 -10.095 2.184 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.253 -10.740 1.802 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.525 -11.403 1.898 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.846 -12.065 1.553 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.474 -12.403 1.604 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.066 -13.685 1.384 1.00 -0.53 O ATOM 0 H TYR A 164 -12.991 -8.389 4.441 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.520 -6.984 3.862 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.663 -8.128 1.835 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.982 -7.647 1.951 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -12.219 -9.345 2.449 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.300 -10.481 1.741 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.472 -11.643 1.903 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.581 -12.822 1.323 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.845 -14.249 1.196 1.00 -0.53 H new ATOM 2519 N GLY A 165 -15.358 -9.343 5.799 1.00 -0.73 N ATOM 2520 CA GLY A 165 -15.963 -10.371 6.622 1.00 0.36 C ATOM 2521 C GLY A 165 -15.939 -9.909 8.074 1.00 0.57 C ATOM 2522 O GLY A 165 -16.344 -8.782 8.368 1.00 -0.57 O ATOM 0 H GLY A 165 -14.534 -8.928 6.234 1.00 -0.73 H new ATOM 0 HA2 GLY A 165 -16.988 -10.558 6.301 1.00 0.36 H new ATOM 0 HA3 GLY A 165 -15.420 -11.310 6.515 1.00 0.36 H new ATOM 2526 N LYS A 166 -15.481 -10.779 8.981 1.00 -0.73 N ATOM 2527 CA LYS A 166 -15.415 -10.488 10.416 1.00 0.36 C ATOM 2528 C LYS A 166 -14.243 -11.198 11.086 1.00 0.57 C ATOM 2529 O LYS A 166 -13.469 -10.556 11.795 1.00 -0.57 O ATOM 2530 CB LYS A 166 -16.716 -10.924 11.119 1.00 0.00 C ATOM 2531 CG LYS A 166 -17.915 -9.975 10.922 1.00 0.00 C ATOM 2532 CD LYS A 166 -18.678 -9.764 12.238 1.00 0.00 C ATOM 2533 CE LYS A 166 -17.990 -8.647 13.037 1.00 0.50 C ATOM 2534 NZ LYS A 166 -18.086 -8.835 14.501 1.00 -0.85 N ATOM 0 H LYS A 166 -15.144 -11.710 8.738 1.00 -0.73 H new ATOM 0 HA LYS A 166 -15.278 -9.411 10.511 1.00 0.36 H new ATOM 0 HB2 LYS A 166 -16.993 -11.914 10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -16.519 -11.019 12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -17.564 -9.015 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -18.588 -10.387 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -19.715 -9.498 12.034 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -18.694 -10.687 12.817 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -16.939 -8.599 12.751 1.00 0.50 H new ATOM 0 HE3 LYS A 166 -18.437 -7.689 12.770 1.00 0.50 H new ATOM 0 HZ1 LYS A 166 -17.604 -8.050 14.984 1.00 -0.85 H new ATOM 0 HZ2 LYS A 166 -19.087 -8.853 14.784 1.00 -0.85 H new ATOM 0 HZ3 LYS A 166 -17.635 -9.734 14.766 1.00 -0.85 H new ATOM 2548 N ARG A 167 -14.116 -12.519 10.850 1.00 -0.73 N ATOM 2549 CA ARG A 167 -13.193 -13.395 11.577 1.00 0.36 C ATOM 2550 C ARG A 167 -13.466 -13.361 13.096 1.00 0.57 C ATOM 2551 O ARG A 167 -14.426 -12.735 13.559 1.00 -0.57 O ATOM 2552 CB ARG A 167 -11.733 -13.074 11.144 1.00 0.00 C ATOM 2553 CG ARG A 167 -11.121 -14.148 10.221 1.00 0.00 C ATOM 2554 CD ARG A 167 -10.024 -14.942 10.941 1.00 0.33 C ATOM 2555 NE ARG A 167 -9.770 -16.240 10.286 1.00 -0.84 N ATOM 2556 CZ ARG A 167 -9.348 -17.360 10.900 1.00 1.20 C ATOM 2557 NH1 ARG A 167 -8.964 -17.349 12.176 1.00 -0.97 N ATOM 2558 NH2 ARG A 167 -9.287 -18.514 10.236 1.00 -0.97 N ATOM 0 H ARG A 167 -14.661 -13.008 10.139 1.00 -0.73 H new ATOM 0 HA ARG A 167 -13.359 -14.439 11.312 1.00 0.36 H new ATOM 0 HB2 ARG A 167 -11.716 -12.112 10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -11.111 -12.972 12.034 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -11.903 -14.828 9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -10.705 -13.673 9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -9.104 -14.357 10.959 1.00 0.33 H new ATOM 0 HD3 ARG A 167 -10.316 -15.109 11.978 1.00 0.33 H new ATOM 0 HE ARG A 167 -9.928 -16.292 9.280 1.00 -0.84 H new ATOM 0 HH11 ARG A 167 -8.986 -16.479 12.708 1.00 -0.97 H new ATOM 0 HH12 ARG A 167 -8.648 -18.211 12.621 1.00 -0.97 H new ATOM 0 HH21 ARG A 167 -9.561 -18.553 9.254 1.00 -0.97 H new ATOM 0 HH22 ARG A 167 -8.966 -19.358 10.709 1.00 -0.97 H new ATOM 2572 N SER A 168 -12.681 -14.123 13.868 1.00 -0.73 N ATOM 2573 CA SER A 168 -12.705 -14.043 15.323 1.00 0.36 C ATOM 2574 C SER A 168 -11.745 -12.922 15.725 1.00 0.57 C ATOM 2575 O SER A 168 -10.540 -13.030 15.495 1.00 -0.57 O ATOM 2576 CB SER A 168 -12.332 -15.402 15.942 1.00 0.28 C ATOM 2577 OG SER A 168 -13.169 -15.650 17.055 1.00 -0.68 O ATOM 0 H SER A 168 -12.018 -14.805 13.500 1.00 -0.73 H new ATOM 0 HA SER A 168 -13.702 -13.812 15.698 1.00 0.36 H new ATOM 0 HB2 SER A 168 -12.445 -16.195 15.203 1.00 0.28 H new ATOM 0 HB3 SER A 168 -11.287 -15.400 16.251 1.00 0.28 H new ATOM 0 HG SER A 168 -12.937 -16.515 17.452 1.00 -0.68 H new ATOM 2583 N ASN A 169 -12.271 -11.816 16.257 1.00 -0.73 N ATOM 2584 CA ASN A 169 -11.461 -10.747 16.836 1.00 0.36 C ATOM 2585 C ASN A 169 -11.222 -11.025 18.325 1.00 0.57 C ATOM 2586 O ASN A 169 -12.006 -11.723 18.963 1.00 -0.57 O ATOM 2587 CB ASN A 169 -12.150 -9.383 16.611 1.00 0.06 C ATOM 2588 CG ASN A 169 -13.398 -9.204 17.476 1.00 0.57 C ATOM 2589 OD1 ASN A 169 -14.433 -9.808 17.213 1.00 -0.57 O ATOM 2590 ND2 ASN A 169 -13.341 -8.362 18.500 1.00 -0.80 N ATOM 0 H ASN A 169 -13.275 -11.638 16.297 1.00 -0.73 H new ATOM 0 HA ASN A 169 -10.490 -10.713 16.343 1.00 0.36 H new ATOM 0 HB2 ASN A 169 -11.443 -8.583 16.830 1.00 0.06 H new ATOM 0 HB3 ASN A 169 -12.424 -9.288 15.560 1.00 0.06 H new ATOM 0 HD21 ASN A 169 -14.165 -8.209 19.081 1.00 -0.80 H new ATOM 0 HD22 ASN A 169 -12.473 -7.867 18.706 1.00 -0.80 H new ATOM 2597 N SER A 170 -10.161 -10.435 18.884 1.00 -0.73 N ATOM 2598 CA SER A 170 -9.898 -10.387 20.319 1.00 0.36 C ATOM 2599 C SER A 170 -9.194 -9.057 20.610 1.00 0.57 C ATOM 2600 O SER A 170 -8.924 -8.276 19.692 1.00 -0.57 O ATOM 2601 CB SER A 170 -9.057 -11.591 20.798 1.00 0.28 C ATOM 2602 OG SER A 170 -9.132 -11.680 22.219 1.00 -0.68 O ATOM 0 H SER A 170 -9.443 -9.965 18.332 1.00 -0.73 H new ATOM 0 HA SER A 170 -10.837 -10.450 20.870 1.00 0.36 H new ATOM 0 HB2 SER A 170 -9.426 -12.511 20.344 1.00 0.28 H new ATOM 0 HB3 SER A 170 -8.020 -11.474 20.483 1.00 0.28 H new ATOM 0 HG SER A 170 -8.601 -12.444 22.527 1.00 -0.68 H new ATOM 2608 N ARG A 171 -8.923 -8.804 21.892 1.00 -0.73 N ATOM 2609 CA ARG A 171 -8.262 -7.591 22.374 1.00 0.36 C ATOM 2610 C ARG A 171 -6.835 -7.499 21.810 1.00 0.57 C ATOM 2611 O ARG A 171 -6.169 -8.524 21.680 1.00 -0.57 O ATOM 2612 CB ARG A 171 -8.244 -7.620 23.913 1.00 0.00 C ATOM 2613 CG ARG A 171 -8.398 -6.214 24.501 1.00 0.00 C ATOM 2614 CD ARG A 171 -8.287 -6.247 26.031 1.00 0.33 C ATOM 2615 NE ARG A 171 -8.940 -5.078 26.647 1.00 -0.84 N ATOM 2616 CZ ARG A 171 -10.255 -4.954 26.892 1.00 1.20 C ATOM 2617 NH1 ARG A 171 -11.111 -5.937 26.593 1.00 -0.97 N ATOM 2618 NH2 ARG A 171 -10.709 -3.830 27.442 1.00 -0.97 N ATOM 0 H ARG A 171 -9.163 -9.453 22.641 1.00 -0.73 H new ATOM 0 HA ARG A 171 -8.808 -6.710 22.035 1.00 0.36 H new ATOM 0 HB2 ARG A 171 -9.050 -8.258 24.276 1.00 0.00 H new ATOM 0 HB3 ARG A 171 -7.309 -8.060 24.259 1.00 0.00 H new ATOM 0 HG2 ARG A 171 -7.631 -5.557 24.091 1.00 0.00 H new ATOM 0 HG3 ARG A 171 -9.363 -5.797 24.211 1.00 0.00 H new ATOM 0 HD2 ARG A 171 -8.744 -7.161 26.410 1.00 0.33 H new ATOM 0 HD3 ARG A 171 -7.236 -6.272 26.320 1.00 0.33 H new ATOM 0 HE ARG A 171 -8.341 -4.295 26.910 1.00 -0.84 H new ATOM 0 HH11 ARG A 171 -10.769 -6.800 26.171 1.00 -0.97 H new ATOM 0 HH12 ARG A 171 -12.106 -5.823 26.787 1.00 -0.97 H new ATOM 0 HH21 ARG A 171 -10.061 -3.077 27.672 1.00 -0.97 H new ATOM 0 HH22 ARG A 171 -11.705 -3.722 27.634 1.00 -0.97 H new ATOM 2632 N LYS A 172 -6.347 -6.283 21.512 1.00 -0.73 N ATOM 2633 CA LYS A 172 -5.038 -6.101 20.867 1.00 0.36 C ATOM 2634 C LYS A 172 -3.860 -6.119 21.857 1.00 0.57 C ATOM 2635 O LYS A 172 -2.840 -6.745 21.560 1.00 -0.57 O ATOM 2636 CB LYS A 172 -5.044 -4.801 20.044 1.00 0.00 C ATOM 2637 CG LYS A 172 -3.758 -4.671 19.201 1.00 0.00 C ATOM 2638 CD LYS A 172 -2.886 -3.462 19.579 1.00 0.00 C ATOM 2639 CE LYS A 172 -3.163 -2.313 18.605 1.00 0.50 C ATOM 2640 NZ LYS A 172 -2.474 -1.066 18.989 1.00 -0.85 N ATOM 0 H LYS A 172 -6.840 -5.412 21.708 1.00 -0.73 H new ATOM 0 HA LYS A 172 -4.883 -6.955 20.208 1.00 0.36 H new ATOM 0 HB2 LYS A 172 -5.915 -4.786 19.389 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -5.133 -3.944 20.712 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -3.168 -5.581 19.312 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -4.031 -4.595 18.149 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -3.102 -3.148 20.600 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -1.831 -3.735 19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -2.846 -2.606 17.604 1.00 0.50 H new ATOM 0 HE3 LYS A 172 -4.237 -2.131 18.559 1.00 0.50 H new ATOM 0 HZ1 LYS A 172 -2.694 -0.321 18.298 1.00 -0.85 H new ATOM 0 HZ2 LYS A 172 -2.794 -0.769 19.933 1.00 -0.85 H new ATOM 0 HZ3 LYS A 172 -1.447 -1.228 19.007 1.00 -0.85 H new ATOM 2654 N LYS A 173 -4.015 -5.459 23.016 1.00 -0.73 N ATOM 2655 CA LYS A 173 -2.992 -5.327 24.065 1.00 0.19 C ATOM 2656 CB LYS A 173 -3.040 -6.601 24.937 1.00 0.00 C ATOM 2657 CG LYS A 173 -2.394 -6.477 26.332 1.00 0.00 C ATOM 2658 CD LYS A 173 -3.332 -5.917 27.426 1.00 0.00 C ATOM 2659 CE LYS A 173 -2.980 -4.475 27.833 1.00 0.50 C ATOM 2660 NZ LYS A 173 -4.158 -3.606 28.080 1.00 -0.85 N ATOM 0 H LYS A 173 -4.886 -4.986 23.256 1.00 -0.73 H new ATOM 0 HB2 LYS A 173 -4.082 -6.894 25.063 1.00 0.00 H new ATOM 0 HB3 LYS A 173 -2.545 -7.408 24.397 1.00 0.00 H new ATOM 0 HG2 LYS A 173 -2.040 -7.460 26.643 1.00 0.00 H new ATOM 0 HG3 LYS A 173 -1.519 -5.832 26.257 1.00 0.00 H new ATOM 0 HD2 LYS A 173 -4.361 -5.947 27.067 1.00 0.00 H new ATOM 0 HD3 LYS A 173 -3.282 -6.560 28.305 1.00 0.00 H new ATOM 0 HE2 LYS A 173 -2.368 -4.503 28.735 1.00 0.50 H new ATOM 0 HE3 LYS A 173 -2.370 -4.027 27.048 1.00 0.50 H new ATOM 0 HZ1 LYS A 173 -3.837 -2.654 28.349 1.00 -0.85 H new ATOM 0 HZ2 LYS A 173 -4.733 -3.546 27.215 1.00 -0.85 H new ATOM 0 HZ3 LYS A 173 -4.731 -4.008 28.849 1.00 -0.85 H new TER 2674 LYS A 173 HETATM 2675 CA CA A 174 12.695 8.082 4.815 1.00 2.00 CA HETATM 2676 CA CA A 175 -7.323 10.534 -0.783 1.00 2.00 CA HETATM 2677 ZN ZN A 176 2.699 12.534 3.742 1.00 2.00 ZN HETATM 2678 ZN ZN A 177 2.345 -0.041 7.283 1.00 2.00 ZN HETATM 2679 C3 MDW A 178 6.338 2.963 11.557 1.00 0.00 C HETATM 2680 C2 MDW A 178 5.419 3.984 11.804 1.00 0.00 C HETATM 2681 O1 MDW A 178 5.201 4.377 13.092 1.00 0.00 O HETATM 2682 C7 MDW A 178 4.726 4.592 10.749 1.00 0.00 C HETATM 2683 O12 MDW A 178 3.829 5.623 11.021 1.00 0.00 O HETATM 2684 C13 MDW A 178 3.342 6.522 9.999 1.00 0.00 C HETATM 2685 C6 MDW A 178 4.933 4.122 9.445 1.00 0.00 C HETATM 2686 C5 MDW A 178 5.823 3.072 9.193 1.00 0.00 C HETATM 2687 C8 MDW A 178 5.930 2.527 7.774 1.00 0.00 C HETATM 2688 C14 MDW A 178 4.631 1.842 7.387 1.00 0.00 C HETATM 2689 O15 MDW A 178 4.302 0.702 7.810 1.00 0.00 O HETATM 2690 N16 MDW A 178 3.812 2.569 6.586 1.00 0.00 N HETATM 2691 O17 MDW A 178 2.550 2.070 6.281 1.00 0.00 O HETATM 2692 C4 MDW A 178 6.548 2.511 10.252 1.00 0.00 C HETATM 2693 C10 MDW A 178 7.559 1.416 9.993 1.00 0.00 C HETATM 2694 C11 MDW A 178 7.307 0.674 8.678 1.00 0.00 C HETATM 2695 N9 MDW A 178 7.101 1.626 7.571 1.00 0.00 N HETATM 2696 S18 MDW A 178 8.485 2.245 6.879 1.00 0.00 S HETATM 2697 O40 MDW A 178 8.234 3.638 6.454 1.00 0.00 O HETATM 2698 O41 MDW A 178 9.688 1.983 7.720 1.00 0.00 O HETATM 2699 C19 MDW A 178 8.509 1.271 5.419 1.00 0.00 C HETATM 2700 C20 MDW A 178 7.617 1.547 4.378 1.00 0.00 C HETATM 2701 C21 MDW A 178 7.772 0.894 3.154 1.00 0.00 C HETATM 2702 C22 MDW A 178 8.829 -0.001 2.977 1.00 0.00 C HETATM 2703 O25 MDW A 178 9.036 -0.585 1.746 1.00 0.00 O HETATM 2704 C26 MDW A 178 9.128 -2.017 1.646 1.00 0.00 C HETATM 2705 C23 MDW A 178 9.693 -0.282 4.036 1.00 0.00 C HETATM 2706 C24 MDW A 178 9.508 0.315 5.276 1.00 0.00 C HETATM 0 H48 MDW A 178 6.809 2.265 4.521 1.00 0.00 H new HETATM 0 H47 MDW A 178 9.961 -2.371 2.253 1.00 0.00 H new HETATM 0 H46 MDW A 178 8.202 -2.467 2.003 1.00 0.00 H new HETATM 0 H45 MDW A 178 9.291 -2.299 0.606 1.00 0.00 H new HETATM 0 H44 MDW A 178 10.136 0.039 6.123 1.00 0.00 H new HETATM 0 H43 MDW A 178 10.520 -0.976 3.889 1.00 0.00 H new HETATM 0 H42 MDW A 178 7.071 1.082 2.340 1.00 0.00 H new HETATM 0 H38 MDW A 178 4.117 3.468 6.213 1.00 0.00 H new HETATM 0 H37 MDW A 178 4.182 7.052 9.550 1.00 0.00 H new HETATM 0 H36 MDW A 178 2.820 5.951 9.231 1.00 0.00 H new HETATM 0 H35 MDW A 178 2.656 7.242 10.445 1.00 0.00 H new HETATM 0 H34 MDW A 178 8.154 0.025 8.453 1.00 0.00 H new HETATM 0 H33 MDW A 178 6.432 0.032 8.779 1.00 0.00 H new HETATM 0 H32 MDW A 178 8.559 1.848 9.975 1.00 0.00 H new HETATM 0 H31 MDW A 178 7.535 0.703 10.817 1.00 0.00 H new HETATM 0 H30 MDW A 178 6.101 3.378 7.115 1.00 0.00 H new HETATM 0 H29 MDW A 178 4.394 4.580 8.616 1.00 0.00 H new HETATM 0 H28 MDW A 178 6.892 2.518 12.383 1.00 0.00 H new HETATM 0 H27 MDW A 178 4.565 5.122 13.103 1.00 0.00 H new