USER MOD reduce.3.24.130724 H: found=0, std=0, add=1219, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1221 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 168 CYS SG : rot -142:sc=-0.00299 USER MOD Set 2.1: A 109 HIS : no HE2:sc= 0 X(o=0.075,f=-0.056) USER MOD Set 2.2: A 147 SER OG : rot 29:sc= 0.0746 USER MOD Set 3.1: A 83 TYR OH : rot 180:sc= -0.343 USER MOD Set 3.2: A 174 LYS NZ :NH3+ 180:sc= -0.0937 (180deg=-0.0937) USER MOD Set 4.1: A 15 ASN : amide:sc= -2.94! C(o=-1.7!,f=-1.6!) USER MOD Set 4.2: A 63 THR OG1 : rot -73:sc= 1.24 USER MOD Set 5.1: A 20 SER OG : rot 180:sc= -0.646 USER MOD Set 5.2: A 31 LYS NZ :NH3+ -169:sc= -0.0992 (180deg=-0.308) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0355) USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.189 F(o=-0.73,f=-0.19) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.85 X(o=-0.85,f=-0.95) USER MOD Single : A 29 TYR OH : rot 100:sc= -1.93! USER MOD Single : A 53 SER OG : rot 80:sc= -2.14 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.263 F(o=-1.2,f=-0.26) USER MOD Single : A 58 GLN : amide:sc= -2.3! C(o=-2.3!,f=-2.9!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.76! C(o=-2.8!,f=-6.1!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0.789 (180deg=0.756) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.6!) USER MOD Single : A 97 SER OG : rot -156:sc= 0.445 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -3.73! C(o=-3.7!,f=-6!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.003) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.029) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 161:sc= -0.0746 (180deg=-0.396) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 169:sc=-0.00917 (180deg=-0.139) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN :FLIP amide:sc= -1.92! C(o=-5.9!,f=-1.9!) USER MOD Single : A 166 LYS NZ :NH3+ -111:sc= 1.51 (180deg=-0.594) USER MOD Single : A 173 MET CE :methyl 155:sc= -0.229 (180deg=-0.967) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 12.202 -13.036 2.745 1.00 0.23 N ATOM 56 CA LEU A 6 11.401 -11.782 2.716 1.00 0.22 C ATOM 57 C LEU A 6 11.300 -11.072 4.107 1.00 0.17 C ATOM 58 O LEU A 6 11.533 -9.855 4.216 1.00 0.16 O ATOM 59 CB LEU A 6 10.009 -12.117 2.127 1.00 0.24 C ATOM 60 CG LEU A 6 9.111 -10.927 1.674 1.00 0.27 C ATOM 61 CD1 LEU A 6 9.822 -9.952 0.728 1.00 0.33 C ATOM 62 CD2 LEU A 6 7.808 -11.390 1.011 1.00 0.35 C ATOM 0 HA LEU A 6 11.911 -11.056 2.083 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.157 -12.772 1.268 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.457 -12.689 2.873 1.00 0.24 H new ATOM 0 HG LEU A 6 8.878 -10.402 2.601 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.139 -9.149 0.453 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.694 -9.531 1.228 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.139 -10.482 -0.170 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.221 -10.520 0.715 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.041 -11.988 0.130 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.235 -11.992 1.716 1.00 0.35 H new ATOM 74 N ALA A 7 10.939 -11.866 5.162 1.00 0.17 N ATOM 75 CA ALA A 7 10.845 -11.424 6.604 1.00 0.16 C ATOM 76 C ALA A 7 12.184 -10.861 7.230 1.00 0.15 C ATOM 77 O ALA A 7 12.150 -10.085 8.197 1.00 0.15 O ATOM 78 CB ALA A 7 10.325 -12.613 7.442 1.00 0.20 C ATOM 0 H ALA A 7 10.700 -12.850 5.039 1.00 0.17 H new ATOM 0 HA ALA A 7 10.159 -10.577 6.623 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.249 -12.316 8.488 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.342 -12.912 7.078 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.016 -13.451 7.352 1.00 0.20 H new ATOM 84 N ASP A 8 13.357 -11.242 6.639 1.00 0.16 N ATOM 85 CA ASP A 8 14.699 -10.779 7.080 1.00 0.18 C ATOM 86 C ASP A 8 15.141 -9.422 6.436 1.00 0.17 C ATOM 87 O ASP A 8 16.117 -8.818 6.891 1.00 0.21 O ATOM 88 CB ASP A 8 15.753 -11.858 6.777 1.00 0.21 C ATOM 89 CG ASP A 8 16.067 -12.743 7.979 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.303 -13.700 8.227 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.076 -12.476 8.666 1.00 0.32 O ATOM 0 H ASP A 8 13.392 -11.879 5.843 1.00 0.16 H new ATOM 0 HA ASP A 8 14.622 -10.606 8.153 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.399 -12.482 5.956 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.670 -11.376 6.439 1.00 0.21 H new ATOM 96 N LYS A 9 14.415 -8.951 5.380 1.00 0.14 N ATOM 97 CA LYS A 9 14.742 -7.673 4.704 1.00 0.14 C ATOM 98 C LYS A 9 13.720 -6.537 4.993 1.00 0.10 C ATOM 99 O LYS A 9 14.061 -5.374 4.763 1.00 0.10 O ATOM 100 CB LYS A 9 14.917 -7.834 3.166 1.00 0.19 C ATOM 101 CG LYS A 9 15.440 -9.218 2.714 1.00 0.32 C ATOM 102 CD LYS A 9 15.732 -9.302 1.189 1.00 0.92 C ATOM 103 CE LYS A 9 17.093 -8.695 0.791 1.00 1.20 C ATOM 104 NZ LYS A 9 17.349 -8.834 -0.669 1.00 1.73 N ATOM 0 H LYS A 9 13.609 -9.437 4.987 1.00 0.14 H new ATOM 0 HA LYS A 9 15.698 -7.379 5.137 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.957 -7.649 2.684 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.605 -7.067 2.811 1.00 0.19 H new ATOM 0 HG2 LYS A 9 16.352 -9.450 3.264 1.00 0.32 H new ATOM 0 HG3 LYS A 9 14.706 -9.979 2.978 1.00 0.32 H new ATOM 0 HD2 LYS A 9 15.704 -10.346 0.878 1.00 0.92 H new ATOM 0 HD3 LYS A 9 14.940 -8.786 0.646 1.00 0.92 H new ATOM 0 HE2 LYS A 9 17.116 -7.641 1.066 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.889 -9.188 1.349 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 18.240 -8.356 -0.912 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 17.419 -9.842 -0.915 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 16.567 -8.401 -1.201 1.00 1.73 H new ATOM 118 N VAL A 10 12.455 -6.855 5.471 1.00 0.09 N ATOM 119 CA VAL A 10 11.417 -5.813 5.848 1.00 0.07 C ATOM 120 C VAL A 10 11.897 -4.735 6.924 1.00 0.06 C ATOM 121 O VAL A 10 12.582 -5.063 7.901 1.00 0.09 O ATOM 122 CB VAL A 10 10.018 -6.528 6.250 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.001 -7.279 7.627 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.791 -5.567 6.164 1.00 0.10 C ATOM 0 H VAL A 10 12.135 -7.815 5.602 1.00 0.09 H new ATOM 0 HA VAL A 10 11.255 -5.212 4.953 1.00 0.07 H new ATOM 0 HB VAL A 10 9.930 -7.298 5.484 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.016 -7.717 7.790 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.753 -8.068 7.620 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.222 -6.574 8.429 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.886 -6.106 6.445 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.939 -4.727 6.843 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.690 -5.196 5.144 1.00 0.10 H new ATOM 134 N ILE A 11 11.510 -3.469 6.683 1.00 0.06 N ATOM 135 CA ILE A 11 11.836 -2.362 7.617 1.00 0.07 C ATOM 136 C ILE A 11 10.569 -1.635 8.123 1.00 0.07 C ATOM 137 O ILE A 11 10.579 -1.095 9.233 1.00 0.08 O ATOM 138 CB ILE A 11 12.835 -1.281 7.031 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.463 -0.874 5.561 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.318 -1.768 7.146 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.585 0.626 5.252 1.00 0.16 C ATOM 0 H ILE A 11 10.977 -3.183 5.861 1.00 0.06 H new ATOM 0 HA ILE A 11 12.339 -2.863 8.444 1.00 0.07 H new ATOM 0 HB ILE A 11 12.737 -0.380 7.636 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.106 -1.425 4.874 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.439 -1.189 5.361 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.983 -1.008 6.737 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.564 -1.940 8.194 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.441 -2.696 6.588 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.307 0.807 4.214 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.921 1.188 5.909 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.614 0.948 5.414 1.00 0.16 H new ATOM 153 N TRP A 12 9.477 -1.631 7.311 1.00 0.06 N ATOM 154 CA TRP A 12 8.235 -0.927 7.677 1.00 0.07 C ATOM 155 C TRP A 12 7.037 -1.372 6.778 1.00 0.08 C ATOM 156 O TRP A 12 7.088 -1.226 5.567 1.00 0.10 O ATOM 157 CB TRP A 12 8.545 0.581 7.539 1.00 0.10 C ATOM 158 CG TRP A 12 7.522 1.516 8.094 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.484 2.121 9.319 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.398 1.969 7.385 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.377 2.932 9.395 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.695 2.848 8.208 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.933 1.696 6.113 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.534 3.463 7.783 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.803 2.284 5.684 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.096 3.170 6.507 1.00 0.54 C ATOM 0 H TRP A 12 9.440 -2.105 6.409 1.00 0.06 H new ATOM 0 HA TRP A 12 7.927 -1.165 8.695 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.496 0.782 8.032 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.679 0.808 6.481 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.211 1.983 10.105 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.108 3.500 10.198 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.472 1.017 5.470 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.992 4.144 8.422 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.435 2.070 4.691 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.193 3.632 6.137 1.00 0.54 H new ATOM 177 N ALA A 13 5.949 -1.943 7.380 1.00 0.09 N ATOM 178 CA ALA A 13 4.727 -2.376 6.607 1.00 0.12 C ATOM 179 C ALA A 13 3.412 -2.007 7.354 1.00 0.16 C ATOM 180 O ALA A 13 3.273 -2.280 8.561 1.00 0.19 O ATOM 181 CB ALA A 13 4.748 -3.896 6.279 1.00 0.14 C ATOM 0 H ALA A 13 5.887 -2.115 8.383 1.00 0.09 H new ATOM 0 HA ALA A 13 4.753 -1.829 5.665 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.849 -4.161 5.722 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.628 -4.126 5.678 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.782 -4.468 7.206 1.00 0.14 H new ATOM 187 N VAL A 14 2.438 -1.358 6.639 1.00 0.20 N ATOM 188 CA VAL A 14 1.143 -0.926 7.279 1.00 0.26 C ATOM 189 C VAL A 14 -0.126 -1.168 6.368 1.00 0.27 C ATOM 190 O VAL A 14 -0.143 -0.816 5.190 1.00 0.28 O ATOM 191 CB VAL A 14 1.153 0.635 7.782 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.120 1.091 8.555 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.313 0.987 8.723 1.00 1.05 C ATOM 0 H VAL A 14 2.517 -1.127 5.649 1.00 0.20 H new ATOM 0 HA VAL A 14 1.065 -1.572 8.154 1.00 0.26 H new ATOM 0 HB VAL A 14 1.234 1.148 6.824 1.00 0.34 H new ATOM 0 HG11 VAL A 14 -0.015 2.137 8.844 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.995 0.977 7.915 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.242 0.478 9.448 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.245 2.037 9.008 1.00 1.05 H new ATOM 0 HG22 VAL A 14 2.259 0.365 9.616 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.261 0.810 8.214 1.00 1.05 H new ATOM 203 N ASN A 15 -1.207 -1.732 6.993 1.00 0.33 N ATOM 204 CA ASN A 15 -2.540 -1.881 6.338 1.00 0.43 C ATOM 205 C ASN A 15 -3.549 -1.009 7.126 1.00 0.46 C ATOM 206 O ASN A 15 -3.987 -1.385 8.207 1.00 0.55 O ATOM 207 CB ASN A 15 -3.060 -3.375 6.201 1.00 0.56 C ATOM 208 CG ASN A 15 -4.317 -3.540 5.331 1.00 1.40 C ATOM 209 OD1 ASN A 15 -5.208 -4.307 5.673 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.397 -2.815 4.230 1.00 2.11 N ATOM 0 H ASN A 15 -1.177 -2.089 7.948 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.437 -1.548 5.305 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.261 -3.986 5.781 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.270 -3.765 7.197 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.221 -2.884 3.633 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.635 -2.186 3.977 1.00 2.11 H new ATOM 217 N ALA A 16 -3.951 0.144 6.536 1.00 0.47 N ATOM 218 CA ALA A 16 -4.914 1.080 7.170 1.00 0.54 C ATOM 219 C ALA A 16 -6.386 0.570 7.040 1.00 0.58 C ATOM 220 O ALA A 16 -6.975 0.542 5.933 1.00 0.63 O ATOM 221 CB ALA A 16 -4.734 2.502 6.583 1.00 0.59 C ATOM 0 H ALA A 16 -3.622 0.449 5.620 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.701 1.126 8.238 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.444 3.182 7.053 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.718 2.849 6.774 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.913 2.477 5.508 1.00 0.59 H new ATOM 227 N GLY A 17 -6.921 0.092 8.189 1.00 0.58 N ATOM 228 CA GLY A 17 -8.277 -0.452 8.237 1.00 0.61 C ATOM 229 C GLY A 17 -8.626 -1.252 9.492 1.00 0.62 C ATOM 230 O GLY A 17 -9.681 -1.030 10.093 1.00 0.71 O ATOM 0 H GLY A 17 -6.429 0.077 9.083 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.983 0.373 8.146 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.423 -1.093 7.368 1.00 0.61 H new ATOM 234 N GLY A 18 -7.736 -2.185 9.886 1.00 0.72 N ATOM 235 CA GLY A 18 -7.983 -3.047 11.059 1.00 0.73 C ATOM 236 C GLY A 18 -6.976 -2.840 12.184 1.00 0.68 C ATOM 237 O GLY A 18 -6.892 -1.737 12.737 1.00 0.80 O ATOM 0 H GLY A 18 -6.849 -2.360 9.415 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.986 -2.853 11.439 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.957 -4.091 10.746 1.00 0.73 H new ATOM 241 N GLU A 19 -6.221 -3.906 12.547 1.00 0.59 N ATOM 242 CA GLU A 19 -5.176 -3.806 13.590 1.00 0.60 C ATOM 243 C GLU A 19 -4.247 -5.053 13.613 1.00 0.54 C ATOM 244 O GLU A 19 -4.696 -6.176 13.863 1.00 0.65 O ATOM 245 CB GLU A 19 -5.808 -3.513 15.001 1.00 0.77 C ATOM 246 CG GLU A 19 -6.312 -4.730 15.790 1.00 1.43 C ATOM 247 CD GLU A 19 -6.963 -4.343 17.104 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.235 -4.204 18.110 1.00 1.63 O ATOM 249 OE2 GLU A 19 -8.201 -4.182 17.128 1.00 1.50 O ATOM 0 H GLU A 19 -6.316 -4.835 12.136 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.542 -2.957 13.333 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -5.064 -2.997 15.608 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.642 -2.825 14.865 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -7.029 -5.281 15.182 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -5.477 -5.403 15.986 1.00 1.43 H new ATOM 256 N SER A 20 -2.926 -4.803 13.336 1.00 0.48 N ATOM 257 CA SER A 20 -1.780 -5.800 13.320 1.00 0.45 C ATOM 258 C SER A 20 -1.976 -7.140 12.549 1.00 0.43 C ATOM 259 O SER A 20 -2.760 -7.993 12.980 1.00 0.51 O ATOM 260 CB SER A 20 -1.342 -6.145 14.750 1.00 0.52 C ATOM 261 OG SER A 20 -0.244 -5.347 15.159 1.00 1.00 O ATOM 0 H SER A 20 -2.608 -3.861 13.106 1.00 0.48 H new ATOM 0 HA SER A 20 -1.025 -5.256 12.752 1.00 0.45 H new ATOM 0 HB2 SER A 20 -2.177 -5.996 15.434 1.00 0.52 H new ATOM 0 HB3 SER A 20 -1.069 -7.199 14.805 1.00 0.52 H new ATOM 0 HG SER A 20 0.012 -5.587 16.074 1.00 1.00 H new ATOM 267 N HIS A 21 -1.245 -7.340 11.430 1.00 0.39 N ATOM 268 CA HIS A 21 -1.366 -8.632 10.698 1.00 0.40 C ATOM 269 C HIS A 21 -0.053 -9.118 10.064 1.00 0.40 C ATOM 270 O HIS A 21 0.665 -8.371 9.409 1.00 0.41 O ATOM 271 CB HIS A 21 -2.487 -8.600 9.615 1.00 0.43 C ATOM 272 CG HIS A 21 -2.632 -9.905 8.844 1.00 0.41 C ATOM 273 ND1 HIS A 21 -2.120 -10.309 7.646 1.00 0.39 N flip ATOM 274 CD2 HIS A 21 -3.283 -11.005 9.346 1.00 0.45 C flip ATOM 275 CE1 HIS A 21 -2.459 -11.604 7.467 1.00 0.40 C flip ATOM 276 NE2 HIS A 21 -3.152 -12.005 8.495 1.00 0.43 N flip ATOM 0 H HIS A 21 -0.595 -6.666 11.025 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.638 -9.350 11.472 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.437 -8.365 10.095 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.277 -7.794 8.912 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -3.816 -11.045 10.285 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -2.198 -12.209 6.611 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -3.533 -12.943 8.622 1.00 0.43 H new ATOM 285 N VAL A 22 0.183 -10.440 10.212 1.00 0.41 N ATOM 286 CA VAL A 22 1.359 -11.126 9.615 1.00 0.43 C ATOM 287 C VAL A 22 0.922 -11.968 8.394 1.00 0.44 C ATOM 288 O VAL A 22 0.121 -12.903 8.510 1.00 0.48 O ATOM 289 CB VAL A 22 2.225 -12.095 10.549 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.665 -11.594 10.748 1.00 1.38 C ATOM 291 CG2 VAL A 22 1.627 -12.440 11.937 1.00 1.39 C ATOM 0 H VAL A 22 -0.428 -11.060 10.743 1.00 0.41 H new ATOM 0 HA VAL A 22 2.010 -10.285 9.376 1.00 0.43 H new ATOM 0 HB VAL A 22 2.212 -13.020 9.973 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.207 -12.289 11.389 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.164 -11.528 9.781 1.00 1.38 H new ATOM 0 HG13 VAL A 22 3.646 -10.609 11.215 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.308 -13.102 12.472 1.00 1.39 H new ATOM 0 HG22 VAL A 22 1.487 -11.524 12.511 1.00 1.39 H new ATOM 0 HG23 VAL A 22 0.666 -12.937 11.806 1.00 1.39 H new ATOM 301 N ASP A 23 1.503 -11.620 7.236 1.00 0.41 N ATOM 302 CA ASP A 23 1.259 -12.303 5.938 1.00 0.44 C ATOM 303 C ASP A 23 2.132 -13.607 5.835 1.00 0.43 C ATOM 304 O ASP A 23 3.170 -13.707 6.497 1.00 0.41 O ATOM 305 CB ASP A 23 1.460 -11.211 4.792 1.00 0.49 C ATOM 306 CG ASP A 23 2.162 -11.601 3.465 1.00 1.04 C ATOM 307 OD1 ASP A 23 3.401 -11.756 3.465 1.00 1.46 O ATOM 308 OD2 ASP A 23 1.458 -11.747 2.443 1.00 1.85 O ATOM 0 H ASP A 23 2.165 -10.848 7.164 1.00 0.41 H new ATOM 0 HA ASP A 23 0.242 -12.681 5.831 1.00 0.44 H new ATOM 0 HB2 ASP A 23 0.474 -10.824 4.536 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.023 -10.385 5.226 1.00 0.49 H new ATOM 313 N VAL A 24 1.674 -14.546 4.952 1.00 0.47 N ATOM 314 CA VAL A 24 2.274 -15.940 4.675 1.00 0.50 C ATOM 315 C VAL A 24 3.838 -16.097 4.563 1.00 0.47 C ATOM 316 O VAL A 24 4.360 -17.175 4.865 1.00 0.51 O ATOM 317 CB VAL A 24 1.603 -16.686 3.412 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.222 -17.272 3.752 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.450 -15.808 2.126 1.00 0.58 C ATOM 0 H VAL A 24 0.848 -14.371 4.380 1.00 0.47 H new ATOM 0 HA VAL A 24 2.012 -16.418 5.619 1.00 0.50 H new ATOM 0 HB VAL A 24 2.317 -17.478 3.188 1.00 0.57 H new ATOM 0 HG11 VAL A 24 -0.191 -17.764 2.872 1.00 0.72 H new ATOM 0 HG12 VAL A 24 0.323 -17.997 4.559 1.00 0.72 H new ATOM 0 HG13 VAL A 24 -0.446 -16.470 4.066 1.00 0.72 H new ATOM 0 HG21 VAL A 24 0.989 -16.399 1.334 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.821 -14.945 2.347 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.432 -15.467 1.799 1.00 0.58 H new ATOM 329 N HIS A 25 4.555 -15.042 4.142 1.00 0.42 N ATOM 330 CA HIS A 25 6.039 -15.067 4.062 1.00 0.40 C ATOM 331 C HIS A 25 6.694 -14.504 5.368 1.00 0.36 C ATOM 332 O HIS A 25 7.883 -14.715 5.622 1.00 0.39 O ATOM 333 CB HIS A 25 6.529 -14.252 2.853 1.00 0.38 C ATOM 334 CG HIS A 25 5.804 -14.538 1.562 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.064 -15.642 0.776 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.827 -13.846 0.920 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.281 -15.616 -0.291 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.523 -14.538 -0.225 1.00 0.51 N ATOM 0 H HIS A 25 4.138 -14.158 3.850 1.00 0.42 H new ATOM 0 HA HIS A 25 6.339 -16.108 3.945 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.428 -13.191 3.083 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.592 -14.447 2.708 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.374 -12.923 1.250 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.265 -16.352 -1.081 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.823 -14.263 -0.915 1.00 0.51 H new ATOM 347 N GLY A 26 5.870 -13.788 6.174 1.00 0.34 N ATOM 348 CA GLY A 26 6.271 -13.195 7.441 1.00 0.32 C ATOM 349 C GLY A 26 6.358 -11.668 7.429 1.00 0.27 C ATOM 350 O GLY A 26 7.286 -11.094 8.001 1.00 0.26 O ATOM 0 H GLY A 26 4.892 -13.613 5.942 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.562 -13.500 8.211 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.243 -13.599 7.725 1.00 0.32 H new ATOM 354 N ILE A 27 5.369 -11.011 6.783 1.00 0.26 N ATOM 355 CA ILE A 27 5.325 -9.529 6.696 1.00 0.23 C ATOM 356 C ILE A 27 4.202 -8.984 7.654 1.00 0.26 C ATOM 357 O ILE A 27 3.017 -9.233 7.446 1.00 0.33 O ATOM 358 CB ILE A 27 5.213 -9.078 5.155 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.510 -9.440 4.313 1.00 0.18 C ATOM 360 CG2 ILE A 27 4.881 -7.567 4.896 1.00 0.26 C ATOM 361 CD1 ILE A 27 7.893 -9.130 4.895 1.00 0.55 C ATOM 0 H ILE A 27 4.593 -11.479 6.315 1.00 0.26 H new ATOM 0 HA ILE A 27 6.249 -9.074 7.052 1.00 0.23 H new ATOM 0 HB ILE A 27 4.353 -9.658 4.821 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.476 -10.509 4.102 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.434 -8.923 3.356 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.832 -7.384 3.823 1.00 0.26 H new ATOM 0 HG22 ILE A 27 3.921 -7.322 5.350 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.660 -6.943 5.335 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.663 -9.442 4.189 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.980 -8.059 5.077 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.022 -9.669 5.834 1.00 0.55 H new ATOM 373 N HIS A 28 4.618 -8.181 8.651 1.00 0.25 N ATOM 374 CA HIS A 28 3.700 -7.658 9.688 1.00 0.30 C ATOM 375 C HIS A 28 3.322 -6.166 9.562 1.00 0.28 C ATOM 376 O HIS A 28 4.172 -5.296 9.346 1.00 0.28 O ATOM 377 CB HIS A 28 4.355 -7.869 11.062 1.00 0.40 C ATOM 378 CG HIS A 28 3.415 -8.102 12.226 1.00 0.63 C ATOM 379 ND1 HIS A 28 3.688 -9.010 13.230 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.217 -7.551 12.544 1.00 0.96 C ATOM 381 CE1 HIS A 28 2.700 -9.010 14.106 1.00 1.30 C ATOM 382 NE2 HIS A 28 1.796 -8.133 13.714 1.00 1.34 N ATOM 0 H HIS A 28 5.586 -7.878 8.763 1.00 0.25 H new ATOM 0 HA HIS A 28 2.769 -8.210 9.558 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.030 -8.722 10.992 1.00 0.40 H new ATOM 0 HB3 HIS A 28 4.967 -6.996 11.287 1.00 0.40 H new ATOM 0 HD2 HIS A 28 1.691 -6.794 11.981 1.00 0.96 H new ATOM 0 HE1 HIS A 28 2.642 -9.624 14.993 1.00 1.30 H new ATOM 0 HE2 HIS A 28 0.925 -7.922 14.201 1.00 1.34 H new ATOM 391 N TYR A 29 2.003 -5.908 9.744 1.00 0.33 N ATOM 392 CA TYR A 29 1.429 -4.533 9.773 1.00 0.38 C ATOM 393 C TYR A 29 1.309 -4.032 11.244 1.00 0.45 C ATOM 394 O TYR A 29 0.831 -4.761 12.126 1.00 0.46 O ATOM 395 CB TYR A 29 0.048 -4.468 8.992 1.00 0.45 C ATOM 396 CG TYR A 29 -1.147 -3.709 9.659 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.030 -2.391 10.120 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.384 -4.335 9.857 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.103 -1.752 10.731 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.436 -3.703 10.462 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.258 -2.286 10.806 1.00 2.21 C ATOM 402 OH TYR A 29 -4.363 -1.826 11.501 1.00 2.79 O ATOM 0 H TYR A 29 1.307 -6.642 9.875 1.00 0.33 H new ATOM 0 HA TYR A 29 2.106 -3.857 9.251 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.236 -4.006 8.023 1.00 0.45 H new ATOM 0 HB3 TYR A 29 -0.274 -5.492 8.800 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.095 -1.865 9.999 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.512 -5.353 9.520 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.953 -0.771 11.156 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.357 -4.223 10.677 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.974 -1.375 10.882 1.00 2.79 H new ATOM 412 N ARG A 30 1.682 -2.739 11.433 1.00 0.54 N ATOM 413 CA ARG A 30 1.675 -2.047 12.749 1.00 0.63 C ATOM 414 C ARG A 30 0.421 -1.152 12.955 1.00 0.91 C ATOM 415 O ARG A 30 0.289 -0.112 12.316 1.00 1.87 O ATOM 416 CB ARG A 30 2.929 -1.147 12.879 1.00 0.72 C ATOM 417 CG ARG A 30 4.210 -1.715 12.231 1.00 0.68 C ATOM 418 CD ARG A 30 5.342 -0.678 12.161 1.00 0.87 C ATOM 419 NE ARG A 30 6.622 -1.301 11.827 1.00 1.70 N ATOM 420 CZ ARG A 30 7.798 -0.692 11.944 1.00 2.08 C ATOM 421 NH1 ARG A 30 7.864 0.563 12.372 1.00 1.93 N ATOM 422 NH2 ARG A 30 8.913 -1.338 11.631 1.00 3.00 N ATOM 0 H ARG A 30 1.999 -2.142 10.669 1.00 0.54 H new ATOM 0 HA ARG A 30 1.667 -2.831 13.507 1.00 0.63 H new ATOM 0 HB2 ARG A 30 2.711 -0.179 12.429 1.00 0.72 H new ATOM 0 HB3 ARG A 30 3.123 -0.970 13.937 1.00 0.72 H new ATOM 0 HG2 ARG A 30 4.549 -2.580 12.801 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.980 -2.066 11.225 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.098 0.078 11.414 1.00 0.87 H new ATOM 0 HD3 ARG A 30 5.426 -0.164 13.119 1.00 0.87 H new ATOM 0 HE ARG A 30 6.612 -2.261 11.483 1.00 1.70 H new ATOM 0 HH11 ARG A 30 7.010 1.065 12.613 1.00 1.93 H new ATOM 0 HH12 ARG A 30 8.769 1.025 12.460 1.00 1.93 H new ATOM 0 HH21 ARG A 30 8.868 -2.302 11.301 1.00 3.00 H new ATOM 0 HH22 ARG A 30 9.815 -0.871 11.721 1.00 3.00 H new ATOM 436 N LYS A 31 -0.498 -1.634 13.834 1.00 0.57 N ATOM 437 CA LYS A 31 -1.815 -1.005 14.282 1.00 0.59 C ATOM 438 C LYS A 31 -1.984 0.546 14.282 1.00 0.64 C ATOM 439 O LYS A 31 -1.325 1.246 15.059 1.00 0.79 O ATOM 440 CB LYS A 31 -2.101 -1.445 15.734 1.00 0.73 C ATOM 441 CG LYS A 31 -2.001 -2.956 15.984 1.00 1.15 C ATOM 442 CD LYS A 31 -2.472 -3.383 17.404 1.00 1.44 C ATOM 443 CE LYS A 31 -1.545 -2.873 18.529 1.00 1.70 C ATOM 444 NZ LYS A 31 -0.112 -3.181 18.258 1.00 2.30 N ATOM 0 H LYS A 31 -0.348 -2.533 14.292 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.496 -1.360 13.508 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -1.402 -0.935 16.397 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -3.102 -1.112 16.009 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.599 -3.480 15.239 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -0.967 -3.272 15.842 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -3.481 -3.007 17.574 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -2.526 -4.471 17.451 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -1.669 -1.796 18.640 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -1.840 -3.327 19.475 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 0.451 -2.992 19.112 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -0.016 -4.182 17.994 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 0.230 -2.583 17.479 1.00 2.30 H new ATOM 458 N ASP A 32 -2.901 1.033 13.380 1.00 0.61 N ATOM 459 CA ASP A 32 -3.351 2.488 13.189 1.00 0.72 C ATOM 460 C ASP A 32 -2.299 3.626 13.464 1.00 0.75 C ATOM 461 O ASP A 32 -2.527 4.490 14.319 1.00 1.00 O ATOM 462 CB ASP A 32 -4.603 2.757 14.061 1.00 0.86 C ATOM 463 CG ASP A 32 -5.900 2.184 13.504 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.839 1.182 12.760 1.00 1.01 O ATOM 465 OD2 ASP A 32 -6.976 2.733 13.827 1.00 1.17 O ATOM 0 H ASP A 32 -3.377 0.407 12.730 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.542 2.552 12.118 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -4.434 2.340 15.054 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -4.720 3.834 14.183 1.00 0.86 H new ATOM 470 N PRO A 33 -1.139 3.637 12.747 1.00 0.59 N ATOM 471 CA PRO A 33 -0.071 4.649 12.949 1.00 0.66 C ATOM 472 C PRO A 33 -0.104 5.890 11.999 1.00 0.83 C ATOM 473 O PRO A 33 0.917 6.254 11.404 1.00 1.45 O ATOM 474 CB PRO A 33 1.178 3.793 12.700 1.00 0.59 C ATOM 475 CG PRO A 33 0.767 2.894 11.561 1.00 0.57 C ATOM 476 CD PRO A 33 -0.733 2.630 11.746 1.00 0.49 C ATOM 0 HA PRO A 33 -0.150 5.129 13.925 1.00 0.66 H new ATOM 0 HB2 PRO A 33 2.039 4.407 12.436 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.454 3.219 13.585 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.963 3.369 10.600 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.332 1.962 11.577 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.280 2.750 10.811 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.922 1.616 12.098 1.00 0.49 H new ATOM 715 N PRO A 49 -15.192 -9.148 0.134 1.00 0.82 N ATOM 716 CA PRO A 49 -13.828 -9.799 0.135 1.00 0.89 C ATOM 717 C PRO A 49 -13.015 -9.693 -1.177 1.00 0.75 C ATOM 718 O PRO A 49 -13.580 -9.504 -2.257 1.00 0.78 O ATOM 719 CB PRO A 49 -14.144 -11.292 0.385 1.00 1.31 C ATOM 720 CG PRO A 49 -15.528 -11.305 0.958 1.00 1.37 C ATOM 721 CD PRO A 49 -16.250 -10.187 0.248 1.00 1.05 C ATOM 0 HA PRO A 49 -13.203 -9.298 0.874 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -14.095 -11.866 -0.540 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -13.427 -11.737 1.075 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -16.018 -12.264 0.787 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -15.511 -11.143 2.036 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -16.621 -10.498 -0.728 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -17.109 -9.832 0.817 1.00 1.05 H new ATOM 729 N ILE A 50 -11.665 -9.825 -1.048 1.00 0.67 N ATOM 730 CA ILE A 50 -10.728 -9.773 -2.181 1.00 0.60 C ATOM 731 C ILE A 50 -10.535 -11.222 -2.796 1.00 0.64 C ATOM 732 O ILE A 50 -10.356 -12.213 -2.076 1.00 0.69 O ATOM 733 CB ILE A 50 -9.391 -8.947 -1.708 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.491 -7.444 -2.131 1.00 0.54 C ATOM 735 CG2 ILE A 50 -8.029 -9.470 -2.244 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.670 -6.655 -1.574 1.00 0.59 C ATOM 0 H ILE A 50 -11.206 -9.970 -0.149 1.00 0.67 H new ATOM 0 HA ILE A 50 -11.108 -9.207 -3.032 1.00 0.60 H new ATOM 0 HB ILE A 50 -9.388 -9.092 -0.628 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.572 -6.943 -1.827 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.534 -7.399 -3.219 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -7.223 -8.843 -1.863 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -7.878 -10.497 -1.912 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -8.030 -9.437 -3.333 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.627 -5.629 -1.940 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.603 -7.117 -1.898 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.625 -6.654 -0.485 1.00 0.59 H new ATOM 748 N LEU A 51 -10.558 -11.275 -4.143 1.00 0.65 N ATOM 749 CA LEU A 51 -10.480 -12.538 -4.929 1.00 0.71 C ATOM 750 C LEU A 51 -9.056 -13.038 -5.315 1.00 0.78 C ATOM 751 O LEU A 51 -8.899 -14.226 -5.611 1.00 1.26 O ATOM 752 CB LEU A 51 -11.292 -12.341 -6.223 1.00 0.74 C ATOM 753 CG LEU A 51 -12.640 -13.105 -6.360 1.00 0.86 C ATOM 754 CD1 LEU A 51 -13.574 -12.387 -7.333 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.420 -14.543 -6.832 1.00 1.28 C ATOM 0 H LEU A 51 -10.632 -10.441 -4.726 1.00 0.65 H new ATOM 0 HA LEU A 51 -10.875 -13.310 -4.268 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -11.499 -11.276 -6.329 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -10.658 -12.628 -7.062 1.00 0.74 H new ATOM 0 HG LEU A 51 -13.100 -13.129 -5.372 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -14.510 -12.939 -7.413 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -13.777 -11.380 -6.967 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -13.102 -12.328 -8.314 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.382 -15.049 -6.917 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -11.926 -14.535 -7.804 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.795 -15.071 -6.112 1.00 1.28 H new ATOM 767 N ARG A 52 -8.026 -12.159 -5.315 1.00 0.58 N ATOM 768 CA ARG A 52 -6.637 -12.572 -5.682 1.00 0.58 C ATOM 769 C ARG A 52 -5.707 -12.849 -4.456 1.00 0.57 C ATOM 770 O ARG A 52 -4.479 -12.869 -4.598 1.00 0.65 O ATOM 771 CB ARG A 52 -5.975 -11.507 -6.590 1.00 0.57 C ATOM 772 CG ARG A 52 -6.881 -10.944 -7.710 1.00 0.70 C ATOM 773 CD ARG A 52 -7.061 -11.919 -8.889 1.00 0.64 C ATOM 774 NE ARG A 52 -5.805 -12.156 -9.601 1.00 0.87 N ATOM 775 CZ ARG A 52 -5.700 -12.923 -10.683 1.00 1.19 C ATOM 776 NH1 ARG A 52 -6.771 -13.536 -11.173 1.00 1.34 N ATOM 777 NH2 ARG A 52 -4.525 -13.080 -11.275 1.00 1.51 N ATOM 0 H ARG A 52 -8.120 -11.173 -5.070 1.00 0.58 H new ATOM 0 HA ARG A 52 -6.749 -13.517 -6.214 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -5.638 -10.679 -5.966 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -5.087 -11.943 -7.047 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -7.859 -10.704 -7.292 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -6.455 -10.011 -8.079 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -7.452 -12.867 -8.519 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -7.800 -11.517 -9.582 1.00 0.64 H new ATOM 0 HE ARG A 52 -4.960 -11.707 -9.247 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -7.677 -13.419 -10.720 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -6.687 -14.123 -12.003 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -3.699 -12.612 -10.901 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -4.446 -13.668 -12.104 1.00 1.51 H new ATOM 791 N SER A 53 -6.304 -13.072 -3.267 1.00 0.53 N ATOM 792 CA SER A 53 -5.553 -13.365 -2.038 1.00 0.54 C ATOM 793 C SER A 53 -6.191 -14.544 -1.230 1.00 0.57 C ATOM 794 O SER A 53 -7.161 -15.179 -1.670 1.00 0.67 O ATOM 795 CB SER A 53 -5.478 -12.084 -1.171 1.00 0.53 C ATOM 796 OG SER A 53 -4.282 -12.052 -0.409 1.00 1.09 O ATOM 0 H SER A 53 -7.315 -13.053 -3.136 1.00 0.53 H new ATOM 0 HA SER A 53 -4.547 -13.681 -2.315 1.00 0.54 H new ATOM 0 HB2 SER A 53 -5.528 -11.204 -1.812 1.00 0.53 H new ATOM 0 HB3 SER A 53 -6.339 -12.042 -0.504 1.00 0.53 H new ATOM 0 HG SER A 53 -3.541 -11.752 -0.976 1.00 1.09 H new ATOM 802 N ASN A 54 -5.618 -14.828 -0.032 1.00 0.59 N ATOM 803 CA ASN A 54 -6.115 -15.904 0.906 1.00 0.64 C ATOM 804 C ASN A 54 -7.109 -15.274 1.950 1.00 0.63 C ATOM 805 O ASN A 54 -7.406 -14.091 1.829 1.00 0.66 O ATOM 806 CB ASN A 54 -4.960 -16.636 1.713 1.00 0.80 C ATOM 807 CG ASN A 54 -3.493 -16.376 1.324 1.00 0.85 C ATOM 808 OD1 ASN A 54 -2.661 -16.204 2.347 1.00 1.27 O flip ATOM 809 ND2 ASN A 54 -3.126 -16.346 0.148 1.00 1.12 N flip ATOM 0 H ASN A 54 -4.802 -14.329 0.322 1.00 0.59 H new ATOM 0 HA ASN A 54 -6.600 -16.649 0.275 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -5.073 -16.369 2.764 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -5.135 -17.709 1.636 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -3.804 -16.484 -0.602 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.144 -16.183 -0.076 1.00 1.12 H new ATOM 816 N PRO A 55 -7.695 -16.023 2.973 1.00 0.71 N ATOM 817 CA PRO A 55 -8.595 -15.402 4.028 1.00 0.75 C ATOM 818 C PRO A 55 -7.840 -14.460 5.017 1.00 0.74 C ATOM 819 O PRO A 55 -8.309 -13.351 5.348 1.00 0.80 O ATOM 820 CB PRO A 55 -9.154 -16.624 4.791 1.00 0.89 C ATOM 821 CG PRO A 55 -8.967 -17.774 3.839 1.00 0.95 C ATOM 822 CD PRO A 55 -7.651 -17.496 3.142 1.00 0.83 C ATOM 0 HA PRO A 55 -9.354 -14.769 3.568 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -8.617 -16.789 5.725 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -10.204 -16.487 5.047 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -8.939 -18.725 4.370 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -9.788 -17.832 3.124 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -6.797 -17.812 3.741 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -7.579 -18.014 2.186 1.00 0.83 H new ATOM 830 N GLU A 56 -6.609 -14.903 5.388 1.00 0.71 N ATOM 831 CA GLU A 56 -5.660 -14.172 6.294 1.00 0.73 C ATOM 832 C GLU A 56 -5.093 -12.874 5.631 1.00 0.65 C ATOM 833 O GLU A 56 -5.218 -11.741 6.162 1.00 0.67 O ATOM 834 CB GLU A 56 -4.492 -15.127 6.707 1.00 0.80 C ATOM 835 CG GLU A 56 -3.913 -16.010 5.597 1.00 0.97 C ATOM 836 CD GLU A 56 -2.826 -16.931 6.115 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.736 -16.429 6.464 1.00 1.63 O ATOM 838 OE2 GLU A 56 -3.062 -18.156 6.168 1.00 2.04 O ATOM 0 H GLU A 56 -6.234 -15.794 5.064 1.00 0.71 H new ATOM 0 HA GLU A 56 -6.214 -13.862 7.180 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -3.685 -14.522 7.119 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -4.847 -15.774 7.509 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.711 -16.605 5.153 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -3.508 -15.379 4.806 1.00 0.97 H new ATOM 845 N ASP A 57 -4.572 -13.044 4.395 1.00 0.62 N ATOM 846 CA ASP A 57 -4.039 -11.932 3.584 1.00 0.58 C ATOM 847 C ASP A 57 -5.172 -11.090 2.891 1.00 0.52 C ATOM 848 O ASP A 57 -4.907 -10.041 2.318 1.00 0.53 O ATOM 849 CB ASP A 57 -3.047 -12.475 2.568 1.00 0.60 C ATOM 850 CG ASP A 57 -1.609 -12.114 2.896 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.176 -11.002 2.524 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.918 -12.942 3.525 1.00 1.62 O ATOM 0 H ASP A 57 -4.510 -13.953 3.936 1.00 0.62 H new ATOM 0 HA ASP A 57 -3.525 -11.243 4.254 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -3.142 -13.560 2.519 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -3.297 -12.088 1.580 1.00 0.60 H new ATOM 857 N GLN A 58 -6.460 -11.570 3.017 1.00 0.52 N ATOM 858 CA GLN A 58 -7.690 -10.864 2.551 1.00 0.51 C ATOM 859 C GLN A 58 -7.982 -9.700 3.523 1.00 0.50 C ATOM 860 O GLN A 58 -8.299 -8.607 3.102 1.00 0.49 O ATOM 861 CB GLN A 58 -8.884 -11.834 2.516 1.00 0.60 C ATOM 862 CG GLN A 58 -10.143 -11.323 1.813 1.00 0.84 C ATOM 863 CD GLN A 58 -11.232 -12.374 1.796 1.00 0.91 C ATOM 864 OE1 GLN A 58 -12.065 -12.435 2.701 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.229 -13.216 0.768 1.00 1.77 N ATOM 0 H GLN A 58 -6.663 -12.470 3.452 1.00 0.52 H new ATOM 0 HA GLN A 58 -7.535 -10.480 1.543 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -8.565 -12.753 2.025 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -9.145 -12.095 3.542 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -10.506 -10.429 2.319 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.899 -11.034 0.791 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -10.520 -13.129 0.040 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -11.936 -13.949 0.707 1.00 1.77 H new ATOM 874 N VAL A 59 -7.778 -9.966 4.857 1.00 0.52 N ATOM 875 CA VAL A 59 -7.866 -8.923 5.960 1.00 0.54 C ATOM 876 C VAL A 59 -6.770 -7.818 5.708 1.00 0.52 C ATOM 877 O VAL A 59 -7.065 -6.635 5.809 1.00 0.55 O ATOM 878 CB VAL A 59 -7.703 -9.536 7.447 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.884 -8.503 8.598 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.705 -10.651 7.726 1.00 0.81 C ATOM 0 H VAL A 59 -7.550 -10.898 5.203 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.868 -8.496 5.919 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.676 -9.902 7.444 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.758 -9.003 9.558 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -7.139 -7.714 8.499 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.882 -8.069 8.544 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -8.555 -11.030 8.737 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.719 -10.262 7.631 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.558 -11.460 7.010 1.00 0.81 H new ATOM 890 N LEU A 60 -5.526 -8.238 5.343 1.00 0.49 N ATOM 891 CA LEU A 60 -4.447 -7.261 5.005 1.00 0.48 C ATOM 892 C LEU A 60 -4.530 -6.672 3.542 1.00 0.49 C ATOM 893 O LEU A 60 -3.751 -5.805 3.187 1.00 0.65 O ATOM 894 CB LEU A 60 -3.092 -7.928 5.236 1.00 0.52 C ATOM 895 CG LEU A 60 -1.827 -7.038 5.088 1.00 0.71 C ATOM 896 CD1 LEU A 60 -1.322 -6.553 6.435 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.704 -7.770 4.361 1.00 0.90 C ATOM 0 H LEU A 60 -5.249 -9.217 5.276 1.00 0.49 H new ATOM 0 HA LEU A 60 -4.581 -6.402 5.662 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -3.091 -8.352 6.240 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -3.002 -8.761 4.539 1.00 0.52 H new ATOM 0 HG LEU A 60 -2.127 -6.175 4.493 1.00 0.71 H new ATOM 0 HD11 LEU A 60 -0.437 -5.934 6.290 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -2.099 -5.966 6.925 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -1.067 -7.410 7.058 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.163 -7.115 4.277 1.00 0.90 H new ATOM 0 HD22 LEU A 60 -0.430 -8.664 4.921 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -1.041 -8.055 3.364 1.00 0.90 H new ATOM 909 N TYR A 61 -5.449 -7.182 2.725 1.00 0.44 N ATOM 910 CA TYR A 61 -5.693 -6.688 1.345 1.00 0.45 C ATOM 911 C TYR A 61 -7.187 -6.288 1.097 1.00 0.47 C ATOM 912 O TYR A 61 -7.625 -6.217 -0.050 1.00 0.52 O ATOM 913 CB TYR A 61 -5.222 -7.740 0.309 1.00 0.44 C ATOM 914 CG TYR A 61 -3.681 -7.991 0.237 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.732 -6.964 0.384 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.175 -9.278 0.026 1.00 0.76 C ATOM 917 CE1 TYR A 61 -1.371 -7.219 0.324 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.814 -9.529 -0.033 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.922 -8.499 0.118 1.00 0.72 C ATOM 920 OH TYR A 61 0.430 -8.750 0.058 1.00 0.88 O ATOM 0 H TYR A 61 -6.057 -7.956 2.991 1.00 0.44 H new ATOM 0 HA TYR A 61 -5.108 -5.777 1.222 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.714 -8.687 0.533 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.565 -7.428 -0.677 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -3.072 -5.952 0.548 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.865 -10.100 -0.094 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.664 -6.411 0.439 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.456 -10.535 -0.198 1.00 0.92 H new ATOM 0 HH TYR A 61 0.579 -9.707 -0.092 1.00 0.88 H new ATOM 930 N GLN A 62 -7.936 -5.996 2.189 1.00 0.50 N ATOM 931 CA GLN A 62 -9.406 -5.654 2.114 1.00 0.57 C ATOM 932 C GLN A 62 -9.891 -4.577 3.125 1.00 0.70 C ATOM 933 O GLN A 62 -10.763 -3.774 2.782 1.00 1.33 O ATOM 934 CB GLN A 62 -10.255 -6.939 2.346 1.00 0.57 C ATOM 935 CG GLN A 62 -11.787 -6.745 2.426 1.00 0.75 C ATOM 936 CD GLN A 62 -12.492 -7.932 3.064 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.188 -9.087 2.767 1.00 1.26 O ATOM 938 NE2 GLN A 62 -13.414 -7.651 3.978 1.00 1.02 N ATOM 0 H GLN A 62 -7.561 -5.987 3.137 1.00 0.50 H new ATOM 0 HA GLN A 62 -9.542 -5.233 1.118 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -10.041 -7.640 1.539 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.921 -7.407 3.272 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -12.006 -5.845 3.000 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -12.183 -6.588 1.423 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -13.637 -6.680 4.196 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -13.899 -8.406 4.462 1.00 1.02 H new ATOM 947 N THR A 63 -9.355 -4.582 4.364 1.00 0.58 N ATOM 948 CA THR A 63 -9.782 -3.625 5.479 1.00 0.62 C ATOM 949 C THR A 63 -9.390 -2.115 5.243 1.00 0.76 C ATOM 950 O THR A 63 -8.252 -1.815 4.877 1.00 1.28 O ATOM 951 CB THR A 63 -9.272 -4.088 6.908 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.850 -4.272 6.937 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.958 -5.382 7.402 1.00 0.60 C ATOM 0 H THR A 63 -8.620 -5.231 4.646 1.00 0.58 H new ATOM 0 HA THR A 63 -10.870 -3.676 5.450 1.00 0.62 H new ATOM 0 HB THR A 63 -9.544 -3.277 7.583 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.616 -5.092 6.453 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.568 -5.648 8.384 1.00 0.60 H new ATOM 0 HG22 THR A 63 -11.034 -5.220 7.470 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.757 -6.191 6.700 1.00 0.60 H new ATOM 961 N GLU A 64 -10.365 -1.191 5.479 1.00 0.57 N ATOM 962 CA GLU A 64 -10.169 0.278 5.256 1.00 0.60 C ATOM 963 C GLU A 64 -10.399 1.163 6.499 1.00 0.64 C ATOM 964 O GLU A 64 -11.271 0.904 7.337 1.00 0.69 O ATOM 965 CB GLU A 64 -11.113 0.811 4.150 1.00 0.67 C ATOM 966 CG GLU A 64 -12.520 0.193 4.135 1.00 0.84 C ATOM 967 CD GLU A 64 -13.439 0.892 3.155 1.00 1.07 C ATOM 968 OE1 GLU A 64 -13.220 0.760 1.932 1.00 1.53 O ATOM 969 OE2 GLU A 64 -14.385 1.566 3.610 1.00 1.50 O ATOM 0 H GLU A 64 -11.294 -1.434 5.823 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.119 0.352 4.972 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.209 1.890 4.266 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.646 0.635 3.181 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.449 -0.863 3.875 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.950 0.246 5.135 1.00 0.84 H new ATOM 1050 N ASP A 69 -9.207 14.435 5.110 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.721 14.794 3.743 1.00 0.75 C ATOM 1052 C ASP A 69 -7.236 15.198 3.782 1.00 0.69 C ATOM 1053 O ASP A 69 -6.845 16.053 4.588 1.00 1.33 O ATOM 1054 CB ASP A 69 -9.521 15.975 3.146 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.759 15.572 2.341 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.676 14.605 1.559 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -11.810 16.228 2.504 1.00 2.15 O ATOM 0 HA ASP A 69 -8.858 13.910 3.120 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -9.832 16.632 3.958 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -8.859 16.555 2.502 1.00 1.17 H new ATOM 1062 N SER A 70 -6.396 14.582 2.880 1.00 0.72 N ATOM 1063 CA SER A 70 -4.903 14.823 2.786 1.00 0.57 C ATOM 1064 C SER A 70 -4.171 14.217 4.001 1.00 0.53 C ATOM 1065 O SER A 70 -3.865 14.917 4.975 1.00 0.57 O ATOM 1066 CB SER A 70 -4.571 16.325 2.628 1.00 0.70 C ATOM 1067 OG SER A 70 -3.502 16.529 1.713 1.00 0.77 O ATOM 0 H SER A 70 -6.733 13.904 2.196 1.00 0.72 H new ATOM 0 HA SER A 70 -4.547 14.319 1.887 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.455 16.860 2.281 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.306 16.744 3.599 1.00 0.70 H new ATOM 0 HG SER A 70 -3.318 17.488 1.634 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.910 12.906 3.929 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.286 12.191 5.061 1.00 0.47 C ATOM 1075 C PHE A 71 -2.328 11.082 4.604 1.00 0.33 C ATOM 1076 O PHE A 71 -2.447 10.546 3.497 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.372 11.661 6.068 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.591 10.929 5.471 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.650 11.632 4.877 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.656 9.534 5.470 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.732 10.957 4.315 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.734 8.866 4.903 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.848 9.623 4.439 1.00 0.67 C ATOM 0 H PHE A 71 -4.115 12.323 3.117 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.671 12.915 5.595 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.882 10.985 6.768 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.738 12.509 6.647 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.626 12.712 4.855 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.855 8.965 5.918 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.485 11.511 3.774 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -6.728 7.790 4.815 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.776 9.131 4.189 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.347 10.766 5.465 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.366 9.747 5.120 1.00 0.41 C ATOM 1095 C GLY A 72 0.438 9.175 6.279 1.00 0.33 C ATOM 1096 O GLY A 72 0.099 9.329 7.460 1.00 0.47 O ATOM 0 H GLY A 72 -1.220 11.195 6.382 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.883 8.926 4.623 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.329 10.171 4.396 1.00 0.41 H new ATOM 1100 N TYR A 73 1.535 8.514 5.895 1.00 0.28 N ATOM 1101 CA TYR A 73 2.440 7.828 6.827 1.00 0.24 C ATOM 1102 C TYR A 73 3.907 8.325 6.740 1.00 0.21 C ATOM 1103 O TYR A 73 4.330 8.952 5.748 1.00 0.27 O ATOM 1104 CB TYR A 73 2.468 6.300 6.568 1.00 0.36 C ATOM 1105 CG TYR A 73 1.222 5.639 5.934 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.755 6.015 4.666 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.484 4.675 6.626 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.386 5.445 4.123 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.650 4.109 6.083 1.00 0.62 C ATOM 1110 CZ TYR A 73 -0.979 4.393 4.745 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.210 3.929 4.295 1.00 0.89 O ATOM 0 H TYR A 73 1.824 8.439 4.920 1.00 0.28 H new ATOM 0 HA TYR A 73 2.040 8.057 7.815 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.321 6.088 5.923 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.658 5.805 7.520 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.294 6.762 4.102 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.809 4.366 7.608 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.803 5.837 3.207 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.276 3.458 6.675 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.496 3.171 4.847 1.00 0.89 H new ATOM 1121 N ASP A 74 4.686 7.955 7.783 1.00 0.17 N ATOM 1122 CA ASP A 74 6.117 8.318 7.911 1.00 0.16 C ATOM 1123 C ASP A 74 7.025 7.070 8.060 1.00 0.15 C ATOM 1124 O ASP A 74 6.774 6.194 8.897 1.00 0.24 O ATOM 1125 CB ASP A 74 6.323 9.242 9.129 1.00 0.21 C ATOM 1126 CG ASP A 74 6.233 10.728 8.797 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.401 11.097 7.941 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.986 11.519 9.403 1.00 0.40 O ATOM 0 H ASP A 74 4.339 7.395 8.562 1.00 0.17 H new ATOM 0 HA ASP A 74 6.400 8.835 6.994 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.576 9.002 9.885 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.299 9.036 9.569 1.00 0.21 H new ATOM 1133 N ILE A 75 8.094 7.022 7.239 1.00 0.10 N ATOM 1134 CA ILE A 75 9.080 5.913 7.242 1.00 0.09 C ATOM 1135 C ILE A 75 10.513 6.491 7.494 1.00 0.08 C ATOM 1136 O ILE A 75 11.106 7.045 6.570 1.00 0.12 O ATOM 1137 CB ILE A 75 9.057 5.091 5.867 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.634 4.667 5.453 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.890 3.783 5.906 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.001 5.478 4.353 1.00 0.15 C ATOM 0 H ILE A 75 8.301 7.749 6.554 1.00 0.10 H new ATOM 0 HA ILE A 75 8.810 5.223 8.041 1.00 0.09 H new ATOM 0 HB ILE A 75 9.488 5.793 5.154 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.663 3.624 5.138 1.00 0.13 H new ATOM 0 HG13 ILE A 75 6.991 4.717 6.331 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.826 3.282 4.940 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.931 4.021 6.123 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.499 3.126 6.682 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.003 5.092 4.144 1.00 0.15 H new ATOM 0 HD12 ILE A 75 6.929 6.520 4.665 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.612 5.410 3.453 1.00 0.15 H new ATOM 1152 N PRO A 76 11.095 6.390 8.734 1.00 0.09 N ATOM 1153 CA PRO A 76 12.462 6.887 9.001 1.00 0.10 C ATOM 1154 C PRO A 76 13.603 5.886 8.635 1.00 0.09 C ATOM 1155 O PRO A 76 13.654 4.767 9.154 1.00 0.11 O ATOM 1156 CB PRO A 76 12.416 7.186 10.498 1.00 0.14 C ATOM 1157 CG PRO A 76 11.507 6.121 11.063 1.00 0.15 C ATOM 1158 CD PRO A 76 10.477 5.830 9.971 1.00 0.12 C ATOM 0 HA PRO A 76 12.708 7.747 8.379 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.410 7.139 10.944 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.027 8.185 10.692 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.069 5.223 11.320 1.00 0.15 H new ATOM 0 HG3 PRO A 76 11.022 6.465 11.976 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.289 4.761 9.874 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.520 6.304 10.189 1.00 0.12 H new ATOM 1166 N ILE A 77 14.500 6.323 7.731 1.00 0.09 N ATOM 1167 CA ILE A 77 15.642 5.499 7.257 1.00 0.10 C ATOM 1168 C ILE A 77 16.994 6.275 7.410 1.00 0.13 C ATOM 1169 O ILE A 77 17.035 7.505 7.544 1.00 0.19 O ATOM 1170 CB ILE A 77 15.460 5.019 5.744 1.00 0.12 C ATOM 1171 CG1 ILE A 77 13.969 4.866 5.359 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.155 3.641 5.447 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.397 5.891 4.408 1.00 0.19 C ATOM 0 H ILE A 77 14.460 7.250 7.307 1.00 0.09 H new ATOM 0 HA ILE A 77 15.665 4.609 7.886 1.00 0.10 H new ATOM 0 HB ILE A 77 15.933 5.803 5.153 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.833 3.880 4.915 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.379 4.887 6.275 1.00 0.11 H new ATOM 0 HG21 ILE A 77 15.995 3.370 4.403 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.224 3.724 5.641 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.728 2.872 6.091 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.346 5.668 4.222 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.485 6.884 4.848 1.00 0.19 H new ATOM 0 HD13 ILE A 77 13.946 5.861 3.467 1.00 0.19 H new ATOM 1185 N LYS A 78 18.085 5.503 7.372 1.00 0.15 N ATOM 1186 CA LYS A 78 19.464 6.016 7.478 1.00 0.20 C ATOM 1187 C LYS A 78 20.484 5.072 6.772 1.00 0.21 C ATOM 1188 O LYS A 78 21.680 5.103 7.085 1.00 0.25 O ATOM 1189 CB LYS A 78 19.862 6.229 8.969 1.00 0.27 C ATOM 1190 CG LYS A 78 19.479 5.064 9.911 1.00 0.87 C ATOM 1191 CD LYS A 78 19.916 5.317 11.372 1.00 1.32 C ATOM 1192 CE LYS A 78 19.534 4.161 12.311 1.00 1.91 C ATOM 1193 NZ LYS A 78 19.942 4.441 13.716 1.00 2.53 N ATOM 0 H LYS A 78 18.039 4.490 7.265 1.00 0.15 H new ATOM 0 HA LYS A 78 19.493 6.979 6.968 1.00 0.20 H new ATOM 0 HB2 LYS A 78 20.939 6.385 9.025 1.00 0.27 H new ATOM 0 HB3 LYS A 78 19.389 7.142 9.331 1.00 0.27 H new ATOM 0 HG2 LYS A 78 18.400 4.914 9.879 1.00 0.87 H new ATOM 0 HG3 LYS A 78 19.939 4.144 9.551 1.00 0.87 H new ATOM 0 HD2 LYS A 78 20.995 5.465 11.404 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.457 6.238 11.730 1.00 1.32 H new ATOM 0 HE2 LYS A 78 18.457 3.998 12.269 1.00 1.91 H new ATOM 0 HE3 LYS A 78 20.009 3.241 11.969 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 19.669 3.641 14.323 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 20.973 4.572 13.759 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 19.469 5.305 14.049 1.00 2.53 H new ATOM 1207 N GLU A 79 20.003 4.240 5.807 1.00 0.19 N ATOM 1208 CA GLU A 79 20.849 3.303 5.061 1.00 0.22 C ATOM 1209 C GLU A 79 20.609 3.438 3.543 1.00 0.20 C ATOM 1210 O GLU A 79 19.540 3.887 3.100 1.00 0.18 O ATOM 1211 CB GLU A 79 20.556 1.867 5.531 1.00 0.24 C ATOM 1212 CG GLU A 79 21.118 1.535 6.925 1.00 0.55 C ATOM 1213 CD GLU A 79 20.692 0.167 7.421 1.00 1.17 C ATOM 1214 OE1 GLU A 79 19.623 0.074 8.062 1.00 2.12 O ATOM 1215 OE2 GLU A 79 21.424 -0.812 7.168 1.00 1.03 O ATOM 0 H GLU A 79 19.020 4.210 5.535 1.00 0.19 H new ATOM 0 HA GLU A 79 21.896 3.537 5.254 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.477 1.712 5.540 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.973 1.167 4.807 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.207 1.582 6.893 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.787 2.293 7.635 1.00 0.55 H new ATOM 1222 N GLU A 80 21.603 3.027 2.744 1.00 0.26 N ATOM 1223 CA GLU A 80 21.510 3.146 1.281 1.00 0.25 C ATOM 1224 C GLU A 80 21.564 1.803 0.529 1.00 0.27 C ATOM 1225 O GLU A 80 22.235 0.846 0.935 1.00 0.32 O ATOM 1226 CB GLU A 80 22.630 4.066 0.767 1.00 0.27 C ATOM 1227 CG GLU A 80 22.522 5.547 1.191 1.00 0.28 C ATOM 1228 CD GLU A 80 23.631 5.957 2.143 1.00 0.36 C ATOM 1229 OE1 GLU A 80 23.505 5.681 3.355 1.00 0.42 O ATOM 1230 OE2 GLU A 80 24.626 6.553 1.678 1.00 0.40 O ATOM 0 H GLU A 80 22.472 2.613 3.081 1.00 0.26 H new ATOM 0 HA GLU A 80 20.526 3.568 1.076 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.586 3.675 1.116 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.644 4.018 -0.322 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.555 6.180 0.304 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.556 5.717 1.667 1.00 0.28 H new ATOM 1237 N GLY A 81 20.838 1.788 -0.593 1.00 0.22 N ATOM 1238 CA GLY A 81 20.751 0.620 -1.473 1.00 0.23 C ATOM 1239 C GLY A 81 19.523 0.681 -2.381 1.00 0.19 C ATOM 1240 O GLY A 81 19.231 1.749 -2.940 1.00 0.18 O ATOM 0 H GLY A 81 20.293 2.587 -0.917 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.652 0.558 -2.084 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.712 -0.287 -0.870 1.00 0.23 H new ATOM 1244 N GLU A 82 18.794 -0.453 -2.573 1.00 0.20 N ATOM 1245 CA GLU A 82 17.583 -0.404 -3.406 1.00 0.17 C ATOM 1246 C GLU A 82 16.334 -0.728 -2.573 1.00 0.18 C ATOM 1247 O GLU A 82 16.077 -1.876 -2.231 1.00 0.30 O ATOM 1248 CB GLU A 82 17.698 -1.354 -4.614 1.00 0.19 C ATOM 1249 CG GLU A 82 18.765 -0.973 -5.656 1.00 0.26 C ATOM 1250 CD GLU A 82 18.489 -1.584 -7.019 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.516 -1.159 -7.675 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.244 -2.493 -7.425 1.00 1.75 O ATOM 0 H GLU A 82 19.018 -1.367 -2.179 1.00 0.20 H new ATOM 0 HA GLU A 82 17.483 0.611 -3.789 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.916 -2.357 -4.246 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.729 -1.400 -5.111 1.00 0.19 H new ATOM 0 HG2 GLU A 82 18.806 0.112 -5.749 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.744 -1.300 -5.306 1.00 0.26 H new ATOM 1259 N TYR A 83 15.527 0.309 -2.277 1.00 0.08 N ATOM 1260 CA TYR A 83 14.308 0.145 -1.464 1.00 0.08 C ATOM 1261 C TYR A 83 13.071 0.070 -2.349 1.00 0.08 C ATOM 1262 O TYR A 83 12.844 0.924 -3.198 1.00 0.12 O ATOM 1263 CB TYR A 83 14.159 1.271 -0.426 1.00 0.10 C ATOM 1264 CG TYR A 83 15.212 1.235 0.689 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.521 1.673 0.474 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.893 0.762 1.963 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.459 1.639 1.485 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.830 0.728 2.972 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.139 1.171 2.700 1.00 0.16 C ATOM 1270 OH TYR A 83 18.045 1.146 3.730 1.00 0.21 O ATOM 0 H TYR A 83 15.697 1.266 -2.588 1.00 0.08 H new ATOM 0 HA TYR A 83 14.406 -0.795 -0.921 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.218 2.232 -0.937 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.167 1.209 0.023 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.803 2.044 -0.500 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.890 0.415 2.162 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.462 1.993 1.296 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.565 0.368 3.955 1.00 0.19 H new ATOM 0 HH TYR A 83 17.621 0.772 4.530 1.00 0.21 H new ATOM 1280 N VAL A 84 12.267 -0.968 -2.128 1.00 0.08 N ATOM 1281 CA VAL A 84 11.065 -1.215 -2.961 1.00 0.10 C ATOM 1282 C VAL A 84 9.777 -0.918 -2.167 1.00 0.10 C ATOM 1283 O VAL A 84 9.507 -1.513 -1.114 1.00 0.10 O ATOM 1284 CB VAL A 84 10.988 -2.691 -3.614 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.265 -2.695 -4.988 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.359 -3.364 -3.823 1.00 0.20 C ATOM 0 H VAL A 84 12.414 -1.654 -1.388 1.00 0.08 H new ATOM 0 HA VAL A 84 11.155 -0.524 -3.799 1.00 0.10 H new ATOM 0 HB VAL A 84 10.423 -3.259 -2.875 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.240 -3.711 -5.383 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.246 -2.329 -4.864 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.801 -2.048 -5.683 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.217 -4.350 -4.265 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.967 -2.752 -4.489 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.864 -3.466 -2.863 1.00 0.20 H new ATOM 1296 N LEU A 85 8.989 0.014 -2.728 1.00 0.12 N ATOM 1297 CA LEU A 85 7.713 0.428 -2.150 1.00 0.15 C ATOM 1298 C LEU A 85 6.547 -0.234 -2.922 1.00 0.16 C ATOM 1299 O LEU A 85 6.258 0.125 -4.070 1.00 0.21 O ATOM 1300 CB LEU A 85 7.592 1.965 -2.225 1.00 0.25 C ATOM 1301 CG LEU A 85 6.860 2.696 -1.058 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.556 4.001 -0.704 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.403 2.989 -1.408 1.00 0.61 C ATOM 0 H LEU A 85 9.224 0.498 -3.595 1.00 0.12 H new ATOM 0 HA LEU A 85 7.667 0.114 -1.107 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.599 2.377 -2.299 1.00 0.25 H new ATOM 0 HB3 LEU A 85 7.077 2.215 -3.152 1.00 0.25 H new ATOM 0 HG LEU A 85 6.891 2.026 -0.199 1.00 0.43 H new ATOM 0 HD11 LEU A 85 7.023 4.488 0.113 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.581 3.795 -0.396 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.564 4.657 -1.574 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.923 3.499 -0.572 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.362 3.625 -2.293 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.882 2.053 -1.609 1.00 0.61 H new ATOM 1315 N VAL A 86 5.913 -1.220 -2.282 1.00 0.17 N ATOM 1316 CA VAL A 86 4.777 -1.969 -2.890 1.00 0.21 C ATOM 1317 C VAL A 86 3.495 -1.800 -2.052 1.00 0.21 C ATOM 1318 O VAL A 86 3.485 -2.074 -0.848 1.00 0.27 O ATOM 1319 CB VAL A 86 5.024 -3.536 -3.157 1.00 0.25 C ATOM 1320 CG1 VAL A 86 5.238 -3.810 -4.653 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.208 -4.185 -2.375 1.00 0.32 C ATOM 0 H VAL A 86 6.157 -1.529 -1.341 1.00 0.17 H new ATOM 0 HA VAL A 86 4.672 -1.515 -3.875 1.00 0.21 H new ATOM 0 HB VAL A 86 4.112 -4.001 -2.781 1.00 0.25 H new ATOM 0 HG11 VAL A 86 5.403 -4.876 -4.808 1.00 0.44 H new ATOM 0 HG12 VAL A 86 4.356 -3.495 -5.210 1.00 0.44 H new ATOM 0 HG13 VAL A 86 6.107 -3.254 -5.004 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.279 -5.241 -2.634 1.00 0.32 H new ATOM 0 HG22 VAL A 86 7.138 -3.683 -2.641 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.035 -4.085 -1.304 1.00 0.32 H new ATOM 1331 N LEU A 87 2.417 -1.353 -2.711 1.00 0.20 N ATOM 1332 CA LEU A 87 1.130 -1.138 -2.007 1.00 0.22 C ATOM 1333 C LEU A 87 -0.074 -1.757 -2.732 1.00 0.22 C ATOM 1334 O LEU A 87 -0.143 -1.765 -3.971 1.00 0.26 O ATOM 1335 CB LEU A 87 0.842 0.383 -1.760 1.00 0.31 C ATOM 1336 CG LEU A 87 1.525 1.429 -2.698 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.826 1.548 -4.048 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.568 2.807 -2.039 1.00 0.88 C ATOM 0 H LEU A 87 2.401 -1.135 -3.707 1.00 0.20 H new ATOM 0 HA LEU A 87 1.251 -1.649 -1.052 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.236 0.532 -1.825 1.00 0.31 H new ATOM 0 HB3 LEU A 87 1.134 0.614 -0.736 1.00 0.31 H new ATOM 0 HG LEU A 87 2.539 1.066 -2.869 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.341 2.288 -4.660 1.00 1.25 H new ATOM 0 HD12 LEU A 87 0.844 0.582 -4.554 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -0.208 1.859 -3.896 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.048 3.517 -2.712 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.552 3.140 -1.825 1.00 0.88 H new ATOM 0 HD23 LEU A 87 2.134 2.748 -1.109 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.044 -2.265 -1.933 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.289 -2.834 -2.505 1.00 0.26 C ATOM 1352 C LYS A 88 -3.482 -1.878 -2.316 1.00 0.27 C ATOM 1353 O LYS A 88 -3.856 -1.537 -1.192 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.652 -4.208 -1.887 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.463 -5.164 -2.804 1.00 0.46 C ATOM 1356 CD LYS A 88 -2.576 -5.984 -3.785 1.00 1.53 C ATOM 1357 CE LYS A 88 -1.935 -7.236 -3.159 1.00 2.13 C ATOM 1358 NZ LYS A 88 -1.343 -8.122 -4.198 1.00 2.52 N ATOM 0 H LYS A 88 -0.992 -2.293 -0.915 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.090 -2.972 -3.568 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.730 -4.710 -1.595 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.224 -4.036 -0.975 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -4.035 -5.852 -2.182 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -4.182 -4.580 -3.378 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -3.183 -6.288 -4.638 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -1.786 -5.339 -4.169 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -1.162 -6.935 -2.452 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.687 -7.787 -2.594 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -1.010 -9.002 -3.755 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -2.063 -8.345 -4.915 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -0.542 -7.638 -4.651 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.084 -1.472 -3.446 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.262 -0.585 -3.441 1.00 0.29 C ATOM 1374 C PHE A 89 -6.531 -1.392 -3.781 1.00 0.31 C ATOM 1375 O PHE A 89 -6.547 -2.196 -4.719 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.110 0.549 -4.478 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.480 1.839 -3.958 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -5.149 2.602 -3.001 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.238 2.304 -4.421 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.610 3.780 -2.523 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.705 3.480 -3.934 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.387 4.215 -2.991 1.00 0.31 C ATOM 0 H PHE A 89 -3.774 -1.745 -4.379 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.345 -0.151 -2.445 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.507 0.180 -5.307 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.096 0.784 -4.880 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -6.105 2.266 -2.627 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.696 1.737 -5.164 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -5.144 4.359 -1.785 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.747 3.826 -4.295 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.964 5.135 -2.616 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.604 -1.162 -3.002 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.898 -1.885 -3.178 1.00 0.36 C ATOM 1394 C ALA A 90 -10.123 -0.933 -2.998 1.00 0.39 C ATOM 1395 O ALA A 90 -10.033 0.126 -2.326 1.00 0.37 O ATOM 1396 CB ALA A 90 -8.993 -3.105 -2.199 1.00 0.41 C ATOM 0 H ALA A 90 -7.610 -0.483 -2.241 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.924 -2.261 -4.201 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -9.944 -3.616 -2.346 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.175 -3.797 -2.399 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -8.926 -2.752 -1.170 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.268 -1.321 -3.625 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.537 -0.561 -3.556 1.00 0.53 C ATOM 1404 C GLU A 91 -13.661 -1.353 -2.822 1.00 0.63 C ATOM 1405 O GLU A 91 -13.508 -2.542 -2.509 1.00 1.23 O ATOM 1406 CB GLU A 91 -13.002 -0.163 -4.986 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.190 -1.341 -5.958 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.598 -0.887 -7.348 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.814 -0.771 -7.601 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -12.699 -0.649 -8.182 1.00 2.61 O ATOM 0 H GLU A 91 -11.332 -2.168 -4.190 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.345 0.340 -2.973 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -13.945 0.379 -4.908 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.272 0.527 -5.411 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -12.261 -1.907 -6.022 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.948 -2.017 -5.563 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.800 -0.678 -2.560 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.950 -1.316 -1.848 1.00 0.76 C ATOM 1419 C VAL A 92 -17.276 -1.241 -2.668 1.00 0.66 C ATOM 1420 O VAL A 92 -17.677 -2.239 -3.274 1.00 1.19 O ATOM 1421 CB VAL A 92 -16.192 -0.826 -0.330 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.426 -1.718 0.668 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -15.837 0.667 -0.032 1.00 2.00 C ATOM 0 H VAL A 92 -14.957 0.295 -2.823 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.641 -2.358 -1.767 1.00 0.76 H new ATOM 0 HB VAL A 92 -17.271 -0.916 -0.203 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.606 -1.366 1.684 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.771 -2.748 0.574 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.359 -1.672 0.452 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -16.038 0.887 1.016 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -14.781 0.839 -0.242 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -16.443 1.318 -0.662 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.942 -0.065 -2.682 1.00 0.76 N ATOM 1434 CA TYR A 93 -19.209 0.120 -3.428 1.00 0.80 C ATOM 1435 C TYR A 93 -19.166 1.378 -4.329 1.00 0.86 C ATOM 1436 O TYR A 93 -19.848 2.377 -4.071 1.00 1.46 O ATOM 1437 CB TYR A 93 -20.442 0.170 -2.469 1.00 1.23 C ATOM 1438 CG TYR A 93 -20.195 0.853 -1.108 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -20.200 2.248 -0.979 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -19.953 0.100 0.049 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -19.974 2.858 0.241 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -19.726 0.714 1.269 1.00 1.47 C ATOM 1443 CZ TYR A 93 -19.737 2.086 1.358 1.00 1.67 C ATOM 1444 OH TYR A 93 -19.507 2.689 2.571 1.00 2.27 O ATOM 0 H TYR A 93 -17.625 0.769 -2.187 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.322 -0.750 -4.075 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -21.254 0.691 -2.976 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -20.782 -0.850 -2.288 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.384 2.859 -1.850 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -19.943 -0.978 -0.012 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -19.983 3.935 0.318 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -19.541 0.116 2.149 1.00 1.47 H new ATOM 0 HH TYR A 93 -19.359 2.003 3.255 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.353 1.303 -5.400 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.191 2.406 -6.364 1.00 0.82 C ATOM 1456 C PHE A 94 -17.904 1.866 -7.773 1.00 0.76 C ATOM 1457 O PHE A 94 -16.820 1.330 -8.035 1.00 0.79 O ATOM 1458 CB PHE A 94 -17.039 3.343 -5.942 1.00 1.01 C ATOM 1459 CG PHE A 94 -17.438 4.459 -4.978 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -17.982 5.652 -5.456 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -17.264 4.320 -3.597 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -18.339 6.671 -4.587 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -17.623 5.339 -2.730 1.00 1.23 C ATOM 1464 CZ PHE A 94 -18.159 6.515 -3.225 1.00 1.37 C ATOM 0 H PHE A 94 -17.793 0.480 -5.620 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.126 2.966 -6.375 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.255 2.745 -5.478 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -16.609 3.792 -6.837 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -18.127 5.783 -6.518 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -16.844 3.407 -3.202 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -18.758 7.588 -4.974 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -17.484 5.216 -1.666 1.00 1.23 H new ATOM 0 HZ PHE A 94 -18.436 7.310 -2.548 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.894 2.013 -8.691 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.753 1.552 -10.093 1.00 0.73 C ATOM 1476 C ALA A 95 -18.633 2.759 -11.077 1.00 0.72 C ATOM 1477 O ALA A 95 -19.621 3.314 -11.601 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.899 0.574 -10.475 1.00 0.82 C ATOM 0 H ALA A 95 -19.794 2.446 -8.485 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.822 0.992 -10.179 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.772 0.251 -11.508 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.871 -0.295 -9.817 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.859 1.079 -10.368 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.372 3.190 -11.259 1.00 0.65 N ATOM 1485 CA GLN A 96 -16.998 4.317 -12.144 1.00 0.66 C ATOM 1486 C GLN A 96 -15.465 4.371 -12.332 1.00 0.58 C ATOM 1487 O GLN A 96 -14.698 3.915 -11.471 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.535 5.675 -11.606 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.212 5.970 -10.130 1.00 1.40 C ATOM 1490 CD GLN A 96 -18.027 7.123 -9.574 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -18.319 7.168 -8.379 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -18.403 8.064 -10.435 1.00 2.45 N ATOM 0 H GLN A 96 -16.572 2.763 -10.792 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.464 4.144 -13.114 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.125 6.478 -12.218 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -18.617 5.696 -11.736 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.400 5.076 -9.535 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -16.151 6.200 -10.033 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -18.141 7.990 -11.418 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -18.954 8.860 -10.113 1.00 2.45 H new ATOM 1501 N SER A 97 -15.018 4.966 -13.452 1.00 0.64 N ATOM 1502 CA SER A 97 -13.579 5.032 -13.773 1.00 0.62 C ATOM 1503 C SER A 97 -13.014 6.461 -13.876 1.00 0.81 C ATOM 1504 O SER A 97 -12.220 6.864 -13.023 1.00 1.66 O ATOM 1505 CB SER A 97 -13.312 4.250 -15.065 1.00 0.68 C ATOM 1506 OG SER A 97 -13.252 2.855 -14.817 1.00 0.73 O ATOM 0 H SER A 97 -15.625 5.404 -14.145 1.00 0.64 H new ATOM 0 HA SER A 97 -13.052 4.579 -12.933 1.00 0.62 H new ATOM 0 HB2 SER A 97 -14.099 4.460 -15.789 1.00 0.68 H new ATOM 0 HB3 SER A 97 -12.374 4.584 -15.508 1.00 0.68 H new ATOM 0 HG SER A 97 -12.723 2.421 -15.518 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.420 7.233 -14.913 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.928 8.619 -15.102 1.00 0.54 C ATOM 1514 C GLN A 98 -13.949 9.663 -14.558 1.00 0.56 C ATOM 1515 O GLN A 98 -14.577 10.416 -15.308 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.628 8.862 -16.603 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.749 10.094 -16.913 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.281 9.876 -16.587 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.511 9.402 -17.423 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.885 10.224 -15.367 1.00 1.60 N ATOM 0 H GLN A 98 -14.081 6.923 -15.625 1.00 0.55 H new ATOM 0 HA GLN A 98 -12.008 8.744 -14.531 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -12.137 7.976 -17.006 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -13.575 8.970 -17.132 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.847 10.346 -17.969 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -12.118 10.948 -16.346 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -10.556 10.613 -14.705 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -8.910 10.102 -15.093 1.00 1.60 H new ATOM 1529 N GLN A 99 -14.078 9.660 -13.223 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.982 10.540 -12.455 1.00 0.58 C ATOM 1531 C GLN A 99 -14.428 10.722 -11.032 1.00 0.57 C ATOM 1532 O GLN A 99 -14.392 11.840 -10.515 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.412 9.957 -12.379 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.293 10.235 -13.606 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.619 9.499 -13.542 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -19.605 10.018 -13.018 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.649 8.284 -14.077 1.00 2.02 N ATOM 0 H GLN A 99 -13.542 9.028 -12.627 1.00 0.53 H new ATOM 0 HA GLN A 99 -15.035 11.501 -12.966 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.341 8.878 -12.238 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.907 10.362 -11.496 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -17.478 11.306 -13.682 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -16.759 9.939 -14.509 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -17.808 7.893 -14.501 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -19.513 7.742 -14.064 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.998 9.593 -10.404 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.392 9.606 -9.063 1.00 0.55 C ATOM 1548 C LYS A 100 -11.914 9.188 -9.176 1.00 0.48 C ATOM 1549 O LYS A 100 -11.560 8.010 -9.044 1.00 0.49 O ATOM 1550 CB LYS A 100 -14.158 8.671 -8.098 1.00 0.64 C ATOM 1551 CG LYS A 100 -15.240 9.362 -7.226 1.00 1.11 C ATOM 1552 CD LYS A 100 -16.399 9.955 -8.060 1.00 1.52 C ATOM 1553 CE LYS A 100 -17.473 10.620 -7.185 1.00 2.14 C ATOM 1554 NZ LYS A 100 -18.584 11.177 -8.005 1.00 2.76 N ATOM 0 H LYS A 100 -14.065 8.663 -10.817 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.452 10.614 -8.652 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -14.634 7.884 -8.682 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -13.438 8.187 -7.438 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.643 8.639 -6.516 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -14.776 10.157 -6.643 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -16.000 10.689 -8.760 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -16.857 9.164 -8.654 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.871 9.890 -6.480 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.020 11.418 -6.596 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -19.289 11.618 -7.380 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -18.207 11.891 -8.660 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -19.032 10.412 -8.548 1.00 2.76 H new ATOM 1568 N VAL A 101 -11.068 10.197 -9.436 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.603 10.012 -9.630 1.00 0.40 C ATOM 1570 C VAL A 101 -8.789 10.604 -8.447 1.00 0.41 C ATOM 1571 O VAL A 101 -8.993 11.751 -8.033 1.00 0.47 O ATOM 1572 CB VAL A 101 -9.033 10.546 -11.032 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.870 9.390 -12.037 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.861 11.665 -11.728 1.00 0.68 C ATOM 0 H VAL A 101 -11.370 11.168 -9.520 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.468 8.931 -9.654 1.00 0.40 H new ATOM 0 HB VAL A 101 -8.077 10.991 -10.756 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.482 9.779 -12.979 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.175 8.653 -11.635 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.838 8.919 -12.210 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.379 11.945 -12.665 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.867 11.299 -11.932 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.917 12.536 -11.075 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.850 9.785 -7.939 1.00 0.39 N ATOM 1585 CA PHE A 102 -7.017 10.125 -6.754 1.00 0.40 C ATOM 1586 C PHE A 102 -5.557 10.542 -7.077 1.00 0.38 C ATOM 1587 O PHE A 102 -5.066 10.356 -8.193 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.953 8.882 -5.850 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.282 8.273 -5.353 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.514 8.945 -5.426 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.282 6.987 -4.801 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.680 8.352 -4.970 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -9.450 6.402 -4.342 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.647 7.083 -4.427 1.00 0.69 C ATOM 0 H PHE A 102 -7.642 8.867 -8.333 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.491 10.988 -6.286 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.412 8.105 -6.390 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.356 9.137 -4.975 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -9.552 9.940 -5.844 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -7.353 6.440 -4.732 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.617 8.884 -5.039 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -9.424 5.410 -3.916 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.557 6.624 -4.069 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.864 11.117 -6.058 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.442 11.527 -6.207 1.00 0.34 C ATOM 1606 C ASP A 103 -2.546 10.833 -5.164 1.00 0.32 C ATOM 1607 O ASP A 103 -2.896 10.745 -3.982 1.00 0.34 O ATOM 1608 CB ASP A 103 -3.242 13.055 -6.132 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.668 13.811 -7.392 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.796 13.575 -7.872 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.867 14.624 -7.897 1.00 1.33 O ATOM 0 H ASP A 103 -5.260 11.305 -5.137 1.00 0.36 H new ATOM 0 HA ASP A 103 -3.146 11.207 -7.206 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.806 13.442 -5.283 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -2.190 13.262 -5.937 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.367 10.362 -5.619 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.416 9.604 -4.765 1.00 0.28 C ATOM 1618 C VAL A 104 1.067 10.126 -4.960 1.00 0.26 C ATOM 1619 O VAL A 104 1.580 10.188 -6.102 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.657 8.014 -5.037 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.577 7.082 -4.961 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.689 7.438 -4.061 1.00 0.48 C ATOM 0 H VAL A 104 -1.045 10.492 -6.578 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.598 9.770 -3.703 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.988 8.018 -6.076 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.271 6.056 -5.162 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.314 7.393 -5.702 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.017 7.141 -3.965 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.830 6.377 -4.265 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.334 7.567 -3.038 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.638 7.960 -4.184 1.00 0.48 H new ATOM 1632 N ARG A 105 1.742 10.420 -3.809 1.00 0.26 N ATOM 1633 CA ARG A 105 3.145 10.927 -3.799 1.00 0.26 C ATOM 1634 C ARG A 105 4.082 10.225 -2.775 1.00 0.23 C ATOM 1635 O ARG A 105 3.680 9.886 -1.647 1.00 0.26 O ATOM 1636 CB ARG A 105 3.204 12.460 -3.540 1.00 0.33 C ATOM 1637 CG ARG A 105 2.004 13.070 -2.784 1.00 0.53 C ATOM 1638 CD ARG A 105 2.210 14.569 -2.491 1.00 0.51 C ATOM 1639 NE ARG A 105 1.077 15.156 -1.786 1.00 0.92 N ATOM 1640 CZ ARG A 105 1.023 16.433 -1.416 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.037 17.247 -1.681 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.043 16.896 -0.780 1.00 1.69 N ATOM 0 H ARG A 105 1.336 10.314 -2.879 1.00 0.26 H new ATOM 0 HA ARG A 105 3.511 10.690 -4.798 1.00 0.26 H new ATOM 0 HB2 ARG A 105 4.111 12.678 -2.976 1.00 0.33 H new ATOM 0 HB3 ARG A 105 3.297 12.966 -4.501 1.00 0.33 H new ATOM 0 HG2 ARG A 105 1.098 12.937 -3.374 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.855 12.534 -1.847 1.00 0.53 H new ATOM 0 HD2 ARG A 105 3.113 14.700 -1.895 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.367 15.102 -3.429 1.00 0.51 H new ATOM 0 HE ARG A 105 0.283 14.555 -1.564 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.860 16.894 -2.169 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.993 18.226 -1.396 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -0.824 16.273 -0.573 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.083 17.875 -0.497 1.00 1.69 H new ATOM 1656 N VAL A 106 5.374 10.073 -3.207 1.00 0.23 N ATOM 1657 CA VAL A 106 6.473 9.431 -2.404 1.00 0.23 C ATOM 1658 C VAL A 106 7.634 10.436 -2.045 1.00 0.22 C ATOM 1659 O VAL A 106 8.437 10.818 -2.902 1.00 0.23 O ATOM 1660 CB VAL A 106 7.065 8.075 -3.052 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.082 6.897 -2.910 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.480 8.175 -4.549 1.00 0.60 C ATOM 0 H VAL A 106 5.685 10.393 -4.124 1.00 0.23 H new ATOM 0 HA VAL A 106 5.984 9.136 -1.476 1.00 0.23 H new ATOM 0 HB VAL A 106 7.974 7.904 -2.475 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.517 6.004 -3.358 1.00 0.57 H new ATOM 0 HG12 VAL A 106 5.884 6.713 -1.854 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.148 7.139 -3.417 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.864 7.212 -4.885 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.613 8.450 -5.149 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.255 8.934 -4.662 1.00 0.60 H new ATOM 1672 N ASN A 107 7.685 10.853 -0.739 1.00 0.23 N ATOM 1673 CA ASN A 107 8.675 11.842 -0.131 1.00 0.23 C ATOM 1674 C ASN A 107 8.597 13.281 -0.727 1.00 0.24 C ATOM 1675 O ASN A 107 9.579 14.036 -0.717 1.00 0.25 O ATOM 1676 CB ASN A 107 10.124 11.323 -0.207 1.00 0.23 C ATOM 1677 CG ASN A 107 10.937 11.596 1.051 1.00 0.27 C ATOM 1678 OD1 ASN A 107 10.391 11.844 2.121 1.00 1.05 O ATOM 1679 ND2 ASN A 107 12.245 11.599 0.893 1.00 1.12 N ATOM 0 H ASN A 107 7.021 10.506 -0.047 1.00 0.23 H new ATOM 0 HA ASN A 107 8.371 11.920 0.913 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.107 10.249 -0.392 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.622 11.786 -1.059 1.00 0.23 H new ATOM 0 HD21 ASN A 107 12.854 11.815 1.683 1.00 1.12 H new ATOM 0 HD22 ASN A 107 12.649 11.386 -0.019 1.00 1.12 H new ATOM 1686 N GLY A 108 7.416 13.632 -1.220 1.00 0.25 N ATOM 1687 CA GLY A 108 7.206 14.916 -1.848 1.00 0.29 C ATOM 1688 C GLY A 108 7.039 14.839 -3.386 1.00 0.29 C ATOM 1689 O GLY A 108 6.496 15.758 -4.004 1.00 0.32 O ATOM 0 H GLY A 108 6.588 13.036 -1.193 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.318 15.380 -1.418 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.049 15.566 -1.615 1.00 0.29 H new ATOM 1693 N HIS A 109 7.526 13.714 -3.986 1.00 0.27 N ATOM 1694 CA HIS A 109 7.492 13.431 -5.425 1.00 0.28 C ATOM 1695 C HIS A 109 6.167 12.798 -5.911 1.00 0.30 C ATOM 1696 O HIS A 109 5.660 11.887 -5.280 1.00 0.57 O ATOM 1697 CB HIS A 109 8.600 12.412 -5.670 1.00 0.29 C ATOM 1698 CG HIS A 109 9.997 12.934 -5.489 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.698 13.569 -6.490 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.827 12.892 -4.412 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.897 13.894 -6.045 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.002 13.497 -4.788 1.00 0.36 N ATOM 0 H HIS A 109 7.964 12.964 -3.451 1.00 0.27 H new ATOM 0 HA HIS A 109 7.606 14.372 -5.963 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.453 11.569 -4.994 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.501 12.028 -6.685 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.346 13.758 -7.428 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.605 12.465 -3.445 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.664 14.400 -6.612 1.00 0.46 H new ATOM 1711 N THR A 110 5.631 13.241 -7.067 1.00 0.31 N ATOM 1712 CA THR A 110 4.365 12.650 -7.599 1.00 0.32 C ATOM 1713 C THR A 110 4.624 11.543 -8.635 1.00 0.35 C ATOM 1714 O THR A 110 5.369 11.723 -9.606 1.00 0.47 O ATOM 1715 CB THR A 110 3.340 13.666 -8.209 1.00 0.43 C ATOM 1716 OG1 THR A 110 3.949 14.929 -8.539 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.138 13.900 -7.272 1.00 0.47 C ATOM 0 H THR A 110 6.032 13.982 -7.642 1.00 0.31 H new ATOM 0 HA THR A 110 3.906 12.238 -6.700 1.00 0.32 H new ATOM 0 HB THR A 110 2.983 13.209 -9.132 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.273 15.529 -8.917 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.451 14.610 -7.732 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.622 12.956 -7.100 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.490 14.300 -6.321 1.00 0.47 H new ATOM 1725 N VAL A 111 3.968 10.401 -8.399 1.00 0.29 N ATOM 1726 CA VAL A 111 4.115 9.204 -9.263 1.00 0.35 C ATOM 1727 C VAL A 111 2.781 8.760 -9.927 1.00 0.35 C ATOM 1728 O VAL A 111 2.742 8.580 -11.146 1.00 0.39 O ATOM 1729 CB VAL A 111 4.835 7.952 -8.564 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.369 8.041 -8.714 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.487 7.720 -7.059 1.00 1.00 C ATOM 0 H VAL A 111 3.326 10.272 -7.617 1.00 0.29 H new ATOM 0 HA VAL A 111 4.790 9.548 -10.047 1.00 0.35 H new ATOM 0 HB VAL A 111 4.433 7.093 -9.101 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.832 7.180 -8.231 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.631 8.049 -9.772 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.728 8.957 -8.245 1.00 1.06 H new ATOM 0 HG21 VAL A 111 5.029 6.849 -6.690 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.774 8.598 -6.480 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.415 7.551 -6.955 1.00 1.00 H new ATOM 1741 N VAL A 112 1.693 8.588 -9.129 1.00 0.33 N ATOM 1742 CA VAL A 112 0.383 8.165 -9.706 1.00 0.35 C ATOM 1743 C VAL A 112 -0.686 9.236 -9.368 1.00 0.34 C ATOM 1744 O VAL A 112 -1.376 9.138 -8.350 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.149 6.686 -9.285 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.807 5.965 -10.488 1.00 0.44 C ATOM 1747 CG2 VAL A 112 0.926 5.722 -8.717 1.00 0.40 C ATOM 0 H VAL A 112 1.691 8.729 -8.119 1.00 0.33 H new ATOM 0 HA VAL A 112 0.556 8.084 -10.779 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.859 6.898 -8.486 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.153 4.979 -10.177 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.654 6.551 -10.844 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -0.078 5.857 -11.291 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.464 4.766 -8.470 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.705 5.566 -9.463 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.366 6.156 -7.819 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.820 10.252 -10.263 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.820 11.320 -10.084 1.00 0.38 C ATOM 1759 C LYS A 113 -2.947 11.245 -11.118 1.00 0.43 C ATOM 1760 O LYS A 113 -3.073 12.043 -12.054 1.00 0.70 O ATOM 1761 CB LYS A 113 -1.189 12.711 -10.074 1.00 0.42 C ATOM 1762 CG LYS A 113 -0.347 13.053 -11.326 1.00 1.12 C ATOM 1763 CD LYS A 113 0.460 14.343 -11.132 1.00 1.27 C ATOM 1764 CE LYS A 113 -0.421 15.586 -10.934 1.00 1.50 C ATOM 1765 NZ LYS A 113 0.397 16.825 -10.822 1.00 2.30 N ATOM 0 H LYS A 113 -0.251 10.346 -11.104 1.00 0.36 H new ATOM 0 HA LYS A 113 -2.262 11.150 -9.102 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.981 13.453 -9.973 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.555 12.800 -9.192 1.00 0.42 H new ATOM 0 HG2 LYS A 113 0.332 12.229 -11.544 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -1.005 13.161 -12.188 1.00 1.12 H new ATOM 0 HD2 LYS A 113 1.114 14.228 -10.267 1.00 1.27 H new ATOM 0 HD3 LYS A 113 1.102 14.496 -11.999 1.00 1.27 H new ATOM 0 HE2 LYS A 113 -1.112 15.680 -11.772 1.00 1.50 H new ATOM 0 HE3 LYS A 113 -1.025 15.465 -10.035 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 -0.230 17.644 -10.689 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 1.039 16.745 -10.008 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 0.954 16.953 -11.691 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.771 10.272 -10.816 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.998 9.828 -11.532 1.00 0.42 C ATOM 1781 C ASP A 114 -5.216 8.323 -11.233 1.00 0.38 C ATOM 1782 O ASP A 114 -5.110 7.470 -12.121 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.096 10.159 -13.101 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.978 9.629 -14.045 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.097 8.480 -14.523 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -3.007 10.374 -14.298 1.00 2.09 O ATOM 0 H ASP A 114 -3.606 9.700 -9.988 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.811 10.437 -11.137 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -6.047 9.769 -13.463 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.134 11.243 -13.209 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.532 7.999 -9.954 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.738 6.605 -9.555 1.00 0.36 C ATOM 1793 C LEU A 115 -7.211 6.192 -9.580 1.00 0.38 C ATOM 1794 O LEU A 115 -8.008 6.541 -8.700 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.118 6.267 -8.183 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.056 5.116 -8.157 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.303 5.095 -6.855 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.644 3.725 -8.407 1.00 1.06 C ATOM 0 H LEU A 115 -5.646 8.678 -9.202 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.209 6.023 -10.310 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.652 7.170 -7.788 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.925 6.001 -7.501 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.380 5.342 -8.982 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.574 4.285 -6.869 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.787 6.045 -6.718 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -4.002 4.940 -6.033 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.847 2.982 -8.374 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.383 3.499 -7.639 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.121 3.702 -9.387 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.532 5.477 -10.664 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.854 4.883 -10.905 1.00 0.43 C ATOM 1812 C ASP A 116 -8.707 3.345 -10.792 1.00 0.42 C ATOM 1813 O ASP A 116 -8.257 2.678 -11.733 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.500 5.320 -12.287 1.00 0.46 C ATOM 1815 CG ASP A 116 -8.550 5.474 -13.500 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -7.875 4.486 -13.855 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -8.490 6.583 -14.073 1.00 1.83 O ATOM 0 H ASP A 116 -6.867 5.291 -11.415 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.551 5.254 -10.153 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -10.264 4.588 -12.548 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -10.009 6.272 -12.135 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.102 2.790 -9.613 1.00 0.42 N ATOM 1823 CA ILE A 117 -8.970 1.324 -9.293 1.00 0.42 C ATOM 1824 C ILE A 117 -9.917 0.385 -10.153 1.00 0.44 C ATOM 1825 O ILE A 117 -9.605 -0.798 -10.340 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.161 1.027 -7.735 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.918 2.293 -6.853 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.221 -0.115 -7.238 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -10.169 2.882 -6.201 1.00 0.68 C ATOM 0 H ILE A 117 -9.519 3.334 -8.857 1.00 0.42 H new ATOM 0 HA ILE A 117 -7.947 1.075 -9.574 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.199 0.714 -7.626 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -8.205 2.038 -6.069 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -8.453 3.062 -7.470 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.384 -0.283 -6.174 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.439 -1.031 -7.788 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.182 0.170 -7.405 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.894 3.756 -5.611 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.879 3.175 -6.975 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.627 2.135 -5.552 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.026 0.953 -10.711 1.00 0.48 N ATOM 1842 CA PHE A 118 -11.990 0.220 -11.577 1.00 0.51 C ATOM 1843 C PHE A 118 -11.438 0.019 -13.033 1.00 0.53 C ATOM 1844 O PHE A 118 -11.557 -1.071 -13.594 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.333 0.987 -11.603 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.511 0.204 -12.185 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.218 -0.707 -11.401 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -14.907 0.376 -13.514 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.281 -1.422 -11.925 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -15.969 -0.336 -14.039 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.658 -1.237 -13.245 1.00 0.77 C ATOM 0 H PHE A 118 -11.274 1.932 -10.571 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.141 -0.775 -11.158 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.583 1.288 -10.585 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.202 1.901 -12.182 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.932 -0.857 -10.370 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.375 1.076 -14.141 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.817 -2.125 -11.304 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.261 -0.190 -15.068 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.488 -1.794 -13.654 1.00 0.77 H new ATOM 1861 N ASP A 119 -10.812 1.088 -13.613 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.175 1.058 -14.972 1.00 0.54 C ATOM 1863 C ASP A 119 -8.812 0.282 -15.018 1.00 0.53 C ATOM 1864 O ASP A 119 -8.441 -0.247 -16.068 1.00 0.57 O ATOM 1865 CB ASP A 119 -9.949 2.496 -15.475 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.471 2.740 -16.895 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.681 2.547 -17.128 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -9.660 3.119 -17.767 1.00 0.91 O ATOM 0 H ASP A 119 -10.734 1.995 -13.153 1.00 0.52 H new ATOM 0 HA ASP A 119 -10.869 0.519 -15.617 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -10.438 3.191 -14.793 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -8.882 2.718 -15.446 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.084 0.231 -13.864 1.00 0.49 N ATOM 1874 CA ARG A 120 -6.780 -0.475 -13.750 1.00 0.48 C ATOM 1875 C ARG A 120 -6.910 -2.015 -13.565 1.00 0.50 C ATOM 1876 O ARG A 120 -6.297 -2.769 -14.326 1.00 0.54 O ATOM 1877 CB ARG A 120 -5.960 0.112 -12.583 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.526 1.591 -12.759 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.273 1.761 -13.641 1.00 0.52 C ATOM 1880 NE ARG A 120 -3.908 3.168 -13.788 1.00 1.23 N ATOM 1881 CZ ARG A 120 -2.827 3.587 -14.441 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.003 2.711 -15.003 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.568 4.885 -14.531 1.00 2.43 N ATOM 0 H ARG A 120 -8.385 0.675 -12.996 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.270 -0.316 -14.700 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.548 0.029 -11.669 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.067 -0.498 -12.444 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.350 2.154 -13.199 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.332 2.024 -11.778 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.440 1.212 -13.201 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.457 1.327 -14.624 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.517 3.869 -13.366 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.197 1.712 -14.935 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.176 3.037 -15.503 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.198 5.562 -14.100 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -1.739 5.206 -15.032 1.00 2.43 H new ATOM 1897 N VAL A 121 -7.700 -2.482 -12.562 1.00 0.48 N ATOM 1898 CA VAL A 121 -7.884 -3.938 -12.337 1.00 0.51 C ATOM 1899 C VAL A 121 -9.282 -4.509 -12.874 1.00 0.56 C ATOM 1900 O VAL A 121 -9.320 -5.638 -13.374 1.00 0.62 O ATOM 1901 CB VAL A 121 -7.494 -4.325 -10.811 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -8.554 -3.991 -9.717 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -7.043 -5.799 -10.674 1.00 0.93 C ATOM 0 H VAL A 121 -8.209 -1.885 -11.910 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.177 -4.475 -12.969 1.00 0.51 H new ATOM 0 HB VAL A 121 -6.655 -3.658 -10.610 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -8.178 -4.296 -8.741 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -8.746 -2.918 -9.712 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -9.480 -4.525 -9.932 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -6.793 -6.008 -9.634 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -7.851 -6.458 -10.992 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -6.167 -5.971 -11.299 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.386 -3.730 -12.770 1.00 0.57 N ATOM 1914 CA GLY A 122 -11.698 -4.199 -13.237 1.00 0.63 C ATOM 1915 C GLY A 122 -12.809 -3.986 -12.211 1.00 0.66 C ATOM 1916 O GLY A 122 -13.070 -2.855 -11.797 1.00 0.85 O ATOM 0 H GLY A 122 -10.388 -2.791 -12.373 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -11.957 -3.677 -14.158 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.633 -5.260 -13.479 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.469 -5.086 -11.798 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.551 -5.023 -10.792 1.00 0.87 C ATOM 1922 C HIS A 123 -14.131 -5.734 -9.490 1.00 0.73 C ATOM 1923 O HIS A 123 -14.038 -6.965 -9.433 1.00 1.34 O ATOM 1924 CB HIS A 123 -15.884 -5.606 -11.350 1.00 1.38 C ATOM 1925 CG HIS A 123 -15.783 -6.969 -11.997 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -16.233 -8.124 -11.390 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -15.299 -7.348 -13.206 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -16.030 -9.152 -12.196 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -15.465 -8.708 -13.303 1.00 3.01 N ATOM 0 H HIS A 123 -13.274 -6.026 -12.143 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.729 -3.973 -10.560 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -16.604 -5.664 -10.534 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -16.287 -4.906 -12.081 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -14.864 -6.701 -13.953 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -16.283 -10.180 -11.985 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -15.195 -9.282 -14.102 1.00 3.01 H new ATOM 1938 N SER A 124 -13.865 -4.904 -8.438 1.00 0.86 N ATOM 1939 CA SER A 124 -13.398 -5.340 -7.076 1.00 0.70 C ATOM 1940 C SER A 124 -11.907 -5.810 -7.100 1.00 0.99 C ATOM 1941 O SER A 124 -11.035 -5.018 -7.468 1.00 2.08 O ATOM 1942 CB SER A 124 -14.339 -6.402 -6.444 1.00 0.73 C ATOM 1943 OG SER A 124 -15.598 -5.842 -6.100 1.00 1.20 O ATOM 0 H SER A 124 -13.970 -3.892 -8.510 1.00 0.86 H new ATOM 0 HA SER A 124 -13.445 -4.465 -6.428 1.00 0.70 H new ATOM 0 HB2 SER A 124 -14.484 -7.224 -7.145 1.00 0.73 H new ATOM 0 HB3 SER A 124 -13.870 -6.821 -5.554 1.00 0.73 H new ATOM 0 HG SER A 124 -16.168 -6.535 -5.706 1.00 1.20 H new ATOM 1949 N THR A 125 -11.626 -7.098 -6.697 1.00 0.56 N ATOM 1950 CA THR A 125 -10.248 -7.774 -6.705 1.00 0.51 C ATOM 1951 C THR A 125 -9.071 -6.980 -5.997 1.00 0.48 C ATOM 1952 O THR A 125 -9.313 -6.041 -5.228 1.00 0.51 O ATOM 1953 CB THR A 125 -9.813 -8.240 -8.172 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.932 -7.188 -9.144 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.615 -9.459 -8.681 1.00 0.62 C ATOM 0 H THR A 125 -12.357 -7.719 -6.348 1.00 0.56 H new ATOM 0 HA THR A 125 -10.405 -8.651 -6.076 1.00 0.51 H new ATOM 0 HB THR A 125 -8.765 -8.521 -8.066 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.654 -7.521 -10.023 1.00 0.62 H new ATOM 0 HG21 THR A 125 -10.274 -9.727 -9.681 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.462 -10.302 -8.007 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.675 -9.209 -8.714 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.794 -7.401 -6.239 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.602 -6.741 -5.648 1.00 0.43 C ATOM 1965 C ALA A 126 -5.757 -5.942 -6.698 1.00 0.38 C ATOM 1966 O ALA A 126 -5.375 -6.469 -7.757 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.714 -7.795 -4.936 1.00 0.46 C ATOM 0 H ALA A 126 -7.570 -8.194 -6.840 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.969 -6.012 -4.925 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.842 -7.304 -4.505 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -6.287 -8.278 -4.144 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -5.389 -8.544 -5.658 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.491 -4.644 -6.392 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.650 -3.755 -7.244 1.00 0.32 C ATOM 1975 C HIS A 127 -3.259 -3.566 -6.581 1.00 0.31 C ATOM 1976 O HIS A 127 -3.163 -3.416 -5.368 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.326 -2.374 -7.455 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.618 -1.449 -8.436 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -3.955 -1.895 -9.566 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.433 -0.100 -8.418 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.396 -0.867 -10.182 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.674 0.226 -9.509 1.00 0.38 N ATOM 0 H HIS A 127 -5.850 -4.186 -5.554 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.533 -4.225 -8.220 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.346 -2.536 -7.804 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.396 -1.870 -6.491 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.815 0.587 -7.678 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -2.809 -0.918 -11.087 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.372 1.168 -9.760 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.191 -3.556 -7.384 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.828 -3.427 -6.844 1.00 0.33 C ATOM 1993 C ASP A 128 0.099 -2.607 -7.762 1.00 0.30 C ATOM 1994 O ASP A 128 0.223 -2.883 -8.962 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.232 -4.834 -6.609 1.00 0.45 C ATOM 1996 CG ASP A 128 0.578 -4.973 -5.315 1.00 1.70 C ATOM 1997 OD1 ASP A 128 1.231 -3.988 -4.910 1.00 2.50 O ATOM 1998 OD2 ASP A 128 0.541 -6.062 -4.704 1.00 2.10 O ATOM 0 H ASP A 128 -2.239 -3.635 -8.400 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.899 -2.885 -5.901 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -1.044 -5.561 -6.594 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.409 -5.089 -7.453 1.00 0.45 H new ATOM 2003 N GLU A 129 0.756 -1.603 -7.156 1.00 0.25 N ATOM 2004 CA GLU A 129 1.727 -0.759 -7.869 1.00 0.30 C ATOM 2005 C GLU A 129 3.151 -0.922 -7.285 1.00 0.27 C ATOM 2006 O GLU A 129 3.354 -0.958 -6.047 1.00 0.25 O ATOM 2007 CB GLU A 129 1.301 0.724 -7.858 1.00 0.43 C ATOM 2008 CG GLU A 129 0.050 1.042 -8.704 1.00 0.91 C ATOM 2009 CD GLU A 129 0.326 1.018 -10.200 1.00 0.76 C ATOM 2010 OE1 GLU A 129 0.823 2.035 -10.729 1.00 1.12 O ATOM 2011 OE2 GLU A 129 0.045 -0.018 -10.840 1.00 1.56 O ATOM 0 H GLU A 129 0.631 -1.357 -6.174 1.00 0.25 H new ATOM 0 HA GLU A 129 1.746 -1.095 -8.906 1.00 0.30 H new ATOM 0 HB2 GLU A 129 1.113 1.026 -6.828 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.132 1.329 -8.221 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.733 0.319 -8.472 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.331 2.025 -8.425 1.00 0.91 H new ATOM 2018 N ILE A 130 4.117 -1.018 -8.226 1.00 0.28 N ATOM 2019 CA ILE A 130 5.558 -1.215 -7.941 1.00 0.28 C ATOM 2020 C ILE A 130 6.365 0.081 -8.255 1.00 0.29 C ATOM 2021 O ILE A 130 6.404 0.548 -9.400 1.00 0.39 O ATOM 2022 CB ILE A 130 6.168 -2.433 -8.779 1.00 0.31 C ATOM 2023 CG1 ILE A 130 5.081 -3.474 -9.201 1.00 0.37 C ATOM 2024 CG2 ILE A 130 7.304 -3.181 -8.007 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.583 -3.353 -10.641 1.00 0.45 C ATOM 0 H ILE A 130 3.914 -0.960 -9.224 1.00 0.28 H new ATOM 0 HA ILE A 130 5.643 -1.450 -6.880 1.00 0.28 H new ATOM 0 HB ILE A 130 6.588 -1.975 -9.674 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.486 -4.476 -9.057 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.228 -3.376 -8.530 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.683 -3.998 -8.620 1.00 0.37 H new ATOM 0 HG22 ILE A 130 8.114 -2.485 -7.788 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.907 -3.581 -7.074 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.832 -4.120 -10.832 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.142 -2.368 -10.792 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.419 -3.485 -11.328 1.00 0.45 H new ATOM 2037 N ILE A 131 7.009 0.630 -7.209 1.00 0.21 N ATOM 2038 CA ILE A 131 7.830 1.851 -7.324 1.00 0.26 C ATOM 2039 C ILE A 131 9.244 1.602 -6.683 1.00 0.18 C ATOM 2040 O ILE A 131 9.409 1.833 -5.476 1.00 0.18 O ATOM 2041 CB ILE A 131 7.129 3.114 -6.641 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.570 3.054 -6.743 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.619 4.462 -7.272 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.830 2.925 -5.413 1.00 0.84 C ATOM 0 H ILE A 131 6.976 0.243 -6.266 1.00 0.21 H new ATOM 0 HA ILE A 131 7.941 2.078 -8.384 1.00 0.26 H new ATOM 0 HB ILE A 131 7.417 3.077 -5.590 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.221 3.955 -7.247 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.297 2.209 -7.375 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.119 5.297 -6.781 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.697 4.555 -7.139 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.382 4.473 -8.336 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.756 2.892 -5.596 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.141 2.009 -4.911 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.064 3.782 -4.782 1.00 0.84 H new ATOM 2056 N PRO A 132 10.280 1.087 -7.461 1.00 0.13 N ATOM 2057 CA PRO A 132 11.681 0.888 -6.942 1.00 0.09 C ATOM 2058 C PRO A 132 12.477 2.202 -6.766 1.00 0.08 C ATOM 2059 O PRO A 132 12.404 3.106 -7.603 1.00 0.16 O ATOM 2060 CB PRO A 132 12.360 0.019 -8.023 1.00 0.13 C ATOM 2061 CG PRO A 132 11.222 -0.563 -8.806 1.00 0.16 C ATOM 2062 CD PRO A 132 10.172 0.535 -8.835 1.00 0.16 C ATOM 0 HA PRO A 132 11.654 0.441 -5.948 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.015 0.615 -8.658 1.00 0.13 H new ATOM 0 HB3 PRO A 132 12.975 -0.762 -7.576 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.534 -0.839 -9.813 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.837 -1.467 -8.333 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.385 1.286 -9.596 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.176 0.144 -9.043 1.00 0.16 H new ATOM 2070 N ILE A 133 13.231 2.273 -5.658 1.00 0.07 N ATOM 2071 CA ILE A 133 14.023 3.460 -5.292 1.00 0.08 C ATOM 2072 C ILE A 133 15.535 3.093 -5.136 1.00 0.08 C ATOM 2073 O ILE A 133 15.896 1.964 -4.787 1.00 0.10 O ATOM 2074 CB ILE A 133 13.461 4.115 -3.942 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.894 4.002 -3.856 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.883 5.614 -3.792 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.303 3.739 -2.460 1.00 0.38 C ATOM 0 H ILE A 133 13.309 1.508 -4.988 1.00 0.07 H new ATOM 0 HA ILE A 133 13.932 4.191 -6.095 1.00 0.08 H new ATOM 0 HB ILE A 133 13.905 3.550 -3.123 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.463 4.926 -4.241 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.572 3.200 -4.520 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.479 6.015 -2.862 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.970 5.686 -3.776 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.494 6.187 -4.633 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.217 3.682 -2.530 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.692 2.798 -2.072 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.581 4.551 -1.788 1.00 0.38 H new ATOM 2089 N SER A 134 16.395 4.087 -5.411 1.00 0.10 N ATOM 2090 CA SER A 134 17.842 3.928 -5.273 1.00 0.12 C ATOM 2091 C SER A 134 18.457 5.156 -4.563 1.00 0.13 C ATOM 2092 O SER A 134 18.515 6.260 -5.120 1.00 0.15 O ATOM 2093 CB SER A 134 18.489 3.681 -6.654 1.00 0.15 C ATOM 2094 OG SER A 134 19.785 3.101 -6.544 1.00 1.31 O ATOM 0 H SER A 134 16.106 5.011 -5.731 1.00 0.10 H new ATOM 0 HA SER A 134 18.045 3.056 -4.652 1.00 0.12 H new ATOM 0 HB2 SER A 134 17.848 3.024 -7.242 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.560 4.625 -7.194 1.00 0.15 H new ATOM 0 HG SER A 134 20.157 2.960 -7.439 1.00 1.31 H new ATOM 2100 N ILE A 135 18.898 4.929 -3.307 1.00 0.13 N ATOM 2101 CA ILE A 135 19.540 5.964 -2.466 1.00 0.15 C ATOM 2102 C ILE A 135 21.064 5.631 -2.331 1.00 0.18 C ATOM 2103 O ILE A 135 21.440 4.526 -1.920 1.00 0.18 O ATOM 2104 CB ILE A 135 18.810 6.099 -1.037 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.277 6.285 -1.200 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.369 7.260 -0.134 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.420 5.346 -0.342 1.00 0.15 C ATOM 0 H ILE A 135 18.819 4.022 -2.847 1.00 0.13 H new ATOM 0 HA ILE A 135 19.439 6.939 -2.943 1.00 0.15 H new ATOM 0 HB ILE A 135 19.027 5.159 -0.529 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.022 7.315 -0.952 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.017 6.136 -2.248 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.823 7.282 0.809 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.428 7.090 0.063 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.244 8.213 -0.648 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.365 5.550 -0.523 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.640 4.311 -0.604 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.645 5.509 0.712 1.00 0.15 H new ATOM 2119 N LYS A 136 21.904 6.619 -2.703 1.00 0.20 N ATOM 2120 CA LYS A 136 23.374 6.500 -2.648 1.00 0.23 C ATOM 2121 C LYS A 136 24.008 7.814 -2.188 1.00 0.28 C ATOM 2122 O LYS A 136 23.723 8.888 -2.742 1.00 0.29 O ATOM 2123 CB LYS A 136 23.937 6.089 -4.021 1.00 0.22 C ATOM 2124 CG LYS A 136 23.697 4.605 -4.356 1.00 0.25 C ATOM 2125 CD LYS A 136 23.959 4.273 -5.842 1.00 0.94 C ATOM 2126 CE LYS A 136 23.845 2.767 -6.132 1.00 1.23 C ATOM 2127 NZ LYS A 136 24.011 2.474 -7.582 1.00 2.05 N ATOM 0 H LYS A 136 21.581 7.522 -3.050 1.00 0.20 H new ATOM 0 HA LYS A 136 23.623 5.724 -1.924 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.480 6.708 -4.794 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.008 6.291 -4.043 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.343 3.988 -3.732 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.669 4.343 -4.106 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.247 4.816 -6.464 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.954 4.620 -6.120 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.602 2.228 -5.562 1.00 1.23 H new ATOM 0 HE3 LYS A 136 22.874 2.404 -5.796 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.928 1.450 -7.741 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.273 2.969 -8.123 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.948 2.799 -7.897 1.00 2.05 H new ATOM 2141 N LYS A 137 24.845 7.721 -1.108 1.00 0.33 N ATOM 2142 CA LYS A 137 25.568 8.877 -0.458 1.00 0.40 C ATOM 2143 C LYS A 137 24.622 9.906 0.265 1.00 0.39 C ATOM 2144 O LYS A 137 25.032 11.025 0.589 1.00 0.42 O ATOM 2145 CB LYS A 137 26.458 9.606 -1.498 1.00 0.44 C ATOM 2146 CG LYS A 137 27.660 10.383 -0.901 1.00 0.99 C ATOM 2147 CD LYS A 137 28.429 11.225 -1.952 1.00 1.59 C ATOM 2148 CE LYS A 137 27.703 12.533 -2.325 1.00 2.70 C ATOM 2149 NZ LYS A 137 27.495 13.413 -1.140 1.00 3.55 N ATOM 0 H LYS A 137 25.043 6.830 -0.653 1.00 0.33 H new ATOM 0 HA LYS A 137 26.186 8.439 0.326 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.836 8.871 -2.209 1.00 0.44 H new ATOM 0 HB3 LYS A 137 25.837 10.303 -2.060 1.00 0.44 H new ATOM 0 HG2 LYS A 137 27.301 11.042 -0.110 1.00 0.99 H new ATOM 0 HG3 LYS A 137 28.348 9.675 -0.439 1.00 0.99 H new ATOM 0 HD2 LYS A 137 29.419 11.464 -1.564 1.00 1.59 H new ATOM 0 HD3 LYS A 137 28.575 10.628 -2.852 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.283 13.068 -3.077 1.00 2.70 H new ATOM 0 HE3 LYS A 137 26.739 12.297 -2.775 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 27.309 14.386 -1.458 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 26.683 13.068 -0.590 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 28.347 13.400 -0.544 1.00 3.55 H new ATOM 2163 N GLY A 138 23.356 9.487 0.516 1.00 0.35 N ATOM 2164 CA GLY A 138 22.340 10.340 1.143 1.00 0.36 C ATOM 2165 C GLY A 138 21.370 11.025 0.148 1.00 0.33 C ATOM 2166 O GLY A 138 20.699 11.987 0.525 1.00 0.37 O ATOM 0 H GLY A 138 23.022 8.551 0.287 1.00 0.35 H new ATOM 0 HA2 GLY A 138 21.758 9.737 1.840 1.00 0.36 H new ATOM 0 HA3 GLY A 138 22.842 11.110 1.729 1.00 0.36 H new ATOM 2170 N LYS A 139 21.301 10.532 -1.120 1.00 0.29 N ATOM 2171 CA LYS A 139 20.405 11.110 -2.138 1.00 0.29 C ATOM 2172 C LYS A 139 19.392 10.094 -2.687 1.00 0.26 C ATOM 2173 O LYS A 139 19.729 8.940 -2.956 1.00 0.25 O ATOM 2174 CB LYS A 139 21.219 11.662 -3.302 1.00 0.33 C ATOM 2175 CG LYS A 139 21.615 13.145 -3.196 1.00 0.65 C ATOM 2176 CD LYS A 139 22.685 13.553 -4.233 1.00 0.67 C ATOM 2177 CE LYS A 139 22.895 15.073 -4.276 1.00 1.00 C ATOM 2178 NZ LYS A 139 24.117 15.443 -5.044 1.00 1.56 N ATOM 0 H LYS A 139 21.854 9.742 -1.451 1.00 0.29 H new ATOM 0 HA LYS A 139 19.849 11.906 -1.642 1.00 0.29 H new ATOM 0 HB2 LYS A 139 22.128 11.068 -3.399 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.647 11.522 -4.220 1.00 0.33 H new ATOM 0 HG2 LYS A 139 20.728 13.764 -3.332 1.00 0.65 H new ATOM 0 HG3 LYS A 139 21.992 13.345 -2.193 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.629 13.063 -3.992 1.00 0.67 H new ATOM 0 HD3 LYS A 139 22.386 13.200 -5.220 1.00 0.67 H new ATOM 0 HE2 LYS A 139 22.024 15.547 -4.729 1.00 1.00 H new ATOM 0 HE3 LYS A 139 22.975 15.457 -3.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 24.223 16.478 -5.050 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 24.951 15.012 -4.598 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 24.030 15.099 -6.021 1.00 1.56 H new ATOM 2192 N LEU A 140 18.164 10.581 -2.942 1.00 0.25 N ATOM 2193 CA LEU A 140 17.051 9.743 -3.424 1.00 0.24 C ATOM 2194 C LEU A 140 16.796 9.881 -4.939 1.00 0.26 C ATOM 2195 O LEU A 140 16.712 10.988 -5.479 1.00 0.34 O ATOM 2196 CB LEU A 140 15.776 10.140 -2.650 1.00 0.24 C ATOM 2197 CG LEU A 140 14.695 9.046 -2.403 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.236 9.024 -0.947 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.485 9.253 -3.297 1.00 0.25 C ATOM 0 H LEU A 140 17.916 11.563 -2.820 1.00 0.25 H new ATOM 0 HA LEU A 140 17.320 8.701 -3.249 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.083 10.530 -1.680 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.302 10.961 -3.188 1.00 0.24 H new ATOM 0 HG LEU A 140 15.163 8.091 -2.642 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.482 8.248 -0.815 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.088 8.816 -0.300 1.00 0.22 H new ATOM 0 HD13 LEU A 140 13.810 9.992 -0.685 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.749 8.473 -3.100 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.044 10.228 -3.092 1.00 0.25 H new ATOM 0 HD23 LEU A 140 13.792 9.206 -4.342 1.00 0.25 H new ATOM 2211 N SER A 141 16.658 8.723 -5.603 1.00 0.21 N ATOM 2212 CA SER A 141 16.383 8.667 -7.043 1.00 0.22 C ATOM 2213 C SER A 141 15.091 7.871 -7.322 1.00 0.19 C ATOM 2214 O SER A 141 15.031 6.651 -7.092 1.00 0.16 O ATOM 2215 CB SER A 141 17.568 8.033 -7.784 1.00 0.25 C ATOM 2216 OG SER A 141 17.932 8.794 -8.925 1.00 0.64 O ATOM 0 H SER A 141 16.733 7.808 -5.159 1.00 0.21 H new ATOM 0 HA SER A 141 16.243 9.685 -7.406 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.421 7.955 -7.110 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.308 7.019 -8.089 1.00 0.25 H new ATOM 0 HG SER A 141 18.690 8.366 -9.375 1.00 0.64 H new ATOM 2222 N VAL A 142 14.060 8.592 -7.813 1.00 0.21 N ATOM 2223 CA VAL A 142 12.747 7.998 -8.144 1.00 0.22 C ATOM 2224 C VAL A 142 12.539 7.975 -9.724 1.00 0.25 C ATOM 2225 O VAL A 142 12.086 8.955 -10.322 1.00 0.26 O ATOM 2226 CB VAL A 142 11.550 8.702 -7.264 1.00 0.27 C ATOM 2227 CG1 VAL A 142 11.115 10.135 -7.686 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.302 7.803 -7.165 1.00 0.41 C ATOM 0 H VAL A 142 14.113 9.595 -7.990 1.00 0.21 H new ATOM 0 HA VAL A 142 12.709 6.950 -7.846 1.00 0.22 H new ATOM 0 HB VAL A 142 12.024 8.821 -6.290 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.320 10.483 -7.026 1.00 0.46 H new ATOM 0 HG12 VAL A 142 11.968 10.810 -7.614 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.752 10.117 -8.714 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.536 8.307 -6.575 1.00 0.41 H new ATOM 0 HG22 VAL A 142 9.917 7.604 -8.165 1.00 0.41 H new ATOM 0 HG23 VAL A 142 10.569 6.862 -6.685 1.00 0.41 H new ATOM 2238 N GLN A 143 12.915 6.826 -10.373 1.00 0.31 N ATOM 2239 CA GLN A 143 12.807 6.586 -11.868 1.00 0.39 C ATOM 2240 C GLN A 143 13.715 7.528 -12.723 1.00 0.41 C ATOM 2241 O GLN A 143 14.838 7.161 -13.082 1.00 0.46 O ATOM 2242 CB GLN A 143 11.327 6.662 -12.363 1.00 0.44 C ATOM 2243 CG GLN A 143 10.450 5.414 -12.091 1.00 0.65 C ATOM 2244 CD GLN A 143 9.812 5.418 -10.713 1.00 0.87 C ATOM 2245 OE1 GLN A 143 8.703 5.919 -10.533 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.513 4.859 -9.733 1.00 1.12 N ATOM 0 H GLN A 143 13.307 6.027 -9.875 1.00 0.31 H new ATOM 0 HA GLN A 143 13.177 5.572 -12.020 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.852 7.523 -11.893 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.334 6.848 -13.437 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.666 5.357 -12.847 1.00 0.65 H new ATOM 0 HG3 GLN A 143 11.062 4.518 -12.198 1.00 0.65 H new ATOM 0 HE21 GLN A 143 11.429 4.455 -9.928 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.135 4.834 -8.786 1.00 1.12 H new ATOM 2255 N GLY A 144 13.195 8.736 -13.026 1.00 0.40 N ATOM 2256 CA GLY A 144 13.939 9.752 -13.779 1.00 0.45 C ATOM 2257 C GLY A 144 13.960 11.132 -13.086 1.00 0.42 C ATOM 2258 O GLY A 144 14.028 12.163 -13.760 1.00 0.49 O ATOM 0 H GLY A 144 12.256 9.027 -12.756 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.964 9.410 -13.923 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.496 9.857 -14.769 1.00 0.45 H new ATOM 2262 N GLU A 145 13.901 11.134 -11.731 1.00 0.33 N ATOM 2263 CA GLU A 145 13.920 12.359 -10.913 1.00 0.32 C ATOM 2264 C GLU A 145 14.904 12.210 -9.741 1.00 0.27 C ATOM 2265 O GLU A 145 14.743 11.332 -8.888 1.00 0.36 O ATOM 2266 CB GLU A 145 12.499 12.661 -10.373 1.00 0.37 C ATOM 2267 CG GLU A 145 11.764 13.835 -11.058 1.00 0.80 C ATOM 2268 CD GLU A 145 12.345 15.193 -10.694 1.00 1.16 C ATOM 2269 OE1 GLU A 145 11.934 15.758 -9.659 1.00 1.82 O ATOM 2270 OE2 GLU A 145 13.211 15.691 -11.446 1.00 1.53 O ATOM 0 H GLU A 145 13.839 10.279 -11.179 1.00 0.33 H new ATOM 0 HA GLU A 145 14.247 13.188 -11.541 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.890 11.763 -10.478 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.572 12.873 -9.306 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.810 13.704 -12.139 1.00 0.80 H new ATOM 0 HG3 GLU A 145 10.711 13.810 -10.779 1.00 0.80 H new ATOM 2277 N VAL A 146 15.916 13.094 -9.697 1.00 0.30 N ATOM 2278 CA VAL A 146 16.955 13.057 -8.641 1.00 0.27 C ATOM 2279 C VAL A 146 16.790 14.251 -7.610 1.00 0.28 C ATOM 2280 O VAL A 146 16.601 15.414 -7.992 1.00 0.32 O ATOM 2281 CB VAL A 146 18.429 12.889 -9.312 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.048 14.166 -9.971 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.457 12.251 -8.342 1.00 0.72 C ATOM 0 H VAL A 146 16.041 13.844 -10.377 1.00 0.30 H new ATOM 0 HA VAL A 146 16.824 12.172 -8.018 1.00 0.27 H new ATOM 0 HB VAL A 146 18.224 12.208 -10.138 1.00 0.31 H new ATOM 0 HG11 VAL A 146 20.029 13.925 -10.381 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.396 14.515 -10.772 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.151 14.949 -9.220 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.422 12.163 -8.841 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.562 12.880 -7.458 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.111 11.261 -8.044 1.00 0.72 H new ATOM 2293 N SER A 147 16.866 13.902 -6.315 1.00 0.27 N ATOM 2294 CA SER A 147 16.736 14.860 -5.202 1.00 0.29 C ATOM 2295 C SER A 147 17.533 14.371 -3.976 1.00 0.29 C ATOM 2296 O SER A 147 18.237 13.354 -4.036 1.00 0.30 O ATOM 2297 CB SER A 147 15.253 15.043 -4.819 1.00 0.31 C ATOM 2298 OG SER A 147 14.624 16.035 -5.617 1.00 0.56 O ATOM 0 H SER A 147 17.020 12.942 -6.008 1.00 0.27 H new ATOM 0 HA SER A 147 17.139 15.819 -5.528 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.727 14.095 -4.935 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.180 15.321 -3.768 1.00 0.31 H new ATOM 0 HG SER A 147 15.063 16.078 -6.492 1.00 0.56 H new ATOM 2304 N THR A 148 17.456 15.118 -2.860 1.00 0.30 N ATOM 2305 CA THR A 148 18.165 14.728 -1.616 1.00 0.31 C ATOM 2306 C THR A 148 17.233 14.077 -0.556 1.00 0.27 C ATOM 2307 O THR A 148 16.118 14.552 -0.310 1.00 0.32 O ATOM 2308 CB THR A 148 18.969 15.902 -0.935 1.00 0.44 C ATOM 2309 OG1 THR A 148 18.146 17.073 -0.740 1.00 1.25 O ATOM 2310 CG2 THR A 148 20.237 16.317 -1.718 1.00 0.99 C ATOM 0 H THR A 148 16.920 15.983 -2.788 1.00 0.30 H new ATOM 0 HA THR A 148 18.882 13.985 -1.964 1.00 0.31 H new ATOM 0 HB THR A 148 19.281 15.500 0.029 1.00 0.44 H new ATOM 0 HG1 THR A 148 18.677 17.779 -0.315 1.00 1.25 H new ATOM 0 HG21 THR A 148 20.740 17.129 -1.192 1.00 0.99 H new ATOM 0 HG22 THR A 148 20.911 15.464 -1.798 1.00 0.99 H new ATOM 0 HG23 THR A 148 19.955 16.651 -2.716 1.00 0.99 H new ATOM 2318 N PHE A 149 17.730 12.984 0.076 1.00 0.26 N ATOM 2319 CA PHE A 149 17.006 12.262 1.163 1.00 0.24 C ATOM 2320 C PHE A 149 17.313 12.914 2.532 1.00 0.24 C ATOM 2321 O PHE A 149 18.478 12.983 2.947 1.00 0.29 O ATOM 2322 CB PHE A 149 17.410 10.748 1.191 1.00 0.23 C ATOM 2323 CG PHE A 149 16.890 9.968 2.416 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.521 9.731 2.584 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.755 9.523 3.424 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.038 9.087 3.703 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.268 8.866 4.540 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.909 8.653 4.681 1.00 0.25 C ATOM 0 H PHE A 149 18.638 12.577 -0.149 1.00 0.26 H new ATOM 0 HA PHE A 149 15.936 12.331 0.965 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.036 10.269 0.286 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.497 10.675 1.165 1.00 0.23 H new ATOM 0 HD1 PHE A 149 14.829 10.059 1.822 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.817 9.695 3.329 1.00 0.24 H new ATOM 0 HE1 PHE A 149 13.976 8.922 3.814 1.00 0.24 H new ATOM 0 HE2 PHE A 149 17.950 8.519 5.302 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.530 8.147 5.556 1.00 0.25 H new ATOM 2338 N THR A 150 16.262 13.374 3.230 1.00 0.25 N ATOM 2339 CA THR A 150 16.473 14.025 4.542 1.00 0.30 C ATOM 2340 C THR A 150 15.617 13.387 5.687 1.00 0.40 C ATOM 2341 O THR A 150 14.477 13.786 5.942 1.00 1.15 O ATOM 2342 CB THR A 150 16.363 15.640 4.452 1.00 0.66 C ATOM 2343 OG1 THR A 150 16.605 16.252 5.732 1.00 1.42 O ATOM 2344 CG2 THR A 150 15.026 16.216 3.875 1.00 1.18 C ATOM 0 H THR A 150 15.290 13.314 2.926 1.00 0.25 H new ATOM 0 HA THR A 150 17.505 13.822 4.829 1.00 0.30 H new ATOM 0 HB THR A 150 17.138 15.895 3.729 1.00 0.66 H new ATOM 0 HG1 THR A 150 16.534 17.226 5.648 1.00 1.42 H new ATOM 0 HG21 THR A 150 15.073 17.305 3.865 1.00 1.18 H new ATOM 0 HG22 THR A 150 14.881 15.850 2.859 1.00 1.18 H new ATOM 0 HG23 THR A 150 14.192 15.895 4.499 1.00 1.18 H new ATOM 2352 N GLY A 151 16.231 12.382 6.367 1.00 0.32 N ATOM 2353 CA GLY A 151 15.629 11.686 7.531 1.00 0.18 C ATOM 2354 C GLY A 151 14.527 10.639 7.274 1.00 0.20 C ATOM 2355 O GLY A 151 14.708 9.465 7.599 1.00 0.42 O ATOM 0 H GLY A 151 17.158 12.033 6.121 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.435 11.192 8.075 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.216 12.446 8.194 1.00 0.18 H new ATOM 2359 N LYS A 152 13.389 11.074 6.704 1.00 0.16 N ATOM 2360 CA LYS A 152 12.239 10.189 6.471 1.00 0.13 C ATOM 2361 C LYS A 152 11.655 10.308 5.046 1.00 0.13 C ATOM 2362 O LYS A 152 11.860 11.294 4.335 1.00 0.16 O ATOM 2363 CB LYS A 152 11.182 10.484 7.613 1.00 0.22 C ATOM 2364 CG LYS A 152 9.656 10.337 7.301 1.00 0.41 C ATOM 2365 CD LYS A 152 9.035 11.494 6.464 1.00 0.56 C ATOM 2366 CE LYS A 152 9.136 12.871 7.134 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.246 13.866 6.473 1.00 1.10 N ATOM 0 H LYS A 152 13.243 12.036 6.396 1.00 0.16 H new ATOM 0 HA LYS A 152 12.556 9.147 6.523 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.410 9.823 8.449 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.349 11.504 7.958 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.499 9.400 6.767 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.115 10.261 8.244 1.00 0.41 H new ATOM 0 HD2 LYS A 152 9.532 11.535 5.495 1.00 0.56 H new ATOM 0 HD3 LYS A 152 7.985 11.269 6.275 1.00 0.56 H new ATOM 0 HE2 LYS A 152 8.868 12.785 8.187 1.00 0.69 H new ATOM 0 HE3 LYS A 152 10.167 13.221 7.095 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.338 14.785 6.950 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 8.518 13.965 5.474 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 7.259 13.543 6.533 1.00 1.10 H new ATOM 2381 N LEU A 153 10.915 9.243 4.679 1.00 0.12 N ATOM 2382 CA LEU A 153 10.180 9.120 3.392 1.00 0.13 C ATOM 2383 C LEU A 153 8.670 9.286 3.666 1.00 0.13 C ATOM 2384 O LEU A 153 8.150 8.676 4.610 1.00 0.18 O ATOM 2385 CB LEU A 153 10.455 7.739 2.759 1.00 0.15 C ATOM 2386 CG LEU A 153 10.740 7.670 1.228 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.605 6.459 0.886 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.449 7.600 0.408 1.00 0.67 C ATOM 0 H LEU A 153 10.806 8.424 5.277 1.00 0.12 H new ATOM 0 HA LEU A 153 10.515 9.891 2.699 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.309 7.301 3.276 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.595 7.102 2.966 1.00 0.15 H new ATOM 0 HG LEU A 153 11.270 8.587 0.971 1.00 0.34 H new ATOM 0 HD11 LEU A 153 11.789 6.435 -0.188 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.555 6.530 1.415 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.089 5.547 1.187 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.694 7.553 -0.653 1.00 0.67 H new ATOM 0 HD22 LEU A 153 8.887 6.710 0.690 1.00 0.67 H new ATOM 0 HD23 LEU A 153 8.846 8.487 0.602 1.00 0.67 H new ATOM 2400 N SER A 154 7.943 10.093 2.859 1.00 0.14 N ATOM 2401 CA SER A 154 6.520 10.306 3.174 1.00 0.16 C ATOM 2402 C SER A 154 5.550 9.899 2.052 1.00 0.19 C ATOM 2403 O SER A 154 5.581 10.440 0.954 1.00 0.36 O ATOM 2404 CB SER A 154 6.309 11.790 3.521 1.00 0.21 C ATOM 2405 OG SER A 154 5.206 11.994 4.396 1.00 0.24 O ATOM 0 H SER A 154 8.294 10.579 2.034 1.00 0.14 H new ATOM 0 HA SER A 154 6.287 9.654 4.016 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.214 12.183 3.984 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.149 12.355 2.603 1.00 0.21 H new ATOM 0 HG SER A 154 5.114 12.950 4.588 1.00 0.24 H new ATOM 2411 N VAL A 155 4.611 9.000 2.387 1.00 0.16 N ATOM 2412 CA VAL A 155 3.598 8.525 1.398 1.00 0.19 C ATOM 2413 C VAL A 155 2.213 9.084 1.804 1.00 0.25 C ATOM 2414 O VAL A 155 1.572 8.572 2.728 1.00 0.30 O ATOM 2415 CB VAL A 155 3.508 6.923 1.213 1.00 0.28 C ATOM 2416 CG1 VAL A 155 2.873 6.507 -0.148 1.00 0.39 C ATOM 2417 CG2 VAL A 155 4.866 6.208 1.305 1.00 0.74 C ATOM 0 H VAL A 155 4.522 8.586 3.315 1.00 0.16 H new ATOM 0 HA VAL A 155 3.924 8.899 0.428 1.00 0.19 H new ATOM 0 HB VAL A 155 2.875 6.614 2.045 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.839 5.420 -0.216 1.00 0.39 H new ATOM 0 HG12 VAL A 155 1.861 6.907 -0.215 1.00 0.39 H new ATOM 0 HG13 VAL A 155 3.474 6.903 -0.966 1.00 0.39 H new ATOM 0 HG21 VAL A 155 4.723 5.136 1.171 1.00 0.74 H new ATOM 0 HG22 VAL A 155 5.529 6.586 0.527 1.00 0.74 H new ATOM 0 HG23 VAL A 155 5.310 6.395 2.283 1.00 0.74 H new ATOM 2427 N GLU A 156 1.772 10.130 1.089 1.00 0.28 N ATOM 2428 CA GLU A 156 0.466 10.731 1.375 1.00 0.36 C ATOM 2429 C GLU A 156 -0.364 10.913 0.099 1.00 0.34 C ATOM 2430 O GLU A 156 0.164 11.113 -1.009 1.00 0.38 O ATOM 2431 CB GLU A 156 0.595 12.046 2.225 1.00 0.53 C ATOM 2432 CG GLU A 156 0.835 13.370 1.467 1.00 0.73 C ATOM 2433 CD GLU A 156 -0.374 14.292 1.514 1.00 1.26 C ATOM 2434 OE1 GLU A 156 -0.512 15.040 2.505 1.00 1.66 O ATOM 2435 OE2 GLU A 156 -1.181 14.264 0.561 1.00 1.67 O ATOM 0 H GLU A 156 2.289 10.567 0.326 1.00 0.28 H new ATOM 0 HA GLU A 156 -0.088 10.030 2.000 1.00 0.36 H new ATOM 0 HB2 GLU A 156 -0.316 12.156 2.812 1.00 0.53 H new ATOM 0 HB3 GLU A 156 1.415 11.910 2.931 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.696 13.881 1.898 1.00 0.73 H new ATOM 0 HG3 GLU A 156 1.082 13.151 0.428 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.679 10.842 0.289 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.637 10.963 -0.810 1.00 0.40 C ATOM 2444 C PHE A 157 -3.584 12.159 -0.628 1.00 0.41 C ATOM 2445 O PHE A 157 -4.033 12.494 0.497 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.432 9.639 -1.026 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.378 8.656 0.146 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -3.972 8.957 1.377 1.00 1.03 C ATOM 2449 CD2 PHE A 157 -2.756 7.420 0.007 1.00 0.99 C ATOM 2450 CE1 PHE A 157 -3.941 8.054 2.425 1.00 1.60 C ATOM 2451 CE2 PHE A 157 -2.724 6.517 1.061 1.00 1.55 C ATOM 2452 CZ PHE A 157 -3.240 6.887 2.309 1.00 1.80 C ATOM 0 H PHE A 157 -2.110 10.700 1.203 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.055 11.152 -1.712 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.475 9.887 -1.226 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -3.046 9.142 -1.916 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -4.463 9.910 1.511 1.00 1.03 H new ATOM 0 HD2 PHE A 157 -2.292 7.159 -0.933 1.00 0.99 H new ATOM 0 HE1 PHE A 157 -4.473 8.273 3.339 1.00 1.60 H new ATOM 0 HE2 PHE A 157 -2.303 5.533 0.919 1.00 1.55 H new ATOM 0 HZ PHE A 157 -3.085 6.256 3.172 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.854 12.790 -1.788 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.712 14.005 -1.910 1.00 0.46 C ATOM 2464 C VAL A 158 -6.072 13.657 -2.604 1.00 0.48 C ATOM 2465 O VAL A 158 -6.144 12.809 -3.512 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.033 15.259 -2.675 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.325 16.598 -1.952 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.494 15.172 -2.879 1.00 0.58 C ATOM 0 H VAL A 158 -3.482 12.473 -2.683 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.868 14.328 -0.881 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.498 15.218 -3.660 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -3.852 17.416 -2.496 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.402 16.763 -1.912 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -3.927 16.559 -0.938 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.145 16.063 -3.401 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.002 15.104 -1.909 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.255 14.288 -3.470 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.134 14.367 -2.147 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.552 14.213 -2.603 1.00 0.56 C ATOM 2480 C LYS A 159 -8.858 14.711 -4.049 1.00 0.66 C ATOM 2481 O LYS A 159 -8.231 15.651 -4.555 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.481 14.987 -1.626 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.176 16.506 -1.514 1.00 1.06 C ATOM 2484 CD LYS A 159 -10.272 17.281 -0.751 1.00 1.48 C ATOM 2485 CE LYS A 159 -9.962 18.786 -0.659 1.00 1.63 C ATOM 2486 NZ LYS A 159 -9.884 19.418 -2.005 1.00 2.18 N ATOM 0 H LYS A 159 -7.032 15.085 -1.430 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.731 13.138 -2.610 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.514 14.860 -1.949 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.400 14.539 -0.636 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -8.221 16.644 -1.008 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.070 16.926 -2.514 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.230 17.139 -1.251 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -10.373 16.870 0.254 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -10.734 19.281 -0.069 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -9.018 18.931 -0.134 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -9.860 20.453 -1.902 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -9.021 19.099 -2.489 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -10.716 19.145 -2.566 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.849 14.055 -4.675 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.306 14.410 -6.028 1.00 0.93 C ATOM 2502 C GLY A 160 -11.721 15.012 -6.035 1.00 0.96 C ATOM 2503 O GLY A 160 -11.927 16.117 -6.543 1.00 1.02 O ATOM 0 H GLY A 160 -10.352 13.270 -4.261 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -9.609 15.124 -6.467 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.290 13.521 -6.658 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.689 14.264 -5.467 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.095 14.702 -5.357 1.00 1.02 C ATOM 2509 C TYR A 161 -14.634 14.486 -3.922 1.00 1.05 C ATOM 2510 O TYR A 161 -15.104 15.433 -3.286 1.00 1.11 O ATOM 2511 CB TYR A 161 -14.982 13.955 -6.373 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.078 14.631 -7.749 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -14.073 14.472 -8.714 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.177 15.425 -8.086 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -14.168 15.084 -9.954 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -16.270 16.035 -9.327 1.00 2.26 C ATOM 2517 CZ TYR A 161 -15.239 15.859 -10.255 1.00 2.29 C ATOM 2518 OH TYR A 161 -15.357 16.468 -11.483 1.00 2.86 O ATOM 0 H TYR A 161 -12.518 13.339 -5.072 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.128 15.768 -5.581 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.592 12.946 -6.504 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -15.985 13.858 -5.959 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -13.211 13.863 -8.487 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -16.969 15.566 -7.366 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -13.385 14.943 -10.684 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -17.130 16.640 -9.575 1.00 2.26 H new ATOM 0 HH TYR A 161 -16.191 16.981 -11.515 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.556 13.231 -3.426 1.00 1.09 N ATOM 2529 CA TYR A 162 -15.012 12.866 -2.066 1.00 1.17 C ATOM 2530 C TYR A 162 -13.965 12.016 -1.300 1.00 1.10 C ATOM 2531 O TYR A 162 -13.741 12.237 -0.108 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.344 12.095 -2.128 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.583 12.983 -2.320 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -18.138 13.680 -1.241 1.00 2.00 C ATOM 2535 CD2 TYR A 162 -18.196 13.129 -3.569 1.00 2.57 C ATOM 2536 CE1 TYR A 162 -19.255 14.484 -1.404 1.00 2.64 C ATOM 2537 CE2 TYR A 162 -19.313 13.935 -3.730 1.00 3.18 C ATOM 2538 CZ TYR A 162 -19.835 14.605 -2.646 1.00 3.16 C ATOM 2539 OH TYR A 162 -20.945 15.403 -2.807 1.00 3.91 O ATOM 0 H TYR A 162 -14.177 12.445 -3.955 1.00 1.09 H new ATOM 0 HA TYR A 162 -15.150 13.801 -1.523 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.296 11.377 -2.947 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.461 11.522 -1.208 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -17.688 13.590 -0.263 1.00 2.00 H new ATOM 0 HD2 TYR A 162 -17.792 12.605 -4.423 1.00 2.57 H new ATOM 0 HE1 TYR A 162 -19.669 15.014 -0.559 1.00 2.64 H new ATOM 0 HE2 TYR A 162 -19.772 14.037 -4.702 1.00 3.18 H new ATOM 0 HH TYR A 162 -21.231 15.381 -3.744 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.330 11.045 -2.001 1.00 1.04 N ATOM 2550 CA ASP A 163 -12.307 10.147 -1.408 1.00 0.99 C ATOM 2551 C ASP A 163 -10.892 10.403 -1.988 1.00 1.06 C ATOM 2552 O ASP A 163 -10.735 10.903 -3.111 1.00 1.74 O ATOM 2553 CB ASP A 163 -12.696 8.675 -1.646 1.00 1.11 C ATOM 2554 CG ASP A 163 -13.527 8.080 -0.513 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.446 8.771 -0.025 1.00 1.34 O ATOM 2556 OD2 ASP A 163 -13.260 6.924 -0.122 1.00 1.27 O ATOM 0 H ASP A 163 -13.511 10.862 -2.988 1.00 1.04 H new ATOM 0 HA ASP A 163 -12.274 10.360 -0.340 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -13.258 8.601 -2.577 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -11.790 8.083 -1.772 1.00 1.11 H new ATOM 2561 N ASN A 164 -9.863 10.046 -1.196 1.00 0.83 N ATOM 2562 CA ASN A 164 -8.436 10.209 -1.601 1.00 0.83 C ATOM 2563 C ASN A 164 -7.739 8.835 -1.661 1.00 1.01 C ATOM 2564 O ASN A 164 -7.013 8.572 -2.616 1.00 1.68 O ATOM 2565 CB ASN A 164 -7.555 11.182 -0.700 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.273 12.017 0.385 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.608 12.212 1.515 1.00 1.57 O flip ATOM 2568 ND2 ASN A 164 -9.394 12.490 0.200 1.00 0.82 N flip ATOM 0 H ASN A 164 -9.984 9.641 -0.268 1.00 0.83 H new ATOM 0 HA ASN A 164 -8.496 10.686 -2.579 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -6.792 10.580 -0.207 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -7.036 11.873 -1.364 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -9.880 12.322 -0.681 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -9.837 13.050 0.928 1.00 0.82 H new ATOM 2575 N PRO A 165 -7.881 7.956 -0.614 1.00 0.87 N ATOM 2576 CA PRO A 165 -7.291 6.599 -0.628 1.00 1.06 C ATOM 2577 C PRO A 165 -8.293 5.422 -0.827 1.00 0.93 C ATOM 2578 O PRO A 165 -8.274 4.749 -1.859 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.681 6.511 0.780 1.00 1.45 C ATOM 2580 CG PRO A 165 -7.495 7.475 1.649 1.00 2.06 C ATOM 2581 CD PRO A 165 -8.456 8.228 0.720 1.00 1.41 C ATOM 0 HA PRO A 165 -6.609 6.488 -1.471 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.737 5.494 1.167 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -5.627 6.790 0.768 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -8.048 6.929 2.413 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.838 8.172 2.168 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -9.478 7.858 0.806 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -8.483 9.295 0.941 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.138 5.196 0.225 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.161 4.120 0.351 1.00 0.47 C ATOM 2591 C LYS A 166 -9.530 2.890 1.074 1.00 0.42 C ATOM 2592 O LYS A 166 -9.552 2.853 2.308 1.00 0.47 O ATOM 2593 CB LYS A 166 -10.863 3.775 -1.001 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.290 3.183 -0.875 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.043 3.134 -2.234 1.00 1.83 C ATOM 2596 CE LYS A 166 -13.775 4.447 -2.570 1.00 2.33 C ATOM 2597 NZ LYS A 166 -14.277 4.446 -3.971 1.00 3.00 N ATOM 0 H LYS A 166 -9.119 5.795 1.050 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.979 4.486 0.971 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -10.915 4.680 -1.606 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -10.240 3.065 -1.544 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.226 2.176 -0.464 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.865 3.780 -0.167 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -12.331 2.909 -3.028 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -13.765 2.318 -2.212 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -14.610 4.586 -1.883 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -13.099 5.290 -2.425 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -13.738 5.135 -4.533 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -14.160 3.497 -4.381 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -15.284 4.705 -3.979 1.00 3.00 H new ATOM 2611 N VAL A 167 -8.966 1.883 0.336 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.249 0.747 1.003 1.00 0.38 C ATOM 2613 C VAL A 167 -6.732 0.849 0.622 1.00 0.34 C ATOM 2614 O VAL A 167 -6.385 0.907 -0.573 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.843 -0.711 0.629 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.167 -1.877 1.406 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.368 -0.848 0.881 1.00 0.58 C ATOM 0 H VAL A 167 -8.991 1.833 -0.682 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.393 0.839 2.080 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.627 -0.786 -0.437 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.616 -2.824 1.104 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.100 -1.893 1.182 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -8.311 -1.732 2.477 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.693 -1.852 0.607 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.580 -0.673 1.936 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.904 -0.116 0.277 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.858 0.749 1.656 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.398 0.847 1.464 1.00 0.35 C ATOM 2629 C CYS A 168 -3.624 -0.220 2.265 1.00 0.36 C ATOM 2630 O CYS A 168 -3.770 -0.340 3.483 1.00 0.48 O ATOM 2631 CB CYS A 168 -3.922 2.239 1.867 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.393 2.757 1.055 1.00 0.87 S ATOM 0 H CYS A 168 -6.142 0.601 2.624 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.195 0.669 0.408 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.706 2.961 1.637 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.774 2.263 2.947 1.00 0.37 H new ATOM 0 HG CYS A 168 -1.657 3.419 1.898 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.760 -0.962 1.537 1.00 0.29 N ATOM 2639 CA ALA A 169 -1.938 -2.090 2.065 1.00 0.29 C ATOM 2640 C ALA A 169 -0.387 -1.917 1.949 1.00 0.25 C ATOM 2641 O ALA A 169 0.302 -2.710 1.266 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.427 -3.470 1.590 1.00 0.34 C ATOM 0 H ALA A 169 -2.606 -0.795 0.543 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.117 -2.046 3.139 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.787 -4.247 2.009 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.453 -3.627 1.923 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.387 -3.515 0.502 1.00 0.34 H new ATOM 2648 N LEU A 170 0.129 -0.737 2.416 1.00 0.22 N ATOM 2649 CA LEU A 170 1.597 -0.362 2.453 1.00 0.21 C ATOM 2650 C LEU A 170 2.578 -1.494 2.885 1.00 0.19 C ATOM 2651 O LEU A 170 2.354 -2.195 3.874 1.00 0.34 O ATOM 2652 CB LEU A 170 1.789 0.805 3.447 1.00 0.31 C ATOM 2653 CG LEU A 170 2.331 2.177 2.910 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.642 2.047 2.114 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.291 2.909 2.055 1.00 0.70 C ATOM 0 H LEU A 170 -0.470 0.001 2.787 1.00 0.22 H new ATOM 0 HA LEU A 170 1.845 -0.111 1.422 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.827 0.994 3.923 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.469 0.465 4.228 1.00 0.31 H new ATOM 0 HG LEU A 170 2.541 2.764 3.804 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.960 3.032 1.773 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.414 1.618 2.752 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.482 1.399 1.252 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.708 3.853 1.704 1.00 0.70 H new ATOM 0 HD22 LEU A 170 1.023 2.290 1.199 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.401 3.105 2.653 1.00 0.70 H new ATOM 2667 N PHE A 171 3.637 -1.658 2.095 1.00 0.16 N ATOM 2668 CA PHE A 171 4.651 -2.682 2.337 1.00 0.14 C ATOM 2669 C PHE A 171 6.018 -2.221 1.789 1.00 0.14 C ATOM 2670 O PHE A 171 6.256 -2.300 0.579 1.00 0.19 O ATOM 2671 CB PHE A 171 4.186 -4.018 1.662 1.00 0.17 C ATOM 2672 CG PHE A 171 5.209 -5.163 1.563 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.234 -5.321 2.500 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.140 -6.084 0.512 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.146 -6.343 2.387 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.059 -7.112 0.405 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.062 -7.236 1.345 1.00 0.17 C ATOM 0 H PHE A 171 3.816 -1.086 1.270 1.00 0.16 H new ATOM 0 HA PHE A 171 4.769 -2.848 3.408 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.321 -4.388 2.212 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.846 -3.784 0.653 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.311 -4.629 3.326 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.358 -5.991 -0.227 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.932 -6.445 3.120 1.00 0.15 H new ATOM 0 HE2 PHE A 171 5.992 -7.816 -0.412 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.782 -8.036 1.262 1.00 0.17 H new ATOM 2687 N ILE A 172 6.919 -1.733 2.672 1.00 0.10 N ATOM 2688 CA ILE A 172 8.268 -1.364 2.215 1.00 0.10 C ATOM 2689 C ILE A 172 9.368 -2.354 2.759 1.00 0.08 C ATOM 2690 O ILE A 172 9.551 -2.552 3.997 1.00 0.08 O ATOM 2691 CB ILE A 172 8.690 0.184 2.361 1.00 0.13 C ATOM 2692 CG1 ILE A 172 10.003 0.442 1.504 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.853 0.672 3.841 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.233 1.861 0.970 1.00 0.31 C ATOM 0 H ILE A 172 6.743 -1.591 3.667 1.00 0.10 H new ATOM 0 HA ILE A 172 8.206 -1.483 1.133 1.00 0.10 H new ATOM 0 HB ILE A 172 7.867 0.784 1.973 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.863 0.170 2.116 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.989 -0.239 0.653 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.138 1.724 3.848 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.909 0.548 4.371 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.626 0.084 4.335 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.165 1.891 0.405 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.405 2.144 0.320 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.293 2.559 1.805 1.00 0.31 H new ATOM 2706 N MET A 173 10.093 -2.927 1.796 1.00 0.09 N ATOM 2707 CA MET A 173 11.182 -3.880 2.067 1.00 0.11 C ATOM 2708 C MET A 173 12.508 -3.402 1.420 1.00 0.13 C ATOM 2709 O MET A 173 12.495 -2.550 0.520 1.00 0.21 O ATOM 2710 CB MET A 173 10.784 -5.309 1.615 1.00 0.15 C ATOM 2711 CG MET A 173 10.104 -5.391 0.228 1.00 0.17 C ATOM 2712 SD MET A 173 11.275 -5.385 -1.145 1.00 0.44 S ATOM 2713 CE MET A 173 12.194 -6.895 -0.857 1.00 0.26 C ATOM 0 H MET A 173 9.945 -2.746 0.803 1.00 0.09 H new ATOM 0 HA MET A 173 11.352 -3.921 3.143 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.678 -5.932 1.602 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.110 -5.735 2.359 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.503 -6.299 0.179 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.420 -4.550 0.116 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.612 -7.251 -1.798 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.002 -6.700 -0.151 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.528 -7.653 -0.446 1.00 0.26 H new ATOM 2723 N LYS A 174 13.658 -3.957 1.855 1.00 0.12 N ATOM 2724 CA LYS A 174 14.947 -3.458 1.348 1.00 0.19 C ATOM 2725 C LYS A 174 15.898 -4.453 0.629 1.00 0.16 C ATOM 2726 O LYS A 174 15.839 -5.680 0.754 1.00 0.17 O ATOM 2727 CB LYS A 174 15.717 -2.745 2.504 1.00 0.38 C ATOM 2728 CG LYS A 174 16.476 -3.696 3.464 1.00 0.54 C ATOM 2729 CD LYS A 174 17.198 -2.968 4.630 1.00 0.57 C ATOM 2730 CE LYS A 174 18.492 -2.249 4.201 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.261 -1.775 5.382 1.00 1.26 N ATOM 0 H LYS A 174 13.720 -4.720 2.529 1.00 0.12 H new ATOM 0 HA LYS A 174 14.650 -2.783 0.545 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.431 -2.046 2.069 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.007 -2.156 3.085 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.771 -4.416 3.879 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.211 -4.263 2.892 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.517 -2.240 5.070 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.436 -3.693 5.408 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.109 -2.926 3.610 1.00 0.49 H new ATOM 0 HE3 LYS A 174 18.245 -1.402 3.561 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.127 -1.295 5.063 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 18.679 -1.111 5.931 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.516 -2.587 5.979 1.00 1.26 H new ATOM 2745 N GLY A 175 16.775 -3.784 -0.123 1.00 0.14 N ATOM 2746 CA GLY A 175 17.912 -4.327 -0.872 1.00 0.15 C ATOM 2747 C GLY A 175 17.795 -4.457 -2.403 1.00 0.13 C ATOM 2748 O GLY A 175 18.701 -3.932 -3.067 1.00 0.17 O ATOM 0 H GLY A 175 16.704 -2.772 -0.233 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.778 -3.700 -0.659 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.129 -5.317 -0.472 1.00 0.15 H new ATOM 2752 N THR A 176 16.627 -4.919 -2.971 1.00 0.11 N ATOM 2753 CA THR A 176 16.445 -5.095 -4.465 1.00 0.10 C ATOM 2754 C THR A 176 15.016 -5.559 -4.842 1.00 0.10 C ATOM 2755 O THR A 176 14.330 -6.230 -4.061 1.00 0.13 O ATOM 2756 CB THR A 176 17.423 -6.137 -5.156 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.950 -7.107 -4.228 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.590 -5.470 -5.920 1.00 0.15 C ATOM 0 H THR A 176 15.804 -5.174 -2.425 1.00 0.11 H new ATOM 0 HA THR A 176 16.667 -4.093 -4.832 1.00 0.10 H new ATOM 0 HB THR A 176 16.796 -6.653 -5.883 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.544 -7.725 -4.703 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.219 -6.240 -6.367 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.191 -4.826 -6.704 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.184 -4.873 -5.228 1.00 0.15 H new ATOM 2766 N ALA A 177 14.590 -5.206 -6.099 1.00 0.10 N ATOM 2767 CA ALA A 177 13.263 -5.587 -6.690 1.00 0.11 C ATOM 2768 C ALA A 177 13.186 -7.068 -7.236 1.00 0.15 C ATOM 2769 O ALA A 177 12.089 -7.585 -7.503 1.00 0.17 O ATOM 2770 CB ALA A 177 12.901 -4.573 -7.801 1.00 0.15 C ATOM 0 H ALA A 177 15.161 -4.647 -6.732 1.00 0.10 H new ATOM 0 HA ALA A 177 12.536 -5.553 -5.879 1.00 0.11 H new ATOM 0 HB1 ALA A 177 11.939 -4.840 -8.238 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.841 -3.572 -7.374 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.668 -4.592 -8.575 1.00 0.15 H new ATOM 2776 N ASP A 178 14.356 -7.753 -7.373 1.00 0.19 N ATOM 2777 CA ASP A 178 14.433 -9.171 -7.842 1.00 0.24 C ATOM 2778 C ASP A 178 14.320 -10.241 -6.694 1.00 0.26 C ATOM 2779 O ASP A 178 14.448 -11.440 -6.955 1.00 0.31 O ATOM 2780 CB ASP A 178 15.745 -9.391 -8.612 1.00 0.31 C ATOM 2781 CG ASP A 178 15.611 -9.147 -10.113 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.797 -7.990 -10.546 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.320 -10.114 -10.849 1.00 0.55 O ATOM 0 H ASP A 178 15.267 -7.344 -7.164 1.00 0.19 H new ATOM 0 HA ASP A 178 13.566 -9.319 -8.486 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.510 -8.727 -8.210 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.089 -10.412 -8.446 1.00 0.31 H new ATOM 2788 N ASP A 179 14.073 -9.790 -5.437 1.00 0.24 N ATOM 2789 CA ASP A 179 13.949 -10.687 -4.257 1.00 0.31 C ATOM 2790 C ASP A 179 12.490 -10.854 -3.722 1.00 0.32 C ATOM 2791 O ASP A 179 12.245 -11.745 -2.908 1.00 0.44 O ATOM 2792 CB ASP A 179 14.848 -10.179 -3.119 1.00 0.37 C ATOM 2793 CG ASP A 179 16.194 -10.893 -3.058 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.145 -10.426 -3.720 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.292 -11.918 -2.350 1.00 0.60 O ATOM 0 H ASP A 179 13.955 -8.802 -5.213 1.00 0.24 H new ATOM 0 HA ASP A 179 14.265 -11.672 -4.602 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.016 -9.110 -3.246 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.330 -10.310 -2.169 1.00 0.37 H new ATOM 2800 N VAL A 180 11.538 -9.986 -4.174 1.00 0.24 N ATOM 2801 CA VAL A 180 10.074 -10.038 -3.772 1.00 0.29 C ATOM 2802 C VAL A 180 9.275 -11.201 -4.496 1.00 0.50 C ATOM 2803 O VAL A 180 8.906 -11.029 -5.664 1.00 0.95 O ATOM 2804 CB VAL A 180 9.237 -8.679 -4.021 1.00 0.27 C ATOM 2805 CG1 VAL A 180 8.769 -8.051 -2.695 1.00 0.48 C ATOM 2806 CG2 VAL A 180 9.947 -7.574 -4.855 1.00 0.50 C ATOM 0 H VAL A 180 11.749 -9.229 -4.825 1.00 0.24 H new ATOM 0 HA VAL A 180 10.145 -10.212 -2.698 1.00 0.29 H new ATOM 0 HB VAL A 180 8.396 -9.026 -4.622 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.209 -7.139 -2.902 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.130 -8.756 -2.164 1.00 0.48 H new ATOM 0 HG13 VAL A 180 9.636 -7.813 -2.079 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.287 -6.712 -4.954 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.865 -7.272 -4.351 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.187 -7.963 -5.845 1.00 0.50 H new