USER MOD reduce.3.24.130724 H: found=0, std=0, add=1219, rem=0, adj=33 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 172:sc= -0.0394 USER MOD Set 2.1: A 96 GLN : amide:sc= -1.81! C(o=-1.8!,f=-4.3!) USER MOD Set 2.2: A 99 GLN : amide:sc= 0 X(o=-1.8,f=-2) USER MOD Set 2.3: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 15 ASN : amide:sc= -0.28 K(o=-0.38,f=-4.1!) USER MOD Set 3.2: A 63 THR OG1 : rot -47:sc= -0.105 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= -0.03 (180deg=-0.18) USER MOD Single : A 20 SER OG : rot 180:sc= 0.107 USER MOD Single : A 21 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.61) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.155 X(o=-0.16,f=0) USER MOD Single : A 29 TYR OH : rot 130:sc= -0.133 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 132:sc= 0.625 USER MOD Single : A 54 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.86) USER MOD Single : A 58 GLN :FLIP amide:sc= -1.43 F(o=-2.1,f=-1.4) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.294 X(o=-0.29,f=0) 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 83 TYR OH : rot 31:sc= -0.541 USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= -0.0155 (180deg=-0.688) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0671 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= -3.76! C(o=-3.8!,f=-5.2!) USER MOD Single : A 109 HIS : no HE2:sc= 0.00329 X(o=0.0033,f=-0.094) 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 X(o=0,f=-0.012) 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= -0.0447 X(o=-0.045,f=-0.12) USER MOD Single : A 134 SER OG : rot 180:sc=-0.00736 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -162:sc= -0.0222 (180deg=-0.26) USER MOD Single : A 139 LYS NZ :NH3+ 143:sc= -0.0785 (180deg=-0.326) 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) USER MOD Single : A 147 SER OG : rot 27:sc= 0.0201 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 21:sc= 0.141 USER MOD Single : A 159 LYS NZ :NH3+ 174:sc=-0.00189 (180deg=-0.0639) 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 : amide:sc= -2.34! C(o=-2.3!,f=-4.5!) USER MOD Single : A 166 LYS NZ :NH3+ -165:sc= 0.682 (180deg=0.497) USER MOD Single : A 173 MET CE :methyl 154:sc= -0.26 (180deg=-1.05) USER MOD Single : A 174 LYS NZ :NH3+ 172:sc= 0.212 (180deg=0.137) USER MOD Single : A 176 THR OG1 : rot 91:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 55 N LEU A 6 12.447 -13.067 2.846 1.00 0.23 N ATOM 56 CA LEU A 6 11.613 -11.836 2.808 1.00 0.22 C ATOM 57 C LEU A 6 11.501 -11.121 4.197 1.00 0.17 C ATOM 58 O LEU A 6 11.652 -9.890 4.295 1.00 0.16 O ATOM 59 CB LEU A 6 10.223 -12.213 2.241 1.00 0.24 C ATOM 60 CG LEU A 6 9.283 -11.050 1.810 1.00 0.27 C ATOM 61 CD1 LEU A 6 9.933 -10.062 0.839 1.00 0.33 C ATOM 62 CD2 LEU A 6 7.968 -11.549 1.197 1.00 0.35 C ATOM 0 HA LEU A 6 12.098 -11.106 2.160 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.376 -12.859 1.377 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.702 -12.805 2.993 1.00 0.24 H new ATOM 0 HG LEU A 6 9.072 -10.525 2.741 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.218 -9.280 0.583 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.809 -9.614 1.308 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.235 -10.588 -0.067 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.351 -10.696 0.915 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.183 -12.149 0.313 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.434 -12.157 1.927 1.00 0.35 H new ATOM 74 N ALA A 7 11.225 -11.933 5.260 1.00 0.17 N ATOM 75 CA ALA A 7 11.128 -11.502 6.704 1.00 0.16 C ATOM 76 C ALA A 7 12.433 -10.840 7.303 1.00 0.15 C ATOM 77 O ALA A 7 12.355 -10.036 8.244 1.00 0.15 O ATOM 78 CB ALA A 7 10.728 -12.733 7.550 1.00 0.20 C ATOM 0 H ALA A 7 11.058 -12.932 5.142 1.00 0.17 H new ATOM 0 HA ALA A 7 10.377 -10.713 6.740 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.652 -12.445 8.598 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.766 -13.113 7.207 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.484 -13.510 7.441 1.00 0.20 H new ATOM 84 N ASP A 8 13.626 -11.170 6.721 1.00 0.16 N ATOM 85 CA ASP A 8 14.939 -10.605 7.139 1.00 0.18 C ATOM 86 C ASP A 8 15.291 -9.251 6.435 1.00 0.17 C ATOM 87 O ASP A 8 16.253 -8.584 6.828 1.00 0.21 O ATOM 88 CB ASP A 8 16.061 -11.625 6.874 1.00 0.21 C ATOM 89 CG ASP A 8 16.436 -12.436 8.110 1.00 0.26 C ATOM 90 OD1 ASP A 8 15.812 -13.495 8.338 1.00 0.31 O ATOM 91 OD2 ASP A 8 17.354 -12.012 8.843 1.00 0.32 O ATOM 0 H ASP A 8 13.699 -11.834 5.951 1.00 0.16 H new ATOM 0 HA ASP A 8 14.854 -10.395 8.205 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.746 -12.305 6.082 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.944 -11.099 6.510 1.00 0.21 H new ATOM 96 N LYS A 9 14.498 -8.857 5.399 1.00 0.14 N ATOM 97 CA LYS A 9 14.714 -7.595 4.656 1.00 0.14 C ATOM 98 C LYS A 9 13.693 -6.486 5.023 1.00 0.10 C ATOM 99 O LYS A 9 14.019 -5.311 4.852 1.00 0.10 O ATOM 100 CB LYS A 9 14.691 -7.809 3.121 1.00 0.19 C ATOM 101 CG LYS A 9 15.342 -9.123 2.623 1.00 0.32 C ATOM 102 CD LYS A 9 16.882 -9.120 2.749 1.00 0.92 C ATOM 103 CE LYS A 9 17.505 -10.430 2.234 1.00 1.20 C ATOM 104 NZ LYS A 9 17.158 -10.688 0.809 1.00 1.73 N ATOM 0 H LYS A 9 13.703 -9.401 5.064 1.00 0.14 H new ATOM 0 HA LYS A 9 15.706 -7.261 4.961 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.655 -7.786 2.784 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.199 -6.969 2.647 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.938 -9.960 3.192 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.069 -9.285 1.580 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.290 -8.279 2.188 1.00 0.92 H new ATOM 0 HD3 LYS A 9 17.160 -8.972 3.792 1.00 0.92 H new ATOM 0 HE2 LYS A 9 18.589 -10.383 2.341 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.160 -11.262 2.848 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 17.752 -11.459 0.441 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 16.156 -10.959 0.739 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 17.323 -9.827 0.250 1.00 1.73 H new ATOM 118 N VAL A 10 12.445 -6.845 5.512 1.00 0.09 N ATOM 119 CA VAL A 10 11.386 -5.848 5.939 1.00 0.07 C ATOM 120 C VAL A 10 11.859 -4.754 6.995 1.00 0.06 C ATOM 121 O VAL A 10 12.546 -5.060 7.978 1.00 0.09 O ATOM 122 CB VAL A 10 10.033 -6.620 6.381 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.087 -7.382 7.750 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.766 -5.710 6.341 1.00 0.10 C ATOM 0 H VAL A 10 12.152 -7.816 5.619 1.00 0.09 H new ATOM 0 HA VAL A 10 11.170 -5.245 5.057 1.00 0.07 H new ATOM 0 HB VAL A 10 9.955 -7.388 5.612 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.125 -7.859 7.939 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.868 -8.142 7.713 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.305 -6.676 8.551 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.894 -6.287 6.648 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.901 -4.868 7.020 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.617 -5.338 5.327 1.00 0.10 H new ATOM 134 N ILE A 11 11.467 -3.499 6.726 1.00 0.06 N ATOM 135 CA ILE A 11 11.795 -2.371 7.627 1.00 0.07 C ATOM 136 C ILE A 11 10.529 -1.621 8.112 1.00 0.07 C ATOM 137 O ILE A 11 10.543 -1.053 9.208 1.00 0.08 O ATOM 138 CB ILE A 11 12.813 -1.326 7.012 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.472 -0.991 5.517 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.292 -1.822 7.178 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.647 0.484 5.118 1.00 0.16 C ATOM 0 H ILE A 11 10.927 -3.236 5.901 1.00 0.06 H new ATOM 0 HA ILE A 11 12.286 -2.846 8.476 1.00 0.07 H new ATOM 0 HB ILE A 11 12.712 -0.396 7.571 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.103 -1.602 4.872 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.440 -1.283 5.323 1.00 0.10 H new ATOM 0 HG21 ILE A 11 14.973 -1.087 6.748 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.517 -1.948 8.237 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.416 -2.775 6.665 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.386 0.610 4.067 1.00 0.16 H new ATOM 0 HD12 ILE A 11 11.995 1.107 5.731 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.684 0.782 5.273 1.00 0.16 H new ATOM 153 N TRP A 12 9.434 -1.621 7.301 1.00 0.06 N ATOM 154 CA TRP A 12 8.192 -0.910 7.668 1.00 0.07 C ATOM 155 C TRP A 12 6.980 -1.399 6.819 1.00 0.08 C ATOM 156 O TRP A 12 6.973 -1.256 5.606 1.00 0.10 O ATOM 157 CB TRP A 12 8.476 0.600 7.488 1.00 0.10 C ATOM 158 CG TRP A 12 7.424 1.540 7.986 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.346 2.160 9.201 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.312 1.985 7.233 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.239 2.972 9.237 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.587 2.871 8.032 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.872 1.702 5.947 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.434 3.485 7.575 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.743 2.294 5.485 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.023 3.184 6.291 1.00 0.54 C ATOM 0 H TRP A 12 9.393 -2.101 6.402 1.00 0.06 H new ATOM 0 HA TRP A 12 7.912 -1.116 8.701 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.411 0.834 7.996 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.632 0.794 6.427 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.049 2.031 10.011 1.00 0.19 H new ATOM 0 HE1 TRP A 12 5.950 3.552 10.025 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.424 1.017 5.321 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.878 4.171 8.197 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.396 2.077 4.486 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.128 3.645 5.901 1.00 0.54 H new ATOM 177 N ALA A 13 5.940 -2.003 7.465 1.00 0.09 N ATOM 178 CA ALA A 13 4.716 -2.495 6.742 1.00 0.12 C ATOM 179 C ALA A 13 3.415 -2.130 7.505 1.00 0.16 C ATOM 180 O ALA A 13 3.305 -2.348 8.726 1.00 0.19 O ATOM 181 CB ALA A 13 4.770 -4.024 6.465 1.00 0.14 C ATOM 0 H ALA A 13 5.919 -2.162 8.472 1.00 0.09 H new ATOM 0 HA ALA A 13 4.704 -1.984 5.779 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.865 -4.331 5.942 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.640 -4.252 5.849 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.843 -4.563 7.410 1.00 0.14 H new ATOM 187 N VAL A 14 2.422 -1.542 6.778 1.00 0.20 N ATOM 188 CA VAL A 14 1.125 -1.114 7.404 1.00 0.26 C ATOM 189 C VAL A 14 -0.115 -1.503 6.522 1.00 0.27 C ATOM 190 O VAL A 14 -0.169 -1.195 5.336 1.00 0.28 O ATOM 191 CB VAL A 14 1.059 0.483 7.758 1.00 0.34 C ATOM 192 CG1 VAL A 14 -0.213 0.931 8.543 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.242 0.989 8.594 1.00 1.05 C ATOM 0 H VAL A 14 2.487 -1.354 5.778 1.00 0.20 H new ATOM 0 HA VAL A 14 1.084 -1.661 8.346 1.00 0.26 H new ATOM 0 HB VAL A 14 1.064 0.915 6.757 1.00 0.34 H new ATOM 0 HG11 VAL A 14 -0.166 2.004 8.731 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -1.102 0.704 7.955 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.261 0.398 9.493 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.123 2.055 8.785 1.00 1.05 H new ATOM 0 HG22 VAL A 14 2.274 0.452 9.542 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.171 0.820 8.050 1.00 1.05 H new ATOM 203 N ASN A 15 -1.132 -2.134 7.165 1.00 0.33 N ATOM 204 CA ASN A 15 -2.419 -2.439 6.496 1.00 0.43 C ATOM 205 C ASN A 15 -3.524 -1.611 7.195 1.00 0.46 C ATOM 206 O ASN A 15 -4.029 -1.992 8.247 1.00 0.55 O ATOM 207 CB ASN A 15 -2.752 -3.987 6.429 1.00 0.56 C ATOM 208 CG ASN A 15 -3.962 -4.347 5.551 1.00 1.40 C ATOM 209 OD1 ASN A 15 -3.966 -4.130 4.355 1.00 2.05 O ATOM 210 ND2 ASN A 15 -5.003 -4.885 6.177 1.00 2.11 N ATOM 0 H ASN A 15 -1.084 -2.438 8.137 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.351 -2.151 5.447 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -1.877 -4.517 6.053 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -2.934 -4.350 7.441 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.842 -5.131 5.652 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -4.963 -5.052 7.182 1.00 2.11 H new ATOM 217 N ALA A 16 -3.914 -0.471 6.550 1.00 0.47 N ATOM 218 CA ALA A 16 -4.948 0.451 7.087 1.00 0.54 C ATOM 219 C ALA A 16 -6.386 -0.113 6.876 1.00 0.58 C ATOM 220 O ALA A 16 -6.927 -0.169 5.724 1.00 0.63 O ATOM 221 CB ALA A 16 -4.789 1.871 6.491 1.00 0.59 C ATOM 0 H ALA A 16 -3.523 -0.173 5.656 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.797 0.530 8.164 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.558 2.526 6.901 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.805 2.264 6.745 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.892 1.824 5.407 1.00 0.59 H new ATOM 227 N GLY A 17 -6.912 -0.609 8.028 1.00 0.58 N ATOM 228 CA GLY A 17 -8.225 -1.235 8.115 1.00 0.61 C ATOM 229 C GLY A 17 -8.505 -1.950 9.436 1.00 0.62 C ATOM 230 O GLY A 17 -9.553 -1.727 10.046 1.00 0.71 O ATOM 0 H GLY A 17 -6.419 -0.577 8.920 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.987 -0.471 7.962 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.325 -1.953 7.301 1.00 0.61 H new ATOM 234 N GLY A 18 -7.560 -2.810 9.879 1.00 0.72 N ATOM 235 CA GLY A 18 -7.743 -3.588 11.112 1.00 0.73 C ATOM 236 C GLY A 18 -6.753 -3.251 12.226 1.00 0.68 C ATOM 237 O GLY A 18 -6.754 -2.124 12.735 1.00 0.80 O ATOM 0 H GLY A 18 -6.674 -2.978 9.402 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.756 -3.426 11.482 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.656 -4.648 10.874 1.00 0.73 H new ATOM 241 N GLU A 19 -5.915 -4.237 12.616 1.00 0.59 N ATOM 242 CA GLU A 19 -4.906 -4.053 13.681 1.00 0.60 C ATOM 243 C GLU A 19 -3.895 -5.226 13.745 1.00 0.54 C ATOM 244 O GLU A 19 -4.285 -6.371 13.988 1.00 0.65 O ATOM 245 CB GLU A 19 -5.587 -3.871 15.076 1.00 0.77 C ATOM 246 CG GLU A 19 -6.303 -5.103 15.627 1.00 1.43 C ATOM 247 CD GLU A 19 -6.952 -4.855 16.977 1.00 1.39 C ATOM 248 OE1 GLU A 19 -6.237 -4.901 18.000 1.00 1.63 O ATOM 249 OE2 GLU A 19 -8.177 -4.614 17.010 1.00 1.50 O ATOM 0 H GLU A 19 -5.918 -5.171 12.207 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.354 -3.147 13.428 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -4.827 -3.563 15.794 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -6.307 -3.056 15.005 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -7.065 -5.422 14.916 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -5.589 -5.922 15.718 1.00 1.43 H new ATOM 256 N SER A 20 -2.583 -4.899 13.524 1.00 0.48 N ATOM 257 CA SER A 20 -1.383 -5.836 13.580 1.00 0.45 C ATOM 258 C SER A 20 -1.515 -7.262 12.937 1.00 0.43 C ATOM 259 O SER A 20 -2.230 -8.118 13.471 1.00 0.51 O ATOM 260 CB SER A 20 -0.929 -6.003 15.040 1.00 0.52 C ATOM 261 OG SER A 20 -0.090 -4.936 15.450 1.00 1.00 O ATOM 0 H SER A 20 -2.309 -3.944 13.293 1.00 0.48 H new ATOM 0 HA SER A 20 -0.656 -5.329 12.946 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.802 -6.051 15.690 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.397 -6.948 15.151 1.00 0.52 H new ATOM 0 HG SER A 20 0.180 -5.072 16.382 1.00 1.00 H new ATOM 267 N HIS A 21 -0.793 -7.529 11.826 1.00 0.39 N ATOM 268 CA HIS A 21 -0.875 -8.875 11.187 1.00 0.40 C ATOM 269 C HIS A 21 0.492 -9.435 10.738 1.00 0.40 C ATOM 270 O HIS A 21 1.313 -8.744 10.153 1.00 0.41 O ATOM 271 CB HIS A 21 -1.879 -8.861 9.989 1.00 0.43 C ATOM 272 CG HIS A 21 -1.950 -10.144 9.164 1.00 0.41 C ATOM 273 ND1 HIS A 21 -2.880 -11.140 9.375 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.183 -10.582 8.125 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.670 -12.119 8.504 1.00 0.40 C ATOM 276 NE2 HIS A 21 -1.651 -11.799 7.749 1.00 0.43 N ATOM 0 H HIS A 21 -0.170 -6.867 11.364 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.242 -9.549 11.961 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -2.875 -8.646 10.377 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -1.611 -8.039 9.325 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -0.352 -10.055 7.681 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.246 -13.030 8.431 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.269 -12.373 6.997 1.00 0.43 H new ATOM 285 N VAL A 22 0.663 -10.754 10.972 1.00 0.41 N ATOM 286 CA VAL A 22 1.872 -11.525 10.567 1.00 0.43 C ATOM 287 C VAL A 22 1.454 -12.414 9.346 1.00 0.44 C ATOM 288 O VAL A 22 0.663 -13.356 9.491 1.00 0.48 O ATOM 289 CB VAL A 22 2.477 -12.362 11.814 1.00 0.49 C ATOM 290 CG1 VAL A 22 3.479 -13.512 11.471 1.00 1.38 C ATOM 291 CG2 VAL A 22 3.217 -11.445 12.795 1.00 1.39 C ATOM 0 H VAL A 22 -0.035 -11.323 11.450 1.00 0.41 H new ATOM 0 HA VAL A 22 2.688 -10.869 10.263 1.00 0.43 H new ATOM 0 HB VAL A 22 1.579 -12.816 12.233 1.00 0.49 H new ATOM 0 HG11 VAL A 22 3.810 -13.993 12.392 1.00 1.38 H new ATOM 0 HG12 VAL A 22 2.986 -14.247 10.835 1.00 1.38 H new ATOM 0 HG13 VAL A 22 4.341 -13.099 10.947 1.00 1.38 H new ATOM 0 HG21 VAL A 22 3.611 -12.038 13.621 1.00 1.39 H new ATOM 0 HG22 VAL A 22 4.039 -10.949 12.280 1.00 1.39 H new ATOM 0 HG23 VAL A 22 2.527 -10.696 13.183 1.00 1.39 H new ATOM 301 N ASP A 23 2.001 -12.091 8.155 1.00 0.41 N ATOM 302 CA ASP A 23 1.688 -12.820 6.909 1.00 0.44 C ATOM 303 C ASP A 23 2.639 -14.030 6.663 1.00 0.43 C ATOM 304 O ASP A 23 3.743 -14.079 7.215 1.00 0.41 O ATOM 305 CB ASP A 23 1.695 -11.816 5.739 1.00 0.49 C ATOM 306 CG ASP A 23 0.666 -12.127 4.669 1.00 1.04 C ATOM 307 OD1 ASP A 23 -0.529 -11.847 4.899 1.00 1.85 O ATOM 308 OD2 ASP A 23 1.058 -12.642 3.608 1.00 1.46 O ATOM 0 H ASP A 23 2.665 -11.326 8.031 1.00 0.41 H new ATOM 0 HA ASP A 23 0.696 -13.262 6.997 1.00 0.44 H new ATOM 0 HB2 ASP A 23 1.511 -10.815 6.129 1.00 0.49 H new ATOM 0 HB3 ASP A 23 2.686 -11.805 5.286 1.00 0.49 H new ATOM 313 N VAL A 24 2.173 -14.935 5.742 1.00 0.47 N ATOM 314 CA VAL A 24 2.797 -16.276 5.327 1.00 0.50 C ATOM 315 C VAL A 24 4.341 -16.347 5.088 1.00 0.47 C ATOM 316 O VAL A 24 4.953 -17.377 5.386 1.00 0.51 O ATOM 317 CB VAL A 24 2.061 -16.972 4.072 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.855 -17.825 4.508 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.573 -15.995 2.958 1.00 0.58 C ATOM 0 H VAL A 24 1.308 -14.756 5.232 1.00 0.47 H new ATOM 0 HA VAL A 24 2.623 -16.829 6.250 1.00 0.50 H new ATOM 0 HB VAL A 24 2.849 -17.593 3.645 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.391 -18.274 3.630 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.191 -18.612 5.183 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.129 -17.194 5.020 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.093 -16.563 2.161 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.859 -15.288 3.381 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.426 -15.451 2.552 1.00 0.58 H new ATOM 329 N HIS A 25 4.948 -15.271 4.563 1.00 0.42 N ATOM 330 CA HIS A 25 6.419 -15.210 4.356 1.00 0.40 C ATOM 331 C HIS A 25 7.150 -14.610 5.604 1.00 0.36 C ATOM 332 O HIS A 25 8.363 -14.768 5.765 1.00 0.39 O ATOM 333 CB HIS A 25 6.753 -14.366 3.117 1.00 0.38 C ATOM 334 CG HIS A 25 5.972 -14.726 1.878 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.300 -15.788 1.061 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.876 -14.152 1.322 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.441 -15.850 0.057 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.569 -14.869 0.195 1.00 0.51 N ATOM 0 H HIS A 25 4.451 -14.429 4.272 1.00 0.42 H new ATOM 0 HA HIS A 25 6.769 -16.232 4.208 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.574 -13.316 3.350 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.817 -14.467 2.901 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.344 -13.290 1.698 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.451 -16.579 -0.740 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.791 -14.675 -0.436 1.00 0.51 H new ATOM 347 N GLY A 26 6.359 -13.927 6.470 1.00 0.34 N ATOM 348 CA GLY A 26 6.830 -13.309 7.699 1.00 0.32 C ATOM 349 C GLY A 26 6.827 -11.785 7.660 1.00 0.27 C ATOM 350 O GLY A 26 7.761 -11.144 8.148 1.00 0.26 O ATOM 0 H GLY A 26 5.359 -13.798 6.315 1.00 0.34 H new ATOM 0 HA2 GLY A 26 6.204 -13.643 8.526 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.843 -13.656 7.905 1.00 0.32 H new ATOM 354 N ILE A 27 5.750 -11.203 7.088 1.00 0.26 N ATOM 355 CA ILE A 27 5.616 -9.732 6.974 1.00 0.23 C ATOM 356 C ILE A 27 4.560 -9.223 8.016 1.00 0.26 C ATOM 357 O ILE A 27 3.391 -9.599 7.971 1.00 0.33 O ATOM 358 CB ILE A 27 5.344 -9.320 5.442 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.575 -9.637 4.496 1.00 0.18 C ATOM 360 CG2 ILE A 27 4.930 -7.829 5.184 1.00 0.26 C ATOM 361 CD1 ILE A 27 7.990 -9.250 4.954 1.00 0.55 C ATOM 0 H ILE A 27 4.964 -11.725 6.700 1.00 0.26 H new ATOM 0 HA ILE A 27 6.544 -9.223 7.234 1.00 0.23 H new ATOM 0 HB ILE A 27 4.483 -9.944 5.202 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.574 -10.710 4.304 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.392 -9.142 3.542 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.775 -7.674 4.116 1.00 0.26 H new ATOM 0 HG22 ILE A 27 4.007 -7.610 5.721 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.720 -7.166 5.536 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.711 -9.538 4.189 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.039 -8.173 5.112 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.224 -9.764 5.886 1.00 0.55 H new ATOM 373 N HIS A 28 5.005 -8.311 8.896 1.00 0.25 N ATOM 374 CA HIS A 28 4.166 -7.801 9.993 1.00 0.30 C ATOM 375 C HIS A 28 3.719 -6.321 9.854 1.00 0.28 C ATOM 376 O HIS A 28 4.524 -5.425 9.585 1.00 0.28 O ATOM 377 CB HIS A 28 4.960 -7.978 11.304 1.00 0.40 C ATOM 378 CG HIS A 28 4.171 -7.979 12.594 1.00 0.63 C ATOM 379 ND1 HIS A 28 4.725 -8.377 13.791 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.882 -7.656 12.876 1.00 0.96 C ATOM 381 CE1 HIS A 28 3.816 -8.305 14.745 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.691 -7.869 14.217 1.00 1.34 N ATOM 0 H HIS A 28 5.943 -7.911 8.869 1.00 0.25 H new ATOM 0 HA HIS A 28 3.239 -8.374 9.976 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.509 -8.918 11.243 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.700 -7.180 11.361 1.00 0.40 H new ATOM 0 HD2 HIS A 28 2.144 -7.298 12.174 1.00 0.96 H new ATOM 0 HE1 HIS A 28 3.969 -8.560 15.783 1.00 1.30 H new ATOM 0 HE2 HIS A 28 1.819 -7.715 14.723 1.00 1.34 H new ATOM 391 N TYR A 29 2.397 -6.104 10.086 1.00 0.33 N ATOM 392 CA TYR A 29 1.764 -4.757 10.106 1.00 0.38 C ATOM 393 C TYR A 29 1.637 -4.270 11.579 1.00 0.45 C ATOM 394 O TYR A 29 1.238 -5.030 12.469 1.00 0.46 O ATOM 395 CB TYR A 29 0.374 -4.781 9.335 1.00 0.45 C ATOM 396 CG TYR A 29 -0.833 -3.985 9.935 1.00 0.98 C ATOM 397 CD1 TYR A 29 -0.705 -2.650 10.342 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.106 -4.559 10.053 1.00 1.34 C ATOM 399 CE1 TYR A 29 -1.768 -1.935 10.842 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.178 -3.828 10.546 1.00 1.91 C ATOM 401 CZ TYR A 29 -2.992 -2.519 10.936 1.00 2.21 C ATOM 402 OH TYR A 29 -4.040 -1.781 11.416 1.00 2.79 O ATOM 0 H TYR A 29 1.738 -6.861 10.265 1.00 0.33 H new ATOM 0 HA TYR A 29 2.391 -4.040 9.577 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.549 -4.406 8.327 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.068 -5.823 9.239 1.00 0.45 H new ATOM 0 HD1 TYR A 29 0.258 -2.168 10.260 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -2.255 -5.586 9.756 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -1.631 -0.912 11.159 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.154 -4.283 10.624 1.00 1.91 H new ATOM 0 HH TYR A 29 -4.802 -1.859 10.805 1.00 2.79 H new ATOM 412 N ARG A 30 1.944 -2.971 11.789 1.00 0.54 N ATOM 413 CA ARG A 30 1.906 -2.327 13.121 1.00 0.63 C ATOM 414 C ARG A 30 0.648 -1.437 13.346 1.00 0.91 C ATOM 415 O ARG A 30 0.566 -0.315 12.836 1.00 1.87 O ATOM 416 CB ARG A 30 3.198 -1.488 13.330 1.00 0.72 C ATOM 417 CG ARG A 30 3.502 -0.497 12.179 1.00 0.68 C ATOM 418 CD ARG A 30 4.724 0.393 12.451 1.00 0.87 C ATOM 419 NE ARG A 30 4.525 1.259 13.614 1.00 1.70 N ATOM 420 CZ ARG A 30 5.416 2.155 14.032 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.562 2.308 13.384 1.00 1.93 N ATOM 422 NH2 ARG A 30 5.159 2.897 15.099 1.00 3.00 N ATOM 0 H ARG A 30 2.225 -2.339 11.039 1.00 0.54 H new ATOM 0 HA ARG A 30 1.848 -3.129 13.857 1.00 0.63 H new ATOM 0 HB2 ARG A 30 3.109 -0.929 14.262 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.044 -2.166 13.444 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.668 -1.058 11.260 1.00 0.68 H new ATOM 0 HG3 ARG A 30 2.630 0.136 12.014 1.00 0.68 H new ATOM 0 HD2 ARG A 30 5.601 -0.235 12.612 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.928 1.006 11.573 1.00 0.87 H new ATOM 0 HE ARG A 30 3.652 1.171 14.135 1.00 1.70 H new ATOM 0 HH11 ARG A 30 6.763 1.738 12.562 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.243 2.996 13.707 1.00 1.93 H new ATOM 0 HH21 ARG A 30 4.278 2.782 15.600 1.00 3.00 H new ATOM 0 HH22 ARG A 30 5.842 3.584 15.419 1.00 3.00 H new ATOM 436 N LYS A 31 -0.345 -2.016 14.089 1.00 0.57 N ATOM 437 CA LYS A 31 -1.663 -1.413 14.536 1.00 0.59 C ATOM 438 C LYS A 31 -1.745 0.137 14.757 1.00 0.64 C ATOM 439 O LYS A 31 -1.093 0.674 15.659 1.00 0.79 O ATOM 440 CB LYS A 31 -2.040 -2.139 15.865 1.00 0.73 C ATOM 441 CG LYS A 31 -3.183 -1.492 16.694 1.00 1.15 C ATOM 442 CD LYS A 31 -3.501 -2.257 18.011 1.00 1.44 C ATOM 443 CE LYS A 31 -2.579 -1.867 19.181 1.00 1.70 C ATOM 444 NZ LYS A 31 -2.936 -2.603 20.425 1.00 2.30 N ATOM 0 H LYS A 31 -0.250 -2.977 14.418 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.350 -1.563 13.703 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -2.326 -3.164 15.628 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -1.150 -2.193 16.491 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.910 -0.465 16.936 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -4.084 -1.446 16.083 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -4.536 -2.065 18.294 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -3.414 -3.328 17.831 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -1.543 -2.079 18.916 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -2.649 -0.794 19.359 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -2.296 -2.317 21.193 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -3.917 -2.381 20.691 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -2.845 -3.626 20.261 1.00 2.30 H new ATOM 458 N ASP A 32 -2.590 0.809 13.906 1.00 0.61 N ATOM 459 CA ASP A 32 -2.904 2.304 13.936 1.00 0.72 C ATOM 460 C ASP A 32 -1.701 3.286 14.192 1.00 0.75 C ATOM 461 O ASP A 32 -1.566 3.819 15.301 1.00 1.00 O ATOM 462 CB ASP A 32 -3.995 2.563 14.987 1.00 0.86 C ATOM 463 CG ASP A 32 -5.389 2.667 14.391 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.874 1.661 13.833 1.00 1.01 O ATOM 465 OD2 ASP A 32 -5.994 3.756 14.485 1.00 1.17 O ATOM 0 H ASP A 32 -3.089 0.326 13.159 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.224 2.533 12.919 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -3.980 1.758 15.722 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -3.765 3.486 15.520 1.00 0.86 H new ATOM 470 N PRO A 33 -0.808 3.525 13.188 1.00 0.59 N ATOM 471 CA PRO A 33 0.367 4.419 13.360 1.00 0.66 C ATOM 472 C PRO A 33 0.207 5.908 12.924 1.00 0.83 C ATOM 473 O PRO A 33 1.068 6.728 13.257 1.00 1.45 O ATOM 474 CB PRO A 33 1.417 3.712 12.495 1.00 0.59 C ATOM 475 CG PRO A 33 0.631 3.092 11.356 1.00 0.57 C ATOM 476 CD PRO A 33 -0.806 2.883 11.853 1.00 0.49 C ATOM 0 HA PRO A 33 0.597 4.538 14.419 1.00 0.66 H new ATOM 0 HB2 PRO A 33 2.162 4.416 12.124 1.00 0.59 H new ATOM 0 HB3 PRO A 33 1.952 2.953 13.065 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.644 3.742 10.481 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.075 2.143 11.055 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.533 3.345 11.185 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -1.059 1.825 11.916 1.00 0.49 H new ATOM 715 N PRO A 49 -14.156 -11.273 0.232 1.00 0.82 N ATOM 716 CA PRO A 49 -12.698 -11.603 0.033 1.00 0.89 C ATOM 717 C PRO A 49 -12.067 -11.195 -1.313 1.00 0.75 C ATOM 718 O PRO A 49 -12.764 -11.009 -2.315 1.00 0.78 O ATOM 719 CB PRO A 49 -12.670 -13.148 0.109 1.00 1.31 C ATOM 720 CG PRO A 49 -13.923 -13.517 0.840 1.00 1.37 C ATOM 721 CD PRO A 49 -14.951 -12.525 0.358 1.00 1.05 C ATOM 0 HA PRO A 49 -12.120 -11.051 0.774 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.647 -13.593 -0.886 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -11.785 -13.502 0.637 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.225 -14.540 0.617 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -13.786 -13.453 1.919 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.389 -12.825 -0.594 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -15.772 -12.415 1.066 1.00 1.05 H new ATOM 729 N ILE A 50 -10.718 -11.065 -1.299 1.00 0.67 N ATOM 730 CA ILE A 50 -9.916 -10.744 -2.482 1.00 0.60 C ATOM 731 C ILE A 50 -9.572 -12.092 -3.244 1.00 0.64 C ATOM 732 O ILE A 50 -9.153 -13.086 -2.633 1.00 0.69 O ATOM 733 CB ILE A 50 -8.667 -9.779 -2.026 1.00 0.57 C ATOM 734 CG1 ILE A 50 -8.906 -8.301 -2.466 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.253 -10.169 -2.544 1.00 0.59 C ATOM 736 CD1 ILE A 50 -9.906 -7.499 -1.649 1.00 0.59 C ATOM 0 H ILE A 50 -10.161 -11.183 -0.453 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.445 -10.150 -3.227 1.00 0.60 H new ATOM 0 HB ILE A 50 -8.662 -9.911 -0.944 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -7.949 -7.779 -2.440 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.239 -8.305 -3.504 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -6.519 -9.454 -2.173 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -6.998 -11.168 -2.189 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.249 -10.159 -3.634 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -9.982 -6.490 -2.055 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -10.882 -7.982 -1.693 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -9.572 -7.449 -0.613 1.00 0.59 H new ATOM 748 N LEU A 51 -9.752 -12.071 -4.577 1.00 0.65 N ATOM 749 CA LEU A 51 -9.553 -13.260 -5.459 1.00 0.71 C ATOM 750 C LEU A 51 -8.092 -13.573 -5.897 1.00 0.78 C ATOM 751 O LEU A 51 -7.851 -14.638 -6.475 1.00 1.26 O ATOM 752 CB LEU A 51 -10.406 -13.067 -6.718 1.00 0.74 C ATOM 753 CG LEU A 51 -11.912 -13.443 -6.613 1.00 0.86 C ATOM 754 CD1 LEU A 51 -12.780 -12.519 -7.467 1.00 1.22 C ATOM 755 CD2 LEU A 51 -12.147 -14.893 -7.035 1.00 1.28 C ATOM 0 H LEU A 51 -10.040 -11.234 -5.084 1.00 0.65 H new ATOM 0 HA LEU A 51 -9.848 -14.115 -4.851 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -10.338 -12.021 -7.017 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -9.964 -13.657 -7.521 1.00 0.74 H new ATOM 0 HG LEU A 51 -12.197 -13.324 -5.568 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -13.826 -12.810 -7.370 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -12.657 -11.490 -7.130 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -12.477 -12.597 -8.511 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -13.208 -15.129 -6.952 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -11.825 -15.028 -8.068 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.576 -15.558 -6.387 1.00 1.28 H new ATOM 767 N ARG A 52 -7.128 -12.669 -5.626 1.00 0.58 N ATOM 768 CA ARG A 52 -5.715 -12.907 -6.006 1.00 0.58 C ATOM 769 C ARG A 52 -4.768 -13.187 -4.797 1.00 0.57 C ATOM 770 O ARG A 52 -3.542 -13.108 -4.943 1.00 0.65 O ATOM 771 CB ARG A 52 -5.165 -11.711 -6.813 1.00 0.57 C ATOM 772 CG ARG A 52 -6.020 -11.301 -8.031 1.00 0.70 C ATOM 773 CD ARG A 52 -5.858 -12.252 -9.230 1.00 0.64 C ATOM 774 NE ARG A 52 -4.476 -12.310 -9.707 1.00 0.87 N ATOM 775 CZ ARG A 52 -4.028 -13.213 -10.578 1.00 1.19 C ATOM 776 NH1 ARG A 52 -4.851 -14.122 -11.082 1.00 1.34 N ATOM 777 NH2 ARG A 52 -2.754 -13.203 -10.946 1.00 1.51 N ATOM 0 H ARG A 52 -7.295 -11.781 -5.153 1.00 0.58 H new ATOM 0 HA ARG A 52 -5.727 -13.811 -6.614 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -5.073 -10.853 -6.147 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -4.160 -11.956 -7.158 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -7.069 -11.272 -7.737 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -5.746 -10.291 -8.336 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -6.184 -13.252 -8.945 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -6.507 -11.924 -10.042 1.00 0.64 H new ATOM 0 HE ARG A 52 -3.816 -11.618 -9.352 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -5.832 -14.132 -10.803 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -4.503 -14.811 -11.749 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -2.118 -12.504 -10.562 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -2.410 -13.894 -11.613 1.00 1.51 H new ATOM 791 N SER A 53 -5.336 -13.526 -3.619 1.00 0.53 N ATOM 792 CA SER A 53 -4.539 -13.809 -2.413 1.00 0.54 C ATOM 793 C SER A 53 -5.092 -15.012 -1.582 1.00 0.57 C ATOM 794 O SER A 53 -6.130 -15.606 -1.906 1.00 0.67 O ATOM 795 CB SER A 53 -4.466 -12.527 -1.550 1.00 0.53 C ATOM 796 OG SER A 53 -3.202 -12.399 -0.922 1.00 1.09 O ATOM 0 H SER A 53 -6.343 -13.609 -3.481 1.00 0.53 H new ATOM 0 HA SER A 53 -3.540 -14.105 -2.732 1.00 0.54 H new ATOM 0 HB2 SER A 53 -4.654 -11.654 -2.175 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.250 -12.551 -0.793 1.00 0.53 H new ATOM 0 HG SER A 53 -2.863 -11.488 -1.051 1.00 1.09 H new ATOM 802 N ASN A 54 -4.361 -15.351 -0.488 1.00 0.59 N ATOM 803 CA ASN A 54 -4.706 -16.464 0.473 1.00 0.64 C ATOM 804 C ASN A 54 -5.645 -15.939 1.643 1.00 0.63 C ATOM 805 O ASN A 54 -5.988 -14.767 1.614 1.00 0.66 O ATOM 806 CB ASN A 54 -3.359 -17.161 0.964 1.00 0.80 C ATOM 807 CG ASN A 54 -2.269 -16.254 1.581 1.00 0.85 C ATOM 808 OD1 ASN A 54 -1.512 -15.607 0.859 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.174 -16.239 2.907 1.00 1.12 N ATOM 0 H ASN A 54 -3.503 -14.861 -0.234 1.00 0.59 H new ATOM 0 HA ASN A 54 -5.296 -17.234 -0.025 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -3.622 -17.919 1.701 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -2.921 -17.682 0.113 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -1.454 -15.677 3.360 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.821 -16.790 3.471 1.00 1.12 H new ATOM 816 N PRO A 55 -6.140 -16.764 2.664 1.00 0.71 N ATOM 817 CA PRO A 55 -7.027 -16.243 3.792 1.00 0.75 C ATOM 818 C PRO A 55 -6.346 -15.215 4.743 1.00 0.74 C ATOM 819 O PRO A 55 -6.918 -14.143 5.055 1.00 0.80 O ATOM 820 CB PRO A 55 -7.401 -17.523 4.568 1.00 0.89 C ATOM 821 CG PRO A 55 -7.233 -18.621 3.557 1.00 0.95 C ATOM 822 CD PRO A 55 -5.991 -18.236 2.780 1.00 0.83 C ATOM 0 HA PRO A 55 -7.871 -15.687 3.384 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -6.751 -17.671 5.431 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -8.423 -17.478 4.943 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -7.114 -19.591 4.041 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -8.102 -18.695 2.904 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.078 -18.513 3.307 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -5.954 -18.720 1.804 1.00 0.83 H new ATOM 830 N GLU A 56 -5.072 -15.520 5.115 1.00 0.71 N ATOM 831 CA GLU A 56 -4.211 -14.653 5.985 1.00 0.73 C ATOM 832 C GLU A 56 -3.781 -13.345 5.260 1.00 0.65 C ATOM 833 O GLU A 56 -3.856 -12.241 5.812 1.00 0.67 O ATOM 834 CB GLU A 56 -2.951 -15.436 6.406 1.00 0.80 C ATOM 835 CG GLU A 56 -3.194 -16.548 7.431 1.00 0.97 C ATOM 836 CD GLU A 56 -1.969 -17.418 7.639 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.148 -17.088 8.521 1.00 1.63 O ATOM 838 OE2 GLU A 56 -1.830 -18.429 6.918 1.00 2.04 O ATOM 0 H GLU A 56 -4.606 -16.378 4.821 1.00 0.71 H new ATOM 0 HA GLU A 56 -4.799 -14.375 6.860 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -2.500 -15.875 5.516 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -2.226 -14.734 6.818 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.487 -16.104 8.382 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -4.026 -17.169 7.099 1.00 0.97 H new ATOM 845 N ASP A 57 -3.415 -13.481 3.971 1.00 0.62 N ATOM 846 CA ASP A 57 -3.042 -12.336 3.133 1.00 0.58 C ATOM 847 C ASP A 57 -4.302 -11.672 2.442 1.00 0.52 C ATOM 848 O ASP A 57 -4.171 -10.677 1.752 1.00 0.53 O ATOM 849 CB ASP A 57 -1.949 -12.798 2.147 1.00 0.60 C ATOM 850 CG ASP A 57 -1.074 -11.693 1.544 1.00 1.08 C ATOM 851 OD1 ASP A 57 -0.832 -10.681 2.234 1.00 1.62 O ATOM 852 OD2 ASP A 57 -0.640 -11.849 0.384 1.00 1.62 O ATOM 0 H ASP A 57 -3.371 -14.379 3.490 1.00 0.62 H new ATOM 0 HA ASP A 57 -2.627 -11.535 3.745 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -1.300 -13.507 2.661 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.429 -13.339 1.331 1.00 0.60 H new ATOM 857 N GLN A 58 -5.526 -12.241 2.695 1.00 0.52 N ATOM 858 CA GLN A 58 -6.842 -11.684 2.257 1.00 0.51 C ATOM 859 C GLN A 58 -7.168 -10.464 3.153 1.00 0.50 C ATOM 860 O GLN A 58 -7.521 -9.401 2.662 1.00 0.49 O ATOM 861 CB GLN A 58 -7.948 -12.759 2.400 1.00 0.60 C ATOM 862 CG GLN A 58 -9.381 -12.283 2.114 1.00 0.84 C ATOM 863 CD GLN A 58 -10.426 -13.220 2.691 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.148 -14.518 2.662 1.00 1.16 O flip ATOM 865 NE2 GLN A 58 -11.483 -12.781 3.145 1.00 1.77 N flip ATOM 0 H GLN A 58 -5.621 -13.112 3.217 1.00 0.52 H new ATOM 0 HA GLN A 58 -6.794 -11.382 1.211 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -7.717 -13.583 1.725 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -7.913 -13.158 3.414 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.520 -11.286 2.532 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -9.526 -12.200 1.037 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.658 -11.776 3.149 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -12.184 -13.422 3.517 1.00 1.77 H new ATOM 874 N VAL A 59 -6.972 -10.657 4.490 1.00 0.52 N ATOM 875 CA VAL A 59 -7.105 -9.573 5.510 1.00 0.54 C ATOM 876 C VAL A 59 -5.896 -8.527 5.399 1.00 0.52 C ATOM 877 O VAL A 59 -6.125 -7.335 5.526 1.00 0.55 O ATOM 878 CB VAL A 59 -7.392 -10.150 7.011 1.00 0.55 C ATOM 879 CG1 VAL A 59 -6.299 -11.049 7.614 1.00 0.80 C ATOM 880 CG2 VAL A 59 -7.685 -9.047 8.044 1.00 0.81 C ATOM 0 H VAL A 59 -6.719 -11.561 4.889 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.004 -8.999 5.285 1.00 0.54 H new ATOM 0 HB VAL A 59 -8.273 -10.765 6.828 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -6.601 -11.370 8.611 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.155 -11.923 6.979 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -5.365 -10.491 7.680 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -7.866 -9.500 9.019 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -6.830 -8.374 8.110 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -8.566 -8.485 7.736 1.00 0.81 H new ATOM 890 N LEU A 60 -4.638 -8.976 5.112 1.00 0.49 N ATOM 891 CA LEU A 60 -3.508 -8.006 4.939 1.00 0.48 C ATOM 892 C LEU A 60 -3.412 -7.376 3.496 1.00 0.49 C ATOM 893 O LEU A 60 -2.550 -6.547 3.231 1.00 0.65 O ATOM 894 CB LEU A 60 -2.159 -8.637 5.353 1.00 0.52 C ATOM 895 CG LEU A 60 -0.922 -7.676 5.374 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.719 -7.017 6.729 1.00 1.15 C ATOM 897 CD2 LEU A 60 0.398 -8.335 4.954 1.00 0.90 C ATOM 0 H LEU A 60 -4.385 -9.958 4.999 1.00 0.49 H new ATOM 0 HA LEU A 60 -3.735 -7.178 5.610 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.274 -9.069 6.347 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -1.942 -9.459 4.671 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.175 -6.923 4.628 1.00 0.71 H new ATOM 0 HD11 LEU A 60 0.151 -6.362 6.688 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -1.602 -6.432 6.985 1.00 1.15 H new ATOM 0 HD13 LEU A 60 -0.560 -7.784 7.487 1.00 1.15 H new ATOM 0 HD21 LEU A 60 1.202 -7.600 4.997 1.00 0.90 H new ATOM 0 HD22 LEU A 60 0.624 -9.160 5.630 1.00 0.90 H new ATOM 0 HD23 LEU A 60 0.307 -8.715 3.936 1.00 0.90 H new ATOM 909 N TYR A 61 -4.292 -7.827 2.600 1.00 0.44 N ATOM 910 CA TYR A 61 -4.458 -7.291 1.223 1.00 0.45 C ATOM 911 C TYR A 61 -5.856 -6.613 1.084 1.00 0.47 C ATOM 912 O TYR A 61 -6.191 -6.062 0.031 1.00 0.52 O ATOM 913 CB TYR A 61 -4.286 -8.402 0.167 1.00 0.44 C ATOM 914 CG TYR A 61 -2.837 -8.671 -0.315 1.00 0.46 C ATOM 915 CD1 TYR A 61 -1.745 -8.351 0.500 1.00 0.70 C ATOM 916 CD2 TYR A 61 -2.550 -9.228 -1.577 1.00 0.76 C ATOM 917 CE1 TYR A 61 -0.441 -8.571 0.082 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.243 -9.448 -1.987 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.236 -9.201 -1.216 1.00 0.72 C ATOM 920 OH TYR A 61 1.096 -9.335 -1.566 1.00 0.88 O ATOM 0 H TYR A 61 -4.931 -8.595 2.805 1.00 0.44 H new ATOM 0 HA TYR A 61 -3.682 -6.546 1.047 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -4.688 -9.329 0.576 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -4.894 -8.147 -0.701 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -1.922 -7.923 1.476 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.363 -9.489 -2.238 1.00 0.76 H new ATOM 0 HE1 TYR A 61 0.397 -8.284 0.700 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.062 -9.837 -2.978 1.00 0.92 H new ATOM 0 HH TYR A 61 1.162 -9.765 -2.444 1.00 0.88 H new ATOM 930 N GLN A 62 -6.650 -6.673 2.187 1.00 0.50 N ATOM 931 CA GLN A 62 -7.975 -6.058 2.285 1.00 0.57 C ATOM 932 C GLN A 62 -8.098 -5.210 3.599 1.00 0.70 C ATOM 933 O GLN A 62 -7.181 -4.447 3.921 1.00 1.33 O ATOM 934 CB GLN A 62 -9.111 -7.121 2.163 1.00 0.57 C ATOM 935 CG GLN A 62 -10.530 -6.542 1.934 1.00 0.75 C ATOM 936 CD GLN A 62 -11.634 -7.516 2.306 1.00 0.77 C ATOM 937 OE1 GLN A 62 -12.692 -7.113 2.788 1.00 1.26 O ATOM 938 NE2 GLN A 62 -11.405 -8.801 2.070 1.00 1.02 N ATOM 0 H GLN A 62 -6.371 -7.160 3.038 1.00 0.50 H new ATOM 0 HA GLN A 62 -8.095 -5.376 1.443 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -8.872 -7.793 1.339 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.123 -7.723 3.071 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -10.644 -5.631 2.521 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -10.638 -6.262 0.886 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -10.514 -9.095 1.669 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -12.120 -9.495 2.289 1.00 1.02 H new ATOM 947 N THR A 63 -9.210 -5.422 4.378 1.00 0.58 N ATOM 948 CA THR A 63 -9.658 -4.626 5.628 1.00 0.62 C ATOM 949 C THR A 63 -9.536 -3.054 5.513 1.00 0.76 C ATOM 950 O THR A 63 -8.441 -2.524 5.342 1.00 1.28 O ATOM 951 CB THR A 63 -9.045 -5.110 6.995 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.845 -5.851 6.828 1.00 0.63 O ATOM 953 CG2 THR A 63 -10.053 -5.944 7.817 1.00 0.60 C ATOM 0 H THR A 63 -9.861 -6.177 4.163 1.00 0.58 H new ATOM 0 HA THR A 63 -10.720 -4.869 5.645 1.00 0.62 H new ATOM 0 HB THR A 63 -8.807 -4.199 7.544 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.969 -6.519 6.122 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.589 -6.257 8.752 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.934 -5.340 8.034 1.00 0.60 H new ATOM 0 HG23 THR A 63 -10.348 -6.824 7.246 1.00 0.60 H new ATOM 961 N GLU A 64 -10.669 -2.323 5.666 1.00 0.57 N ATOM 962 CA GLU A 64 -10.695 -0.834 5.483 1.00 0.60 C ATOM 963 C GLU A 64 -10.906 0.014 6.766 1.00 0.64 C ATOM 964 O GLU A 64 -11.692 -0.333 7.646 1.00 0.69 O ATOM 965 CB GLU A 64 -11.818 -0.486 4.476 1.00 0.67 C ATOM 966 CG GLU A 64 -13.249 -0.825 4.940 1.00 0.84 C ATOM 967 CD GLU A 64 -14.296 -0.456 3.907 1.00 1.07 C ATOM 968 OE1 GLU A 64 -14.589 -1.297 3.031 1.00 1.53 O ATOM 969 OE2 GLU A 64 -14.827 0.674 3.973 1.00 1.50 O ATOM 0 H GLU A 64 -11.572 -2.728 5.913 1.00 0.57 H new ATOM 0 HA GLU A 64 -9.697 -0.572 5.131 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.768 0.580 4.256 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -11.622 -1.013 3.542 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -13.315 -1.892 5.155 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -13.460 -0.299 5.871 1.00 0.84 H new ATOM 1050 N ASP A 69 -9.705 12.995 5.366 1.00 0.76 N ATOM 1051 CA ASP A 69 -9.224 13.340 3.998 1.00 0.75 C ATOM 1052 C ASP A 69 -7.815 13.972 4.055 1.00 0.69 C ATOM 1053 O ASP A 69 -7.550 14.835 4.905 1.00 1.33 O ATOM 1054 CB ASP A 69 -10.202 14.282 3.184 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.779 15.528 3.907 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.010 16.485 4.144 1.00 2.15 O ATOM 1057 OD2 ASP A 69 -11.986 15.524 4.226 1.00 2.06 O ATOM 0 HA ASP A 69 -9.189 12.394 3.458 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -9.672 14.626 2.296 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -11.041 13.676 2.840 1.00 1.17 H new ATOM 1062 N SER A 70 -6.910 13.544 3.118 1.00 0.72 N ATOM 1063 CA SER A 70 -5.484 14.029 3.024 1.00 0.57 C ATOM 1064 C SER A 70 -4.640 13.499 4.209 1.00 0.53 C ATOM 1065 O SER A 70 -4.346 14.225 5.167 1.00 0.57 O ATOM 1066 CB SER A 70 -5.426 15.576 2.917 1.00 0.70 C ATOM 1067 OG SER A 70 -4.212 16.028 2.328 1.00 0.77 O ATOM 0 H SER A 70 -7.145 12.853 2.405 1.00 0.72 H new ATOM 0 HA SER A 70 -5.047 13.627 2.110 1.00 0.57 H new ATOM 0 HB2 SER A 70 -6.269 15.930 2.324 1.00 0.70 H new ATOM 0 HB3 SER A 70 -5.530 16.012 3.911 1.00 0.70 H new ATOM 0 HG SER A 70 -4.217 17.007 2.278 1.00 0.77 H new ATOM 1073 N PHE A 71 -4.272 12.218 4.112 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.527 11.539 5.185 1.00 0.47 C ATOM 1075 C PHE A 71 -2.294 10.791 4.655 1.00 0.33 C ATOM 1076 O PHE A 71 -2.346 10.102 3.625 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.466 10.606 6.017 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.660 9.993 5.271 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -5.483 8.950 4.352 1.00 0.73 C ATOM 1080 CD2 PHE A 71 -6.952 10.478 5.471 1.00 0.75 C ATOM 1081 CE1 PHE A 71 -6.561 8.416 3.660 1.00 0.78 C ATOM 1082 CE2 PHE A 71 -8.033 9.939 4.781 1.00 0.81 C ATOM 1083 CZ PHE A 71 -7.844 8.844 3.946 1.00 0.67 C ATOM 0 H PHE A 71 -4.476 11.629 3.305 1.00 0.49 H new ATOM 0 HA PHE A 71 -3.150 12.310 5.856 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.865 9.793 6.425 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.849 11.175 6.864 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -4.492 8.556 4.180 1.00 0.73 H new ATOM 0 HD2 PHE A 71 -7.116 11.284 6.172 1.00 0.75 H new ATOM 0 HE1 PHE A 71 -6.398 7.667 2.899 1.00 0.78 H new ATOM 0 HE2 PHE A 71 -9.017 10.370 4.894 1.00 0.81 H new ATOM 0 HZ PHE A 71 -8.695 8.330 3.523 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.175 10.951 5.388 1.00 0.31 N ATOM 1094 CA GLY A 72 0.089 10.342 4.986 1.00 0.41 C ATOM 1095 C GLY A 72 0.853 9.601 6.072 1.00 0.33 C ATOM 1096 O GLY A 72 0.659 9.815 7.274 1.00 0.47 O ATOM 0 H GLY A 72 -1.129 11.492 6.251 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.110 9.646 4.171 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.734 11.124 4.586 1.00 0.41 H new ATOM 1100 N TYR A 73 1.795 8.770 5.606 1.00 0.28 N ATOM 1101 CA TYR A 73 2.625 7.924 6.476 1.00 0.24 C ATOM 1102 C TYR A 73 4.110 8.360 6.508 1.00 0.21 C ATOM 1103 O TYR A 73 4.610 9.031 5.587 1.00 0.27 O ATOM 1104 CB TYR A 73 2.581 6.454 6.021 1.00 0.36 C ATOM 1105 CG TYR A 73 1.201 5.872 5.655 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.488 6.313 4.533 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.595 4.904 6.459 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.764 5.800 4.232 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.653 4.395 6.156 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.274 4.791 4.939 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.568 4.337 4.745 1.00 0.89 O ATOM 0 H TYR A 73 2.004 8.665 4.613 1.00 0.28 H new ATOM 0 HA TYR A 73 2.203 8.037 7.475 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.233 6.349 5.154 1.00 0.36 H new ATOM 0 HB3 TYR A 73 3.006 5.841 6.816 1.00 0.36 H new ATOM 0 HD1 TYR A 73 0.921 7.066 3.891 1.00 0.47 H new ATOM 0 HD2 TYR A 73 1.113 4.546 7.336 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -1.332 6.222 3.416 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.147 3.710 6.829 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.749 3.594 5.358 1.00 0.89 H new ATOM 1121 N ASP A 74 4.814 7.903 7.566 1.00 0.17 N ATOM 1122 CA ASP A 74 6.240 8.229 7.794 1.00 0.16 C ATOM 1123 C ASP A 74 7.132 6.967 7.892 1.00 0.15 C ATOM 1124 O ASP A 74 6.871 6.062 8.693 1.00 0.24 O ATOM 1125 CB ASP A 74 6.390 9.044 9.097 1.00 0.21 C ATOM 1126 CG ASP A 74 6.164 10.544 8.930 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.193 10.928 8.244 1.00 0.51 O ATOM 1128 OD2 ASP A 74 6.955 11.331 9.494 1.00 0.40 O ATOM 0 H ASP A 74 4.412 7.300 8.284 1.00 0.17 H new ATOM 0 HA ASP A 74 6.572 8.809 6.933 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.683 8.662 9.834 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.390 8.882 9.500 1.00 0.21 H new ATOM 1133 N ILE A 75 8.200 6.938 7.068 1.00 0.10 N ATOM 1134 CA ILE A 75 9.181 5.827 7.043 1.00 0.09 C ATOM 1135 C ILE A 75 10.609 6.413 7.309 1.00 0.08 C ATOM 1136 O ILE A 75 11.236 6.920 6.376 1.00 0.12 O ATOM 1137 CB ILE A 75 9.169 5.021 5.660 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.747 4.595 5.244 1.00 0.13 C ATOM 1139 CG2 ILE A 75 10.032 3.722 5.686 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.115 5.422 4.150 1.00 0.15 C ATOM 0 H ILE A 75 8.409 7.681 6.401 1.00 0.10 H new ATOM 0 HA ILE A 75 8.903 5.115 7.820 1.00 0.09 H new ATOM 0 HB ILE A 75 9.591 5.729 4.946 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.779 3.556 4.917 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.103 4.634 6.123 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.976 3.229 4.716 1.00 0.14 H new ATOM 0 HG22 ILE A 75 11.069 3.978 5.904 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.655 3.050 6.457 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.118 5.039 3.934 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.042 6.460 4.475 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.728 5.365 3.251 1.00 0.15 H new ATOM 1152 N PRO A 76 11.147 6.357 8.568 1.00 0.09 N ATOM 1153 CA PRO A 76 12.499 6.877 8.868 1.00 0.10 C ATOM 1154 C PRO A 76 13.675 5.904 8.545 1.00 0.09 C ATOM 1155 O PRO A 76 13.785 4.824 9.135 1.00 0.11 O ATOM 1156 CB PRO A 76 12.407 7.182 10.366 1.00 0.14 C ATOM 1157 CG PRO A 76 11.486 6.115 10.907 1.00 0.15 C ATOM 1158 CD PRO A 76 10.483 5.832 9.793 1.00 0.12 C ATOM 0 HA PRO A 76 12.742 7.734 8.240 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.387 7.140 10.842 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.008 8.180 10.545 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.042 5.215 11.171 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.981 6.455 11.811 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.272 4.766 9.707 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.532 6.331 9.976 1.00 0.12 H new ATOM 1166 N ILE A 77 14.533 6.320 7.590 1.00 0.09 N ATOM 1167 CA ILE A 77 15.712 5.526 7.157 1.00 0.10 C ATOM 1168 C ILE A 77 17.010 6.394 7.209 1.00 0.13 C ATOM 1169 O ILE A 77 16.977 7.629 7.113 1.00 0.19 O ATOM 1170 CB ILE A 77 15.547 4.899 5.700 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.058 4.736 5.304 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.247 3.500 5.568 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.589 5.586 4.130 1.00 0.19 C ATOM 0 H ILE A 77 14.433 7.208 7.098 1.00 0.09 H new ATOM 0 HA ILE A 77 15.791 4.696 7.859 1.00 0.10 H new ATOM 0 HB ILE A 77 16.030 5.607 5.026 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.878 3.688 5.065 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.442 4.976 6.171 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.105 3.116 4.558 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.313 3.606 5.770 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.809 2.805 6.285 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.533 5.393 3.940 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.728 6.641 4.366 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.170 5.333 3.243 1.00 0.19 H new ATOM 1185 N LYS A 78 18.145 5.698 7.343 1.00 0.15 N ATOM 1186 CA LYS A 78 19.481 6.319 7.407 1.00 0.20 C ATOM 1187 C LYS A 78 20.551 5.481 6.650 1.00 0.21 C ATOM 1188 O LYS A 78 21.746 5.586 6.948 1.00 0.25 O ATOM 1189 CB LYS A 78 19.915 6.499 8.882 1.00 0.27 C ATOM 1190 CG LYS A 78 19.218 7.663 9.626 1.00 0.87 C ATOM 1191 CD LYS A 78 19.429 7.629 11.164 1.00 1.32 C ATOM 1192 CE LYS A 78 20.904 7.772 11.586 1.00 1.91 C ATOM 1193 NZ LYS A 78 21.034 7.987 13.054 1.00 2.53 N ATOM 0 H LYS A 78 18.167 4.680 7.411 1.00 0.15 H new ATOM 0 HA LYS A 78 19.409 7.291 6.920 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.717 5.572 9.420 1.00 0.27 H new ATOM 0 HB3 LYS A 78 20.993 6.661 8.912 1.00 0.27 H new ATOM 0 HG2 LYS A 78 19.593 8.609 9.236 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.149 7.632 9.413 1.00 0.87 H new ATOM 0 HD2 LYS A 78 18.850 8.432 11.620 1.00 1.32 H new ATOM 0 HD3 LYS A 78 19.037 6.691 11.556 1.00 1.32 H new ATOM 0 HE2 LYS A 78 21.454 6.876 11.298 1.00 1.91 H new ATOM 0 HE3 LYS A 78 21.356 8.609 11.053 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 22.039 8.079 13.304 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 20.529 8.855 13.324 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 20.624 7.177 13.561 1.00 2.53 H new ATOM 1207 N GLU A 79 20.117 4.657 5.660 1.00 0.19 N ATOM 1208 CA GLU A 79 21.025 3.810 4.877 1.00 0.22 C ATOM 1209 C GLU A 79 20.783 3.978 3.366 1.00 0.20 C ATOM 1210 O GLU A 79 19.666 4.288 2.924 1.00 0.18 O ATOM 1211 CB GLU A 79 20.836 2.340 5.289 1.00 0.24 C ATOM 1212 CG GLU A 79 21.470 1.972 6.641 1.00 0.55 C ATOM 1213 CD GLU A 79 21.134 0.558 7.077 1.00 1.17 C ATOM 1214 OE1 GLU A 79 21.889 -0.370 6.715 1.00 1.03 O ATOM 1215 OE2 GLU A 79 20.118 0.379 7.780 1.00 2.12 O ATOM 0 H GLU A 79 19.137 4.569 5.393 1.00 0.19 H new ATOM 0 HA GLU A 79 22.050 4.117 5.083 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.769 2.121 5.331 1.00 0.24 H new ATOM 0 HB3 GLU A 79 21.262 1.701 4.516 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.552 2.079 6.572 1.00 0.55 H new ATOM 0 HG3 GLU A 79 21.128 2.674 7.402 1.00 0.55 H new ATOM 1222 N GLU A 80 21.838 3.744 2.570 1.00 0.26 N ATOM 1223 CA GLU A 80 21.759 3.898 1.109 1.00 0.25 C ATOM 1224 C GLU A 80 21.895 2.580 0.331 1.00 0.27 C ATOM 1225 O GLU A 80 22.740 1.727 0.632 1.00 0.32 O ATOM 1226 CB GLU A 80 22.839 4.883 0.623 1.00 0.27 C ATOM 1227 CG GLU A 80 22.564 6.375 0.911 1.00 0.28 C ATOM 1228 CD GLU A 80 23.608 6.979 1.833 1.00 0.36 C ATOM 1229 OE1 GLU A 80 24.668 7.407 1.330 1.00 0.40 O ATOM 1230 OE2 GLU A 80 23.367 7.020 3.058 1.00 0.42 O ATOM 0 H GLU A 80 22.752 3.449 2.912 1.00 0.26 H new ATOM 0 HA GLU A 80 20.759 4.281 0.906 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.787 4.611 1.087 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.962 4.756 -0.453 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.546 6.928 -0.028 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.577 6.481 1.362 1.00 0.28 H new ATOM 1237 N GLY A 81 21.040 2.460 -0.690 1.00 0.22 N ATOM 1238 CA GLY A 81 21.024 1.293 -1.565 1.00 0.23 C ATOM 1239 C GLY A 81 19.761 1.216 -2.416 1.00 0.19 C ATOM 1240 O GLY A 81 19.423 2.177 -3.116 1.00 0.18 O ATOM 0 H GLY A 81 20.345 3.167 -0.929 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.896 1.321 -2.218 1.00 0.23 H new ATOM 0 HA3 GLY A 81 21.106 0.389 -0.961 1.00 0.23 H new ATOM 1244 N GLU A 82 19.066 0.060 -2.380 1.00 0.20 N ATOM 1245 CA GLU A 82 17.812 -0.105 -3.136 1.00 0.17 C ATOM 1246 C GLU A 82 16.654 -0.505 -2.217 1.00 0.18 C ATOM 1247 O GLU A 82 16.683 -1.553 -1.572 1.00 0.30 O ATOM 1248 CB GLU A 82 17.946 -1.154 -4.265 1.00 0.19 C ATOM 1249 CG GLU A 82 18.988 -0.832 -5.351 1.00 0.26 C ATOM 1250 CD GLU A 82 18.525 -1.247 -6.736 1.00 0.86 C ATOM 1251 OE1 GLU A 82 17.632 -0.571 -7.290 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.054 -2.245 -7.267 1.00 1.75 O ATOM 0 H GLU A 82 19.348 -0.760 -1.843 1.00 0.20 H new ATOM 0 HA GLU A 82 17.599 0.865 -3.585 1.00 0.17 H new ATOM 0 HB2 GLU A 82 18.200 -2.114 -3.816 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.974 -1.273 -4.743 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.196 0.238 -5.346 1.00 0.26 H new ATOM 0 HG3 GLU A 82 19.923 -1.340 -5.116 1.00 0.26 H new ATOM 1259 N TYR A 83 15.631 0.359 -2.170 1.00 0.08 N ATOM 1260 CA TYR A 83 14.424 0.125 -1.357 1.00 0.08 C ATOM 1261 C TYR A 83 13.195 0.052 -2.269 1.00 0.08 C ATOM 1262 O TYR A 83 13.053 0.849 -3.195 1.00 0.12 O ATOM 1263 CB TYR A 83 14.236 1.226 -0.299 1.00 0.10 C ATOM 1264 CG TYR A 83 15.357 1.282 0.743 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.510 2.035 0.520 1.00 0.16 C ATOM 1266 CD2 TYR A 83 15.256 0.594 1.955 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.514 2.097 1.463 1.00 0.18 C ATOM 1268 CE2 TYR A 83 16.259 0.660 2.900 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.408 1.356 2.625 1.00 0.16 C ATOM 1270 OH TYR A 83 18.382 1.482 3.585 1.00 0.21 O ATOM 0 H TYR A 83 15.614 1.236 -2.690 1.00 0.08 H new ATOM 0 HA TYR A 83 14.545 -0.822 -0.831 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.171 2.191 -0.801 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.286 1.068 0.212 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.618 2.579 -0.407 1.00 0.16 H new ATOM 0 HD2 TYR A 83 14.377 -0.000 2.156 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.379 2.721 1.295 1.00 0.18 H new ATOM 0 HE2 TYR A 83 16.140 0.165 3.853 1.00 0.19 H new ATOM 0 HH TYR A 83 18.749 2.390 3.561 1.00 0.21 H new ATOM 1280 N VAL A 84 12.297 -0.902 -2.001 1.00 0.08 N ATOM 1281 CA VAL A 84 11.097 -1.098 -2.870 1.00 0.10 C ATOM 1282 C VAL A 84 9.794 -0.857 -2.077 1.00 0.10 C ATOM 1283 O VAL A 84 9.550 -1.474 -1.033 1.00 0.10 O ATOM 1284 CB VAL A 84 11.031 -2.538 -3.610 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.196 -2.511 -4.922 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.408 -3.118 -3.979 1.00 0.20 C ATOM 0 H VAL A 84 12.361 -1.545 -1.212 1.00 0.08 H new ATOM 0 HA VAL A 84 11.198 -0.354 -3.660 1.00 0.10 H new ATOM 0 HB VAL A 84 10.555 -3.171 -2.861 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.190 -3.505 -5.370 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.173 -2.209 -4.696 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.639 -1.801 -5.620 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.277 -4.082 -4.470 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.922 -2.434 -4.654 1.00 0.20 H new ATOM 0 HG23 VAL A 84 13.002 -3.249 -3.074 1.00 0.20 H new ATOM 1296 N LEU A 85 8.952 0.037 -2.633 1.00 0.12 N ATOM 1297 CA LEU A 85 7.650 0.364 -2.045 1.00 0.15 C ATOM 1298 C LEU A 85 6.525 -0.346 -2.838 1.00 0.16 C ATOM 1299 O LEU A 85 6.189 0.048 -3.962 1.00 0.21 O ATOM 1300 CB LEU A 85 7.426 1.896 -2.067 1.00 0.25 C ATOM 1301 CG LEU A 85 6.621 2.529 -0.885 1.00 0.43 C ATOM 1302 CD1 LEU A 85 7.219 3.864 -0.458 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.153 2.736 -1.246 1.00 0.61 C ATOM 0 H LEU A 85 9.158 0.545 -3.493 1.00 0.12 H new ATOM 0 HA LEU A 85 7.631 0.021 -1.011 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.403 2.378 -2.103 1.00 0.25 H new ATOM 0 HB3 LEU A 85 6.912 2.147 -2.995 1.00 0.25 H new ATOM 0 HG LEU A 85 6.685 1.823 -0.057 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.636 4.277 0.365 1.00 0.78 H new ATOM 0 HD12 LEU A 85 8.249 3.714 -0.134 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.200 4.557 -1.299 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.629 3.177 -0.398 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.080 3.403 -2.105 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.700 1.776 -1.493 1.00 0.61 H new ATOM 1315 N VAL A 86 5.975 -1.411 -2.235 1.00 0.17 N ATOM 1316 CA VAL A 86 4.885 -2.220 -2.847 1.00 0.21 C ATOM 1317 C VAL A 86 3.612 -2.052 -1.974 1.00 0.21 C ATOM 1318 O VAL A 86 3.598 -2.425 -0.795 1.00 0.27 O ATOM 1319 CB VAL A 86 5.231 -3.797 -3.020 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.303 -4.517 -4.043 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.692 -4.089 -3.450 1.00 0.32 C ATOM 0 H VAL A 86 6.264 -1.742 -1.315 1.00 0.17 H new ATOM 0 HA VAL A 86 4.739 -1.846 -3.860 1.00 0.21 H new ATOM 0 HB VAL A 86 5.069 -4.186 -2.015 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.585 -5.568 -4.113 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.267 -4.441 -3.711 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.406 -4.047 -5.021 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.836 -5.166 -3.542 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.891 -3.613 -4.410 1.00 0.32 H new ATOM 0 HG23 VAL A 86 7.378 -3.694 -2.701 1.00 0.32 H new ATOM 1331 N LEU A 87 2.555 -1.489 -2.570 1.00 0.20 N ATOM 1332 CA LEU A 87 1.298 -1.296 -1.835 1.00 0.22 C ATOM 1333 C LEU A 87 0.084 -1.820 -2.608 1.00 0.22 C ATOM 1334 O LEU A 87 -0.071 -1.576 -3.815 1.00 0.26 O ATOM 1335 CB LEU A 87 1.111 0.192 -1.379 1.00 0.31 C ATOM 1336 CG LEU A 87 0.660 1.266 -2.414 1.00 0.50 C ATOM 1337 CD1 LEU A 87 0.077 2.476 -1.686 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.805 1.747 -3.306 1.00 0.88 C ATOM 0 H LEU A 87 2.542 -1.165 -3.537 1.00 0.20 H new ATOM 0 HA LEU A 87 1.369 -1.899 -0.930 1.00 0.22 H new ATOM 0 HB2 LEU A 87 0.382 0.195 -0.568 1.00 0.31 H new ATOM 0 HB3 LEU A 87 2.059 0.525 -0.957 1.00 0.31 H new ATOM 0 HG LEU A 87 -0.088 0.791 -3.049 1.00 0.50 H new ATOM 0 HD11 LEU A 87 -0.236 3.223 -2.415 1.00 1.25 H new ATOM 0 HD12 LEU A 87 -0.783 2.164 -1.093 1.00 1.25 H new ATOM 0 HD13 LEU A 87 0.834 2.905 -1.029 1.00 1.25 H new ATOM 0 HD21 LEU A 87 1.431 2.494 -4.007 1.00 0.88 H new ATOM 0 HD22 LEU A 87 2.587 2.188 -2.688 1.00 0.88 H new ATOM 0 HD23 LEU A 87 2.214 0.902 -3.860 1.00 0.88 H new ATOM 1350 N LYS A 88 -0.789 -2.545 -1.875 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.017 -3.128 -2.459 1.00 0.26 C ATOM 1352 C LYS A 88 -3.243 -2.246 -2.176 1.00 0.27 C ATOM 1353 O LYS A 88 -3.571 -1.951 -1.026 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.271 -4.538 -1.884 1.00 0.31 C ATOM 1355 CG LYS A 88 -2.625 -5.656 -2.892 1.00 0.46 C ATOM 1356 CD LYS A 88 -1.366 -6.221 -3.597 1.00 1.53 C ATOM 1357 CE LYS A 88 -1.700 -7.230 -4.705 1.00 2.13 C ATOM 1358 NZ LYS A 88 -0.471 -7.829 -5.297 1.00 2.52 N ATOM 0 H LYS A 88 -0.667 -2.740 -0.881 1.00 0.23 H new ATOM 0 HA LYS A 88 -1.867 -3.190 -3.537 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.380 -4.846 -1.337 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -3.082 -4.467 -1.159 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.142 -6.462 -2.372 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.315 -5.265 -3.640 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -0.795 -5.397 -4.024 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -0.727 -6.702 -2.856 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -2.330 -8.021 -4.298 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -2.275 -6.734 -5.487 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -0.664 -8.119 -6.277 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 0.296 -7.127 -5.289 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -0.186 -8.659 -4.739 1.00 2.52 H new ATOM 1372 N PHE A 89 -3.915 -1.832 -3.251 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.116 -0.991 -3.148 1.00 0.29 C ATOM 1374 C PHE A 89 -6.389 -1.804 -3.472 1.00 0.31 C ATOM 1375 O PHE A 89 -6.428 -2.583 -4.434 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.018 0.195 -4.126 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.374 1.473 -3.581 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.874 2.129 -2.442 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.236 2.003 -4.191 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.252 3.253 -1.950 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.625 3.137 -3.697 1.00 0.26 C ATOM 1382 CZ PHE A 89 -3.264 3.839 -2.605 1.00 0.31 C ATOM 0 H PHE A 89 -3.649 -2.065 -4.208 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.179 -0.623 -2.124 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.451 -0.128 -4.999 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.023 0.438 -4.470 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.755 1.746 -1.949 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.827 1.517 -5.064 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.578 3.666 -1.007 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.694 3.491 -4.114 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.938 4.831 -2.328 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.436 -1.605 -2.645 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.735 -2.318 -2.797 1.00 0.36 C ATOM 1394 C ALA A 90 -9.945 -1.327 -2.700 1.00 0.39 C ATOM 1395 O ALA A 90 -9.872 -0.267 -2.025 1.00 0.37 O ATOM 1396 CB ALA A 90 -8.867 -3.462 -1.739 1.00 0.41 C ATOM 0 H ALA A 90 -7.413 -0.955 -1.860 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.753 -2.767 -3.790 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -9.823 -3.969 -1.869 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.056 -4.177 -1.874 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -8.814 -3.038 -0.736 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.051 -1.674 -3.408 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.296 -0.881 -3.409 1.00 0.53 C ATOM 1404 C GLU A 91 -13.516 -1.812 -3.547 1.00 0.63 C ATOM 1405 O GLU A 91 -13.709 -2.447 -4.591 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.294 0.151 -4.560 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.299 1.305 -4.394 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.379 2.193 -5.621 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -13.870 1.718 -6.667 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -12.957 3.366 -5.536 1.00 2.61 O ATOM 0 H GLU A 91 -11.099 -2.510 -3.991 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.356 -0.343 -2.463 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.292 0.571 -4.651 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.509 -0.367 -5.494 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.286 0.894 -4.183 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.014 1.908 -3.532 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.341 -1.878 -2.487 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.551 -2.754 -2.482 1.00 0.76 C ATOM 1419 C VAL A 92 -16.837 -2.004 -2.006 1.00 0.66 C ATOM 1420 O VAL A 92 -17.376 -2.293 -0.931 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.394 -4.142 -1.673 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -14.891 -5.275 -2.590 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.481 -4.091 -0.404 1.00 2.00 C ATOM 0 H VAL A 92 -14.204 -1.346 -1.627 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.662 -3.024 -3.532 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.406 -4.338 -1.319 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -14.797 -6.195 -2.013 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -15.601 -5.428 -3.403 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -13.919 -5.004 -3.003 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -14.448 -5.077 0.060 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.473 -3.791 -0.692 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -14.885 -3.369 0.306 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.312 -1.041 -2.826 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.540 -0.262 -2.519 1.00 0.80 C ATOM 1435 C TYR A 93 -19.053 0.543 -3.737 1.00 0.86 C ATOM 1436 O TYR A 93 -20.257 0.532 -4.012 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.333 0.694 -1.318 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.569 0.824 -0.409 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -19.773 -0.053 0.662 1.00 1.14 C ATOM 1440 CD2 TYR A 93 -20.544 1.805 -0.636 1.00 1.01 C ATOM 1441 CE1 TYR A 93 -20.897 0.044 1.466 1.00 1.47 C ATOM 1442 CE2 TYR A 93 -21.664 1.903 0.173 1.00 1.43 C ATOM 1443 CZ TYR A 93 -21.834 1.021 1.217 1.00 1.67 C ATOM 1444 OH TYR A 93 -22.952 1.111 2.013 1.00 2.27 O ATOM 0 H TYR A 93 -16.866 -0.782 -3.706 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.297 -1.001 -2.256 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.492 0.339 -0.723 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -18.064 1.681 -1.693 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -19.040 -0.820 0.866 1.00 1.14 H new ATOM 0 HD2 TYR A 93 -20.420 2.497 -1.456 1.00 1.01 H new ATOM 0 HE1 TYR A 93 -21.038 -0.645 2.286 1.00 1.47 H new ATOM 0 HE2 TYR A 93 -22.402 2.669 -0.014 1.00 1.43 H new ATOM 0 HH TYR A 93 -23.513 1.853 1.706 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.144 1.238 -4.462 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.518 2.055 -5.636 1.00 0.82 C ATOM 1456 C PHE A 94 -17.960 1.477 -6.949 1.00 0.76 C ATOM 1457 O PHE A 94 -16.754 1.235 -7.079 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.013 3.500 -5.471 1.00 1.01 C ATOM 1459 CG PHE A 94 -18.710 4.292 -4.367 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -19.962 4.867 -4.590 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -18.117 4.465 -3.113 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -20.601 5.590 -3.595 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -18.757 5.188 -2.119 1.00 1.23 C ATOM 1464 CZ PHE A 94 -19.998 5.751 -2.360 1.00 1.37 C ATOM 0 H PHE A 94 -17.146 1.247 -4.252 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.607 2.043 -5.692 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -16.943 3.476 -5.264 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.143 4.027 -6.416 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -20.440 4.747 -5.551 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -17.148 4.030 -2.916 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -21.570 6.028 -3.784 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -18.287 5.312 -1.155 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.495 6.315 -1.585 1.00 1.37 H new ATOM 1474 N ALA A 95 -18.870 1.271 -7.933 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.510 0.729 -9.263 1.00 0.73 C ATOM 1476 C ALA A 95 -18.594 1.832 -10.365 1.00 0.72 C ATOM 1477 O ALA A 95 -19.674 2.173 -10.892 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.385 -0.512 -9.600 1.00 0.82 C ATOM 0 H ALA A 95 -19.864 1.474 -7.827 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.472 0.397 -9.234 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.107 -0.898 -10.581 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.226 -1.285 -8.848 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.436 -0.225 -9.608 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.424 2.433 -10.656 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.303 3.501 -11.674 1.00 0.66 C ATOM 1486 C GLN A 96 -15.846 3.686 -12.154 1.00 0.58 C ATOM 1487 O GLN A 96 -14.891 3.583 -11.372 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.871 4.851 -11.147 1.00 0.72 C ATOM 1489 CG GLN A 96 -17.316 5.307 -9.787 1.00 1.40 C ATOM 1490 CD GLN A 96 -18.078 6.492 -9.227 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -17.749 7.643 -9.509 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -19.104 6.215 -8.431 1.00 2.45 N ATOM 0 H GLN A 96 -16.543 2.197 -10.199 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.897 3.183 -12.531 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -17.665 5.627 -11.884 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -18.955 4.766 -11.069 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -17.365 4.479 -9.080 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -16.264 5.572 -9.896 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -19.341 5.245 -8.224 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -19.655 6.972 -8.027 1.00 2.45 H new ATOM 1501 N SER A 97 -15.701 3.987 -13.457 1.00 0.64 N ATOM 1502 CA SER A 97 -14.385 4.190 -14.094 1.00 0.62 C ATOM 1503 C SER A 97 -14.263 5.578 -14.753 1.00 0.81 C ATOM 1504 O SER A 97 -15.088 5.957 -15.593 1.00 1.66 O ATOM 1505 CB SER A 97 -14.143 3.109 -15.153 1.00 0.68 C ATOM 1506 OG SER A 97 -13.816 1.860 -14.565 1.00 0.73 O ATOM 0 H SER A 97 -16.488 4.096 -14.096 1.00 0.64 H new ATOM 0 HA SER A 97 -13.635 4.124 -13.306 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.035 2.998 -15.770 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.335 3.422 -15.814 1.00 0.68 H new ATOM 0 HG SER A 97 -13.670 1.195 -15.270 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.194 6.327 -14.349 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.864 7.722 -14.829 1.00 0.54 C ATOM 1514 C GLN A 98 -13.829 8.803 -14.248 1.00 0.56 C ATOM 1515 O GLN A 98 -14.408 9.616 -14.980 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.825 7.810 -16.382 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.705 6.984 -17.048 1.00 1.06 C ATOM 1518 CD GLN A 98 -10.331 7.617 -16.897 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -9.614 7.349 -15.933 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -9.958 8.463 -17.852 1.00 1.60 N ATOM 0 H GLN A 98 -12.519 5.979 -13.668 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.865 7.936 -14.449 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.786 7.477 -16.775 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -12.707 8.855 -16.670 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -11.689 5.985 -16.612 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.930 6.865 -18.108 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -10.583 8.657 -18.634 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -9.046 8.918 -17.803 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.970 8.780 -12.912 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.861 9.683 -12.150 1.00 0.58 C ATOM 1531 C GLN A 99 -14.296 9.914 -10.737 1.00 0.57 C ATOM 1532 O GLN A 99 -14.315 11.041 -10.233 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.291 9.099 -12.045 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.140 9.229 -13.322 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.477 8.507 -13.226 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -19.079 8.416 -12.154 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -18.949 7.988 -14.354 1.00 2.02 N ATOM 0 H GLN A 99 -13.462 8.125 -12.318 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.913 10.632 -12.684 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.218 8.044 -11.781 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.812 9.597 -11.228 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -17.318 10.285 -13.527 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -16.578 8.830 -14.167 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.420 8.085 -15.221 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -19.840 7.492 -14.354 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.792 8.821 -10.103 1.00 0.53 N ATOM 1547 CA LYS A 100 -13.164 8.881 -8.773 1.00 0.55 C ATOM 1548 C LYS A 100 -11.647 8.675 -8.934 1.00 0.48 C ATOM 1549 O LYS A 100 -11.120 7.570 -8.765 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.764 7.812 -7.831 1.00 0.64 C ATOM 1551 CG LYS A 100 -14.702 8.347 -6.715 1.00 1.11 C ATOM 1552 CD LYS A 100 -16.013 8.956 -7.266 1.00 1.52 C ATOM 1553 CE LYS A 100 -16.964 9.416 -6.149 1.00 2.14 C ATOM 1554 NZ LYS A 100 -18.210 10.017 -6.700 1.00 2.76 N ATOM 0 H LYS A 100 -13.814 7.883 -10.504 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.356 9.856 -8.324 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -14.320 7.094 -8.434 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.945 7.267 -7.361 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -14.945 7.533 -6.032 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -14.173 9.103 -6.135 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.774 9.804 -7.908 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -16.519 8.218 -7.888 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.219 8.567 -5.515 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -16.457 10.145 -5.517 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -18.827 10.315 -5.918 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -17.968 10.843 -7.285 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -18.706 9.313 -7.283 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.965 9.787 -9.254 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.501 9.803 -9.513 1.00 0.40 C ATOM 1570 C VAL A 101 -8.734 10.500 -8.358 1.00 0.41 C ATOM 1571 O VAL A 101 -9.024 11.644 -7.989 1.00 0.47 O ATOM 1572 CB VAL A 101 -9.082 10.417 -10.937 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.977 9.318 -12.011 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -10.003 11.547 -11.490 1.00 0.68 C ATOM 0 H VAL A 101 -11.405 10.703 -9.342 1.00 0.45 H new ATOM 0 HA VAL A 101 -9.208 8.754 -9.554 1.00 0.40 H new ATOM 0 HB VAL A 101 -8.114 10.875 -10.733 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.692 9.766 -12.963 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.224 8.589 -11.713 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.941 8.821 -12.118 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.625 11.885 -12.455 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -11.016 11.164 -11.612 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -10.013 12.383 -10.791 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.737 9.777 -7.823 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.956 10.228 -6.648 1.00 0.40 C ATOM 1586 C PHE A 102 -5.463 10.528 -6.919 1.00 0.38 C ATOM 1587 O PHE A 102 -4.957 10.302 -8.017 1.00 0.41 O ATOM 1588 CB PHE A 102 -7.083 9.125 -5.587 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.540 8.846 -5.186 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.304 9.803 -4.507 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -9.119 7.603 -5.434 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.597 9.520 -4.095 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -10.416 7.323 -5.029 1.00 0.70 C ATOM 1594 CZ PHE A 102 -11.229 8.398 -4.552 1.00 0.69 C ATOM 0 H PHE A 102 -7.447 8.869 -8.186 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.366 11.185 -6.327 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.634 8.208 -5.968 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.516 9.413 -4.701 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.880 10.775 -4.301 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.549 6.845 -5.950 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -11.105 10.186 -3.413 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.803 6.316 -5.073 1.00 0.70 H new ATOM 0 HZ PHE A 102 -12.307 8.326 -4.553 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.753 11.054 -5.884 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.310 11.383 -6.018 1.00 0.34 C ATOM 1606 C ASP A 103 -2.455 10.659 -4.966 1.00 0.32 C ATOM 1607 O ASP A 103 -2.806 10.599 -3.781 1.00 0.34 O ATOM 1608 CB ASP A 103 -3.025 12.900 -5.954 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.413 13.677 -7.214 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.539 13.469 -7.714 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.587 14.477 -7.699 1.00 1.33 O ATOM 0 H ASP A 103 -5.148 11.255 -4.966 1.00 0.36 H new ATOM 0 HA ASP A 103 -3.030 11.031 -7.011 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.562 13.321 -5.104 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.962 13.049 -5.765 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.308 10.133 -5.426 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.372 9.363 -4.579 1.00 0.28 C ATOM 1618 C VAL A 104 1.106 9.882 -4.810 1.00 0.26 C ATOM 1619 O VAL A 104 1.614 9.899 -5.954 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.649 7.778 -4.824 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.570 6.827 -4.767 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.667 7.239 -3.804 1.00 0.48 C ATOM 0 H VAL A 104 -1.000 10.227 -6.394 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.532 9.517 -3.512 1.00 0.28 H new ATOM 0 HB VAL A 104 -1.008 7.767 -5.853 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.242 5.803 -4.947 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.293 7.116 -5.530 1.00 0.31 H new ATOM 0 HG13 VAL A 104 1.036 6.891 -3.784 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.837 6.178 -3.986 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.278 7.376 -2.795 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.607 7.780 -3.908 1.00 0.48 H new ATOM 1632 N ARG A 105 1.769 10.249 -3.679 1.00 0.26 N ATOM 1633 CA ARG A 105 3.147 10.812 -3.687 1.00 0.26 C ATOM 1634 C ARG A 105 4.158 10.060 -2.784 1.00 0.23 C ATOM 1635 O ARG A 105 3.798 9.522 -1.727 1.00 0.26 O ATOM 1636 CB ARG A 105 3.120 12.276 -3.200 1.00 0.33 C ATOM 1637 CG ARG A 105 2.020 13.151 -3.822 1.00 0.53 C ATOM 1638 CD ARG A 105 2.137 14.628 -3.413 1.00 0.51 C ATOM 1639 NE ARG A 105 0.900 15.353 -3.682 1.00 0.92 N ATOM 1640 CZ ARG A 105 0.842 16.648 -4.010 1.00 1.25 C ATOM 1641 NH1 ARG A 105 1.945 17.387 -4.056 1.00 1.15 N ATOM 1642 NH2 ARG A 105 -0.328 17.211 -4.278 1.00 1.69 N ATOM 0 H ARG A 105 1.367 10.164 -2.745 1.00 0.26 H new ATOM 0 HA ARG A 105 3.480 10.714 -4.720 1.00 0.26 H new ATOM 0 HB2 ARG A 105 2.996 12.280 -2.117 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.088 12.731 -3.412 1.00 0.33 H new ATOM 0 HG2 ARG A 105 2.070 13.074 -4.908 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.044 12.771 -3.520 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.377 14.696 -2.352 1.00 0.51 H new ATOM 0 HD3 ARG A 105 2.959 15.094 -3.956 1.00 0.51 H new ATOM 0 HE ARG A 105 0.022 14.838 -3.616 1.00 0.92 H new ATOM 0 HH11 ARG A 105 2.849 16.968 -3.840 1.00 1.15 H new ATOM 0 HH12 ARG A 105 1.888 18.374 -4.308 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -1.183 16.656 -4.234 1.00 1.69 H new ATOM 0 HH22 ARG A 105 -0.373 18.199 -4.528 1.00 1.69 H new ATOM 1656 N VAL A 106 5.451 10.079 -3.213 1.00 0.23 N ATOM 1657 CA VAL A 106 6.580 9.444 -2.456 1.00 0.23 C ATOM 1658 C VAL A 106 7.732 10.455 -2.121 1.00 0.22 C ATOM 1659 O VAL A 106 8.521 10.833 -2.991 1.00 0.23 O ATOM 1660 CB VAL A 106 7.187 8.110 -3.114 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.310 6.883 -2.814 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.426 8.180 -4.647 1.00 0.60 C ATOM 0 H VAL A 106 5.743 10.528 -4.081 1.00 0.23 H new ATOM 0 HA VAL A 106 6.103 9.130 -1.528 1.00 0.23 H new ATOM 0 HB VAL A 106 8.165 8.015 -2.643 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.751 5.999 -3.275 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.246 6.737 -1.736 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.311 7.042 -3.219 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.837 7.232 -4.995 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.481 8.374 -5.154 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.129 8.983 -4.869 1.00 0.60 H new ATOM 1672 N ASN A 107 7.786 10.890 -0.821 1.00 0.23 N ATOM 1673 CA ASN A 107 8.782 11.875 -0.236 1.00 0.23 C ATOM 1674 C ASN A 107 8.688 13.310 -0.830 1.00 0.24 C ATOM 1675 O ASN A 107 9.666 14.070 -0.837 1.00 0.25 O ATOM 1676 CB ASN A 107 10.221 11.352 -0.376 1.00 0.23 C ATOM 1677 CG ASN A 107 11.086 11.607 0.853 1.00 0.27 C ATOM 1678 OD1 ASN A 107 10.581 11.783 1.956 1.00 1.05 O ATOM 1679 ND2 ASN A 107 12.385 11.672 0.636 1.00 1.12 N ATOM 0 H ASN A 107 7.120 10.559 -0.123 1.00 0.23 H new ATOM 0 HA ASN A 107 8.513 11.957 0.817 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.191 10.280 -0.573 1.00 0.23 H new ATOM 0 HB3 ASN A 107 10.687 11.823 -1.242 1.00 0.23 H new ATOM 0 HD21 ASN A 107 13.021 11.877 1.407 1.00 1.12 H new ATOM 0 HD22 ASN A 107 12.754 11.517 -0.302 1.00 1.12 H new ATOM 1686 N GLY A 108 7.500 13.655 -1.309 1.00 0.25 N ATOM 1687 CA GLY A 108 7.284 14.934 -1.934 1.00 0.29 C ATOM 1688 C GLY A 108 7.053 14.846 -3.462 1.00 0.29 C ATOM 1689 O GLY A 108 6.469 15.753 -4.060 1.00 0.32 O ATOM 0 H GLY A 108 6.674 13.058 -1.272 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.421 15.414 -1.472 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.146 15.573 -1.741 1.00 0.29 H new ATOM 1693 N HIS A 109 7.533 13.723 -4.077 1.00 0.27 N ATOM 1694 CA HIS A 109 7.431 13.422 -5.517 1.00 0.28 C ATOM 1695 C HIS A 109 6.046 12.864 -5.950 1.00 0.30 C ATOM 1696 O HIS A 109 5.398 12.167 -5.184 1.00 0.57 O ATOM 1697 CB HIS A 109 8.474 12.333 -5.795 1.00 0.29 C ATOM 1698 CG HIS A 109 9.911 12.759 -5.669 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.648 13.244 -6.725 1.00 0.43 N ATOM 1700 CD2 HIS A 109 10.756 12.733 -4.602 1.00 0.27 C ATOM 1701 CE1 HIS A 109 11.880 13.496 -6.322 1.00 0.46 C ATOM 1702 NE2 HIS A 109 11.970 13.198 -5.040 1.00 0.36 N ATOM 0 H HIS A 109 8.014 12.988 -3.558 1.00 0.27 H new ATOM 0 HA HIS A 109 7.583 14.349 -6.071 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.298 11.504 -5.109 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.314 11.952 -6.804 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.297 13.387 -7.672 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.516 12.408 -3.600 1.00 0.27 H new ATOM 0 HE1 HIS A 109 12.679 13.881 -6.938 1.00 0.46 H new ATOM 1711 N THR A 110 5.603 13.160 -7.191 1.00 0.31 N ATOM 1712 CA THR A 110 4.307 12.618 -7.700 1.00 0.32 C ATOM 1713 C THR A 110 4.542 11.443 -8.662 1.00 0.35 C ATOM 1714 O THR A 110 5.294 11.553 -9.640 1.00 0.47 O ATOM 1715 CB THR A 110 3.357 13.643 -8.419 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.037 14.857 -8.790 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.121 13.984 -7.573 1.00 0.47 C ATOM 0 H THR A 110 6.103 13.755 -7.851 1.00 0.31 H new ATOM 0 HA THR A 110 3.796 12.311 -6.788 1.00 0.32 H new ATOM 0 HB THR A 110 3.027 13.142 -9.329 1.00 0.43 H new ATOM 0 HG1 THR A 110 3.407 15.462 -9.235 1.00 0.55 H new ATOM 0 HG21 THR A 110 1.496 14.696 -8.112 1.00 0.47 H new ATOM 0 HG22 THR A 110 1.551 13.075 -7.378 1.00 0.47 H new ATOM 0 HG23 THR A 110 2.438 14.424 -6.627 1.00 0.47 H new ATOM 1725 N VAL A 111 3.868 10.326 -8.373 1.00 0.29 N ATOM 1726 CA VAL A 111 4.015 9.089 -9.181 1.00 0.35 C ATOM 1727 C VAL A 111 2.684 8.612 -9.818 1.00 0.35 C ATOM 1728 O VAL A 111 2.613 8.470 -11.042 1.00 0.39 O ATOM 1729 CB VAL A 111 4.750 7.882 -8.434 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.283 8.001 -8.571 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.382 7.692 -6.928 1.00 1.00 C ATOM 0 H VAL A 111 3.217 10.242 -7.593 1.00 0.29 H new ATOM 0 HA VAL A 111 4.682 9.397 -9.986 1.00 0.35 H new ATOM 0 HB VAL A 111 4.378 6.994 -8.944 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.760 7.168 -8.054 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.557 7.979 -9.626 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.616 8.940 -8.130 1.00 1.06 H new ATOM 0 HG21 VAL A 111 4.937 6.847 -6.522 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.639 8.595 -6.374 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.313 7.502 -6.836 1.00 1.00 H new ATOM 1741 N VAL A 112 1.635 8.362 -8.992 1.00 0.33 N ATOM 1742 CA VAL A 112 0.326 7.914 -9.539 1.00 0.35 C ATOM 1743 C VAL A 112 -0.731 8.988 -9.199 1.00 0.34 C ATOM 1744 O VAL A 112 -1.408 8.907 -8.171 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.193 6.450 -9.066 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.902 5.703 -10.223 1.00 0.44 C ATOM 1747 CG2 VAL A 112 0.902 5.500 -8.516 1.00 0.40 C ATOM 0 H VAL A 112 1.665 8.459 -7.977 1.00 0.33 H new ATOM 0 HA VAL A 112 0.477 7.798 -10.612 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.874 6.682 -8.247 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.238 4.726 -9.874 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.761 6.284 -10.558 1.00 0.44 H new ATOM 0 HG13 VAL A 112 -0.207 5.573 -11.052 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.450 4.551 -8.229 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.653 5.326 -9.287 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.374 5.955 -7.645 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.864 9.988 -10.102 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.844 11.062 -9.920 1.00 0.38 C ATOM 1759 C LYS A 113 -2.983 10.986 -10.947 1.00 0.43 C ATOM 1760 O LYS A 113 -3.092 11.765 -11.900 1.00 0.70 O ATOM 1761 CB LYS A 113 -1.183 12.451 -9.907 1.00 0.42 C ATOM 1762 CG LYS A 113 -0.348 12.808 -11.176 1.00 1.12 C ATOM 1763 CD LYS A 113 -0.634 14.238 -11.696 1.00 1.27 C ATOM 1764 CE LYS A 113 -0.243 15.327 -10.685 1.00 1.50 C ATOM 1765 NZ LYS A 113 -0.623 16.684 -11.167 1.00 2.30 N ATOM 0 H LYS A 113 -0.307 10.065 -10.953 1.00 0.36 H new ATOM 0 HA LYS A 113 -2.291 10.911 -8.937 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.961 13.204 -9.782 1.00 0.42 H new ATOM 0 HB3 LYS A 113 -0.533 12.517 -9.035 1.00 0.42 H new ATOM 0 HG2 LYS A 113 0.713 12.715 -10.946 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -0.567 12.088 -11.965 1.00 1.12 H new ATOM 0 HD2 LYS A 113 -0.087 14.398 -12.625 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -1.695 14.330 -11.930 1.00 1.27 H new ATOM 0 HE2 LYS A 113 -0.730 15.130 -9.730 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.832 15.291 -10.508 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 -0.344 17.394 -10.460 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 -0.138 16.881 -12.066 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 -1.652 16.725 -11.312 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.830 10.018 -10.638 1.00 0.37 N ATOM 1780 CA ASP A 114 -5.063 9.601 -11.359 1.00 0.42 C ATOM 1781 C ASP A 114 -5.381 8.133 -10.963 1.00 0.38 C ATOM 1782 O ASP A 114 -5.415 7.237 -11.815 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.073 9.817 -12.950 1.00 0.50 C ATOM 1784 CG ASP A 114 -3.937 9.162 -13.788 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.100 7.994 -14.199 1.00 2.48 O ATOM 1786 OD2 ASP A 114 -2.909 9.830 -14.022 1.00 2.09 O ATOM 0 H ASP A 114 -3.677 9.443 -9.809 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.853 10.279 -11.037 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -6.024 9.445 -13.331 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.051 10.890 -13.141 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.637 7.888 -9.648 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.905 6.527 -9.170 1.00 0.36 C ATOM 1793 C LEU A 115 -7.394 6.159 -9.130 1.00 0.38 C ATOM 1794 O LEU A 115 -8.145 6.567 -8.240 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.244 6.210 -7.805 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.177 5.057 -7.795 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.405 5.031 -6.507 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.764 3.663 -8.038 1.00 1.06 C ATOM 0 H LEU A 115 -5.661 8.606 -8.924 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.435 5.898 -9.926 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.768 7.119 -7.437 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -6.031 5.953 -7.096 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.516 5.290 -8.630 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.676 4.221 -6.536 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.887 5.981 -6.374 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -4.091 4.872 -5.675 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.964 2.923 -8.016 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.492 3.434 -7.260 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.254 3.639 -9.011 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.778 5.406 -10.169 1.00 0.39 N ATOM 1811 CA ASP A 116 -9.116 4.840 -10.325 1.00 0.43 C ATOM 1812 C ASP A 116 -8.950 3.301 -10.303 1.00 0.42 C ATOM 1813 O ASP A 116 -8.634 2.679 -11.327 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.771 5.324 -11.638 1.00 0.46 C ATOM 1815 CG ASP A 116 -11.265 5.610 -11.498 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -12.030 4.663 -11.218 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -11.662 6.782 -11.667 1.00 1.83 O ATOM 0 H ASP A 116 -7.151 5.171 -10.938 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.777 5.164 -9.521 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -9.265 6.228 -11.976 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.623 4.568 -12.410 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.181 2.706 -9.104 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.004 1.237 -8.824 1.00 0.42 C ATOM 1824 C ILE A 117 -9.968 0.285 -9.655 1.00 0.44 C ATOM 1825 O ILE A 117 -9.575 -0.841 -9.986 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.088 0.955 -7.249 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.493 2.154 -6.431 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.338 -0.352 -6.822 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.487 2.965 -5.600 1.00 0.68 C ATOM 0 H ILE A 117 -9.499 3.229 -8.288 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.005 0.979 -9.177 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.148 0.832 -7.029 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.725 1.765 -5.762 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -7.997 2.830 -7.127 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.430 -0.489 -5.745 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -8.777 -1.208 -7.336 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.284 -0.270 -7.088 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -8.959 3.765 -5.080 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.244 3.396 -6.256 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -9.968 2.314 -4.870 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.184 0.776 -10.043 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.159 -0.005 -10.867 1.00 0.51 C ATOM 1843 C PHE A 118 -11.740 -0.077 -12.376 1.00 0.53 C ATOM 1844 O PHE A 118 -11.941 -1.104 -13.025 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.573 0.602 -10.737 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.706 -0.345 -11.147 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.147 -1.365 -10.297 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.336 -0.201 -12.383 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.180 -2.208 -10.673 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.369 -1.045 -12.760 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.756 -2.096 -11.888 1.00 0.77 C ATOM 0 H PHE A 118 -11.512 1.710 -9.798 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.163 -1.025 -10.482 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.729 0.911 -9.703 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.627 1.502 -11.350 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.676 -1.497 -9.334 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -15.014 0.580 -13.056 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.529 -2.964 -9.985 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.873 -0.905 -13.705 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.510 -2.805 -12.197 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.155 1.040 -12.911 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.621 1.131 -14.308 1.00 0.54 C ATOM 1863 C ASP A 119 -9.255 0.367 -14.499 1.00 0.53 C ATOM 1864 O ASP A 119 -8.948 -0.067 -15.613 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.462 2.620 -14.708 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.702 2.918 -16.197 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.438 2.151 -16.856 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.136 3.913 -16.698 1.00 0.91 O ATOM 0 H ASP A 119 -11.041 1.905 -12.383 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.344 0.641 -14.961 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -11.156 3.216 -14.116 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.456 2.947 -14.444 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.454 0.219 -13.399 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.146 -0.496 -13.426 1.00 0.48 C ATOM 1875 C ARG A 120 -7.293 -2.045 -13.424 1.00 0.50 C ATOM 1876 O ARG A 120 -6.757 -2.704 -14.319 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.259 -0.072 -12.237 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.941 1.442 -12.143 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.953 1.933 -13.226 1.00 0.52 C ATOM 1880 NE ARG A 120 -3.691 1.193 -13.211 1.00 1.23 N ATOM 1881 CZ ARG A 120 -2.698 1.412 -14.069 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.820 2.338 -15.010 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -1.579 0.704 -13.985 1.00 2.43 N ATOM 0 H ARG A 120 -8.697 0.589 -12.480 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.674 -0.209 -14.366 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.750 -0.380 -11.314 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.318 -0.619 -12.296 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.870 2.006 -12.227 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.525 1.657 -11.159 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -5.417 1.834 -14.208 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.750 2.993 -13.074 1.00 0.52 H new ATOM 0 HE ARG A 120 -3.565 0.469 -12.504 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -3.678 2.886 -15.078 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -2.056 2.503 -15.666 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -1.480 -0.009 -13.262 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -0.818 0.873 -14.643 1.00 2.43 H new ATOM 1897 N VAL A 121 -8.018 -2.626 -12.425 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.241 -4.117 -12.388 1.00 0.51 C ATOM 1899 C VAL A 121 -9.571 -4.582 -13.089 1.00 0.56 C ATOM 1900 O VAL A 121 -9.566 -5.604 -13.781 1.00 0.62 O ATOM 1901 CB VAL A 121 -8.114 -4.817 -10.947 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.647 -5.164 -10.627 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.706 -4.015 -9.748 1.00 0.93 C ATOM 0 H VAL A 121 -8.448 -2.113 -11.656 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.392 -4.471 -12.974 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.725 -5.714 -11.046 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.590 -5.636 -9.646 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.262 -5.849 -11.382 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -6.049 -4.252 -10.626 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.565 -4.581 -8.827 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -8.197 -3.055 -9.666 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.771 -3.848 -9.912 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.690 -3.833 -12.904 1.00 0.57 N ATOM 1914 CA GLY A 122 -11.980 -4.199 -13.525 1.00 0.63 C ATOM 1915 C GLY A 122 -13.028 -4.691 -12.521 1.00 0.66 C ATOM 1916 O GLY A 122 -14.026 -4.015 -12.266 1.00 0.85 O ATOM 0 H GLY A 122 -10.721 -2.985 -12.338 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.376 -3.334 -14.056 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.808 -4.978 -14.268 1.00 0.63 H new ATOM 1920 N HIS A 123 -12.771 -5.888 -11.967 1.00 0.72 N ATOM 1921 CA HIS A 123 -13.633 -6.547 -10.959 1.00 0.87 C ATOM 1922 C HIS A 123 -13.014 -6.456 -9.539 1.00 0.73 C ATOM 1923 O HIS A 123 -11.900 -5.938 -9.370 1.00 1.34 O ATOM 1924 CB HIS A 123 -13.859 -8.023 -11.341 1.00 1.38 C ATOM 1925 CG HIS A 123 -14.916 -8.240 -12.388 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -15.908 -9.190 -12.265 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -15.134 -7.626 -13.577 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -16.686 -9.153 -13.332 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -16.238 -8.213 -14.142 1.00 3.01 N ATOM 0 H HIS A 123 -11.946 -6.437 -12.208 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.590 -6.026 -10.944 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -12.918 -8.441 -11.700 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -14.133 -8.579 -10.445 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -14.548 -6.824 -14.001 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -17.543 -9.785 -13.511 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -16.646 -7.963 -15.043 1.00 3.01 H new ATOM 1938 N SER A 124 -13.757 -6.938 -8.503 1.00 0.86 N ATOM 1939 CA SER A 124 -13.297 -6.916 -7.075 1.00 0.70 C ATOM 1940 C SER A 124 -12.185 -7.973 -6.769 1.00 0.99 C ATOM 1941 O SER A 124 -12.450 -9.086 -6.303 1.00 2.08 O ATOM 1942 CB SER A 124 -14.496 -7.123 -6.135 1.00 0.73 C ATOM 1943 OG SER A 124 -15.317 -5.965 -6.077 1.00 1.20 O ATOM 0 H SER A 124 -14.682 -7.349 -8.627 1.00 0.86 H new ATOM 0 HA SER A 124 -12.851 -5.936 -6.903 1.00 0.70 H new ATOM 0 HB2 SER A 124 -15.087 -7.972 -6.478 1.00 0.73 H new ATOM 0 HB3 SER A 124 -14.138 -7.367 -5.135 1.00 0.73 H new ATOM 0 HG SER A 124 -16.071 -6.129 -5.473 1.00 1.20 H new ATOM 1949 N THR A 125 -10.941 -7.558 -7.068 1.00 0.56 N ATOM 1950 CA THR A 125 -9.701 -8.373 -6.917 1.00 0.51 C ATOM 1951 C THR A 125 -8.614 -7.529 -6.160 1.00 0.48 C ATOM 1952 O THR A 125 -8.953 -6.630 -5.376 1.00 0.51 O ATOM 1953 CB THR A 125 -9.149 -8.835 -8.349 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.111 -7.732 -9.279 1.00 0.62 O ATOM 1955 CG2 THR A 125 -9.956 -9.985 -9.008 1.00 0.62 C ATOM 0 H THR A 125 -10.755 -6.623 -7.432 1.00 0.56 H new ATOM 0 HA THR A 125 -9.932 -9.268 -6.340 1.00 0.51 H new ATOM 0 HB THR A 125 -8.146 -9.208 -8.139 1.00 0.55 H new ATOM 0 HG1 THR A 125 -8.769 -8.044 -10.143 1.00 0.62 H new ATOM 0 HG21 THR A 125 -9.514 -10.234 -9.973 1.00 0.62 H new ATOM 0 HG22 THR A 125 -9.934 -10.862 -8.361 1.00 0.62 H new ATOM 0 HG23 THR A 125 -10.989 -9.668 -9.154 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.301 -7.832 -6.371 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.196 -7.072 -5.739 1.00 0.43 C ATOM 1965 C ALA A 126 -5.455 -6.146 -6.756 1.00 0.38 C ATOM 1966 O ALA A 126 -5.061 -6.580 -7.854 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.190 -8.036 -5.072 1.00 0.46 C ATOM 0 H ALA A 126 -6.989 -8.595 -6.972 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.644 -6.432 -4.979 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.385 -7.462 -4.613 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -5.700 -8.622 -4.307 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -4.774 -8.706 -5.825 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.290 -4.847 -6.390 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.555 -3.864 -7.230 1.00 0.32 C ATOM 1975 C HIS A 127 -3.117 -3.675 -6.675 1.00 0.31 C ATOM 1976 O HIS A 127 -2.905 -3.660 -5.458 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.306 -2.506 -7.294 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.709 -1.485 -8.253 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.128 -1.823 -9.463 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.559 -0.139 -8.143 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.646 -0.735 -10.038 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -3.898 0.296 -9.260 1.00 0.38 N ATOM 0 H HIS A 127 -5.655 -4.457 -5.521 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.495 -4.251 -8.247 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.340 -2.693 -7.584 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.329 -2.073 -6.294 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -4.899 0.476 -7.323 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.132 -0.698 -10.987 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.642 1.263 -9.457 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.138 -3.520 -7.576 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.731 -3.392 -7.152 1.00 0.33 C ATOM 1993 C ASP A 128 0.059 -2.279 -7.868 1.00 0.30 C ATOM 1994 O ASP A 128 0.088 -2.193 -9.101 1.00 0.42 O ATOM 1995 CB ASP A 128 0.048 -4.765 -7.244 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.054 -5.549 -8.578 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.747 -5.268 -9.495 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -0.931 -6.432 -8.682 1.00 2.10 O ATOM 0 H ASP A 128 -2.286 -3.480 -8.584 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.797 -3.091 -6.106 1.00 0.33 H new ATOM 0 HB2 ASP A 128 1.102 -4.569 -7.047 1.00 0.45 H new ATOM 0 HB3 ASP A 128 -0.311 -5.412 -6.444 1.00 0.45 H new ATOM 2003 N GLU A 129 0.696 -1.434 -7.043 1.00 0.25 N ATOM 2004 CA GLU A 129 1.569 -0.359 -7.522 1.00 0.30 C ATOM 2005 C GLU A 129 3.011 -0.583 -7.008 1.00 0.27 C ATOM 2006 O GLU A 129 3.267 -0.610 -5.788 1.00 0.25 O ATOM 2007 CB GLU A 129 1.032 1.018 -7.086 1.00 0.43 C ATOM 2008 CG GLU A 129 -0.298 1.430 -7.756 1.00 0.91 C ATOM 2009 CD GLU A 129 -0.179 1.631 -9.261 1.00 0.76 C ATOM 2010 OE1 GLU A 129 0.724 2.381 -9.692 1.00 1.12 O ATOM 2011 OE2 GLU A 129 -0.992 1.046 -10.007 1.00 1.56 O ATOM 0 H GLU A 129 0.619 -1.479 -6.027 1.00 0.25 H new ATOM 0 HA GLU A 129 1.583 -0.377 -8.612 1.00 0.30 H new ATOM 0 HB2 GLU A 129 0.893 1.014 -6.005 1.00 0.43 H new ATOM 0 HB3 GLU A 129 1.785 1.774 -7.308 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -1.049 0.665 -7.557 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.655 2.354 -7.300 1.00 0.91 H new ATOM 2018 N ILE A 130 3.934 -0.762 -7.979 1.00 0.28 N ATOM 2019 CA ILE A 130 5.373 -1.028 -7.719 1.00 0.28 C ATOM 2020 C ILE A 130 6.253 0.191 -8.094 1.00 0.29 C ATOM 2021 O ILE A 130 6.270 0.634 -9.249 1.00 0.39 O ATOM 2022 CB ILE A 130 5.914 -2.303 -8.499 1.00 0.31 C ATOM 2023 CG1 ILE A 130 4.791 -3.059 -9.280 1.00 0.37 C ATOM 2024 CG2 ILE A 130 6.640 -3.297 -7.548 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.646 -2.667 -10.750 1.00 0.45 C ATOM 0 H ILE A 130 3.704 -0.726 -8.972 1.00 0.28 H new ATOM 0 HA ILE A 130 5.444 -1.221 -6.649 1.00 0.28 H new ATOM 0 HB ILE A 130 6.628 -1.916 -9.226 1.00 0.31 H new ATOM 0 HG12 ILE A 130 4.988 -4.129 -9.223 1.00 0.37 H new ATOM 0 HG13 ILE A 130 3.840 -2.883 -8.778 1.00 0.37 H new ATOM 0 HG21 ILE A 130 6.995 -4.155 -8.120 1.00 0.37 H new ATOM 0 HG22 ILE A 130 7.488 -2.798 -7.079 1.00 0.37 H new ATOM 0 HG23 ILE A 130 5.947 -3.636 -6.778 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.842 -3.246 -11.203 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.413 -1.605 -10.822 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.580 -2.870 -11.275 1.00 0.45 H new ATOM 2037 N ILE A 131 6.988 0.705 -7.091 1.00 0.21 N ATOM 2038 CA ILE A 131 7.872 1.869 -7.272 1.00 0.26 C ATOM 2039 C ILE A 131 9.282 1.601 -6.630 1.00 0.18 C ATOM 2040 O ILE A 131 9.434 1.789 -5.415 1.00 0.18 O ATOM 2041 CB ILE A 131 7.254 3.198 -6.639 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.692 3.216 -6.668 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.774 4.478 -7.369 1.00 0.62 C ATOM 2044 CD1 ILE A 131 5.009 3.053 -5.311 1.00 0.84 C ATOM 0 H ILE A 131 6.986 0.330 -6.143 1.00 0.21 H new ATOM 0 HA ILE A 131 7.977 2.018 -8.347 1.00 0.26 H new ATOM 0 HB ILE A 131 7.584 3.200 -5.600 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.365 4.157 -7.110 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.349 2.418 -7.327 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.332 5.363 -6.911 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.860 4.529 -7.284 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.494 4.436 -8.421 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.927 3.079 -5.443 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.298 2.099 -4.871 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.314 3.865 -4.650 1.00 0.84 H new ATOM 2056 N PRO A 132 10.333 1.123 -7.413 1.00 0.13 N ATOM 2057 CA PRO A 132 11.728 0.938 -6.880 1.00 0.09 C ATOM 2058 C PRO A 132 12.505 2.268 -6.721 1.00 0.08 C ATOM 2059 O PRO A 132 12.447 3.143 -7.590 1.00 0.16 O ATOM 2060 CB PRO A 132 12.423 0.053 -7.939 1.00 0.13 C ATOM 2061 CG PRO A 132 11.294 -0.519 -8.746 1.00 0.16 C ATOM 2062 CD PRO A 132 10.253 0.586 -8.795 1.00 0.16 C ATOM 0 HA PRO A 132 11.702 0.502 -5.881 1.00 0.09 H new ATOM 0 HB2 PRO A 132 13.101 0.637 -8.562 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.016 -0.733 -7.472 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.624 -0.796 -9.747 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.893 -1.420 -8.282 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.491 1.342 -9.544 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.260 0.205 -9.031 1.00 0.16 H new ATOM 2070 N ILE A 133 13.222 2.388 -5.593 1.00 0.07 N ATOM 2071 CA ILE A 133 13.985 3.603 -5.241 1.00 0.08 C ATOM 2072 C ILE A 133 15.513 3.308 -5.116 1.00 0.08 C ATOM 2073 O ILE A 133 15.934 2.234 -4.669 1.00 0.10 O ATOM 2074 CB ILE A 133 13.442 4.239 -3.879 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.904 3.981 -3.691 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.728 5.777 -3.791 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.450 3.631 -2.266 1.00 0.38 C ATOM 0 H ILE A 133 13.291 1.646 -4.896 1.00 0.07 H new ATOM 0 HA ILE A 133 13.842 4.319 -6.051 1.00 0.08 H new ATOM 0 HB ILE A 133 13.985 3.741 -3.076 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.364 4.871 -4.015 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.608 3.169 -4.355 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.341 6.166 -2.849 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.803 5.951 -3.841 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.239 6.286 -4.621 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.371 3.474 -2.256 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.952 2.721 -1.937 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.704 4.449 -1.592 1.00 0.38 H new ATOM 2089 N SER A 134 16.317 4.311 -5.514 1.00 0.10 N ATOM 2090 CA SER A 134 17.780 4.233 -5.428 1.00 0.12 C ATOM 2091 C SER A 134 18.357 5.488 -4.736 1.00 0.13 C ATOM 2092 O SER A 134 18.293 6.604 -5.269 1.00 0.15 O ATOM 2093 CB SER A 134 18.432 4.001 -6.824 1.00 0.15 C ATOM 2094 OG SER A 134 17.930 4.879 -7.836 1.00 1.31 O ATOM 0 H SER A 134 15.971 5.189 -5.900 1.00 0.10 H new ATOM 0 HA SER A 134 18.028 3.366 -4.815 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.511 4.134 -6.740 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.261 2.969 -7.130 1.00 0.15 H new ATOM 0 HG SER A 134 18.377 4.687 -8.687 1.00 1.31 H new ATOM 2100 N ILE A 135 18.913 5.273 -3.527 1.00 0.13 N ATOM 2101 CA ILE A 135 19.522 6.348 -2.706 1.00 0.15 C ATOM 2102 C ILE A 135 21.061 6.090 -2.597 1.00 0.18 C ATOM 2103 O ILE A 135 21.486 5.035 -2.112 1.00 0.18 O ATOM 2104 CB ILE A 135 18.831 6.457 -1.263 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.278 6.260 -1.361 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.168 7.810 -0.539 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.580 5.611 -0.140 1.00 0.15 C ATOM 0 H ILE A 135 18.954 4.352 -3.090 1.00 0.13 H new ATOM 0 HA ILE A 135 19.355 7.309 -3.193 1.00 0.15 H new ATOM 0 HB ILE A 135 19.247 5.651 -0.658 1.00 0.16 H new ATOM 0 HG12 ILE A 135 16.822 7.235 -1.535 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.067 5.648 -2.238 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.676 7.834 0.434 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.246 7.891 -0.403 1.00 0.25 H new ATOM 0 HG23 ILE A 135 18.815 8.645 -1.145 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.510 5.531 -0.333 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.994 4.617 0.030 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.744 6.228 0.743 1.00 0.15 H new ATOM 2119 N LYS A 136 21.868 7.077 -3.055 1.00 0.20 N ATOM 2120 CA LYS A 136 23.346 6.971 -3.043 1.00 0.23 C ATOM 2121 C LYS A 136 24.011 8.303 -2.689 1.00 0.28 C ATOM 2122 O LYS A 136 23.675 9.356 -3.250 1.00 0.29 O ATOM 2123 CB LYS A 136 23.861 6.482 -4.407 1.00 0.22 C ATOM 2124 CG LYS A 136 23.539 5.003 -4.684 1.00 0.25 C ATOM 2125 CD LYS A 136 23.736 4.613 -6.166 1.00 0.94 C ATOM 2126 CE LYS A 136 23.478 3.119 -6.421 1.00 1.23 C ATOM 2127 NZ LYS A 136 23.668 2.766 -7.856 1.00 2.05 N ATOM 0 H LYS A 136 21.519 7.956 -3.437 1.00 0.20 H new ATOM 0 HA LYS A 136 23.611 6.247 -2.273 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.423 7.096 -5.194 1.00 0.22 H new ATOM 0 HB3 LYS A 136 24.940 6.627 -4.453 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.175 4.375 -4.060 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.508 4.800 -4.394 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.064 5.206 -6.787 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.753 4.860 -6.471 1.00 0.94 H new ATOM 0 HE2 LYS A 136 24.153 2.523 -5.807 1.00 1.23 H new ATOM 0 HE3 LYS A 136 22.462 2.867 -6.115 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 23.486 1.751 -7.991 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 23.007 3.317 -8.440 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 24.644 2.983 -8.141 1.00 2.05 H new ATOM 2141 N LYS A 137 24.953 8.241 -1.695 1.00 0.33 N ATOM 2142 CA LYS A 137 25.741 9.421 -1.162 1.00 0.40 C ATOM 2143 C LYS A 137 24.887 10.494 -0.404 1.00 0.39 C ATOM 2144 O LYS A 137 25.354 11.611 -0.158 1.00 0.42 O ATOM 2145 CB LYS A 137 26.547 10.104 -2.296 1.00 0.44 C ATOM 2146 CG LYS A 137 27.691 9.236 -2.874 1.00 0.99 C ATOM 2147 CD LYS A 137 28.339 9.847 -4.145 1.00 1.59 C ATOM 2148 CE LYS A 137 27.568 9.499 -5.436 1.00 2.70 C ATOM 2149 NZ LYS A 137 27.624 8.040 -5.735 1.00 3.55 N ATOM 0 H LYS A 137 25.195 7.365 -1.232 1.00 0.33 H new ATOM 0 HA LYS A 137 26.415 8.992 -0.420 1.00 0.40 H new ATOM 0 HB2 LYS A 137 25.864 10.369 -3.103 1.00 0.44 H new ATOM 0 HB3 LYS A 137 26.969 11.035 -1.917 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.458 9.102 -2.111 1.00 0.99 H new ATOM 0 HG3 LYS A 137 27.302 8.246 -3.112 1.00 0.99 H new ATOM 0 HD2 LYS A 137 28.388 10.931 -4.037 1.00 1.59 H new ATOM 0 HD3 LYS A 137 29.365 9.489 -4.232 1.00 1.59 H new ATOM 0 HE2 LYS A 137 26.528 9.810 -5.334 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.987 10.058 -6.272 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 27.374 7.880 -6.732 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 28.586 7.686 -5.558 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 26.951 7.534 -5.124 1.00 3.55 H new ATOM 2163 N GLY A 138 23.642 10.114 -0.033 1.00 0.35 N ATOM 2164 CA GLY A 138 22.700 11.012 0.645 1.00 0.36 C ATOM 2165 C GLY A 138 21.660 11.678 -0.289 1.00 0.33 C ATOM 2166 O GLY A 138 21.049 12.678 0.100 1.00 0.37 O ATOM 0 H GLY A 138 23.271 9.178 -0.198 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.171 10.449 1.414 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.265 11.793 1.154 1.00 0.36 H new ATOM 2170 N LYS A 139 21.455 11.124 -1.519 1.00 0.29 N ATOM 2171 CA LYS A 139 20.482 11.689 -2.478 1.00 0.29 C ATOM 2172 C LYS A 139 19.510 10.630 -3.019 1.00 0.26 C ATOM 2173 O LYS A 139 19.900 9.496 -3.315 1.00 0.25 O ATOM 2174 CB LYS A 139 21.197 12.356 -3.659 1.00 0.33 C ATOM 2175 CG LYS A 139 22.062 13.584 -3.284 1.00 0.65 C ATOM 2176 CD LYS A 139 22.890 14.144 -4.473 1.00 0.67 C ATOM 2177 CE LYS A 139 22.021 14.808 -5.564 1.00 1.00 C ATOM 2178 NZ LYS A 139 21.074 15.808 -4.996 1.00 1.56 N ATOM 0 H LYS A 139 21.947 10.298 -1.859 1.00 0.29 H new ATOM 0 HA LYS A 139 19.908 12.432 -1.925 1.00 0.29 H new ATOM 0 HB2 LYS A 139 21.833 11.616 -4.146 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.450 12.665 -4.390 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.414 14.372 -2.900 1.00 0.65 H new ATOM 0 HG3 LYS A 139 22.741 13.308 -2.477 1.00 0.65 H new ATOM 0 HD2 LYS A 139 23.607 14.873 -4.096 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.465 13.333 -4.920 1.00 0.67 H new ATOM 0 HE2 LYS A 139 22.667 15.295 -6.294 1.00 1.00 H new ATOM 0 HE3 LYS A 139 21.460 14.040 -6.097 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 20.987 16.613 -5.649 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 20.142 15.367 -4.864 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 21.432 16.143 -4.079 1.00 1.56 H new ATOM 2192 N LEU A 140 18.245 11.047 -3.222 1.00 0.25 N ATOM 2193 CA LEU A 140 17.168 10.151 -3.690 1.00 0.24 C ATOM 2194 C LEU A 140 16.884 10.255 -5.205 1.00 0.26 C ATOM 2195 O LEU A 140 16.933 11.335 -5.801 1.00 0.34 O ATOM 2196 CB LEU A 140 15.875 10.473 -2.906 1.00 0.24 C ATOM 2197 CG LEU A 140 14.853 9.318 -2.695 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.450 9.186 -1.233 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.604 9.522 -3.531 1.00 0.25 C ATOM 0 H LEU A 140 17.942 12.008 -3.067 1.00 0.25 H new ATOM 0 HA LEU A 140 17.505 9.130 -3.509 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.162 10.851 -1.925 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.363 11.285 -3.422 1.00 0.24 H new ATOM 0 HG LEU A 140 15.353 8.403 -3.012 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.736 8.370 -1.125 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.333 8.978 -0.629 1.00 0.22 H new ATOM 0 HD13 LEU A 140 13.992 10.116 -0.897 1.00 0.22 H new ATOM 0 HD21 LEU A 140 12.912 8.697 -3.359 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.127 10.461 -3.249 1.00 0.25 H new ATOM 0 HD23 LEU A 140 13.874 9.555 -4.587 1.00 0.25 H new ATOM 2211 N SER A 141 16.571 9.095 -5.801 1.00 0.21 N ATOM 2212 CA SER A 141 16.246 8.995 -7.228 1.00 0.22 C ATOM 2213 C SER A 141 14.991 8.125 -7.446 1.00 0.19 C ATOM 2214 O SER A 141 15.005 6.913 -7.170 1.00 0.16 O ATOM 2215 CB SER A 141 17.437 8.403 -7.998 1.00 0.25 C ATOM 2216 OG SER A 141 17.577 8.993 -9.284 1.00 0.64 O ATOM 0 H SER A 141 16.537 8.203 -5.307 1.00 0.21 H new ATOM 0 HA SER A 141 16.038 9.997 -7.604 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.352 8.555 -7.426 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.303 7.326 -8.104 1.00 0.25 H new ATOM 0 HG SER A 141 18.345 8.595 -9.745 1.00 0.64 H new ATOM 2222 N VAL A 142 13.905 8.764 -7.935 1.00 0.21 N ATOM 2223 CA VAL A 142 12.641 8.061 -8.214 1.00 0.22 C ATOM 2224 C VAL A 142 12.283 8.152 -9.754 1.00 0.25 C ATOM 2225 O VAL A 142 11.954 9.227 -10.269 1.00 0.26 O ATOM 2226 CB VAL A 142 11.470 8.494 -7.155 1.00 0.27 C ATOM 2227 CG1 VAL A 142 10.476 9.619 -7.578 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.667 7.259 -6.717 1.00 0.41 C ATOM 0 H VAL A 142 13.882 9.762 -8.143 1.00 0.21 H new ATOM 0 HA VAL A 142 12.752 6.992 -8.032 1.00 0.22 H new ATOM 0 HB VAL A 142 12.042 8.940 -6.341 1.00 0.27 H new ATOM 0 HG11 VAL A 142 9.761 9.794 -6.774 1.00 0.46 H new ATOM 0 HG12 VAL A 142 11.029 10.537 -7.777 1.00 0.46 H new ATOM 0 HG13 VAL A 142 9.943 9.314 -8.478 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.891 7.560 -6.013 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.205 6.797 -7.590 1.00 0.41 H new ATOM 0 HG23 VAL A 142 11.334 6.543 -6.237 1.00 0.41 H new ATOM 2238 N GLN A 143 12.422 6.992 -10.471 1.00 0.31 N ATOM 2239 CA GLN A 143 12.128 6.828 -11.947 1.00 0.39 C ATOM 2240 C GLN A 143 13.104 7.622 -12.876 1.00 0.41 C ATOM 2241 O GLN A 143 14.069 7.059 -13.402 1.00 0.46 O ATOM 2242 CB GLN A 143 10.645 7.174 -12.285 1.00 0.44 C ATOM 2243 CG GLN A 143 9.596 6.446 -11.434 1.00 0.65 C ATOM 2244 CD GLN A 143 9.555 4.946 -11.673 1.00 0.87 C ATOM 2245 OE1 GLN A 143 8.832 4.461 -12.544 1.00 1.56 O ATOM 2246 NE2 GLN A 143 10.334 4.205 -10.892 1.00 1.12 N ATOM 0 H GLN A 143 12.746 6.127 -10.039 1.00 0.31 H new ATOM 0 HA GLN A 143 12.295 5.771 -12.154 1.00 0.39 H new ATOM 0 HB2 GLN A 143 10.503 8.248 -12.168 1.00 0.44 H new ATOM 0 HB3 GLN A 143 10.464 6.941 -13.334 1.00 0.44 H new ATOM 0 HG2 GLN A 143 9.802 6.632 -10.380 1.00 0.65 H new ATOM 0 HG3 GLN A 143 8.613 6.866 -11.646 1.00 0.65 H new ATOM 0 HE21 GLN A 143 10.917 4.650 -10.183 1.00 1.12 H new ATOM 0 HE22 GLN A 143 10.349 3.191 -11.001 1.00 1.12 H new ATOM 2255 N GLY A 144 12.816 8.926 -13.050 1.00 0.40 N ATOM 2256 CA GLY A 144 13.648 9.826 -13.849 1.00 0.45 C ATOM 2257 C GLY A 144 13.779 11.230 -13.224 1.00 0.42 C ATOM 2258 O GLY A 144 13.905 12.222 -13.949 1.00 0.49 O ATOM 0 H GLY A 144 12.000 9.378 -12.638 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.640 9.390 -13.964 1.00 0.45 H new ATOM 0 HA3 GLY A 144 13.222 9.916 -14.848 1.00 0.45 H new ATOM 2262 N GLU A 145 13.749 11.300 -11.869 1.00 0.33 N ATOM 2263 CA GLU A 145 13.860 12.559 -11.115 1.00 0.32 C ATOM 2264 C GLU A 145 14.860 12.408 -9.954 1.00 0.27 C ATOM 2265 O GLU A 145 14.746 11.488 -9.135 1.00 0.36 O ATOM 2266 CB GLU A 145 12.472 12.973 -10.566 1.00 0.37 C ATOM 2267 CG GLU A 145 12.199 14.486 -10.572 1.00 0.80 C ATOM 2268 CD GLU A 145 10.843 14.834 -9.986 1.00 1.16 C ATOM 2269 OE1 GLU A 145 9.821 14.565 -10.652 1.00 1.53 O ATOM 2270 OE2 GLU A 145 10.804 15.374 -8.860 1.00 1.82 O ATOM 0 H GLU A 145 13.647 10.478 -11.274 1.00 0.33 H new ATOM 0 HA GLU A 145 14.224 13.335 -11.789 1.00 0.32 H new ATOM 0 HB2 GLU A 145 11.701 12.477 -11.156 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.377 12.605 -9.544 1.00 0.37 H new ATOM 0 HG2 GLU A 145 12.978 14.995 -10.004 1.00 0.80 H new ATOM 0 HG3 GLU A 145 12.256 14.858 -11.595 1.00 0.80 H new ATOM 2277 N VAL A 146 15.829 13.336 -9.878 1.00 0.30 N ATOM 2278 CA VAL A 146 16.868 13.301 -8.827 1.00 0.27 C ATOM 2279 C VAL A 146 16.773 14.556 -7.864 1.00 0.28 C ATOM 2280 O VAL A 146 16.676 15.707 -8.308 1.00 0.32 O ATOM 2281 CB VAL A 146 18.328 13.008 -9.485 1.00 0.31 C ATOM 2282 CG1 VAL A 146 19.021 14.206 -10.211 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.317 12.360 -8.481 1.00 0.72 C ATOM 0 H VAL A 146 15.917 14.118 -10.527 1.00 0.30 H new ATOM 0 HA VAL A 146 16.691 12.461 -8.156 1.00 0.27 H new ATOM 0 HB VAL A 146 18.080 12.297 -10.274 1.00 0.31 H new ATOM 0 HG11 VAL A 146 19.985 13.884 -10.606 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.390 14.549 -11.031 1.00 1.02 H new ATOM 0 HG13 VAL A 146 19.173 15.022 -9.504 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.274 12.187 -8.973 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.462 13.027 -7.631 1.00 0.72 H new ATOM 0 HG23 VAL A 146 18.911 11.410 -8.132 1.00 0.72 H new ATOM 2293 N SER A 147 16.796 14.270 -6.551 1.00 0.27 N ATOM 2294 CA SER A 147 16.724 15.291 -5.493 1.00 0.29 C ATOM 2295 C SER A 147 17.548 14.843 -4.262 1.00 0.29 C ATOM 2296 O SER A 147 18.332 13.885 -4.337 1.00 0.30 O ATOM 2297 CB SER A 147 15.252 15.539 -5.097 1.00 0.31 C ATOM 2298 OG SER A 147 14.647 16.513 -5.933 1.00 0.56 O ATOM 0 H SER A 147 16.866 13.318 -6.192 1.00 0.27 H new ATOM 0 HA SER A 147 17.145 16.223 -5.870 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.694 14.605 -5.162 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.204 15.868 -4.059 1.00 0.31 H new ATOM 0 HG SER A 147 15.087 16.512 -6.808 1.00 0.56 H new ATOM 2304 N THR A 148 17.404 15.554 -3.128 1.00 0.30 N ATOM 2305 CA THR A 148 18.132 15.190 -1.892 1.00 0.31 C ATOM 2306 C THR A 148 17.232 14.430 -0.850 1.00 0.27 C ATOM 2307 O THR A 148 16.051 14.756 -0.665 1.00 0.32 O ATOM 2308 CB THR A 148 18.946 16.430 -1.269 1.00 0.44 C ATOM 2309 OG1 THR A 148 19.859 15.977 -0.253 1.00 1.25 O ATOM 2310 CG2 THR A 148 18.090 17.589 -0.675 1.00 0.99 C ATOM 0 H THR A 148 16.801 16.372 -3.039 1.00 0.30 H new ATOM 0 HA THR A 148 18.891 14.464 -2.184 1.00 0.31 H new ATOM 0 HB THR A 148 19.464 16.851 -2.131 1.00 0.44 H new ATOM 0 HG1 THR A 148 20.347 16.744 0.114 1.00 1.25 H new ATOM 0 HG21 THR A 148 18.749 18.365 -0.286 1.00 0.99 H new ATOM 0 HG22 THR A 148 17.455 18.009 -1.455 1.00 0.99 H new ATOM 0 HG23 THR A 148 17.467 17.204 0.132 1.00 0.99 H new ATOM 2318 N PHE A 149 17.833 13.419 -0.182 1.00 0.26 N ATOM 2319 CA PHE A 149 17.143 12.622 0.868 1.00 0.24 C ATOM 2320 C PHE A 149 17.292 13.260 2.266 1.00 0.24 C ATOM 2321 O PHE A 149 18.387 13.643 2.696 1.00 0.29 O ATOM 2322 CB PHE A 149 17.680 11.156 0.918 1.00 0.23 C ATOM 2323 CG PHE A 149 17.099 10.252 2.045 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.719 10.001 2.132 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.925 9.653 3.013 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.198 9.196 3.132 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.395 8.849 4.008 1.00 0.26 C ATOM 2328 CZ PHE A 149 16.065 8.623 4.084 1.00 0.25 C ATOM 0 H PHE A 149 18.797 13.132 -0.350 1.00 0.26 H new ATOM 0 HA PHE A 149 16.087 12.610 0.597 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.475 10.682 -0.042 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.764 11.191 1.031 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.053 10.444 1.406 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.991 9.823 2.980 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.135 9.009 3.182 1.00 0.24 H new ATOM 0 HE2 PHE A 149 18.054 8.396 4.734 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.667 8.004 4.874 1.00 0.25 H new ATOM 2338 N THR A 150 16.149 13.335 2.953 1.00 0.25 N ATOM 2339 CA THR A 150 16.056 13.858 4.339 1.00 0.30 C ATOM 2340 C THR A 150 16.040 12.661 5.345 1.00 0.40 C ATOM 2341 O THR A 150 16.425 11.548 4.978 1.00 1.15 O ATOM 2342 CB THR A 150 14.813 14.814 4.552 1.00 0.66 C ATOM 2343 OG1 THR A 150 13.630 14.307 3.899 1.00 1.42 O ATOM 2344 CG2 THR A 150 15.089 16.251 4.054 1.00 1.18 C ATOM 0 H THR A 150 15.252 13.036 2.571 1.00 0.25 H new ATOM 0 HA THR A 150 16.935 14.474 4.526 1.00 0.30 H new ATOM 0 HB THR A 150 14.642 14.844 5.628 1.00 0.66 H new ATOM 0 HG1 THR A 150 12.882 14.922 4.053 1.00 1.42 H new ATOM 0 HG21 THR A 150 14.207 16.870 4.221 1.00 1.18 H new ATOM 0 HG22 THR A 150 15.935 16.669 4.600 1.00 1.18 H new ATOM 0 HG23 THR A 150 15.320 16.229 2.989 1.00 1.18 H new ATOM 2352 N GLY A 151 15.642 12.859 6.614 1.00 0.32 N ATOM 2353 CA GLY A 151 15.619 11.724 7.576 1.00 0.18 C ATOM 2354 C GLY A 151 14.359 10.803 7.555 1.00 0.20 C ATOM 2355 O GLY A 151 14.229 9.929 8.416 1.00 0.42 O ATOM 0 H GLY A 151 15.341 13.756 6.995 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.495 11.103 7.389 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.725 12.130 8.582 1.00 0.18 H new ATOM 2359 N LYS A 152 13.448 11.008 6.573 1.00 0.16 N ATOM 2360 CA LYS A 152 12.230 10.193 6.413 1.00 0.13 C ATOM 2361 C LYS A 152 11.655 10.306 4.984 1.00 0.13 C ATOM 2362 O LYS A 152 11.829 11.311 4.294 1.00 0.16 O ATOM 2363 CB LYS A 152 11.171 10.561 7.527 1.00 0.22 C ATOM 2364 CG LYS A 152 9.659 10.328 7.194 1.00 0.41 C ATOM 2365 CD LYS A 152 8.839 11.641 7.029 1.00 0.56 C ATOM 2366 CE LYS A 152 9.266 12.488 5.823 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.385 13.675 5.643 1.00 1.10 N ATOM 0 H LYS A 152 13.541 11.744 5.873 1.00 0.16 H new ATOM 0 HA LYS A 152 12.494 9.144 6.550 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.411 9.986 8.422 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.301 11.613 7.780 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.585 9.747 6.275 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.211 9.729 7.987 1.00 0.41 H new ATOM 0 HD2 LYS A 152 7.783 11.389 6.929 1.00 0.56 H new ATOM 0 HD3 LYS A 152 8.940 12.238 7.935 1.00 0.56 H new ATOM 0 HE2 LYS A 152 10.297 12.817 5.956 1.00 0.69 H new ATOM 0 HE3 LYS A 152 9.241 11.876 4.921 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.705 14.223 4.819 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 7.405 13.360 5.491 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 8.429 14.272 6.493 1.00 1.10 H new ATOM 2381 N LEU A 153 10.959 9.226 4.582 1.00 0.12 N ATOM 2382 CA LEU A 153 10.265 9.110 3.269 1.00 0.13 C ATOM 2383 C LEU A 153 8.730 9.187 3.495 1.00 0.13 C ATOM 2384 O LEU A 153 8.224 8.579 4.446 1.00 0.18 O ATOM 2385 CB LEU A 153 10.660 7.769 2.602 1.00 0.15 C ATOM 2386 CG LEU A 153 10.974 7.764 1.073 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.945 6.643 0.716 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.706 7.604 0.231 1.00 0.67 C ATOM 0 H LEU A 153 10.857 8.394 5.162 1.00 0.12 H new ATOM 0 HA LEU A 153 10.560 9.926 2.610 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.538 7.385 3.122 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.851 7.060 2.777 1.00 0.15 H new ATOM 0 HG LEU A 153 11.428 8.729 0.848 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.146 6.663 -0.355 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.878 6.782 1.263 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.506 5.682 0.985 1.00 0.43 H new ATOM 0 HD21 LEU A 153 9.969 7.606 -0.827 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.219 6.662 0.482 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.026 8.430 0.437 1.00 0.67 H new ATOM 2400 N SER A 154 7.969 9.919 2.640 1.00 0.14 N ATOM 2401 CA SER A 154 6.516 10.050 2.899 1.00 0.16 C ATOM 2402 C SER A 154 5.578 9.505 1.793 1.00 0.19 C ATOM 2403 O SER A 154 5.874 9.547 0.611 1.00 0.36 O ATOM 2404 CB SER A 154 6.190 11.538 3.141 1.00 0.21 C ATOM 2405 OG SER A 154 5.036 11.719 3.957 1.00 0.24 O ATOM 0 H SER A 154 8.314 10.402 1.811 1.00 0.14 H new ATOM 0 HA SER A 154 6.321 9.425 3.771 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.045 12.021 3.614 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.034 12.033 2.182 1.00 0.21 H new ATOM 0 HG SER A 154 4.872 10.904 4.476 1.00 0.24 H new ATOM 2411 N VAL A 155 4.430 8.960 2.227 1.00 0.16 N ATOM 2412 CA VAL A 155 3.374 8.476 1.284 1.00 0.19 C ATOM 2413 C VAL A 155 2.080 9.275 1.577 1.00 0.25 C ATOM 2414 O VAL A 155 1.328 8.935 2.495 1.00 0.30 O ATOM 2415 CB VAL A 155 3.022 6.905 1.290 1.00 0.28 C ATOM 2416 CG1 VAL A 155 3.171 6.295 -0.121 1.00 0.39 C ATOM 2417 CG2 VAL A 155 3.837 6.027 2.275 1.00 0.74 C ATOM 0 H VAL A 155 4.198 8.838 3.213 1.00 0.16 H new ATOM 0 HA VAL A 155 3.794 8.640 0.292 1.00 0.19 H new ATOM 0 HB VAL A 155 1.989 6.887 1.637 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.927 5.233 -0.086 1.00 0.39 H new ATOM 0 HG12 VAL A 155 2.494 6.801 -0.809 1.00 0.39 H new ATOM 0 HG13 VAL A 155 4.198 6.420 -0.465 1.00 0.39 H new ATOM 0 HG21 VAL A 155 3.514 4.990 2.191 1.00 0.74 H new ATOM 0 HG22 VAL A 155 4.897 6.097 2.033 1.00 0.74 H new ATOM 0 HG23 VAL A 155 3.674 6.376 3.294 1.00 0.74 H new ATOM 2427 N GLU A 156 1.830 10.330 0.773 1.00 0.28 N ATOM 2428 CA GLU A 156 0.663 11.209 0.980 1.00 0.36 C ATOM 2429 C GLU A 156 -0.437 11.008 -0.066 1.00 0.34 C ATOM 2430 O GLU A 156 -0.193 11.089 -1.278 1.00 0.38 O ATOM 2431 CB GLU A 156 1.103 12.686 0.976 1.00 0.53 C ATOM 2432 CG GLU A 156 1.756 13.168 2.278 1.00 0.73 C ATOM 2433 CD GLU A 156 2.324 14.571 2.155 1.00 1.26 C ATOM 2434 OE1 GLU A 156 1.581 15.538 2.428 1.00 1.67 O ATOM 2435 OE2 GLU A 156 3.510 14.702 1.787 1.00 1.66 O ATOM 0 H GLU A 156 2.417 10.591 -0.019 1.00 0.28 H new ATOM 0 HA GLU A 156 0.243 10.938 1.949 1.00 0.36 H new ATOM 0 HB2 GLU A 156 1.805 12.839 0.156 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.232 13.309 0.771 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.019 13.146 3.081 1.00 0.73 H new ATOM 0 HG3 GLU A 156 2.553 12.479 2.558 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.665 10.747 0.434 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.841 10.556 -0.434 1.00 0.40 C ATOM 2444 C PHE A 157 -3.775 11.772 -0.339 1.00 0.41 C ATOM 2445 O PHE A 157 -4.277 12.117 0.753 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.674 9.296 -0.087 1.00 0.51 C ATOM 2447 CG PHE A 157 -2.953 7.958 0.111 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -1.593 7.877 -0.185 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -3.587 6.809 0.586 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -0.891 6.699 -0.017 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -2.883 5.627 0.756 1.00 1.60 C ATOM 2452 CZ PHE A 157 -1.738 5.467 0.491 1.00 1.80 C ATOM 0 H PHE A 157 -1.864 10.665 1.431 1.00 0.35 H new ATOM 0 HA PHE A 157 -2.441 10.432 -1.440 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.228 9.510 0.827 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -4.409 9.159 -0.880 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.078 8.752 -0.553 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -4.640 6.841 0.824 1.00 1.03 H new ATOM 0 HE1 PHE A 157 0.167 6.626 -0.220 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -3.421 4.783 1.163 1.00 1.60 H new ATOM 0 HZ PHE A 157 -1.282 4.494 0.596 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.996 12.401 -1.508 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.873 13.606 -1.637 1.00 0.46 C ATOM 2464 C VAL A 158 -6.227 13.200 -2.309 1.00 0.48 C ATOM 2465 O VAL A 158 -6.270 12.366 -3.229 1.00 0.47 O ATOM 2466 CB VAL A 158 -4.226 14.863 -2.423 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -4.644 16.216 -1.789 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.676 14.863 -2.511 1.00 0.58 C ATOM 0 H VAL A 158 -3.581 12.101 -2.390 1.00 0.43 H new ATOM 0 HA VAL A 158 -5.022 13.960 -0.617 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.622 14.749 -3.432 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -4.189 17.035 -2.346 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.729 16.314 -1.822 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -4.308 16.251 -0.753 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -2.343 15.746 -3.056 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -2.255 14.877 -1.506 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -2.341 13.966 -3.033 1.00 0.58 H new ATOM 2478 N LYS A 159 -7.316 13.849 -1.841 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.704 13.576 -2.294 1.00 0.56 C ATOM 2480 C LYS A 159 -9.158 14.338 -3.568 1.00 0.66 C ATOM 2481 O LYS A 159 -8.711 15.455 -3.855 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.706 13.904 -1.152 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.721 15.396 -0.710 1.00 1.06 C ATOM 2484 CD LYS A 159 -11.095 15.846 -0.162 1.00 1.48 C ATOM 2485 CE LYS A 159 -11.046 17.264 0.435 1.00 1.63 C ATOM 2486 NZ LYS A 159 -10.587 18.267 -0.566 1.00 2.18 N ATOM 0 H LYS A 159 -7.260 14.582 -1.134 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.701 12.518 -2.556 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.709 13.625 -1.475 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -9.466 13.285 -0.287 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -8.961 15.551 0.056 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -9.450 16.024 -1.559 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -11.832 15.817 -0.965 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -11.428 15.143 0.602 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -12.036 17.540 0.799 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -10.376 17.274 1.294 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -10.663 19.222 -0.161 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -9.597 18.076 -0.819 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -11.180 18.204 -1.418 1.00 2.18 H new ATOM 2500 N GLY A 160 -10.073 13.683 -4.305 1.00 0.74 N ATOM 2501 CA GLY A 160 -10.680 14.255 -5.519 1.00 0.93 C ATOM 2502 C GLY A 160 -12.110 14.799 -5.283 1.00 0.96 C ATOM 2503 O GLY A 160 -12.518 15.772 -5.922 1.00 1.02 O ATOM 0 H GLY A 160 -10.410 12.748 -4.077 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -10.047 15.062 -5.889 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -10.711 13.492 -6.297 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.860 14.149 -4.358 1.00 0.96 N ATOM 2508 CA TYR A 161 -14.223 14.558 -3.985 1.00 1.02 C ATOM 2509 C TYR A 161 -14.365 14.632 -2.444 1.00 1.05 C ATOM 2510 O TYR A 161 -14.220 15.713 -1.867 1.00 1.11 O ATOM 2511 CB TYR A 161 -15.269 13.598 -4.591 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.693 13.947 -6.025 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -16.714 14.871 -6.282 1.00 1.81 C ATOM 2514 CD2 TYR A 161 -15.068 13.348 -7.124 1.00 1.63 C ATOM 2515 CE1 TYR A 161 -17.089 15.178 -7.581 1.00 2.26 C ATOM 2516 CE2 TYR A 161 -15.444 13.658 -8.420 1.00 2.07 C ATOM 2517 CZ TYR A 161 -16.474 14.595 -8.628 1.00 2.29 C ATOM 2518 OH TYR A 161 -16.824 14.879 -9.929 1.00 2.86 O ATOM 0 H TYR A 161 -12.529 13.326 -3.853 1.00 0.96 H new ATOM 0 HA TYR A 161 -14.407 15.552 -4.392 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -14.865 12.586 -4.581 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -16.153 13.595 -3.954 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -17.217 15.352 -5.456 1.00 1.81 H new ATOM 0 HD2 TYR A 161 -14.278 12.631 -6.958 1.00 1.63 H new ATOM 0 HE1 TYR A 161 -17.881 15.891 -7.755 1.00 2.26 H new ATOM 0 HE2 TYR A 161 -14.954 13.188 -9.260 1.00 2.07 H new ATOM 0 HH TYR A 161 -16.263 14.357 -10.540 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.642 13.476 -1.785 1.00 1.09 N ATOM 2529 CA TYR A 162 -14.787 13.398 -0.309 1.00 1.17 C ATOM 2530 C TYR A 162 -14.876 11.922 0.162 1.00 1.10 C ATOM 2531 O TYR A 162 -15.916 11.488 0.670 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.041 14.187 0.159 1.00 1.54 C ATOM 2533 CG TYR A 162 -15.978 14.698 1.609 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -15.306 15.885 1.922 1.00 2.57 C ATOM 2535 CD2 TYR A 162 -16.588 14.000 2.659 1.00 2.00 C ATOM 2536 CE1 TYR A 162 -15.247 16.352 3.227 1.00 3.18 C ATOM 2537 CE2 TYR A 162 -16.527 14.470 3.962 1.00 2.64 C ATOM 2538 CZ TYR A 162 -15.858 15.642 4.236 1.00 3.16 C ATOM 2539 OH TYR A 162 -15.801 16.107 5.530 1.00 3.91 O ATOM 0 H TYR A 162 -14.770 12.581 -2.257 1.00 1.09 H new ATOM 0 HA TYR A 162 -13.902 13.849 0.140 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.186 15.039 -0.506 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.917 13.547 0.052 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -14.825 16.447 1.135 1.00 2.57 H new ATOM 0 HD2 TYR A 162 -17.115 13.080 2.450 1.00 2.00 H new ATOM 0 HE1 TYR A 162 -14.723 17.270 3.451 1.00 3.18 H new ATOM 0 HE2 TYR A 162 -17.003 13.919 4.760 1.00 2.64 H new ATOM 0 HH TYR A 162 -16.283 15.491 6.121 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.769 11.157 -0.007 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.710 9.719 0.384 1.00 0.99 C ATOM 2551 C ASP A 163 -12.277 9.158 0.405 1.00 1.06 C ATOM 2552 O ASP A 163 -11.930 8.448 1.353 1.00 1.74 O ATOM 2553 CB ASP A 163 -14.576 8.848 -0.562 1.00 1.11 C ATOM 2554 CG ASP A 163 -15.776 8.202 0.130 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -15.601 7.129 0.740 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -16.887 8.770 0.058 1.00 1.34 O ATOM 0 H ASP A 163 -12.902 11.509 -0.412 1.00 1.04 H new ATOM 0 HA ASP A 163 -14.104 9.674 1.399 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -14.932 9.465 -1.387 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.952 8.066 -0.995 1.00 1.11 H new ATOM 2561 N ASN A 164 -11.452 9.451 -0.660 1.00 0.83 N ATOM 2562 CA ASN A 164 -10.036 8.941 -0.814 1.00 0.83 C ATOM 2563 C ASN A 164 -10.028 7.483 -1.422 1.00 1.01 C ATOM 2564 O ASN A 164 -11.109 6.979 -1.764 1.00 1.68 O ATOM 2565 CB ASN A 164 -9.273 9.049 0.539 1.00 1.02 C ATOM 2566 CG ASN A 164 -8.137 10.075 0.516 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.445 10.236 -0.491 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.951 10.787 1.626 1.00 0.82 N ATOM 0 H ASN A 164 -11.748 10.046 -1.434 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.500 9.569 -1.526 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.979 9.317 1.325 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.865 8.072 0.797 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -7.216 11.493 1.662 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -8.544 10.626 2.440 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.849 6.756 -1.620 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.832 5.341 -2.187 1.00 1.06 C ATOM 2577 C PRO A 165 -9.594 4.263 -1.357 1.00 0.93 C ATOM 2578 O PRO A 165 -9.966 3.212 -1.886 1.00 1.76 O ATOM 2579 CB PRO A 165 -7.338 4.998 -2.219 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.664 6.332 -2.346 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.457 7.245 -1.432 1.00 1.41 C ATOM 0 HA PRO A 165 -9.348 5.327 -3.147 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -7.028 4.478 -1.312 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -7.096 4.346 -3.059 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.618 6.279 -2.044 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.681 6.689 -3.376 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -7.134 7.161 -0.394 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.353 8.293 -1.715 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.794 4.565 -0.045 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.553 3.744 0.948 1.00 0.47 C ATOM 2591 C LYS A 166 -9.741 2.593 1.611 1.00 0.42 C ATOM 2592 O LYS A 166 -9.455 2.675 2.808 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.906 3.224 0.368 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.930 2.660 1.402 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.379 3.670 2.501 1.00 1.83 C ATOM 2596 CE LYS A 166 -13.926 4.993 1.942 1.00 2.33 C ATOM 2597 NZ LYS A 166 -14.634 5.776 2.992 1.00 3.00 N ATOM 0 H LYS A 166 -9.418 5.418 0.369 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.769 4.440 1.759 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -12.382 4.041 -0.175 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -11.688 2.442 -0.360 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -13.813 2.314 0.865 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -12.491 1.789 1.888 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -14.146 3.203 3.119 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -12.532 3.884 3.152 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -13.106 5.585 1.536 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -14.609 4.787 1.118 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -15.202 6.523 2.544 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -15.258 5.145 3.534 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -13.937 6.208 3.632 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.362 1.524 0.847 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.612 0.373 1.448 1.00 0.38 C ATOM 2613 C VAL A 167 -7.090 0.444 1.101 1.00 0.34 C ATOM 2614 O VAL A 167 -6.716 0.570 -0.080 1.00 0.33 O ATOM 2615 CB VAL A 167 -9.214 -1.059 1.015 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -8.764 -2.204 1.930 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.764 -1.141 0.982 1.00 0.58 C ATOM 0 H VAL A 167 -9.554 1.434 -0.151 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.734 0.464 2.527 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.817 -1.165 0.005 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -9.203 -3.140 1.585 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -7.677 -2.283 1.906 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -9.091 -2.004 2.950 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -11.069 -2.143 0.680 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -11.161 -0.925 1.974 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -11.152 -0.413 0.269 1.00 0.58 H new ATOM 2627 N CYS A 168 -6.238 0.236 2.150 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.776 0.308 1.961 1.00 0.35 C ATOM 2629 C CYS A 168 -3.999 -0.869 2.593 1.00 0.36 C ATOM 2630 O CYS A 168 -4.280 -1.298 3.714 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.280 1.614 2.545 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.750 2.220 1.807 1.00 0.87 S ATOM 0 H CYS A 168 -6.537 0.024 3.102 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.590 0.247 0.889 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -5.054 2.371 2.422 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -4.127 1.485 3.617 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.500 3.417 2.248 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.986 -1.363 1.831 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.113 -2.521 2.211 1.00 0.29 C ATOM 2640 C ALA A 169 -0.557 -2.275 2.076 1.00 0.25 C ATOM 2641 O ALA A 169 0.168 -3.053 1.412 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.563 -3.846 1.564 1.00 0.34 C ATOM 0 H ALA A 169 -2.745 -0.967 0.923 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.269 -2.618 3.285 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -1.894 -4.648 1.875 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.580 -4.078 1.880 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.534 -3.749 0.479 1.00 0.34 H new ATOM 2648 N LEU A 170 -0.066 -1.089 2.560 1.00 0.22 N ATOM 2649 CA LEU A 170 1.395 -0.656 2.557 1.00 0.21 C ATOM 2650 C LEU A 170 2.440 -1.746 2.965 1.00 0.19 C ATOM 2651 O LEU A 170 2.262 -2.455 3.959 1.00 0.34 O ATOM 2652 CB LEU A 170 1.567 0.512 3.557 1.00 0.31 C ATOM 2653 CG LEU A 170 1.904 1.945 3.018 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.096 1.973 2.049 1.00 0.50 C ATOM 2655 CD2 LEU A 170 0.691 2.605 2.366 1.00 0.70 C ATOM 0 H LEU A 170 -0.678 -0.385 2.974 1.00 0.22 H new ATOM 0 HA LEU A 170 1.600 -0.398 1.518 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.645 0.588 4.133 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.356 0.231 4.255 1.00 0.31 H new ATOM 0 HG LEU A 170 2.192 2.518 3.900 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.271 2.996 1.717 1.00 0.50 H new ATOM 0 HD12 LEU A 170 3.986 1.599 2.556 1.00 0.50 H new ATOM 0 HD13 LEU A 170 2.878 1.344 1.186 1.00 0.50 H new ATOM 0 HD21 LEU A 170 0.966 3.596 2.006 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.352 1.996 1.528 1.00 0.70 H new ATOM 0 HD23 LEU A 170 -0.112 2.695 3.098 1.00 0.70 H new ATOM 2667 N PHE A 171 3.510 -1.865 2.165 1.00 0.16 N ATOM 2668 CA PHE A 171 4.570 -2.858 2.408 1.00 0.14 C ATOM 2669 C PHE A 171 5.932 -2.381 1.837 1.00 0.14 C ATOM 2670 O PHE A 171 6.151 -2.455 0.623 1.00 0.19 O ATOM 2671 CB PHE A 171 4.121 -4.212 1.762 1.00 0.17 C ATOM 2672 CG PHE A 171 5.173 -5.326 1.653 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.111 -5.525 2.672 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.224 -6.173 0.546 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.056 -6.532 2.582 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.165 -7.172 0.460 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.087 -7.343 1.436 1.00 0.17 C ATOM 0 H PHE A 171 3.665 -1.284 1.341 1.00 0.16 H new ATOM 0 HA PHE A 171 4.716 -2.991 3.480 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.280 -4.598 2.338 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.750 -4.000 0.759 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.097 -4.884 3.541 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.513 -6.042 -0.256 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.761 -6.692 3.384 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.168 -7.829 -0.397 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.847 -8.104 1.333 1.00 0.17 H new ATOM 2687 N ILE A 172 6.857 -1.897 2.708 1.00 0.10 N ATOM 2688 CA ILE A 172 8.207 -1.513 2.228 1.00 0.10 C ATOM 2689 C ILE A 172 9.307 -2.514 2.745 1.00 0.08 C ATOM 2690 O ILE A 172 9.511 -2.718 3.982 1.00 0.08 O ATOM 2691 CB ILE A 172 8.640 0.030 2.388 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.946 0.298 1.536 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.827 0.497 3.867 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.088 1.687 0.910 1.00 0.31 C ATOM 0 H ILE A 172 6.701 -1.768 3.708 1.00 0.10 H new ATOM 0 HA ILE A 172 8.124 -1.604 1.145 1.00 0.10 H new ATOM 0 HB ILE A 172 7.812 0.630 2.010 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.811 0.124 2.176 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.987 -0.441 0.736 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.118 1.547 3.883 1.00 0.22 H new ATOM 0 HG22 ILE A 172 7.890 0.372 4.409 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.604 -0.102 4.342 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.024 1.741 0.354 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.253 1.868 0.234 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.089 2.442 1.696 1.00 0.31 H new ATOM 2706 N MET A 173 10.018 -3.075 1.762 1.00 0.09 N ATOM 2707 CA MET A 173 11.083 -4.059 2.004 1.00 0.11 C ATOM 2708 C MET A 173 12.437 -3.614 1.390 1.00 0.13 C ATOM 2709 O MET A 173 12.481 -2.888 0.390 1.00 0.21 O ATOM 2710 CB MET A 173 10.642 -5.455 1.503 1.00 0.15 C ATOM 2711 CG MET A 173 10.033 -5.477 0.081 1.00 0.17 C ATOM 2712 SD MET A 173 11.271 -5.525 -1.237 1.00 0.44 S ATOM 2713 CE MET A 173 12.118 -7.068 -0.890 1.00 0.26 C ATOM 0 H MET A 173 9.873 -2.861 0.775 1.00 0.09 H new ATOM 0 HA MET A 173 11.250 -4.125 3.079 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.505 -6.121 1.523 1.00 0.15 H new ATOM 0 HB3 MET A 173 9.910 -5.861 2.202 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.381 -6.346 -0.013 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.408 -4.594 -0.051 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.553 -7.459 -1.810 1.00 0.26 H new ATOM 0 HE2 MET A 173 12.908 -6.893 -0.160 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.407 -7.791 -0.489 1.00 0.26 H new ATOM 2723 N LYS A 174 13.541 -4.089 1.995 1.00 0.12 N ATOM 2724 CA LYS A 174 14.887 -3.696 1.626 1.00 0.19 C ATOM 2725 C LYS A 174 15.751 -4.701 0.798 1.00 0.16 C ATOM 2726 O LYS A 174 15.608 -5.925 0.839 1.00 0.17 O ATOM 2727 CB LYS A 174 15.560 -3.412 2.983 1.00 0.38 C ATOM 2728 CG LYS A 174 17.031 -3.007 2.940 1.00 0.54 C ATOM 2729 CD LYS A 174 17.643 -2.905 4.350 1.00 0.57 C ATOM 2730 CE LYS A 174 18.953 -2.141 4.322 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.511 -1.933 5.685 1.00 1.26 N ATOM 0 H LYS A 174 13.509 -4.763 2.760 1.00 0.12 H new ATOM 0 HA LYS A 174 14.817 -2.859 0.932 1.00 0.19 H new ATOM 0 HB2 LYS A 174 15.002 -2.620 3.482 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.469 -4.304 3.603 1.00 0.38 H new ATOM 0 HG2 LYS A 174 17.591 -3.736 2.354 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.128 -2.047 2.432 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.942 -2.406 5.019 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.810 -3.905 4.751 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.676 -2.685 3.714 1.00 0.49 H new ATOM 0 HE3 LYS A 174 18.798 -1.174 3.843 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.467 -1.529 5.611 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 18.899 -1.280 6.215 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.558 -2.844 6.184 1.00 1.26 H new ATOM 2745 N GLY A 175 16.651 -4.049 0.053 1.00 0.14 N ATOM 2746 CA GLY A 175 17.736 -4.637 -0.746 1.00 0.15 C ATOM 2747 C GLY A 175 17.607 -4.709 -2.280 1.00 0.13 C ATOM 2748 O GLY A 175 18.586 -4.341 -2.931 1.00 0.17 O ATOM 0 H GLY A 175 16.642 -3.031 -0.013 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.644 -4.077 -0.522 1.00 0.15 H new ATOM 0 HA3 GLY A 175 17.891 -5.654 -0.385 1.00 0.15 H new ATOM 2752 N THR A 176 16.427 -5.058 -2.875 1.00 0.11 N ATOM 2753 CA THR A 176 16.250 -5.120 -4.382 1.00 0.10 C ATOM 2754 C THR A 176 14.828 -5.589 -4.787 1.00 0.10 C ATOM 2755 O THR A 176 14.083 -6.158 -3.980 1.00 0.13 O ATOM 2756 CB THR A 176 17.255 -6.060 -5.180 1.00 0.12 C ATOM 2757 OG1 THR A 176 17.859 -7.074 -4.351 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.359 -5.280 -5.936 1.00 0.15 C ATOM 0 H THR A 176 15.586 -5.300 -2.351 1.00 0.11 H new ATOM 0 HA THR A 176 16.454 -4.086 -4.660 1.00 0.10 H new ATOM 0 HB THR A 176 16.626 -6.553 -5.921 1.00 0.12 H new ATOM 0 HG1 THR A 176 17.312 -7.887 -4.378 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.008 -5.983 -6.458 1.00 0.15 H new ATOM 0 HG22 THR A 176 17.899 -4.606 -6.658 1.00 0.15 H new ATOM 0 HG23 THR A 176 18.948 -4.702 -5.224 1.00 0.15 H new ATOM 2766 N ALA A 177 14.474 -5.360 -6.092 1.00 0.10 N ATOM 2767 CA ALA A 177 13.171 -5.787 -6.702 1.00 0.11 C ATOM 2768 C ALA A 177 13.136 -7.305 -7.141 1.00 0.15 C ATOM 2769 O ALA A 177 12.056 -7.874 -7.360 1.00 0.17 O ATOM 2770 CB ALA A 177 12.840 -4.860 -7.894 1.00 0.15 C ATOM 0 H ALA A 177 15.084 -4.874 -6.749 1.00 0.10 H new ATOM 0 HA ALA A 177 12.409 -5.695 -5.928 1.00 0.11 H new ATOM 0 HB1 ALA A 177 11.894 -5.166 -8.341 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.760 -3.831 -7.543 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.632 -4.929 -8.639 1.00 0.15 H new ATOM 2776 N ASP A 178 14.331 -7.956 -7.245 1.00 0.19 N ATOM 2777 CA ASP A 178 14.464 -9.402 -7.606 1.00 0.24 C ATOM 2778 C ASP A 178 14.413 -10.380 -6.375 1.00 0.26 C ATOM 2779 O ASP A 178 14.569 -11.594 -6.543 1.00 0.31 O ATOM 2780 CB ASP A 178 15.779 -9.624 -8.371 1.00 0.31 C ATOM 2781 CG ASP A 178 15.610 -9.583 -9.887 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.724 -8.483 -10.468 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.362 -10.651 -10.486 1.00 0.55 O ATOM 0 H ASP A 178 15.227 -7.496 -7.082 1.00 0.19 H new ATOM 0 HA ASP A 178 13.599 -9.638 -8.226 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.498 -8.862 -8.072 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.199 -10.588 -8.085 1.00 0.31 H new ATOM 2788 N ASP A 179 14.185 -9.836 -5.153 1.00 0.24 N ATOM 2789 CA ASP A 179 14.120 -10.630 -3.893 1.00 0.31 C ATOM 2790 C ASP A 179 12.679 -10.794 -3.313 1.00 0.32 C ATOM 2791 O ASP A 179 12.502 -11.466 -2.295 1.00 0.44 O ATOM 2792 CB ASP A 179 15.010 -9.977 -2.827 1.00 0.37 C ATOM 2793 CG ASP A 179 16.444 -10.502 -2.828 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.287 -9.925 -3.547 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.715 -11.490 -2.112 1.00 0.60 O ATOM 0 H ASP A 179 14.041 -8.836 -5.010 1.00 0.24 H new ATOM 0 HA ASP A 179 14.470 -11.629 -4.152 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.026 -8.899 -2.988 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.570 -10.146 -1.844 1.00 0.37 H new ATOM 2800 N VAL A 180 11.667 -10.160 -3.960 1.00 0.24 N ATOM 2801 CA VAL A 180 10.215 -10.231 -3.549 1.00 0.29 C ATOM 2802 C VAL A 180 9.484 -11.472 -4.202 1.00 0.50 C ATOM 2803 O VAL A 180 9.049 -11.380 -5.356 1.00 0.95 O ATOM 2804 CB VAL A 180 9.324 -8.926 -3.891 1.00 0.27 C ATOM 2805 CG1 VAL A 180 8.626 -8.374 -2.632 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.067 -7.749 -4.581 1.00 0.50 C ATOM 0 H VAL A 180 11.821 -9.580 -4.785 1.00 0.24 H new ATOM 0 HA VAL A 180 10.278 -10.315 -2.464 1.00 0.29 H new ATOM 0 HB VAL A 180 8.607 -9.310 -4.617 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.036 -7.497 -2.898 1.00 0.48 H new ATOM 0 HG12 VAL A 180 7.972 -9.139 -2.214 1.00 0.48 H new ATOM 0 HG13 VAL A 180 9.377 -8.095 -1.893 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.368 -6.932 -4.760 1.00 0.50 H new ATOM 0 HG22 VAL A 180 10.874 -7.401 -3.937 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.481 -8.087 -5.531 1.00 0.50 H new