USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 957 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 57 ASN : amide:sc= -0.235 K(o=0.22,f=-8.6!) USER MOD Set 1.2: A 60 ASN : amide:sc= 0.804 K(o=0.22,f=-1.5) USER MOD Set 1.3: A 62 SER OG : rot -101:sc= 1.14 USER MOD Set 1.4: A 64 ASN : amide:sc= -1.49 X(o=0.22,f=-0.0021!) USER MOD Set 2.1: A 55 SER OG : rot -131:sc= 0.409 USER MOD Set 2.2: A 66 TYR OH : rot 130:sc= 0.239 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0.113 (180deg=0.0972) USER MOD Single : A 37 HIS : no HE2:sc= 1.04 K(o=1,f=-3.4!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0443 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0467) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.0501 USER MOD Single : A 47 SER OG : rot 180:sc= -0.821 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= 1.21 (180deg=1.01) USER MOD Single : A 67 SER OG : rot 180:sc= -2.48! USER MOD Single : A 68 LYS NZ :NH3+ 149:sc= 0.0174 (180deg=-1.13) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.13) USER MOD Single : A 76 TYR OH : rot 26:sc= 1.25 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0134 K(o=-0.013,f=-0.91) USER MOD Single : A 82 LYS NZ :NH3+ -107:sc= -0.423 (180deg=-2.5!) USER MOD Single : A 84 MET CE :methyl 166:sc= 0 (180deg=-0.578) USER MOD Single : A 86 ASN : amide:sc= -0.131 K(o=-0.13,f=-3.8!) USER MOD Single : A 88 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.5!) USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= -0.0645 (180deg=-0.532) USER MOD Single : A 97 MET CE :methyl 179:sc= -0.478 (180deg=-0.506) USER MOD Single : A 100 GLN : amide:sc= -6.48! C(o=-6.5!,f=-8.7!) USER MOD Single : A 101 LYS NZ :NH3+ 137:sc= 0.627 (180deg=-0.0413) USER MOD Single : A 106 LYS NZ :NH3+ -111:sc= 1.53 (180deg=-0.0287) USER MOD Single : A 109 SER OG : rot -18:sc= 1.17 USER MOD Single : A 110 MET CE :methyl -176:sc= -7.98! (180deg=-8.42!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 40:sc= 0.112 USER MOD Single : A 130 LYS NZ :NH3+ -172:sc= 0.655 (180deg=0.32!) USER MOD Single : A 135 LYS NZ :NH3+ 179:sc= 0.0154 (180deg=-0.0367) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 555 THR OG1 : rot 180:sc= 0 USER MOD Single : B 556 THR OG1 : rot -89:sc= 0.917 USER MOD Single : B 562 LYS NZ :NH3+ -130:sc= -0.71 (180deg=-2.77!) USER MOD Single : B 563 SER OG : rot 180:sc= 0.0144 USER MOD Single : B 566 SER OG : rot 180:sc= 0 USER MOD Single : B 567 TYR OH : rot 180:sc= 0 USER MOD Single : B 569 ASN :FLIP amide:sc= -1.23 F(o=-3.9,f=-1.2) USER MOD Single : B 570 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.431 5.276 10.432 1.00 0.62 N ATOM 77 CA LYS A 34 -2.199 3.883 10.707 1.00 0.54 C ATOM 78 C LYS A 34 -0.936 3.398 10.006 1.00 0.43 C ATOM 79 O LYS A 34 -0.848 3.425 8.781 1.00 0.53 O ATOM 80 CB LYS A 34 -3.402 3.076 10.241 1.00 0.66 C ATOM 81 CG LYS A 34 -4.443 2.848 11.321 1.00 0.83 C ATOM 82 CD LYS A 34 -5.466 3.964 11.370 1.00 0.84 C ATOM 83 CE LYS A 34 -6.436 3.766 12.519 1.00 0.90 C ATOM 84 NZ LYS A 34 -7.417 4.880 12.627 1.00 1.23 N ATOM 0 HA LYS A 34 -2.061 3.749 11.780 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.870 3.591 9.402 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -3.058 2.110 9.871 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -4.950 1.900 11.141 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.949 2.767 12.289 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.958 4.922 11.480 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -6.015 4.000 10.429 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.970 2.826 12.383 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.879 3.684 13.452 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -7.946 4.791 13.518 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -6.913 5.789 12.613 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -8.079 4.839 11.826 1.00 1.23 H new ATOM 98 N GLU A 35 0.036 2.963 10.794 1.00 0.43 N ATOM 99 CA GLU A 35 1.309 2.499 10.257 1.00 0.48 C ATOM 100 C GLU A 35 1.181 1.102 9.658 1.00 0.40 C ATOM 101 O GLU A 35 1.197 0.101 10.383 1.00 0.55 O ATOM 102 CB GLU A 35 2.366 2.480 11.361 1.00 0.75 C ATOM 103 CG GLU A 35 2.648 3.841 11.965 1.00 1.06 C ATOM 104 CD GLU A 35 3.427 3.740 13.256 1.00 1.35 C ATOM 105 OE1 GLU A 35 4.669 3.637 13.208 1.00 1.83 O ATOM 106 OE2 GLU A 35 2.791 3.762 14.331 1.00 1.86 O ATOM 0 H GLU A 35 -0.032 2.921 11.811 1.00 0.43 H new ATOM 0 HA GLU A 35 1.609 3.188 9.468 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.040 1.803 12.151 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.293 2.074 10.956 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.208 4.445 11.251 1.00 1.06 H new ATOM 0 HG3 GLU A 35 1.706 4.357 12.150 1.00 1.06 H new ATOM 113 N TRP A 36 1.045 1.033 8.343 1.00 0.28 N ATOM 114 CA TRP A 36 1.042 -0.249 7.652 1.00 0.25 C ATOM 115 C TRP A 36 2.469 -0.616 7.240 1.00 0.26 C ATOM 116 O TRP A 36 3.210 0.228 6.742 1.00 0.40 O ATOM 117 CB TRP A 36 0.165 -0.214 6.392 1.00 0.26 C ATOM 118 CG TRP A 36 -1.216 0.362 6.563 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.791 1.321 5.777 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.198 0.021 7.552 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.068 1.585 6.208 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.340 0.805 7.293 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.231 -0.870 8.625 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.493 0.727 8.063 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.378 -0.947 9.392 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.497 -0.154 9.105 1.00 1.19 C ATOM 0 H TRP A 36 0.936 1.844 7.735 1.00 0.28 H new ATOM 0 HA TRP A 36 0.635 -0.990 8.340 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.685 0.363 5.628 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.068 -1.231 6.013 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.310 1.802 4.938 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.709 2.256 5.785 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.375 -1.489 8.852 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.355 1.341 7.845 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.413 -1.631 10.227 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.380 -0.242 9.721 1.00 1.19 H new ATOM 137 N HIS A 37 2.859 -1.867 7.452 1.00 0.25 N ATOM 138 CA HIS A 37 4.171 -2.342 7.002 1.00 0.25 C ATOM 139 C HIS A 37 4.034 -3.035 5.657 1.00 0.24 C ATOM 140 O HIS A 37 3.367 -4.056 5.559 1.00 0.30 O ATOM 141 CB HIS A 37 4.782 -3.325 8.007 1.00 0.29 C ATOM 142 CG HIS A 37 5.187 -2.709 9.308 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.394 -2.068 9.511 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.528 -2.647 10.486 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.453 -1.640 10.758 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.334 -1.979 11.368 1.00 0.56 N ATOM 0 H HIS A 37 2.294 -2.570 7.929 1.00 0.25 H new ATOM 0 HA HIS A 37 4.827 -1.476 6.916 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.061 -4.119 8.204 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.656 -3.793 7.553 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.123 -1.945 8.809 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.548 -3.050 10.693 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.278 -1.103 11.203 1.00 0.51 H new ATOM 155 N ILE A 38 4.653 -2.492 4.622 1.00 0.20 N ATOM 156 CA ILE A 38 4.519 -3.072 3.294 1.00 0.20 C ATOM 157 C ILE A 38 5.279 -4.390 3.189 1.00 0.21 C ATOM 158 O ILE A 38 6.484 -4.455 3.424 1.00 0.27 O ATOM 159 CB ILE A 38 4.988 -2.115 2.187 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.256 -0.789 2.295 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.717 -2.728 0.833 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.791 0.280 1.370 1.00 0.20 C ATOM 0 H ILE A 38 5.245 -1.663 4.672 1.00 0.20 H new ATOM 0 HA ILE A 38 3.455 -3.259 3.148 1.00 0.20 H new ATOM 0 HB ILE A 38 6.058 -1.943 2.303 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.200 -0.949 2.078 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.320 -0.432 3.323 1.00 0.21 H new ATOM 0 HG21 ILE A 38 5.051 -2.046 0.051 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.256 -3.671 0.746 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.648 -2.910 0.723 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.218 1.197 1.504 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.839 0.470 1.601 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.702 -0.055 0.337 1.00 0.20 H new ATOM 174 N VAL A 39 4.544 -5.433 2.846 1.00 0.19 N ATOM 175 CA VAL A 39 5.083 -6.778 2.744 1.00 0.18 C ATOM 176 C VAL A 39 5.162 -7.216 1.291 1.00 0.16 C ATOM 177 O VAL A 39 4.225 -7.006 0.538 1.00 0.18 O ATOM 178 CB VAL A 39 4.183 -7.772 3.499 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.661 -9.202 3.325 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.092 -7.405 4.959 1.00 0.26 C ATOM 0 H VAL A 39 3.549 -5.370 2.629 1.00 0.19 H new ATOM 0 HA VAL A 39 6.082 -6.769 3.181 1.00 0.18 H new ATOM 0 HB VAL A 39 3.184 -7.709 3.067 1.00 0.20 H new ATOM 0 HG11 VAL A 39 4.001 -9.875 3.872 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.650 -9.463 2.267 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.676 -9.296 3.711 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.451 -8.120 5.475 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.088 -7.425 5.402 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.671 -6.404 5.057 1.00 0.26 H new ATOM 190 N PRO A 40 6.270 -7.820 0.871 1.00 0.14 N ATOM 191 CA PRO A 40 6.397 -8.373 -0.462 1.00 0.14 C ATOM 192 C PRO A 40 5.905 -9.820 -0.531 1.00 0.16 C ATOM 193 O PRO A 40 6.398 -10.691 0.190 1.00 0.28 O ATOM 194 CB PRO A 40 7.899 -8.296 -0.737 1.00 0.17 C ATOM 195 CG PRO A 40 8.566 -7.975 0.574 1.00 0.15 C ATOM 196 CD PRO A 40 7.501 -8.001 1.639 1.00 0.14 C ATOM 0 HA PRO A 40 5.795 -7.833 -1.193 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.268 -9.241 -1.137 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.117 -7.529 -1.480 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.348 -8.702 0.795 1.00 0.15 H new ATOM 0 HG3 PRO A 40 9.043 -6.996 0.532 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.501 -8.943 2.188 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.642 -7.206 2.371 1.00 0.14 H new ATOM 204 N VAL A 41 4.918 -10.062 -1.380 1.00 0.14 N ATOM 205 CA VAL A 41 4.384 -11.405 -1.572 1.00 0.16 C ATOM 206 C VAL A 41 5.055 -12.070 -2.769 1.00 0.18 C ATOM 207 O VAL A 41 5.524 -13.206 -2.689 1.00 0.23 O ATOM 208 CB VAL A 41 2.859 -11.396 -1.819 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.332 -12.817 -1.921 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.118 -10.627 -0.736 1.00 0.20 C ATOM 0 H VAL A 41 4.468 -9.345 -1.949 1.00 0.14 H new ATOM 0 HA VAL A 41 4.588 -11.958 -0.655 1.00 0.16 H new ATOM 0 HB VAL A 41 2.679 -10.884 -2.764 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.256 -12.794 -2.095 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.823 -13.329 -2.749 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.538 -13.349 -0.992 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.048 -10.643 -0.945 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.306 -11.091 0.232 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.468 -9.595 -0.718 1.00 0.20 H new ATOM 220 N SER A 42 5.097 -11.344 -3.875 1.00 0.19 N ATOM 221 CA SER A 42 5.631 -11.867 -5.121 1.00 0.25 C ATOM 222 C SER A 42 7.140 -12.034 -5.046 1.00 0.24 C ATOM 223 O SER A 42 7.830 -11.356 -4.282 1.00 0.35 O ATOM 224 CB SER A 42 5.259 -10.943 -6.283 1.00 0.34 C ATOM 225 OG SER A 42 5.823 -11.388 -7.505 1.00 1.08 O ATOM 0 H SER A 42 4.764 -10.382 -3.934 1.00 0.19 H new ATOM 0 HA SER A 42 5.191 -12.850 -5.291 1.00 0.25 H new ATOM 0 HB2 SER A 42 4.174 -10.896 -6.378 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.604 -9.932 -6.069 1.00 0.34 H new ATOM 0 HG SER A 42 5.565 -10.777 -8.226 1.00 1.08 H new ATOM 231 N LYS A 43 7.634 -12.931 -5.886 1.00 0.28 N ATOM 232 CA LYS A 43 9.027 -13.332 -5.891 1.00 0.31 C ATOM 233 C LYS A 43 9.897 -12.211 -6.430 1.00 0.26 C ATOM 234 O LYS A 43 11.084 -12.125 -6.125 1.00 0.32 O ATOM 235 CB LYS A 43 9.191 -14.586 -6.752 1.00 0.42 C ATOM 236 CG LYS A 43 7.963 -15.481 -6.747 1.00 1.02 C ATOM 237 CD LYS A 43 7.237 -15.442 -8.085 1.00 1.41 C ATOM 238 CE LYS A 43 5.951 -16.257 -8.056 1.00 2.09 C ATOM 239 NZ LYS A 43 4.895 -15.625 -7.217 1.00 2.95 N ATOM 0 H LYS A 43 7.069 -13.405 -6.591 1.00 0.28 H new ATOM 0 HA LYS A 43 9.340 -13.550 -4.870 1.00 0.31 H new ATOM 0 HB2 LYS A 43 9.412 -14.289 -7.777 1.00 0.42 H new ATOM 0 HB3 LYS A 43 10.049 -15.155 -6.394 1.00 0.42 H new ATOM 0 HG2 LYS A 43 8.259 -16.506 -6.523 1.00 1.02 H new ATOM 0 HG3 LYS A 43 7.285 -15.165 -5.955 1.00 1.02 H new ATOM 0 HD2 LYS A 43 7.006 -14.408 -8.343 1.00 1.41 H new ATOM 0 HD3 LYS A 43 7.893 -15.827 -8.866 1.00 1.41 H new ATOM 0 HE2 LYS A 43 5.578 -16.378 -9.073 1.00 2.09 H new ATOM 0 HE3 LYS A 43 6.165 -17.255 -7.674 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 4.005 -16.152 -7.324 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 5.189 -15.640 -6.220 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 4.753 -14.641 -7.521 1.00 2.95 H new ATOM 253 N ASP A 44 9.285 -11.346 -7.225 1.00 0.23 N ATOM 254 CA ASP A 44 9.991 -10.238 -7.836 1.00 0.21 C ATOM 255 C ASP A 44 10.107 -9.068 -6.873 1.00 0.17 C ATOM 256 O ASP A 44 10.913 -8.161 -7.077 1.00 0.18 O ATOM 257 CB ASP A 44 9.262 -9.796 -9.097 1.00 0.25 C ATOM 258 CG ASP A 44 10.164 -9.804 -10.310 1.00 0.39 C ATOM 259 OD1 ASP A 44 11.050 -8.935 -10.402 1.00 0.44 O ATOM 260 OD2 ASP A 44 10.000 -10.698 -11.167 1.00 0.97 O ATOM 0 H ASP A 44 8.294 -11.394 -7.461 1.00 0.23 H new ATOM 0 HA ASP A 44 10.996 -10.572 -8.092 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.412 -10.456 -9.274 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.862 -8.793 -8.951 1.00 0.25 H new ATOM 265 N TYR A 45 9.281 -9.084 -5.832 1.00 0.15 N ATOM 266 CA TYR A 45 9.269 -8.001 -4.855 1.00 0.13 C ATOM 267 C TYR A 45 9.989 -8.410 -3.583 1.00 0.15 C ATOM 268 O TYR A 45 10.026 -7.662 -2.622 1.00 0.15 O ATOM 269 CB TYR A 45 7.837 -7.567 -4.517 1.00 0.12 C ATOM 270 CG TYR A 45 7.059 -7.047 -5.700 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.498 -7.917 -6.628 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.885 -5.686 -5.887 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.782 -7.431 -7.712 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.174 -5.194 -6.961 1.00 0.25 C ATOM 275 CZ TYR A 45 5.624 -6.112 -7.890 1.00 0.27 C ATOM 276 OH TYR A 45 4.917 -5.566 -8.942 1.00 0.35 O ATOM 0 H TYR A 45 8.614 -9.832 -5.643 1.00 0.15 H new ATOM 0 HA TYR A 45 9.791 -7.157 -5.305 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.303 -8.415 -4.088 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.874 -6.793 -3.751 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.621 -8.983 -6.504 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.315 -4.995 -5.177 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.348 -8.122 -8.419 1.00 0.29 H new ATOM 0 HE2 TYR A 45 6.039 -4.130 -7.092 1.00 0.25 H new ATOM 0 HH TYR A 45 4.206 -6.184 -9.214 1.00 0.35 H new ATOM 286 N PHE A 46 10.586 -9.591 -3.575 1.00 0.19 N ATOM 287 CA PHE A 46 11.324 -10.044 -2.401 1.00 0.23 C ATOM 288 C PHE A 46 12.507 -9.126 -2.102 1.00 0.22 C ATOM 289 O PHE A 46 13.118 -9.211 -1.034 1.00 0.26 O ATOM 290 CB PHE A 46 11.783 -11.492 -2.555 1.00 0.28 C ATOM 291 CG PHE A 46 10.702 -12.489 -2.238 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.861 -12.292 -1.151 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.531 -13.621 -3.013 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.870 -13.205 -0.850 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.540 -14.538 -2.716 1.00 0.76 C ATOM 296 CZ PHE A 46 8.708 -14.330 -1.633 1.00 0.57 C ATOM 0 H PHE A 46 10.577 -10.248 -4.356 1.00 0.19 H new ATOM 0 HA PHE A 46 10.642 -10.000 -1.551 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.128 -11.651 -3.577 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.636 -11.669 -1.900 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.983 -11.414 -0.534 1.00 0.68 H new ATOM 0 HD2 PHE A 46 11.179 -13.791 -3.860 1.00 0.68 H new ATOM 0 HE1 PHE A 46 8.222 -13.039 -0.002 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.416 -15.417 -3.331 1.00 0.76 H new ATOM 0 HZ PHE A 46 7.933 -15.045 -1.400 1.00 0.57 H new ATOM 306 N SER A 47 12.817 -8.246 -3.044 1.00 0.19 N ATOM 307 CA SER A 47 13.913 -7.321 -2.906 1.00 0.23 C ATOM 308 C SER A 47 13.508 -6.058 -2.137 1.00 0.17 C ATOM 309 O SER A 47 14.371 -5.293 -1.731 1.00 0.20 O ATOM 310 CB SER A 47 14.402 -6.952 -4.298 1.00 0.31 C ATOM 311 OG SER A 47 13.301 -6.763 -5.175 1.00 1.19 O ATOM 0 H SER A 47 12.309 -8.160 -3.924 1.00 0.19 H new ATOM 0 HA SER A 47 14.706 -7.800 -2.331 1.00 0.23 H new ATOM 0 HB2 SER A 47 14.999 -6.041 -4.251 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.051 -7.739 -4.683 1.00 0.31 H new ATOM 0 HG SER A 47 13.630 -6.525 -6.067 1.00 1.19 H new ATOM 317 N ILE A 48 12.199 -5.854 -1.930 1.00 0.17 N ATOM 318 CA ILE A 48 11.686 -4.630 -1.292 1.00 0.15 C ATOM 319 C ILE A 48 12.445 -4.332 0.016 1.00 0.17 C ATOM 320 O ILE A 48 12.714 -5.233 0.812 1.00 0.20 O ATOM 321 CB ILE A 48 10.156 -4.726 -1.027 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.390 -4.967 -2.339 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.646 -3.463 -0.354 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.485 -3.829 -2.775 1.00 0.21 C ATOM 0 H ILE A 48 11.474 -6.521 -2.195 1.00 0.17 H new ATOM 0 HA ILE A 48 11.854 -3.804 -1.983 1.00 0.15 H new ATOM 0 HB ILE A 48 9.984 -5.571 -0.361 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.112 -5.161 -3.132 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.787 -5.868 -2.229 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.574 -3.552 -0.178 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.160 -3.325 0.597 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.838 -2.605 -0.998 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.990 -4.095 -3.709 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.734 -3.646 -2.006 1.00 0.21 H new ATOM 0 HD13 ILE A 48 9.080 -2.928 -2.923 1.00 0.21 H new ATOM 336 N PRO A 49 12.823 -3.049 0.202 1.00 0.16 N ATOM 337 CA PRO A 49 13.751 -2.584 1.251 1.00 0.19 C ATOM 338 C PRO A 49 13.423 -2.935 2.690 1.00 0.15 C ATOM 339 O PRO A 49 12.383 -3.502 3.011 1.00 0.21 O ATOM 340 CB PRO A 49 13.707 -1.059 1.138 1.00 0.26 C ATOM 341 CG PRO A 49 12.548 -0.759 0.279 1.00 0.17 C ATOM 342 CD PRO A 49 12.401 -1.926 -0.640 1.00 0.16 C ATOM 0 HA PRO A 49 14.707 -3.077 1.072 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.598 -0.596 2.119 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.628 -0.671 0.703 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.647 -0.617 0.876 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.707 0.162 -0.282 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.374 -2.042 -0.987 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.027 -1.826 -1.526 1.00 0.16 H new ATOM 350 N ASN A 50 14.380 -2.520 3.532 1.00 0.17 N ATOM 351 CA ASN A 50 14.415 -2.736 4.977 1.00 0.22 C ATOM 352 C ASN A 50 13.034 -2.765 5.610 1.00 0.22 C ATOM 353 O ASN A 50 12.708 -3.696 6.349 1.00 0.34 O ATOM 354 CB ASN A 50 15.243 -1.612 5.622 1.00 0.35 C ATOM 355 CG ASN A 50 15.463 -1.819 7.110 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.663 -1.380 7.935 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.553 -2.480 7.464 1.00 0.83 N ATOM 0 H ASN A 50 15.191 -1.998 3.201 1.00 0.17 H new ATOM 0 HA ASN A 50 14.864 -3.714 5.151 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.210 -1.547 5.123 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.738 -0.659 5.464 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.754 -2.641 8.451 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.193 -2.829 6.750 1.00 0.83 H new ATOM 364 N ASP A 51 12.235 -1.754 5.291 1.00 0.24 N ATOM 365 CA ASP A 51 10.932 -1.557 5.925 1.00 0.34 C ATOM 366 C ASP A 51 10.298 -0.286 5.399 1.00 0.27 C ATOM 367 O ASP A 51 10.801 0.813 5.625 1.00 0.36 O ATOM 368 CB ASP A 51 11.057 -1.472 7.455 1.00 0.51 C ATOM 369 CG ASP A 51 9.754 -1.086 8.142 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.838 -1.938 8.231 1.00 1.90 O ATOM 371 OD2 ASP A 51 9.647 0.073 8.606 1.00 1.23 O ATOM 0 H ASP A 51 12.468 -1.050 4.590 1.00 0.24 H new ATOM 0 HA ASP A 51 10.306 -2.416 5.683 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.392 -2.435 7.840 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.825 -0.742 7.710 1.00 0.51 H new ATOM 376 N LEU A 52 9.224 -0.445 4.657 1.00 0.22 N ATOM 377 CA LEU A 52 8.478 0.689 4.143 1.00 0.17 C ATOM 378 C LEU A 52 7.176 0.847 4.902 1.00 0.19 C ATOM 379 O LEU A 52 6.426 -0.116 5.079 1.00 0.25 O ATOM 380 CB LEU A 52 8.184 0.511 2.656 1.00 0.18 C ATOM 381 CG LEU A 52 9.414 0.438 1.763 1.00 0.14 C ATOM 382 CD1 LEU A 52 9.017 0.043 0.353 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.154 1.769 1.758 1.00 0.15 C ATOM 0 H LEU A 52 8.844 -1.354 4.393 1.00 0.22 H new ATOM 0 HA LEU A 52 9.085 1.584 4.278 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.602 -0.401 2.522 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.560 1.340 2.322 1.00 0.18 H new ATOM 0 HG LEU A 52 10.086 -0.323 2.161 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.906 -0.005 -0.275 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.532 -0.933 0.371 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.327 0.783 -0.052 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.030 1.696 1.114 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.493 2.551 1.384 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.469 2.014 2.772 1.00 0.15 H new ATOM 395 N LEU A 53 6.912 2.058 5.348 1.00 0.16 N ATOM 396 CA LEU A 53 5.676 2.344 6.048 1.00 0.18 C ATOM 397 C LEU A 53 4.671 2.972 5.106 1.00 0.17 C ATOM 398 O LEU A 53 4.882 4.058 4.564 1.00 0.17 O ATOM 399 CB LEU A 53 5.915 3.257 7.251 1.00 0.21 C ATOM 400 CG LEU A 53 6.665 2.611 8.411 1.00 0.26 C ATOM 401 CD1 LEU A 53 6.838 3.604 9.543 1.00 0.32 C ATOM 402 CD2 LEU A 53 5.921 1.377 8.895 1.00 0.30 C ATOM 0 H LEU A 53 7.535 2.858 5.239 1.00 0.16 H new ATOM 0 HA LEU A 53 5.276 1.400 6.417 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.474 4.132 6.919 1.00 0.21 H new ATOM 0 HB3 LEU A 53 4.951 3.614 7.615 1.00 0.21 H new ATOM 0 HG LEU A 53 7.653 2.307 8.064 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.375 3.129 10.364 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.405 4.465 9.188 1.00 0.32 H new ATOM 0 HD13 LEU A 53 5.859 3.933 9.891 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.466 0.925 9.723 1.00 0.30 H new ATOM 0 HD22 LEU A 53 4.923 1.662 9.230 1.00 0.30 H new ATOM 0 HD23 LEU A 53 5.839 0.659 8.079 1.00 0.30 H new ATOM 414 N TRP A 54 3.586 2.266 4.914 1.00 0.18 N ATOM 415 CA TRP A 54 2.495 2.727 4.091 1.00 0.20 C ATOM 416 C TRP A 54 1.376 3.229 4.983 1.00 0.23 C ATOM 417 O TRP A 54 1.104 2.655 6.033 1.00 0.28 O ATOM 418 CB TRP A 54 1.996 1.573 3.213 1.00 0.22 C ATOM 419 CG TRP A 54 0.873 1.920 2.279 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.407 2.253 2.618 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.916 1.923 0.846 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.148 2.490 1.494 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.365 2.288 0.395 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.910 1.666 -0.100 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.677 2.396 -0.954 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.595 1.771 -1.441 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.308 2.137 -1.854 1.00 0.35 C ATOM 0 H TRP A 54 3.433 1.346 5.328 1.00 0.18 H new ATOM 0 HA TRP A 54 2.832 3.540 3.448 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.833 1.197 2.625 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.670 0.759 3.861 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.780 2.320 3.629 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -2.128 2.772 1.479 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.907 1.390 0.211 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.669 2.676 -1.277 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 2.353 1.568 -2.183 1.00 0.41 H new ATOM 0 HH2 TRP A 54 0.094 2.215 -2.910 1.00 0.35 H new ATOM 438 N SER A 55 0.754 4.315 4.585 1.00 0.26 N ATOM 439 CA SER A 55 -0.453 4.763 5.234 1.00 0.33 C ATOM 440 C SER A 55 -1.246 5.637 4.283 1.00 0.25 C ATOM 441 O SER A 55 -0.781 6.705 3.879 1.00 0.22 O ATOM 442 CB SER A 55 -0.125 5.517 6.528 1.00 0.44 C ATOM 443 OG SER A 55 0.873 6.500 6.314 1.00 1.11 O ATOM 0 H SER A 55 1.066 4.904 3.813 1.00 0.26 H new ATOM 0 HA SER A 55 -1.057 3.896 5.501 1.00 0.33 H new ATOM 0 HB2 SER A 55 -1.028 5.991 6.914 1.00 0.44 H new ATOM 0 HB3 SER A 55 0.214 4.811 7.286 1.00 0.44 H new ATOM 0 HG SER A 55 1.570 6.413 6.998 1.00 1.11 H new ATOM 449 N PHE A 56 -2.422 5.174 3.882 1.00 0.30 N ATOM 450 CA PHE A 56 -3.298 6.021 3.101 1.00 0.28 C ATOM 451 C PHE A 56 -3.760 7.122 4.024 1.00 0.27 C ATOM 452 O PHE A 56 -4.420 6.843 5.019 1.00 0.39 O ATOM 453 CB PHE A 56 -4.542 5.266 2.599 1.00 0.40 C ATOM 454 CG PHE A 56 -4.363 3.795 2.329 1.00 0.30 C ATOM 455 CD1 PHE A 56 -4.353 2.882 3.374 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.247 3.321 1.037 1.00 0.34 C ATOM 457 CE1 PHE A 56 -4.224 1.529 3.131 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.112 1.965 0.789 1.00 0.34 C ATOM 459 CZ PHE A 56 -4.101 1.069 1.838 1.00 0.27 C ATOM 0 H PHE A 56 -2.781 4.240 4.080 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.759 6.388 2.227 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.336 5.385 3.337 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -4.885 5.743 1.681 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -4.447 3.234 4.391 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.262 4.016 0.210 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -4.219 0.831 3.955 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.015 1.609 -0.226 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.996 0.011 1.646 1.00 0.27 H new ATOM 469 N ASN A 57 -3.454 8.359 3.714 1.00 0.24 N ATOM 470 CA ASN A 57 -3.897 9.435 4.567 1.00 0.31 C ATOM 471 C ASN A 57 -5.234 9.917 4.073 1.00 0.33 C ATOM 472 O ASN A 57 -5.327 10.740 3.172 1.00 0.41 O ATOM 473 CB ASN A 57 -2.905 10.590 4.604 1.00 0.45 C ATOM 474 CG ASN A 57 -3.316 11.650 5.608 1.00 1.09 C ATOM 475 OD1 ASN A 57 -4.129 12.523 5.308 1.00 2.12 O ATOM 476 ND2 ASN A 57 -2.773 11.575 6.813 1.00 1.16 N ATOM 0 H ASN A 57 -2.913 8.642 2.897 1.00 0.24 H new ATOM 0 HA ASN A 57 -3.976 9.056 5.586 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -1.915 10.212 4.859 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -2.830 11.037 3.613 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -3.026 12.256 7.529 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -2.102 10.837 7.025 1.00 1.16 H new ATOM 483 N THR A 58 -6.263 9.402 4.688 1.00 0.34 N ATOM 484 CA THR A 58 -7.619 9.744 4.340 1.00 0.40 C ATOM 485 C THR A 58 -8.081 10.917 5.189 1.00 0.48 C ATOM 486 O THR A 58 -9.273 11.136 5.397 1.00 0.61 O ATOM 487 CB THR A 58 -8.505 8.511 4.558 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.122 7.856 5.779 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.359 7.543 3.390 1.00 0.48 C ATOM 0 H THR A 58 -6.186 8.728 5.450 1.00 0.34 H new ATOM 0 HA THR A 58 -7.685 10.043 3.294 1.00 0.40 H new ATOM 0 HB THR A 58 -9.546 8.829 4.624 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.689 7.069 5.920 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.993 6.672 3.558 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.660 8.039 2.467 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.320 7.225 3.309 1.00 0.48 H new ATOM 497 N THR A 59 -7.099 11.659 5.684 1.00 0.50 N ATOM 498 CA THR A 59 -7.332 12.821 6.493 1.00 0.63 C ATOM 499 C THR A 59 -7.260 14.091 5.634 1.00 0.67 C ATOM 500 O THR A 59 -8.063 15.008 5.799 1.00 0.77 O ATOM 501 CB THR A 59 -6.297 12.853 7.627 1.00 0.74 C ATOM 502 OG1 THR A 59 -6.505 11.752 8.523 1.00 0.86 O ATOM 503 CG2 THR A 59 -6.345 14.160 8.385 1.00 0.90 C ATOM 0 H THR A 59 -6.111 11.458 5.526 1.00 0.50 H new ATOM 0 HA THR A 59 -8.330 12.778 6.928 1.00 0.63 H new ATOM 0 HB THR A 59 -5.308 12.764 7.177 1.00 0.74 H new ATOM 0 HG1 THR A 59 -5.838 11.783 9.240 1.00 0.86 H new ATOM 0 HG21 THR A 59 -5.599 14.147 9.180 1.00 0.90 H new ATOM 0 HG22 THR A 59 -6.135 14.984 7.703 1.00 0.90 H new ATOM 0 HG23 THR A 59 -7.336 14.293 8.819 1.00 0.90 H new ATOM 511 N ASN A 60 -6.310 14.128 4.703 1.00 0.65 N ATOM 512 CA ASN A 60 -6.295 15.165 3.671 1.00 0.74 C ATOM 513 C ASN A 60 -6.361 14.516 2.294 1.00 0.72 C ATOM 514 O ASN A 60 -6.214 15.171 1.261 1.00 0.84 O ATOM 515 CB ASN A 60 -5.066 16.083 3.779 1.00 0.86 C ATOM 516 CG ASN A 60 -3.744 15.360 3.611 1.00 1.17 C ATOM 517 OD1 ASN A 60 -3.302 15.099 2.493 1.00 1.99 O ATOM 518 ND2 ASN A 60 -3.080 15.079 4.721 1.00 1.69 N ATOM 0 H ASN A 60 -5.544 13.457 4.641 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.171 15.796 3.821 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.141 16.864 3.023 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.078 16.577 4.750 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -2.166 14.629 4.669 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.482 15.312 5.629 1.00 1.69 H new ATOM 525 N LYS A 61 -6.585 13.204 2.324 1.00 0.64 N ATOM 526 CA LYS A 61 -6.820 12.390 1.138 1.00 0.66 C ATOM 527 C LYS A 61 -5.598 12.309 0.220 1.00 0.65 C ATOM 528 O LYS A 61 -5.608 12.812 -0.901 1.00 0.94 O ATOM 529 CB LYS A 61 -8.034 12.887 0.384 1.00 0.84 C ATOM 530 CG LYS A 61 -9.287 12.908 1.236 1.00 0.96 C ATOM 531 CD LYS A 61 -10.251 13.938 0.723 1.00 0.99 C ATOM 532 CE LYS A 61 -10.830 13.560 -0.632 1.00 1.06 C ATOM 533 NZ LYS A 61 -11.836 12.472 -0.530 1.00 1.65 N ATOM 0 H LYS A 61 -6.608 12.668 3.192 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.012 11.374 1.484 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -7.838 13.892 0.010 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.202 12.251 -0.485 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -9.757 11.925 1.227 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.027 13.128 2.271 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -11.062 14.063 1.440 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.744 14.900 0.644 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -11.291 14.437 -1.085 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.024 13.246 -1.295 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.586 12.625 -1.234 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -11.376 11.556 -0.707 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -12.252 12.472 0.423 1.00 1.65 H new ATOM 547 N SER A 62 -4.551 11.666 0.715 1.00 0.41 N ATOM 548 CA SER A 62 -3.362 11.379 -0.073 1.00 0.38 C ATOM 549 C SER A 62 -2.712 10.107 0.438 1.00 0.35 C ATOM 550 O SER A 62 -2.825 9.775 1.610 1.00 0.50 O ATOM 551 CB SER A 62 -2.363 12.533 -0.004 1.00 0.47 C ATOM 552 OG SER A 62 -2.100 12.909 1.337 1.00 1.28 O ATOM 0 H SER A 62 -4.502 11.328 1.676 1.00 0.41 H new ATOM 0 HA SER A 62 -3.661 11.250 -1.113 1.00 0.38 H new ATOM 0 HB2 SER A 62 -1.433 12.241 -0.491 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.755 13.389 -0.553 1.00 0.47 H new ATOM 0 HG SER A 62 -2.607 13.719 1.555 1.00 1.28 H new ATOM 558 N ILE A 63 -2.052 9.385 -0.437 1.00 0.36 N ATOM 559 CA ILE A 63 -1.340 8.188 -0.028 1.00 0.33 C ATOM 560 C ILE A 63 0.045 8.580 0.447 1.00 0.35 C ATOM 561 O ILE A 63 0.795 9.218 -0.288 1.00 0.54 O ATOM 562 CB ILE A 63 -1.181 7.167 -1.172 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.472 7.039 -1.984 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.772 5.815 -0.604 1.00 0.39 C ATOM 565 CD1 ILE A 63 -2.372 6.041 -3.117 1.00 1.11 C ATOM 0 H ILE A 63 -1.991 9.600 -1.432 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.926 7.719 0.763 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.401 7.523 -1.845 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -3.283 6.743 -1.319 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.735 8.015 -2.392 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.661 5.097 -1.417 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.176 5.914 -0.076 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.538 5.464 0.088 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.321 6.000 -3.651 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.583 6.348 -3.803 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -2.140 5.055 -2.714 1.00 1.11 H new ATOM 577 N ASN A 64 0.384 8.225 1.671 1.00 0.25 N ATOM 578 CA ASN A 64 1.691 8.557 2.202 1.00 0.25 C ATOM 579 C ASN A 64 2.508 7.296 2.407 1.00 0.21 C ATOM 580 O ASN A 64 2.206 6.481 3.282 1.00 0.24 O ATOM 581 CB ASN A 64 1.577 9.329 3.517 1.00 0.34 C ATOM 582 CG ASN A 64 0.750 10.602 3.403 1.00 0.57 C ATOM 583 OD1 ASN A 64 0.153 11.045 4.381 1.00 1.22 O ATOM 584 ND2 ASN A 64 0.699 11.199 2.217 1.00 0.53 N ATOM 0 H ASN A 64 -0.221 7.711 2.311 1.00 0.25 H new ATOM 0 HA ASN A 64 2.195 9.197 1.478 1.00 0.25 H new ATOM 0 HB2 ASN A 64 1.131 8.682 4.272 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.577 9.585 3.867 1.00 0.34 H new ATOM 0 HD21 ASN A 64 0.152 12.052 2.098 1.00 0.53 H new ATOM 0 HD22 ASN A 64 1.207 10.805 1.425 1.00 0.53 H new ATOM 591 N VAL A 65 3.520 7.118 1.575 1.00 0.20 N ATOM 592 CA VAL A 65 4.424 5.990 1.710 1.00 0.18 C ATOM 593 C VAL A 65 5.794 6.503 2.116 1.00 0.20 C ATOM 594 O VAL A 65 6.418 7.274 1.384 1.00 0.25 O ATOM 595 CB VAL A 65 4.551 5.186 0.402 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.250 3.857 0.654 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.191 4.965 -0.232 1.00 0.19 C ATOM 0 H VAL A 65 3.736 7.742 0.798 1.00 0.20 H new ATOM 0 HA VAL A 65 4.016 5.323 2.469 1.00 0.18 H new ATOM 0 HB VAL A 65 5.158 5.765 -0.294 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.330 3.305 -0.282 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.248 4.041 1.053 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.674 3.273 1.372 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.308 4.395 -1.154 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.553 4.412 0.458 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.733 5.928 -0.456 1.00 0.19 H new ATOM 607 N TYR A 66 6.252 6.095 3.283 1.00 0.19 N ATOM 608 CA TYR A 66 7.485 6.619 3.838 1.00 0.21 C ATOM 609 C TYR A 66 8.245 5.545 4.596 1.00 0.21 C ATOM 610 O TYR A 66 7.692 4.526 4.978 1.00 0.24 O ATOM 611 CB TYR A 66 7.188 7.803 4.767 1.00 0.27 C ATOM 612 CG TYR A 66 6.064 7.538 5.745 1.00 0.31 C ATOM 613 CD1 TYR A 66 6.328 6.983 6.991 1.00 0.40 C ATOM 614 CD2 TYR A 66 4.747 7.849 5.433 1.00 0.33 C ATOM 615 CE1 TYR A 66 5.315 6.746 7.896 1.00 0.50 C ATOM 616 CE2 TYR A 66 3.724 7.618 6.337 1.00 0.43 C ATOM 617 CZ TYR A 66 3.982 7.036 7.518 1.00 0.51 C ATOM 618 OH TYR A 66 3.005 6.835 8.472 1.00 0.63 O ATOM 0 H TYR A 66 5.787 5.400 3.867 1.00 0.19 H new ATOM 0 HA TYR A 66 8.108 6.959 3.011 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.091 8.053 5.323 1.00 0.27 H new ATOM 0 HB3 TYR A 66 6.935 8.674 4.162 1.00 0.27 H new ATOM 0 HD1 TYR A 66 7.345 6.733 7.255 1.00 0.40 H new ATOM 0 HD2 TYR A 66 4.517 8.278 4.469 1.00 0.33 H new ATOM 0 HE1 TYR A 66 5.535 6.347 8.875 1.00 0.50 H new ATOM 0 HE2 TYR A 66 2.713 7.908 6.090 1.00 0.43 H new ATOM 0 HH TYR A 66 2.442 7.634 8.537 1.00 0.63 H new ATOM 628 N SER A 67 9.518 5.784 4.778 1.00 0.21 N ATOM 629 CA SER A 67 10.377 4.929 5.564 1.00 0.24 C ATOM 630 C SER A 67 11.480 5.785 6.154 1.00 0.28 C ATOM 631 O SER A 67 11.402 7.015 6.105 1.00 0.30 O ATOM 632 CB SER A 67 10.977 3.807 4.711 1.00 0.26 C ATOM 633 OG SER A 67 11.894 4.310 3.748 1.00 0.29 O ATOM 0 H SER A 67 9.997 6.591 4.379 1.00 0.21 H new ATOM 0 HA SER A 67 9.794 4.458 6.355 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.485 3.091 5.357 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.177 3.268 4.204 1.00 0.26 H new ATOM 0 HG SER A 67 12.258 3.567 3.223 1.00 0.29 H new ATOM 639 N LYS A 68 12.476 5.141 6.740 1.00 0.33 N ATOM 640 CA LYS A 68 13.682 5.820 7.207 1.00 0.38 C ATOM 641 C LYS A 68 14.188 6.823 6.169 1.00 0.36 C ATOM 642 O LYS A 68 14.686 7.899 6.505 1.00 0.42 O ATOM 643 CB LYS A 68 14.800 4.809 7.465 1.00 0.47 C ATOM 644 CG LYS A 68 14.614 3.894 8.670 1.00 0.63 C ATOM 645 CD LYS A 68 13.405 2.981 8.549 1.00 1.00 C ATOM 646 CE LYS A 68 13.450 1.859 9.573 1.00 1.58 C ATOM 647 NZ LYS A 68 12.158 1.129 9.657 1.00 2.03 N ATOM 0 H LYS A 68 12.475 4.135 6.907 1.00 0.33 H new ATOM 0 HA LYS A 68 13.420 6.342 8.127 1.00 0.38 H new ATOM 0 HB2 LYS A 68 14.912 4.187 6.577 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.734 5.356 7.591 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.509 3.285 8.797 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.512 4.503 9.568 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.493 3.563 8.685 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.366 2.558 7.545 1.00 1.00 H new ATOM 0 HE2 LYS A 68 14.245 1.160 9.311 1.00 1.58 H new ATOM 0 HE3 LYS A 68 13.698 2.271 10.551 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 12.336 0.136 9.911 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 11.557 1.569 10.383 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 11.676 1.170 8.737 1.00 2.03 H new ATOM 661 N CYS A 69 14.045 6.458 4.905 1.00 0.36 N ATOM 662 CA CYS A 69 14.637 7.221 3.814 1.00 0.37 C ATOM 663 C CYS A 69 13.599 7.809 2.847 1.00 0.41 C ATOM 664 O CYS A 69 13.685 8.982 2.488 1.00 0.74 O ATOM 665 CB CYS A 69 15.605 6.319 3.063 1.00 0.38 C ATOM 666 SG CYS A 69 16.837 5.513 4.137 1.00 0.38 S ATOM 0 H CYS A 69 13.522 5.635 4.607 1.00 0.36 H new ATOM 0 HA CYS A 69 15.156 8.075 4.250 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.038 5.552 2.536 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.125 6.908 2.307 1.00 0.38 H new ATOM 671 N ILE A 70 12.628 7.006 2.415 1.00 0.25 N ATOM 672 CA ILE A 70 11.661 7.457 1.410 1.00 0.22 C ATOM 673 C ILE A 70 10.469 8.130 2.089 1.00 0.23 C ATOM 674 O ILE A 70 10.194 7.875 3.258 1.00 0.27 O ATOM 675 CB ILE A 70 11.194 6.284 0.523 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.430 6.782 -0.701 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.339 5.301 1.303 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.344 5.748 -1.789 1.00 0.23 C ATOM 0 H ILE A 70 12.489 6.049 2.740 1.00 0.25 H new ATOM 0 HA ILE A 70 12.152 8.186 0.765 1.00 0.22 H new ATOM 0 HB ILE A 70 12.092 5.766 0.185 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.423 7.074 -0.402 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.919 7.675 -1.091 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.028 4.488 0.646 1.00 0.22 H new ATOM 0 HG22 ILE A 70 10.917 4.896 2.134 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.457 5.812 1.690 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.791 6.155 -2.635 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.349 5.474 -2.111 1.00 0.23 H new ATOM 0 HD13 ILE A 70 9.830 4.864 -1.411 1.00 0.23 H new ATOM 690 N SER A 71 9.785 9.000 1.363 1.00 0.24 N ATOM 691 CA SER A 71 8.641 9.725 1.906 1.00 0.28 C ATOM 692 C SER A 71 7.906 10.447 0.784 1.00 0.29 C ATOM 693 O SER A 71 8.370 11.467 0.287 1.00 0.39 O ATOM 694 CB SER A 71 9.110 10.737 2.959 1.00 0.42 C ATOM 695 OG SER A 71 8.015 11.402 3.570 1.00 1.12 O ATOM 0 H SER A 71 10.001 9.224 0.392 1.00 0.24 H new ATOM 0 HA SER A 71 7.963 9.014 2.378 1.00 0.28 H new ATOM 0 HB2 SER A 71 9.696 10.224 3.722 1.00 0.42 H new ATOM 0 HB3 SER A 71 9.767 11.471 2.492 1.00 0.42 H new ATOM 0 HG SER A 71 8.349 12.038 4.236 1.00 1.12 H new ATOM 701 N GLY A 72 6.770 9.916 0.368 1.00 0.30 N ATOM 702 CA GLY A 72 6.073 10.517 -0.744 1.00 0.42 C ATOM 703 C GLY A 72 4.577 10.563 -0.577 1.00 0.31 C ATOM 704 O GLY A 72 3.997 9.820 0.214 1.00 0.40 O ATOM 0 H GLY A 72 6.324 9.093 0.773 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.444 11.532 -0.886 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.310 9.961 -1.651 1.00 0.42 H new ATOM 708 N LYS A 73 3.965 11.451 -1.339 1.00 0.24 N ATOM 709 CA LYS A 73 2.532 11.620 -1.345 1.00 0.23 C ATOM 710 C LYS A 73 1.957 11.055 -2.633 1.00 0.21 C ATOM 711 O LYS A 73 2.699 10.786 -3.572 1.00 0.27 O ATOM 712 CB LYS A 73 2.197 13.104 -1.230 1.00 0.35 C ATOM 713 CG LYS A 73 2.724 13.943 -2.368 1.00 1.00 C ATOM 714 CD LYS A 73 1.646 14.847 -2.915 1.00 0.70 C ATOM 715 CE LYS A 73 0.750 14.085 -3.858 1.00 0.43 C ATOM 716 NZ LYS A 73 -0.272 14.956 -4.495 1.00 0.64 N ATOM 0 H LYS A 73 4.457 12.078 -1.975 1.00 0.24 H new ATOM 0 HA LYS A 73 2.097 11.087 -0.499 1.00 0.23 H new ATOM 0 HB2 LYS A 73 1.114 13.218 -1.179 1.00 0.35 H new ATOM 0 HB3 LYS A 73 2.602 13.486 -0.293 1.00 0.35 H new ATOM 0 HG2 LYS A 73 3.567 14.542 -2.023 1.00 1.00 H new ATOM 0 HG3 LYS A 73 3.097 13.295 -3.161 1.00 1.00 H new ATOM 0 HD2 LYS A 73 1.057 15.258 -2.095 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.099 15.690 -3.436 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.357 13.615 -4.632 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.252 13.283 -3.313 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 -1.222 14.633 -4.222 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.137 15.938 -4.180 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 -0.173 14.908 -5.529 1.00 0.64 H new ATOM 730 N ALA A 74 0.647 10.887 -2.680 1.00 0.21 N ATOM 731 CA ALA A 74 -0.016 10.391 -3.876 1.00 0.22 C ATOM 732 C ALA A 74 -1.497 10.689 -3.825 1.00 0.26 C ATOM 733 O ALA A 74 -2.110 10.608 -2.768 1.00 0.41 O ATOM 734 CB ALA A 74 0.190 8.892 -4.021 1.00 0.23 C ATOM 0 H ALA A 74 0.019 11.087 -1.902 1.00 0.21 H new ATOM 0 HA ALA A 74 0.423 10.897 -4.736 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.314 8.541 -4.922 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.256 8.677 -4.094 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.224 8.382 -3.151 1.00 0.23 H new ATOM 740 N VAL A 75 -2.071 11.048 -4.954 1.00 0.28 N ATOM 741 CA VAL A 75 -3.509 11.165 -5.043 1.00 0.33 C ATOM 742 C VAL A 75 -4.065 9.836 -5.511 1.00 0.29 C ATOM 743 O VAL A 75 -3.598 9.280 -6.508 1.00 0.29 O ATOM 744 CB VAL A 75 -3.949 12.273 -6.011 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.440 12.533 -5.895 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.150 13.542 -5.769 1.00 0.80 C ATOM 0 H VAL A 75 -1.568 11.262 -5.815 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.892 11.431 -4.058 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.750 11.938 -7.029 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.727 13.322 -6.590 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.988 11.622 -6.134 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.677 12.843 -4.877 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.476 14.315 -6.464 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.310 13.883 -4.746 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.090 13.339 -5.923 1.00 0.80 H new ATOM 756 N TYR A 76 -5.037 9.319 -4.791 1.00 0.29 N ATOM 757 CA TYR A 76 -5.545 7.989 -5.075 1.00 0.25 C ATOM 758 C TYR A 76 -6.777 8.031 -5.961 1.00 0.29 C ATOM 759 O TYR A 76 -7.539 8.999 -5.962 1.00 0.42 O ATOM 760 CB TYR A 76 -5.821 7.192 -3.788 1.00 0.29 C ATOM 761 CG TYR A 76 -6.603 7.920 -2.716 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.956 8.191 -2.867 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.982 8.312 -1.538 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.666 8.840 -1.874 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.686 8.955 -0.540 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.026 9.216 -0.713 1.00 0.64 C ATOM 767 OH TYR A 76 -8.727 9.861 0.277 1.00 0.75 O ATOM 0 H TYR A 76 -5.490 9.793 -4.010 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.761 7.468 -5.624 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.364 6.285 -4.054 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.866 6.879 -3.365 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.461 7.891 -3.773 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.930 8.110 -1.400 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.717 9.051 -2.008 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.188 9.252 0.371 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.676 9.625 0.213 1.00 0.75 H new ATOM 777 N SER A 77 -6.946 6.972 -6.727 1.00 0.25 N ATOM 778 CA SER A 77 -8.072 6.826 -7.626 1.00 0.29 C ATOM 779 C SER A 77 -8.557 5.387 -7.586 1.00 0.23 C ATOM 780 O SER A 77 -7.807 4.498 -7.189 1.00 0.26 O ATOM 781 CB SER A 77 -7.666 7.206 -9.041 1.00 0.39 C ATOM 782 OG SER A 77 -7.046 8.484 -9.071 1.00 0.98 O ATOM 0 H SER A 77 -6.300 6.183 -6.743 1.00 0.25 H new ATOM 0 HA SER A 77 -8.878 7.489 -7.311 1.00 0.29 H new ATOM 0 HB2 SER A 77 -6.981 6.457 -9.439 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.545 7.210 -9.686 1.00 0.39 H new ATOM 0 HG SER A 77 -6.793 8.703 -9.992 1.00 0.98 H new ATOM 788 N PHE A 78 -9.798 5.152 -7.976 1.00 0.20 N ATOM 789 CA PHE A 78 -10.344 3.805 -7.967 1.00 0.20 C ATOM 790 C PHE A 78 -10.990 3.484 -9.302 1.00 0.22 C ATOM 791 O PHE A 78 -11.710 4.307 -9.866 1.00 0.28 O ATOM 792 CB PHE A 78 -11.370 3.645 -6.845 1.00 0.24 C ATOM 793 CG PHE A 78 -10.808 3.875 -5.474 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.258 2.827 -4.759 1.00 0.36 C ATOM 795 CD2 PHE A 78 -10.832 5.138 -4.902 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.743 3.032 -3.497 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.317 5.351 -3.641 1.00 0.47 C ATOM 798 CZ PHE A 78 -9.771 4.295 -2.935 1.00 0.50 C ATOM 0 H PHE A 78 -10.444 5.872 -8.301 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.523 3.110 -7.794 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.190 4.343 -7.013 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.791 2.641 -6.891 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.232 1.839 -5.193 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.259 5.964 -5.451 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.317 2.206 -2.947 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.340 6.339 -3.206 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.367 4.456 -1.946 1.00 0.50 H new ATOM 808 N ASN A 79 -10.716 2.295 -9.814 1.00 0.21 N ATOM 809 CA ASN A 79 -11.337 1.845 -11.048 1.00 0.23 C ATOM 810 C ASN A 79 -11.699 0.373 -10.934 1.00 0.26 C ATOM 811 O ASN A 79 -10.817 -0.480 -10.871 1.00 0.31 O ATOM 812 CB ASN A 79 -10.399 2.066 -12.234 1.00 0.31 C ATOM 813 CG ASN A 79 -11.095 1.874 -13.568 1.00 0.45 C ATOM 814 OD1 ASN A 79 -12.281 2.159 -13.710 1.00 0.77 O ATOM 815 ND2 ASN A 79 -10.366 1.384 -14.555 1.00 0.59 N ATOM 0 H ASN A 79 -10.070 1.626 -9.395 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.244 2.426 -11.215 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.987 3.074 -12.184 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.559 1.375 -12.163 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.786 1.231 -15.472 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -9.383 1.159 -14.400 1.00 0.59 H new ATOM 822 N ALA A 80 -12.998 0.088 -10.873 1.00 0.28 N ATOM 823 CA ALA A 80 -13.496 -1.284 -10.756 1.00 0.38 C ATOM 824 C ALA A 80 -12.926 -1.976 -9.515 1.00 0.46 C ATOM 825 O ALA A 80 -12.574 -3.158 -9.550 1.00 0.95 O ATOM 826 CB ALA A 80 -13.170 -2.079 -12.014 1.00 0.45 C ATOM 0 H ALA A 80 -13.732 0.795 -10.903 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.579 -1.241 -10.645 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.547 -3.096 -11.910 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.639 -1.605 -12.876 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -12.090 -2.106 -12.158 1.00 0.45 H new ATOM 832 N GLY A 81 -12.825 -1.227 -8.425 1.00 0.24 N ATOM 833 CA GLY A 81 -12.324 -1.777 -7.182 1.00 0.21 C ATOM 834 C GLY A 81 -10.811 -1.746 -7.082 1.00 0.21 C ATOM 835 O GLY A 81 -10.241 -2.123 -6.060 1.00 0.31 O ATOM 0 H GLY A 81 -13.083 -0.241 -8.381 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.748 -1.218 -6.348 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.667 -2.807 -7.083 1.00 0.21 H new ATOM 839 N LYS A 82 -10.157 -1.307 -8.144 1.00 0.19 N ATOM 840 CA LYS A 82 -8.708 -1.194 -8.154 1.00 0.20 C ATOM 841 C LYS A 82 -8.273 0.143 -7.571 1.00 0.20 C ATOM 842 O LYS A 82 -8.697 1.202 -8.037 1.00 0.26 O ATOM 843 CB LYS A 82 -8.182 -1.347 -9.579 1.00 0.23 C ATOM 844 CG LYS A 82 -8.335 -2.753 -10.130 1.00 0.26 C ATOM 845 CD LYS A 82 -7.394 -3.720 -9.434 1.00 0.23 C ATOM 846 CE LYS A 82 -7.591 -5.145 -9.932 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.416 -6.009 -9.641 1.00 1.32 N ATOM 0 H LYS A 82 -10.608 -1.022 -9.013 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.291 -1.990 -7.537 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.710 -0.650 -10.230 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -7.128 -1.069 -9.601 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.365 -3.087 -10.001 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -8.132 -2.751 -11.201 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.362 -3.413 -9.606 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -7.563 -3.683 -8.358 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -8.478 -5.572 -9.465 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -7.772 -5.131 -11.007 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.896 -6.196 -10.522 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -5.789 -5.527 -8.965 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -6.740 -6.909 -9.232 1.00 1.32 H new ATOM 861 N PHE A 83 -7.431 0.077 -6.556 1.00 0.16 N ATOM 862 CA PHE A 83 -6.953 1.258 -5.860 1.00 0.16 C ATOM 863 C PHE A 83 -5.646 1.743 -6.475 1.00 0.16 C ATOM 864 O PHE A 83 -4.706 0.973 -6.668 1.00 0.17 O ATOM 865 CB PHE A 83 -6.804 0.927 -4.359 1.00 0.15 C ATOM 866 CG PHE A 83 -5.772 1.728 -3.604 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.102 2.929 -2.992 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.467 1.261 -3.495 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.151 3.646 -2.293 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.514 1.975 -2.796 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.860 3.167 -2.196 1.00 0.22 C ATOM 0 H PHE A 83 -7.058 -0.799 -6.190 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.670 2.072 -5.962 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.771 1.072 -3.878 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.556 -0.130 -4.263 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.111 3.306 -3.063 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.195 0.327 -3.964 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.417 4.581 -1.822 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.503 1.602 -2.720 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.118 3.728 -1.648 1.00 0.22 H new ATOM 881 N MET A 84 -5.608 3.022 -6.811 1.00 0.19 N ATOM 882 CA MET A 84 -4.478 3.589 -7.519 1.00 0.19 C ATOM 883 C MET A 84 -3.898 4.776 -6.785 1.00 0.24 C ATOM 884 O MET A 84 -4.460 5.245 -5.797 1.00 0.44 O ATOM 885 CB MET A 84 -4.909 4.016 -8.915 1.00 0.22 C ATOM 886 CG MET A 84 -5.628 2.922 -9.654 1.00 0.21 C ATOM 887 SD MET A 84 -6.109 3.381 -11.316 1.00 0.25 S ATOM 888 CE MET A 84 -6.546 1.757 -11.897 1.00 0.23 C ATOM 0 H MET A 84 -6.352 3.688 -6.602 1.00 0.19 H new ATOM 0 HA MET A 84 -3.706 2.822 -7.584 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.559 4.888 -8.841 1.00 0.22 H new ATOM 0 HB3 MET A 84 -4.032 4.320 -9.486 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.986 2.042 -9.700 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.518 2.638 -9.092 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.106 1.842 -12.828 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.640 1.176 -12.070 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.160 1.256 -11.149 1.00 0.23 H new ATOM 898 N GLY A 85 -2.779 5.266 -7.292 1.00 0.19 N ATOM 899 CA GLY A 85 -2.129 6.399 -6.688 1.00 0.23 C ATOM 900 C GLY A 85 -0.955 6.888 -7.496 1.00 0.30 C ATOM 901 O GLY A 85 -0.014 6.138 -7.736 1.00 0.61 O ATOM 0 H GLY A 85 -2.309 4.893 -8.117 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.850 7.209 -6.573 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.791 6.129 -5.688 1.00 0.23 H new ATOM 905 N ASN A 86 -1.008 8.134 -7.934 1.00 0.27 N ATOM 906 CA ASN A 86 0.130 8.730 -8.617 1.00 0.30 C ATOM 907 C ASN A 86 0.973 9.481 -7.595 1.00 0.24 C ATOM 908 O ASN A 86 0.480 10.379 -6.910 1.00 0.23 O ATOM 909 CB ASN A 86 -0.322 9.657 -9.749 1.00 0.41 C ATOM 910 CG ASN A 86 0.807 9.976 -10.716 1.00 0.58 C ATOM 911 OD1 ASN A 86 1.972 10.063 -10.327 1.00 1.51 O ATOM 912 ND2 ASN A 86 0.474 10.130 -11.985 1.00 0.93 N ATOM 0 H ASN A 86 -1.816 8.748 -7.831 1.00 0.27 H new ATOM 0 HA ASN A 86 0.729 7.943 -9.076 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.143 9.190 -10.293 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.708 10.584 -9.325 1.00 0.41 H new ATOM 0 HD21 ASN A 86 1.193 10.328 -12.681 1.00 0.93 H new ATOM 0 HD22 ASN A 86 -0.502 10.051 -12.269 1.00 0.93 H new ATOM 919 N PHE A 87 2.238 9.104 -7.497 1.00 0.23 N ATOM 920 CA PHE A 87 3.070 9.503 -6.373 1.00 0.20 C ATOM 921 C PHE A 87 3.974 10.682 -6.668 1.00 0.22 C ATOM 922 O PHE A 87 4.329 10.964 -7.811 1.00 0.30 O ATOM 923 CB PHE A 87 3.931 8.331 -5.908 1.00 0.24 C ATOM 924 CG PHE A 87 3.172 7.304 -5.129 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.497 6.284 -5.773 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.128 7.371 -3.747 1.00 0.23 C ATOM 927 CE1 PHE A 87 1.789 5.344 -5.055 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.419 6.436 -3.022 1.00 0.27 C ATOM 929 CZ PHE A 87 1.746 5.417 -3.674 1.00 0.28 C ATOM 0 H PHE A 87 2.713 8.520 -8.185 1.00 0.23 H new ATOM 0 HA PHE A 87 2.376 9.814 -5.592 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.383 7.855 -6.778 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.747 8.711 -5.294 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.525 6.223 -6.851 1.00 0.23 H new ATOM 0 HD2 PHE A 87 3.653 8.162 -3.232 1.00 0.23 H new ATOM 0 HE1 PHE A 87 1.268 4.551 -5.570 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.389 6.499 -1.944 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.191 4.684 -3.108 1.00 0.28 H new ATOM 939 N ASN A 88 4.331 11.351 -5.591 1.00 0.21 N ATOM 940 CA ASN A 88 5.361 12.367 -5.587 1.00 0.26 C ATOM 941 C ASN A 88 6.269 12.096 -4.400 1.00 0.27 C ATOM 942 O ASN A 88 6.139 12.706 -3.335 1.00 0.42 O ATOM 943 CB ASN A 88 4.766 13.758 -5.480 1.00 0.34 C ATOM 944 CG ASN A 88 5.799 14.840 -5.741 1.00 1.15 C ATOM 945 OD1 ASN A 88 6.787 14.613 -6.438 1.00 2.02 O ATOM 946 ND2 ASN A 88 5.567 16.031 -5.210 1.00 1.66 N ATOM 0 H ASN A 88 3.905 11.200 -4.677 1.00 0.21 H new ATOM 0 HA ASN A 88 5.919 12.327 -6.523 1.00 0.26 H new ATOM 0 HB2 ASN A 88 3.948 13.858 -6.193 1.00 0.34 H new ATOM 0 HB3 ASN A 88 4.341 13.895 -4.486 1.00 0.34 H new ATOM 0 HD21 ASN A 88 6.219 16.798 -5.374 1.00 1.66 H new ATOM 0 HD22 ASN A 88 4.736 16.181 -4.637 1.00 1.66 H new ATOM 953 N VAL A 89 7.156 11.144 -4.586 1.00 0.24 N ATOM 954 CA VAL A 89 7.941 10.602 -3.486 1.00 0.24 C ATOM 955 C VAL A 89 9.279 11.314 -3.340 1.00 0.30 C ATOM 956 O VAL A 89 9.953 11.623 -4.323 1.00 0.34 O ATOM 957 CB VAL A 89 8.221 9.088 -3.655 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.216 8.391 -2.314 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.229 8.422 -4.606 1.00 0.25 C ATOM 0 H VAL A 89 7.357 10.723 -5.493 1.00 0.24 H new ATOM 0 HA VAL A 89 7.337 10.762 -2.593 1.00 0.24 H new ATOM 0 HB VAL A 89 9.212 8.993 -4.099 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.415 7.329 -2.455 1.00 0.28 H new ATOM 0 HG12 VAL A 89 8.988 8.823 -1.677 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.242 8.518 -1.841 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.465 7.361 -4.693 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.218 8.538 -4.217 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.296 8.891 -5.588 1.00 0.25 H new ATOM 969 N LYS A 90 9.649 11.563 -2.100 1.00 0.33 N ATOM 970 CA LYS A 90 10.969 12.067 -1.765 1.00 0.41 C ATOM 971 C LYS A 90 11.844 10.854 -1.491 1.00 0.33 C ATOM 972 O LYS A 90 11.554 10.073 -0.582 1.00 0.35 O ATOM 973 CB LYS A 90 10.886 12.980 -0.540 1.00 0.54 C ATOM 974 CG LYS A 90 12.003 14.005 -0.450 1.00 0.99 C ATOM 975 CD LYS A 90 13.340 13.371 -0.121 1.00 1.48 C ATOM 976 CE LYS A 90 14.459 14.401 -0.128 1.00 2.27 C ATOM 977 NZ LYS A 90 14.544 15.120 -1.428 1.00 2.81 N ATOM 0 H LYS A 90 9.042 11.422 -1.293 1.00 0.33 H new ATOM 0 HA LYS A 90 11.389 12.660 -2.577 1.00 0.41 H new ATOM 0 HB2 LYS A 90 9.929 13.502 -0.554 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.900 12.364 0.359 1.00 0.54 H new ATOM 0 HG2 LYS A 90 12.080 14.539 -1.397 1.00 0.99 H new ATOM 0 HG3 LYS A 90 11.756 14.743 0.313 1.00 0.99 H new ATOM 0 HD2 LYS A 90 13.288 12.895 0.858 1.00 1.48 H new ATOM 0 HD3 LYS A 90 13.561 12.587 -0.845 1.00 1.48 H new ATOM 0 HE2 LYS A 90 14.295 15.120 0.674 1.00 2.27 H new ATOM 0 HE3 LYS A 90 15.409 13.907 0.076 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 15.543 15.253 -1.686 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 14.067 14.562 -2.165 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 14.082 16.048 -1.343 1.00 2.81 H new ATOM 991 N GLU A 91 12.889 10.674 -2.274 1.00 0.41 N ATOM 992 CA GLU A 91 13.575 9.396 -2.297 1.00 0.44 C ATOM 993 C GLU A 91 15.087 9.540 -2.339 1.00 0.46 C ATOM 994 O GLU A 91 15.643 10.464 -2.936 1.00 0.62 O ATOM 995 CB GLU A 91 13.104 8.588 -3.493 1.00 0.72 C ATOM 996 CG GLU A 91 13.487 7.127 -3.468 1.00 0.52 C ATOM 997 CD GLU A 91 13.284 6.460 -4.814 1.00 1.20 C ATOM 998 OE1 GLU A 91 13.880 6.932 -5.809 1.00 1.68 O ATOM 999 OE2 GLU A 91 12.544 5.461 -4.883 1.00 1.57 O ATOM 0 H GLU A 91 13.278 11.384 -2.894 1.00 0.41 H new ATOM 0 HA GLU A 91 13.329 8.881 -1.368 1.00 0.44 H new ATOM 0 HB2 GLU A 91 12.018 8.662 -3.558 1.00 0.72 H new ATOM 0 HB3 GLU A 91 13.509 9.039 -4.399 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.531 7.032 -3.171 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.893 6.610 -2.715 1.00 0.52 H new ATOM 1006 N VAL A 92 15.721 8.593 -1.694 1.00 0.45 N ATOM 1007 CA VAL A 92 17.168 8.489 -1.615 1.00 0.43 C ATOM 1008 C VAL A 92 17.628 7.308 -2.456 1.00 0.41 C ATOM 1009 O VAL A 92 16.825 6.461 -2.833 1.00 0.40 O ATOM 1010 CB VAL A 92 17.650 8.283 -0.165 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.140 9.384 0.725 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.220 6.936 0.356 1.00 0.40 C ATOM 0 H VAL A 92 15.236 7.849 -1.193 1.00 0.45 H new ATOM 0 HA VAL A 92 17.592 9.422 -1.986 1.00 0.43 H new ATOM 0 HB VAL A 92 18.739 8.316 -0.161 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.491 9.220 1.744 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.509 10.344 0.364 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.050 9.386 0.713 1.00 0.53 H new ATOM 0 HG21 VAL A 92 17.571 6.813 1.380 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.132 6.868 0.335 1.00 0.40 H new ATOM 0 HG23 VAL A 92 17.645 6.151 -0.270 1.00 0.40 H new ATOM 1022 N ASP A 93 18.887 7.271 -2.798 1.00 0.44 N ATOM 1023 CA ASP A 93 19.438 6.112 -3.475 1.00 0.45 C ATOM 1024 C ASP A 93 20.548 5.506 -2.643 1.00 0.46 C ATOM 1025 O ASP A 93 21.384 6.218 -2.085 1.00 0.57 O ATOM 1026 CB ASP A 93 19.935 6.500 -4.855 1.00 0.56 C ATOM 1027 CG ASP A 93 20.445 5.319 -5.648 1.00 1.17 C ATOM 1028 OD1 ASP A 93 19.632 4.675 -6.341 1.00 1.78 O ATOM 1029 OD2 ASP A 93 21.657 5.036 -5.587 1.00 1.83 O ATOM 0 H ASP A 93 19.554 8.023 -2.623 1.00 0.44 H new ATOM 0 HA ASP A 93 18.657 5.362 -3.597 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.126 6.979 -5.406 1.00 0.56 H new ATOM 0 HB3 ASP A 93 20.733 7.236 -4.755 1.00 0.56 H new ATOM 1034 N GLY A 94 20.537 4.190 -2.554 1.00 0.42 N ATOM 1035 CA GLY A 94 21.468 3.494 -1.689 1.00 0.43 C ATOM 1036 C GLY A 94 20.793 2.911 -0.460 1.00 0.40 C ATOM 1037 O GLY A 94 21.256 1.913 0.090 1.00 0.48 O ATOM 0 H GLY A 94 19.897 3.584 -3.068 1.00 0.42 H new ATOM 0 HA2 GLY A 94 21.951 2.693 -2.249 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.253 4.182 -1.377 1.00 0.43 H new ATOM 1041 N CYS A 95 19.680 3.509 -0.047 1.00 0.33 N ATOM 1042 CA CYS A 95 18.966 3.059 1.148 1.00 0.31 C ATOM 1043 C CYS A 95 18.093 1.882 0.782 1.00 0.27 C ATOM 1044 O CYS A 95 17.990 0.896 1.513 1.00 0.32 O ATOM 1045 CB CYS A 95 18.112 4.189 1.723 1.00 0.33 C ATOM 1046 SG CYS A 95 17.196 3.736 3.231 1.00 0.42 S ATOM 0 H CYS A 95 19.252 4.305 -0.520 1.00 0.33 H new ATOM 0 HA CYS A 95 19.688 2.761 1.908 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.756 5.040 1.944 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.402 4.515 0.964 1.00 0.33 H new ATOM 1051 N PHE A 96 17.483 1.997 -0.377 1.00 0.24 N ATOM 1052 CA PHE A 96 16.741 0.909 -0.972 1.00 0.23 C ATOM 1053 C PHE A 96 17.690 0.151 -1.890 1.00 0.24 C ATOM 1054 O PHE A 96 17.277 -0.394 -2.908 1.00 0.23 O ATOM 1055 CB PHE A 96 15.563 1.451 -1.792 1.00 0.24 C ATOM 1056 CG PHE A 96 14.972 2.727 -1.259 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.553 3.923 -1.600 1.00 0.30 C ATOM 1058 CD2 PHE A 96 13.868 2.743 -0.418 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.059 5.113 -1.117 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.367 3.932 0.063 1.00 0.24 C ATOM 1061 CZ PHE A 96 13.969 5.117 -0.284 1.00 0.31 C ATOM 0 H PHE A 96 17.488 2.851 -0.935 1.00 0.24 H new ATOM 0 HA PHE A 96 16.345 0.257 -0.194 1.00 0.23 H new ATOM 0 HB2 PHE A 96 15.895 1.619 -2.816 1.00 0.24 H new ATOM 0 HB3 PHE A 96 14.782 0.691 -1.830 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.410 3.930 -2.257 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.397 1.813 -0.138 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.530 6.045 -1.394 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.503 3.933 0.711 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.585 6.051 0.099 1.00 0.31 H new ATOM 1071 N MET A 97 18.974 0.147 -1.522 1.00 0.27 N ATOM 1072 CA MET A 97 20.029 -0.397 -2.365 1.00 0.29 C ATOM 1073 C MET A 97 19.776 -0.044 -3.831 1.00 0.31 C ATOM 1074 O MET A 97 19.427 1.095 -4.159 1.00 0.40 O ATOM 1075 CB MET A 97 20.132 -1.917 -2.188 1.00 0.29 C ATOM 1076 CG MET A 97 20.411 -2.357 -0.759 1.00 0.33 C ATOM 1077 SD MET A 97 21.145 -4.004 -0.669 1.00 0.45 S ATOM 1078 CE MET A 97 19.982 -4.966 -1.632 1.00 1.22 C ATOM 0 H MET A 97 19.306 0.521 -0.633 1.00 0.27 H new ATOM 0 HA MET A 97 20.976 0.048 -2.061 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.201 -2.375 -2.523 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.924 -2.295 -2.835 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.081 -1.639 -0.286 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.480 -2.347 -0.192 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.317 -6.002 -1.678 1.00 1.22 H new ATOM 0 HE2 MET A 97 18.999 -4.923 -1.164 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.921 -4.559 -2.641 1.00 1.22 H new ATOM 1088 N ASP A 98 19.981 -1.012 -4.702 1.00 0.30 N ATOM 1089 CA ASP A 98 19.601 -0.903 -6.086 1.00 0.31 C ATOM 1090 C ASP A 98 18.325 -1.657 -6.385 1.00 0.26 C ATOM 1091 O ASP A 98 17.366 -1.105 -6.923 1.00 0.25 O ATOM 1092 CB ASP A 98 20.719 -1.504 -6.917 1.00 0.40 C ATOM 1093 CG ASP A 98 21.342 -2.733 -6.274 1.00 1.01 C ATOM 1094 OD1 ASP A 98 20.839 -3.854 -6.496 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.335 -2.580 -5.531 1.00 1.19 O ATOM 0 H ASP A 98 20.420 -1.901 -4.462 1.00 0.30 H new ATOM 0 HA ASP A 98 19.431 0.148 -6.320 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.330 -1.772 -7.899 1.00 0.40 H new ATOM 0 HB3 ASP A 98 21.492 -0.752 -7.075 1.00 0.40 H new ATOM 1100 N ALA A 99 18.310 -2.901 -5.980 1.00 0.24 N ATOM 1101 CA ALA A 99 17.268 -3.818 -6.378 1.00 0.24 C ATOM 1102 C ALA A 99 16.020 -3.612 -5.554 1.00 0.20 C ATOM 1103 O ALA A 99 14.910 -3.908 -5.991 1.00 0.20 O ATOM 1104 CB ALA A 99 17.773 -5.238 -6.270 1.00 0.28 C ATOM 0 H ALA A 99 19.016 -3.308 -5.367 1.00 0.24 H new ATOM 0 HA ALA A 99 17.001 -3.622 -7.417 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.985 -5.928 -6.571 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.637 -5.367 -6.922 1.00 0.28 H new ATOM 0 HB3 ALA A 99 18.062 -5.444 -5.239 1.00 0.28 H new ATOM 1110 N GLN A 100 16.215 -3.086 -4.366 1.00 0.18 N ATOM 1111 CA GLN A 100 15.116 -2.781 -3.476 1.00 0.16 C ATOM 1112 C GLN A 100 14.389 -1.559 -3.995 1.00 0.14 C ATOM 1113 O GLN A 100 13.175 -1.434 -3.878 1.00 0.13 O ATOM 1114 CB GLN A 100 15.640 -2.511 -2.083 1.00 0.19 C ATOM 1115 CG GLN A 100 16.692 -3.503 -1.644 1.00 0.23 C ATOM 1116 CD GLN A 100 16.866 -3.539 -0.150 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.651 -2.789 0.422 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.131 -4.417 0.490 1.00 1.27 N ATOM 0 H GLN A 100 17.135 -2.858 -3.990 1.00 0.18 H new ATOM 0 HA GLN A 100 14.432 -3.628 -3.435 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.060 -1.506 -2.047 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.809 -2.535 -1.378 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.419 -4.497 -1.998 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.643 -3.248 -2.111 1.00 0.23 H new ATOM 0 HE21 GLN A 100 15.491 -5.020 -0.027 1.00 1.27 H new ATOM 0 HE22 GLN A 100 16.199 -4.496 1.505 1.00 1.27 H new ATOM 1127 N LYS A 101 15.169 -0.653 -4.556 1.00 0.16 N ATOM 1128 CA LYS A 101 14.640 0.521 -5.222 1.00 0.17 C ATOM 1129 C LYS A 101 13.828 0.104 -6.438 1.00 0.17 C ATOM 1130 O LYS A 101 12.735 0.615 -6.669 1.00 0.17 O ATOM 1131 CB LYS A 101 15.789 1.448 -5.618 1.00 0.23 C ATOM 1132 CG LYS A 101 15.343 2.690 -6.337 1.00 0.28 C ATOM 1133 CD LYS A 101 16.469 3.702 -6.426 1.00 0.50 C ATOM 1134 CE LYS A 101 16.008 4.988 -7.083 1.00 1.21 C ATOM 1135 NZ LYS A 101 17.049 6.046 -7.021 1.00 1.85 N ATOM 0 H LYS A 101 16.187 -0.711 -4.562 1.00 0.16 H new ATOM 0 HA LYS A 101 13.980 1.062 -4.543 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.338 1.735 -4.721 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.483 0.900 -6.255 1.00 0.23 H new ATOM 0 HG2 LYS A 101 15.002 2.431 -7.339 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.494 3.131 -5.815 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.846 3.918 -5.426 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.297 3.278 -6.994 1.00 0.50 H new ATOM 0 HE2 LYS A 101 15.751 4.792 -8.124 1.00 1.21 H new ATOM 0 HE3 LYS A 101 15.101 5.342 -6.592 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 17.103 6.534 -7.938 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 16.804 6.731 -6.278 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 17.970 5.615 -6.803 1.00 1.85 H new ATOM 1149 N ILE A 102 14.375 -0.826 -7.212 1.00 0.17 N ATOM 1150 CA ILE A 102 13.625 -1.482 -8.275 1.00 0.18 C ATOM 1151 C ILE A 102 12.321 -2.066 -7.737 1.00 0.15 C ATOM 1152 O ILE A 102 11.260 -1.858 -8.316 1.00 0.15 O ATOM 1153 CB ILE A 102 14.457 -2.601 -8.909 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.754 -2.008 -9.449 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.675 -3.305 -10.016 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.780 -3.043 -9.840 1.00 0.25 C ATOM 0 H ILE A 102 15.340 -1.144 -7.122 1.00 0.17 H new ATOM 0 HA ILE A 102 13.394 -0.732 -9.031 1.00 0.18 H new ATOM 0 HB ILE A 102 14.690 -3.350 -8.152 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.526 -1.390 -10.317 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.184 -1.351 -8.694 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.289 -4.095 -10.449 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.766 -3.739 -9.600 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.412 -2.584 -10.790 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.674 -2.545 -10.215 1.00 0.25 H new ATOM 0 HD12 ILE A 102 17.038 -3.646 -8.970 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.370 -3.686 -10.619 1.00 0.25 H new ATOM 1168 N ALA A 103 12.417 -2.787 -6.617 1.00 0.13 N ATOM 1169 CA ALA A 103 11.247 -3.342 -5.932 1.00 0.11 C ATOM 1170 C ALA A 103 10.202 -2.263 -5.678 1.00 0.10 C ATOM 1171 O ALA A 103 9.003 -2.487 -5.810 1.00 0.10 O ATOM 1172 CB ALA A 103 11.656 -3.952 -4.606 1.00 0.11 C ATOM 0 H ALA A 103 13.304 -3.002 -6.161 1.00 0.13 H new ATOM 0 HA ALA A 103 10.818 -4.110 -6.576 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.777 -4.361 -4.107 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.378 -4.749 -4.780 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.107 -3.185 -3.976 1.00 0.11 H new ATOM 1178 N ILE A 104 10.686 -1.090 -5.318 1.00 0.10 N ATOM 1179 CA ILE A 104 9.839 0.032 -4.971 1.00 0.11 C ATOM 1180 C ILE A 104 9.250 0.680 -6.214 1.00 0.12 C ATOM 1181 O ILE A 104 8.095 1.101 -6.220 1.00 0.13 O ATOM 1182 CB ILE A 104 10.645 1.043 -4.145 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.912 0.448 -2.780 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.953 2.384 -4.000 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.428 1.454 -1.801 1.00 0.17 C ATOM 0 H ILE A 104 11.684 -0.889 -5.258 1.00 0.10 H new ATOM 0 HA ILE A 104 9.003 -0.327 -4.371 1.00 0.11 H new ATOM 0 HB ILE A 104 11.577 1.237 -4.677 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.992 0.010 -2.393 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.635 -0.362 -2.877 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.576 3.052 -3.405 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.793 2.819 -4.986 1.00 0.15 H new ATOM 0 HG23 ILE A 104 8.992 2.246 -3.504 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.601 0.970 -0.840 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.364 1.874 -2.170 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.695 2.252 -1.679 1.00 0.17 H new ATOM 1197 N ASP A 105 10.041 0.728 -7.274 1.00 0.13 N ATOM 1198 CA ASP A 105 9.551 1.196 -8.565 1.00 0.16 C ATOM 1199 C ASP A 105 8.465 0.254 -9.051 1.00 0.14 C ATOM 1200 O ASP A 105 7.431 0.674 -9.576 1.00 0.17 O ATOM 1201 CB ASP A 105 10.684 1.243 -9.579 1.00 0.21 C ATOM 1202 CG ASP A 105 10.316 2.025 -10.827 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.188 3.265 -10.741 1.00 0.53 O ATOM 1204 OD2 ASP A 105 10.167 1.405 -11.902 1.00 0.44 O ATOM 0 H ASP A 105 11.022 0.450 -7.268 1.00 0.13 H new ATOM 0 HA ASP A 105 9.147 2.202 -8.453 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.562 1.695 -9.117 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.959 0.226 -9.859 1.00 0.21 H new ATOM 1209 N LYS A 106 8.723 -1.032 -8.849 1.00 0.13 N ATOM 1210 CA LYS A 106 7.742 -2.078 -9.107 1.00 0.13 C ATOM 1211 C LYS A 106 6.478 -1.838 -8.278 1.00 0.12 C ATOM 1212 O LYS A 106 5.371 -1.804 -8.812 1.00 0.14 O ATOM 1213 CB LYS A 106 8.328 -3.451 -8.752 1.00 0.14 C ATOM 1214 CG LYS A 106 9.453 -3.910 -9.657 1.00 0.16 C ATOM 1215 CD LYS A 106 10.286 -5.007 -9.002 1.00 0.18 C ATOM 1216 CE LYS A 106 11.209 -5.686 -10.002 1.00 0.22 C ATOM 1217 NZ LYS A 106 12.127 -6.663 -9.358 1.00 0.29 N ATOM 0 H LYS A 106 9.617 -1.379 -8.502 1.00 0.13 H new ATOM 0 HA LYS A 106 7.486 -2.056 -10.166 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.694 -3.421 -7.726 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.529 -4.192 -8.784 1.00 0.14 H new ATOM 0 HG2 LYS A 106 9.039 -4.278 -10.596 1.00 0.16 H new ATOM 0 HG3 LYS A 106 10.093 -3.063 -9.901 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.878 -4.580 -8.192 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.624 -5.749 -8.556 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.610 -6.197 -10.755 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.796 -4.929 -10.522 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 13.102 -6.303 -9.399 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 11.849 -6.798 -8.365 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 12.073 -7.573 -9.859 1.00 0.29 H new ATOM 1231 N LEU A 107 6.663 -1.633 -6.976 1.00 0.10 N ATOM 1232 CA LEU A 107 5.552 -1.428 -6.052 1.00 0.11 C ATOM 1233 C LEU A 107 4.746 -0.182 -6.414 1.00 0.10 C ATOM 1234 O LEU A 107 3.521 -0.236 -6.481 1.00 0.11 O ATOM 1235 CB LEU A 107 6.093 -1.351 -4.604 1.00 0.13 C ATOM 1236 CG LEU A 107 5.758 -0.087 -3.801 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.340 -0.129 -3.264 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.752 0.094 -2.669 1.00 0.15 C ATOM 0 H LEU A 107 7.582 -1.604 -6.534 1.00 0.10 H new ATOM 0 HA LEU A 107 4.871 -2.275 -6.129 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.713 -2.212 -4.054 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.178 -1.451 -4.642 1.00 0.13 H new ATOM 0 HG LEU A 107 5.830 0.767 -4.474 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.137 0.782 -2.701 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.638 -0.206 -4.095 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.224 -0.993 -2.610 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.503 0.994 -2.107 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.710 -0.771 -2.006 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.757 0.189 -3.079 1.00 0.15 H new ATOM 1250 N PHE A 108 5.426 0.920 -6.677 1.00 0.10 N ATOM 1251 CA PHE A 108 4.744 2.178 -6.964 1.00 0.11 C ATOM 1252 C PHE A 108 4.010 2.150 -8.304 1.00 0.12 C ATOM 1253 O PHE A 108 2.950 2.761 -8.447 1.00 0.14 O ATOM 1254 CB PHE A 108 5.716 3.356 -6.889 1.00 0.12 C ATOM 1255 CG PHE A 108 5.979 3.814 -5.477 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.061 3.571 -4.466 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.152 4.486 -5.160 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.312 3.988 -3.171 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.404 4.905 -3.871 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.440 4.664 -2.869 1.00 0.14 C ATOM 0 H PHE A 108 6.444 0.974 -6.699 1.00 0.10 H new ATOM 0 HA PHE A 108 3.984 2.312 -6.194 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.660 3.071 -7.354 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.314 4.189 -7.466 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.142 3.051 -4.692 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.878 4.683 -5.935 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.596 3.770 -2.392 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.327 5.411 -3.631 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.605 5.020 -1.863 1.00 0.14 H new ATOM 1270 N SER A 109 4.552 1.434 -9.281 1.00 0.13 N ATOM 1271 CA SER A 109 3.865 1.268 -10.554 1.00 0.14 C ATOM 1272 C SER A 109 2.609 0.412 -10.383 1.00 0.14 C ATOM 1273 O SER A 109 1.644 0.553 -11.135 1.00 0.16 O ATOM 1274 CB SER A 109 4.804 0.645 -11.588 1.00 0.17 C ATOM 1275 OG SER A 109 5.246 -0.640 -11.183 1.00 1.14 O ATOM 0 H SER A 109 5.455 0.964 -9.218 1.00 0.13 H new ATOM 0 HA SER A 109 3.560 2.251 -10.911 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.291 0.569 -12.547 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.665 1.296 -11.738 1.00 0.17 H new ATOM 0 HG SER A 109 5.104 -0.746 -10.219 1.00 1.14 H new ATOM 1281 N MET A 110 2.626 -0.465 -9.379 1.00 0.13 N ATOM 1282 CA MET A 110 1.503 -1.361 -9.116 1.00 0.14 C ATOM 1283 C MET A 110 0.236 -0.590 -8.810 1.00 0.14 C ATOM 1284 O MET A 110 -0.803 -0.833 -9.424 1.00 0.16 O ATOM 1285 CB MET A 110 1.792 -2.266 -7.930 1.00 0.13 C ATOM 1286 CG MET A 110 2.865 -3.300 -8.153 1.00 0.17 C ATOM 1287 SD MET A 110 2.889 -4.487 -6.806 1.00 0.23 S ATOM 1288 CE MET A 110 2.467 -3.416 -5.441 1.00 0.14 C ATOM 0 H MET A 110 3.408 -0.573 -8.733 1.00 0.13 H new ATOM 0 HA MET A 110 1.365 -1.955 -10.020 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.080 -1.645 -7.082 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.871 -2.777 -7.652 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.689 -3.816 -9.097 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.837 -2.812 -8.232 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.507 -3.981 -4.510 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.175 -2.589 -5.395 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.460 -3.024 -5.584 1.00 0.14 H new ATOM 1298 N LEU A 111 0.320 0.338 -7.852 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.852 1.102 -7.442 1.00 0.15 C ATOM 1300 C LEU A 111 -1.397 1.841 -8.642 1.00 0.17 C ATOM 1301 O LEU A 111 -2.597 1.914 -8.857 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.547 2.144 -6.350 1.00 0.17 C ATOM 1303 CG LEU A 111 0.355 1.725 -5.181 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.167 0.261 -4.813 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.808 2.043 -5.489 1.00 0.15 C ATOM 0 H LEU A 111 1.178 0.573 -7.354 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.566 0.387 -7.034 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.088 3.007 -6.832 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.497 2.479 -5.934 1.00 0.17 H new ATOM 0 HG LEU A 111 0.058 2.305 -4.307 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.825 0.008 -3.981 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.869 0.089 -4.522 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.411 -0.364 -5.672 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.433 1.739 -4.649 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.117 1.504 -6.385 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.919 3.115 -5.655 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.478 2.352 -9.443 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.816 3.175 -10.584 1.00 0.22 C ATOM 1319 C LYS A 112 -1.507 2.358 -11.662 1.00 0.21 C ATOM 1320 O LYS A 112 -2.270 2.894 -12.467 1.00 0.24 O ATOM 1321 CB LYS A 112 0.447 3.808 -11.146 1.00 0.29 C ATOM 1322 CG LYS A 112 1.101 4.798 -10.204 1.00 0.36 C ATOM 1323 CD LYS A 112 2.317 5.425 -10.844 1.00 0.47 C ATOM 1324 CE LYS A 112 2.981 6.406 -9.904 1.00 1.22 C ATOM 1325 NZ LYS A 112 4.289 6.886 -10.429 1.00 1.82 N ATOM 0 H LYS A 112 0.524 2.206 -9.318 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.504 3.954 -10.256 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.162 3.021 -11.386 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.205 4.314 -12.080 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.386 5.575 -9.932 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.389 4.293 -9.282 1.00 0.36 H new ATOM 0 HD2 LYS A 112 3.027 4.647 -11.123 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.026 5.936 -11.762 1.00 0.47 H new ATOM 0 HE2 LYS A 112 2.320 7.258 -9.744 1.00 1.22 H new ATOM 0 HE3 LYS A 112 3.132 5.933 -8.934 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 4.709 7.556 -9.754 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 4.929 6.077 -10.558 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 4.143 7.361 -11.343 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.239 1.058 -11.678 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.859 0.181 -12.644 1.00 0.22 C ATOM 1341 C ASP A 113 -3.175 -0.317 -12.086 1.00 0.21 C ATOM 1342 O ASP A 113 -4.045 -0.812 -12.804 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.930 -0.983 -12.920 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.313 -1.737 -14.176 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.527 -1.088 -15.218 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.390 -2.979 -14.131 1.00 0.46 O ATOM 0 H ASP A 113 -0.598 0.596 -11.033 1.00 0.20 H new ATOM 0 HA ASP A 113 -2.048 0.715 -13.575 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.091 -0.615 -13.017 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.944 -1.666 -12.070 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.285 -0.174 -10.780 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.492 -0.517 -10.073 1.00 0.17 C ATOM 1353 C GLY A 114 -4.283 -1.697 -9.155 1.00 0.15 C ATOM 1354 O GLY A 114 -4.387 -2.847 -9.580 1.00 0.18 O ATOM 0 H GLY A 114 -2.538 0.183 -10.184 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.830 0.341 -9.492 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.281 -0.748 -10.789 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.978 -1.418 -7.898 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.782 -2.456 -6.918 1.00 0.12 C ATOM 1360 C VAL A 115 -5.024 -2.545 -6.043 1.00 0.12 C ATOM 1361 O VAL A 115 -5.508 -1.542 -5.531 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.508 -2.199 -6.067 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.813 -2.126 -4.587 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.451 -3.248 -6.358 1.00 0.14 C ATOM 0 H VAL A 115 -3.862 -0.471 -7.537 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.630 -3.408 -7.427 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.116 -1.224 -6.355 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.891 -1.945 -4.034 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.514 -1.313 -4.400 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.254 -3.068 -4.259 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.566 -3.051 -5.752 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.843 -4.236 -6.117 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.183 -3.212 -7.414 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.573 -3.727 -5.916 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.748 -3.910 -5.103 1.00 0.13 C ATOM 1376 C VAL A 116 -6.374 -4.495 -3.753 1.00 0.10 C ATOM 1377 O VAL A 116 -5.640 -5.478 -3.663 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.801 -4.794 -5.803 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.206 -6.111 -6.249 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -9.008 -5.015 -4.902 1.00 0.23 C ATOM 0 H VAL A 116 -5.226 -4.575 -6.364 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.196 -2.928 -4.951 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.138 -4.267 -6.696 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.974 -6.710 -6.738 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.391 -5.924 -6.948 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.823 -6.650 -5.382 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.737 -5.641 -5.417 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.691 -5.508 -3.983 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.462 -4.054 -4.660 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.847 -3.846 -2.711 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.643 -4.312 -1.356 1.00 0.11 C ATOM 1392 C LEU A 117 -7.617 -5.453 -1.089 1.00 0.12 C ATOM 1393 O LEU A 117 -8.822 -5.247 -1.123 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.857 -3.150 -0.379 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.717 -2.113 -0.288 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.746 -2.205 -1.456 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.298 -0.711 -0.205 1.00 0.24 C ATOM 0 H LEU A 117 -7.383 -2.981 -2.779 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.626 -4.678 -1.219 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.771 -2.629 -0.662 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.022 -3.565 0.615 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.151 -2.336 0.617 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -3.965 -1.453 -1.340 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.294 -3.197 -1.476 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.282 -2.031 -2.389 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.488 0.015 -0.141 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.895 -0.511 -1.095 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.928 -0.630 0.681 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.078 -6.654 -0.855 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.859 -7.891 -0.757 1.00 0.18 C ATOM 1411 C LYS A 118 -6.942 -9.087 -0.977 1.00 0.22 C ATOM 1412 O LYS A 118 -5.958 -8.999 -1.710 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.006 -7.959 -1.790 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.378 -7.591 -1.225 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.494 -7.801 -2.236 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.465 -6.766 -3.344 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.285 -7.189 -4.510 1.00 0.80 N ATOM 0 H LYS A 118 -6.076 -6.796 -0.727 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.303 -7.907 0.238 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.775 -7.289 -2.618 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.052 -8.968 -2.199 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.576 -8.193 -0.338 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.370 -6.548 -0.908 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.407 -8.797 -2.669 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.457 -7.758 -1.726 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.836 -5.814 -2.964 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.436 -6.602 -3.663 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.242 -6.458 -5.248 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -11.915 -8.084 -4.888 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.272 -7.321 -4.211 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.264 -10.195 -0.340 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.525 -11.417 -0.553 1.00 0.38 C ATOM 1433 C GLY A 119 -7.443 -12.616 -0.573 1.00 0.53 C ATOM 1434 O GLY A 119 -8.620 -12.491 -0.917 1.00 0.85 O ATOM 0 H GLY A 119 -8.031 -10.272 0.328 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -5.982 -11.356 -1.496 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.782 -11.538 0.236 1.00 0.38 H new ATOM 1519 N THR A 125 -6.144 -7.500 8.106 1.00 0.54 N ATOM 1520 CA THR A 125 -4.942 -7.068 7.414 1.00 0.40 C ATOM 1521 C THR A 125 -5.244 -6.711 5.955 1.00 0.29 C ATOM 1522 O THR A 125 -6.163 -7.266 5.344 1.00 0.34 O ATOM 1523 CB THR A 125 -3.858 -8.166 7.482 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.605 -8.516 8.850 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.570 -7.699 6.837 1.00 0.37 C ATOM 0 HA THR A 125 -4.570 -6.173 7.913 1.00 0.40 H new ATOM 0 HB THR A 125 -4.223 -9.037 6.938 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.452 -8.541 9.343 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.824 -8.491 6.899 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.755 -7.455 5.791 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.203 -6.814 7.356 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.472 -5.775 5.406 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.674 -5.309 4.042 1.00 0.15 C ATOM 1535 C ILE A 126 -3.671 -5.975 3.106 1.00 0.14 C ATOM 1536 O ILE A 126 -2.491 -6.068 3.426 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.514 -3.777 3.943 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.153 -3.101 5.168 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.156 -3.278 2.661 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.156 -1.583 5.126 1.00 0.16 C ATOM 0 H ILE A 126 -3.697 -5.324 5.892 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.690 -5.575 3.749 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.454 -3.524 3.925 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.181 -3.450 5.263 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.622 -3.425 6.063 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.041 -2.196 2.594 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.672 -3.748 1.805 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.216 -3.531 2.663 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.626 -1.195 6.030 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.131 -1.219 5.065 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.714 -1.244 4.253 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.131 -6.431 1.952 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.253 -7.121 1.014 1.00 0.12 C ATOM 1554 C LEU A 127 -3.300 -6.440 -0.345 1.00 0.11 C ATOM 1555 O LEU A 127 -4.351 -5.981 -0.776 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.639 -8.600 0.897 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.805 -9.327 2.229 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.287 -10.752 2.013 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.494 -9.311 2.987 1.00 0.20 C ATOM 0 H LEU A 127 -5.098 -6.338 1.642 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.232 -7.070 1.391 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.573 -8.674 0.340 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.877 -9.114 0.311 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.560 -8.809 2.820 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.397 -11.249 2.977 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.249 -10.737 1.500 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.561 -11.294 1.407 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.617 -9.831 3.937 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.726 -9.811 2.396 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.194 -8.280 3.174 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.155 -6.370 -1.000 1.00 0.11 N ATOM 1572 CA ILE A 128 -2.011 -5.614 -2.247 1.00 0.11 C ATOM 1573 C ILE A 128 -1.971 -6.535 -3.473 1.00 0.13 C ATOM 1574 O ILE A 128 -1.031 -7.319 -3.647 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.736 -4.739 -2.208 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.870 -3.647 -1.147 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.445 -4.132 -3.565 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.324 -2.721 -1.072 1.00 0.12 C ATOM 0 H ILE A 128 -1.299 -6.830 -0.691 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.887 -4.972 -2.337 1.00 0.11 H new ATOM 0 HB ILE A 128 0.104 -5.381 -1.943 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.763 -3.058 -1.356 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.017 -4.115 -0.174 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.457 -3.523 -3.505 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.298 -4.928 -4.295 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.285 -3.508 -3.872 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.156 -1.973 -0.297 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.217 -3.298 -0.832 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.460 -2.224 -2.033 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.979 -6.407 -4.335 1.00 0.15 N ATOM 1591 CA GLU A 129 -3.136 -7.277 -5.491 1.00 0.19 C ATOM 1592 C GLU A 129 -3.191 -6.464 -6.782 1.00 0.17 C ATOM 1593 O GLU A 129 -3.894 -5.464 -6.859 1.00 0.19 O ATOM 1594 CB GLU A 129 -4.437 -8.078 -5.350 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.657 -9.095 -6.458 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.546 -8.617 -7.595 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -6.774 -8.813 -7.516 1.00 0.71 O ATOM 1598 OE2 GLU A 129 -5.024 -8.064 -8.586 1.00 1.62 O ATOM 0 H GLU A 129 -3.707 -5.697 -4.249 1.00 0.15 H new ATOM 0 HA GLU A 129 -2.279 -7.949 -5.536 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -4.431 -8.596 -4.391 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -5.279 -7.386 -5.333 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -3.688 -9.380 -6.868 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -5.096 -9.994 -6.025 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.463 -6.902 -7.792 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.619 -6.364 -9.137 1.00 0.21 C ATOM 1607 C LYS A 130 -2.101 -7.387 -10.134 1.00 0.29 C ATOM 1608 O LYS A 130 -1.232 -8.188 -9.799 1.00 0.31 O ATOM 1609 CB LYS A 130 -1.991 -4.954 -9.313 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.467 -4.842 -9.267 1.00 0.19 C ATOM 1611 CD LYS A 130 0.179 -5.206 -10.589 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.063 -4.116 -11.609 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.462 -4.469 -12.954 1.00 0.39 N ATOM 0 H LYS A 130 -1.755 -7.631 -7.709 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.679 -6.196 -9.328 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.328 -4.554 -10.270 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.398 -4.307 -8.536 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.188 -3.823 -8.998 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.081 -5.495 -8.485 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.250 -5.352 -10.450 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.227 -6.150 -10.952 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.133 -3.920 -11.680 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.408 -3.194 -11.269 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.395 -3.642 -13.581 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.457 -4.762 -12.873 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 -0.097 -5.251 -13.351 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.681 -7.389 -11.330 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.436 -8.431 -12.338 1.00 0.49 C ATOM 1629 C ASP A 131 -3.121 -9.736 -11.939 1.00 0.47 C ATOM 1630 O ASP A 131 -2.881 -10.782 -12.542 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.935 -8.693 -12.577 1.00 0.55 C ATOM 1632 CG ASP A 131 -0.218 -7.541 -13.253 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -0.898 -6.613 -13.745 1.00 1.13 O ATOM 1634 OD2 ASP A 131 1.026 -7.554 -13.307 1.00 1.03 O ATOM 0 H ASP A 131 -3.337 -6.669 -11.634 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.858 -8.059 -13.272 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.454 -8.899 -11.621 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.824 -9.588 -13.189 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.966 -9.677 -10.915 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.722 -10.845 -10.512 1.00 0.51 C ATOM 1641 C GLY A 132 -4.034 -11.632 -9.418 1.00 0.45 C ATOM 1642 O GLY A 132 -4.493 -12.708 -9.036 1.00 0.52 O ATOM 0 H GLY A 132 -4.140 -8.840 -10.358 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.708 -10.534 -10.166 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.876 -11.490 -11.377 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.928 -11.104 -8.913 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.183 -11.768 -7.857 1.00 0.45 C ATOM 1648 C GLU A 133 -1.763 -10.766 -6.800 1.00 0.33 C ATOM 1649 O GLU A 133 -1.585 -9.578 -7.083 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.931 -12.465 -8.389 1.00 0.54 C ATOM 1651 CG GLU A 133 0.266 -11.537 -8.487 1.00 0.56 C ATOM 1652 CD GLU A 133 1.525 -12.220 -8.968 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.859 -13.306 -8.447 1.00 1.31 O ATOM 1654 OE2 GLU A 133 2.216 -11.644 -9.832 1.00 1.24 O ATOM 0 H GLU A 133 -2.528 -10.217 -9.219 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.846 -12.520 -7.428 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.683 -13.302 -7.737 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -1.144 -12.881 -9.374 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.025 -10.718 -9.165 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.454 -11.096 -7.508 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.620 -11.246 -5.586 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.107 -10.420 -4.511 1.00 0.24 C ATOM 1663 C VAL A 134 0.414 -10.469 -4.539 1.00 0.22 C ATOM 1664 O VAL A 134 1.021 -11.541 -4.561 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.636 -10.842 -3.120 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.332 -12.289 -2.853 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.073 -9.954 -2.022 1.00 0.21 C ATOM 0 H VAL A 134 -1.850 -12.202 -5.316 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.460 -9.402 -4.673 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.719 -10.716 -3.121 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.712 -12.565 -1.870 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.809 -12.907 -3.613 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.254 -12.446 -2.882 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.464 -10.277 -1.057 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.014 -10.028 -2.016 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.365 -8.920 -2.205 1.00 0.21 H new ATOM 1677 N LYS A 135 1.025 -9.310 -4.597 1.00 0.19 N ATOM 1678 CA LYS A 135 2.471 -9.223 -4.666 1.00 0.21 C ATOM 1679 C LYS A 135 3.003 -8.345 -3.550 1.00 0.17 C ATOM 1680 O LYS A 135 4.211 -8.246 -3.346 1.00 0.18 O ATOM 1681 CB LYS A 135 2.911 -8.685 -6.031 1.00 0.29 C ATOM 1682 CG LYS A 135 2.067 -7.528 -6.525 1.00 0.34 C ATOM 1683 CD LYS A 135 1.045 -7.979 -7.555 1.00 0.29 C ATOM 1684 CE LYS A 135 1.603 -7.927 -8.973 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.689 -8.918 -9.217 1.00 1.03 N ATOM 0 H LYS A 135 0.545 -8.410 -4.598 1.00 0.19 H new ATOM 0 HA LYS A 135 2.884 -10.224 -4.542 1.00 0.21 H new ATOM 0 HB2 LYS A 135 3.951 -8.365 -5.968 1.00 0.29 H new ATOM 0 HB3 LYS A 135 2.869 -9.493 -6.762 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.554 -7.065 -5.682 1.00 0.34 H new ATOM 0 HG3 LYS A 135 2.713 -6.767 -6.962 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.726 -8.996 -7.328 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.160 -7.345 -7.490 1.00 0.29 H new ATOM 0 HE2 LYS A 135 0.793 -8.104 -9.681 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.984 -6.925 -9.169 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 3.013 -8.843 -10.202 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.485 -8.726 -8.575 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 2.328 -9.878 -9.044 1.00 1.03 H new ATOM 1699 N LEU A 136 2.087 -7.740 -2.813 1.00 0.14 N ATOM 1700 CA LEU A 136 2.436 -6.851 -1.730 1.00 0.14 C ATOM 1701 C LEU A 136 1.352 -6.924 -0.658 1.00 0.14 C ATOM 1702 O LEU A 136 0.263 -7.418 -0.920 1.00 0.14 O ATOM 1703 CB LEU A 136 2.542 -5.430 -2.269 1.00 0.14 C ATOM 1704 CG LEU A 136 3.651 -4.568 -1.684 1.00 0.13 C ATOM 1705 CD1 LEU A 136 5.025 -5.184 -1.928 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.568 -3.186 -2.294 1.00 0.14 C ATOM 0 H LEU A 136 1.083 -7.854 -2.952 1.00 0.14 H new ATOM 0 HA LEU A 136 3.392 -7.143 -1.295 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.683 -5.483 -3.348 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.591 -4.927 -2.097 1.00 0.14 H new ATOM 0 HG LEU A 136 3.518 -4.503 -0.604 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.793 -4.542 -1.497 1.00 0.16 H new ATOM 0 HD12 LEU A 136 5.071 -6.168 -1.461 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.194 -5.283 -3.000 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.358 -2.558 -1.882 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.688 -3.258 -3.375 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.598 -2.745 -2.065 1.00 0.14 H new ATOM 1718 N LYS A 137 1.652 -6.477 0.551 1.00 0.17 N ATOM 1719 CA LYS A 137 0.648 -6.406 1.609 1.00 0.20 C ATOM 1720 C LYS A 137 0.894 -5.203 2.497 1.00 0.18 C ATOM 1721 O LYS A 137 1.981 -4.632 2.494 1.00 0.22 O ATOM 1722 CB LYS A 137 0.666 -7.649 2.504 1.00 0.31 C ATOM 1723 CG LYS A 137 1.014 -8.942 1.797 1.00 0.35 C ATOM 1724 CD LYS A 137 0.726 -10.140 2.673 1.00 0.28 C ATOM 1725 CE LYS A 137 1.442 -10.031 4.011 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.520 -11.340 4.703 1.00 0.76 N ATOM 0 H LYS A 137 2.580 -6.157 0.827 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.318 -6.332 1.109 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.383 -7.488 3.309 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.314 -7.759 2.968 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.442 -9.019 0.872 1.00 0.35 H new ATOM 0 HG3 LYS A 137 2.068 -8.936 1.520 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.348 -10.222 2.839 1.00 0.28 H new ATOM 0 HD3 LYS A 137 1.041 -11.050 2.163 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.448 -9.643 3.854 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.919 -9.315 4.645 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.015 -11.224 5.610 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 0.559 -11.699 4.876 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 2.041 -12.016 4.109 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.128 -4.820 3.242 1.00 0.18 N ATOM 1741 CA LEU A 138 0.027 -3.871 4.326 1.00 0.20 C ATOM 1742 C LEU A 138 -0.107 -4.626 5.634 1.00 0.21 C ATOM 1743 O LEU A 138 -1.157 -5.200 5.909 1.00 0.22 O ATOM 1744 CB LEU A 138 -0.997 -2.728 4.252 1.00 0.19 C ATOM 1745 CG LEU A 138 -0.968 -1.847 2.990 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.458 -1.561 2.517 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.789 -2.472 1.877 1.00 0.17 C ATOM 0 H LEU A 138 -1.082 -5.157 3.113 1.00 0.18 H new ATOM 0 HA LEU A 138 1.009 -3.405 4.250 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -1.994 -3.159 4.342 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.849 -2.084 5.119 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.415 -0.890 3.258 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.427 -0.936 1.624 1.00 0.21 H new ATOM 0 HD12 LEU A 138 1.005 -1.042 3.304 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.960 -2.500 2.285 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.754 -1.832 0.995 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.381 -3.452 1.630 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.823 -2.581 2.205 1.00 0.17 H new ATOM 1759 N ILE A 139 0.981 -4.624 6.409 1.00 0.27 N ATOM 1760 CA ILE A 139 1.125 -5.396 7.639 1.00 0.30 C ATOM 1761 C ILE A 139 1.535 -6.831 7.323 1.00 0.37 C ATOM 1762 O ILE A 139 1.130 -7.398 6.306 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.144 -5.447 8.499 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.804 -4.083 8.649 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.224 -5.982 9.852 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.242 -4.201 9.060 1.00 0.41 C ATOM 0 H ILE A 139 1.808 -4.068 6.189 1.00 0.27 H new ATOM 0 HA ILE A 139 1.893 -4.876 8.211 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.867 -6.094 8.002 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.261 -3.496 9.390 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.739 -3.542 7.705 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.666 -6.026 10.480 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.643 -6.982 9.746 1.00 0.35 H new ATOM 0 HG23 ILE A 139 0.962 -5.326 10.314 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.676 -3.206 9.156 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.791 -4.765 8.306 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.306 -4.718 10.017 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.217 -7.150 2.866 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.598 -8.245 2.138 1.00 0.33 C ATOM 1849 C GLU B 554 -13.406 -8.769 2.939 1.00 0.35 C ATOM 1850 O GLU B 554 -13.179 -8.311 4.057 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.183 -7.732 0.757 1.00 0.32 C ATOM 1852 CG GLU B 554 -13.943 -8.809 -0.282 1.00 0.29 C ATOM 1853 CD GLU B 554 -14.960 -9.930 -0.229 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -14.740 -10.894 0.538 1.00 0.63 O ATOM 1855 OE2 GLU B 554 -15.969 -9.857 -0.953 1.00 0.65 O ATOM 0 HA GLU B 554 -15.293 -9.074 2.002 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -14.957 -7.059 0.388 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.273 -7.142 0.864 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.961 -8.358 -1.274 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -12.946 -9.225 -0.140 1.00 0.29 H new ATOM 1862 N THR B 555 -12.672 -9.720 2.372 1.00 0.33 N ATOM 1863 CA THR B 555 -11.476 -10.290 2.988 1.00 0.35 C ATOM 1864 C THR B 555 -10.552 -9.166 3.479 1.00 0.34 C ATOM 1865 O THR B 555 -9.934 -9.248 4.536 1.00 0.45 O ATOM 1866 CB THR B 555 -10.782 -11.212 1.952 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.710 -11.959 2.530 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.274 -10.408 0.770 1.00 0.30 C ATOM 0 H THR B 555 -12.892 -10.123 1.461 1.00 0.33 H new ATOM 0 HA THR B 555 -11.737 -10.888 3.861 1.00 0.35 H new ATOM 0 HB THR B 555 -11.534 -11.921 1.606 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.301 -12.528 1.845 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.791 -11.076 0.056 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.111 -9.904 0.286 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.555 -9.666 1.117 1.00 0.30 H new ATOM 1876 N THR B 556 -10.509 -8.098 2.707 1.00 0.26 N ATOM 1877 CA THR B 556 -9.887 -6.861 3.126 1.00 0.23 C ATOM 1878 C THR B 556 -10.747 -5.711 2.651 1.00 0.21 C ATOM 1879 O THR B 556 -11.149 -4.843 3.424 1.00 0.22 O ATOM 1880 CB THR B 556 -8.483 -6.686 2.533 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.616 -7.743 2.951 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.910 -5.349 2.951 1.00 0.20 C ATOM 0 H THR B 556 -10.906 -8.065 1.768 1.00 0.26 H new ATOM 0 HA THR B 556 -9.796 -6.882 4.212 1.00 0.23 H new ATOM 0 HB THR B 556 -8.563 -6.720 1.446 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.173 -7.491 3.788 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.913 -5.232 2.526 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.555 -4.548 2.590 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.849 -5.303 4.038 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.031 -5.759 1.352 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.841 -4.775 0.667 1.00 0.19 C ATOM 1892 C LEU B 557 -11.062 -3.492 0.459 1.00 0.17 C ATOM 1893 O LEU B 557 -9.842 -3.530 0.415 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.141 -4.500 1.411 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.366 -4.438 0.517 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.146 -3.189 0.836 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.967 -4.503 -0.956 1.00 0.20 C ATOM 0 H LEU B 557 -10.694 -6.502 0.740 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.102 -5.186 -0.308 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.290 -5.278 2.160 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.047 -3.555 1.947 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.004 -5.301 0.706 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.028 -3.138 0.197 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.455 -3.210 1.881 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.520 -2.314 0.661 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.861 -4.457 -1.578 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.316 -3.662 -1.194 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.439 -5.437 -1.149 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.790 -2.377 0.353 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.221 -1.057 0.064 1.00 0.18 C ATOM 1911 C LEU B 558 -11.184 -0.841 -1.438 1.00 0.19 C ATOM 1912 O LEU B 558 -10.133 -0.628 -2.040 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.828 -0.855 0.698 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.797 -0.655 2.223 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.707 -1.631 2.934 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.382 -0.807 2.744 1.00 0.16 C ATOM 0 H LEU B 558 -12.804 -2.365 0.467 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.866 -0.306 0.521 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.212 -1.720 0.454 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.361 0.011 0.230 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.156 0.354 2.427 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.657 -1.458 4.009 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.732 -1.489 2.591 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.389 -2.650 2.716 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.375 -0.663 3.824 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.013 -1.805 2.508 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.739 -0.062 2.274 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.368 -0.904 -2.024 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.535 -0.729 -3.461 1.00 0.21 C ATOM 1930 C GLU B 559 -13.076 0.656 -3.758 1.00 0.24 C ATOM 1931 O GLU B 559 -13.049 1.132 -4.894 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.475 -1.795 -4.020 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.860 -3.175 -4.099 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.798 -4.180 -4.732 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.665 -4.722 -4.020 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -13.674 -4.432 -5.946 1.00 0.38 O ATOM 0 H GLU B 559 -13.239 -1.077 -1.521 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.563 -0.837 -3.942 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.368 -1.841 -3.396 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.798 -1.494 -5.017 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.937 -3.128 -4.676 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.592 -3.510 -3.097 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.561 1.284 -2.713 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.057 2.646 -2.776 1.00 0.31 C ATOM 1945 C ASP B 560 -13.480 3.396 -1.605 1.00 0.25 C ATOM 1946 O ASP B 560 -13.130 2.772 -0.608 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.589 2.709 -2.695 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.286 1.873 -3.747 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.547 2.397 -4.847 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.570 0.685 -3.481 1.00 0.95 O ATOM 0 H ASP B 560 -13.625 0.864 -1.786 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.759 3.082 -3.730 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.906 2.374 -1.708 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -15.908 3.746 -2.797 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.378 4.707 -1.696 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.862 5.480 -0.582 1.00 0.26 C ATOM 1957 C GLU B 561 -13.726 5.238 0.653 1.00 0.26 C ATOM 1958 O GLU B 561 -13.217 4.991 1.743 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.820 6.970 -0.919 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.223 7.810 0.194 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.306 9.297 -0.075 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -13.422 9.847 -0.050 1.00 0.68 O ATOM 1963 OE2 GLU B 561 -11.255 9.922 -0.312 1.00 0.69 O ATOM 0 H GLU B 561 -13.641 5.254 -2.516 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.842 5.156 -0.377 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.238 7.115 -1.829 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.831 7.319 -1.128 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.740 7.586 1.127 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.179 7.530 0.333 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.037 5.262 0.448 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.012 5.052 1.516 1.00 0.39 C ATOM 1972 C LYS B 562 -15.702 3.803 2.338 1.00 0.34 C ATOM 1973 O LYS B 562 -15.686 3.854 3.563 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.407 4.907 0.908 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.528 4.871 1.938 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.906 4.718 1.297 1.00 1.73 C ATOM 1977 CE LYS B 562 -20.127 3.328 0.709 1.00 2.39 C ATOM 1978 NZ LYS B 562 -19.534 3.174 -0.647 1.00 3.03 N ATOM 0 H LYS B 562 -15.458 5.428 -0.466 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.964 5.916 2.179 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.582 5.737 0.223 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.441 3.993 0.316 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -18.357 4.044 2.627 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.505 5.787 2.528 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -20.674 4.919 2.043 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -20.022 5.464 0.511 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -19.694 2.583 1.377 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -21.197 3.126 0.658 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -20.245 2.775 -1.293 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -19.228 4.103 -1.000 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -18.715 2.536 -0.597 1.00 3.03 H new ATOM 1992 N SER B 563 -15.414 2.703 1.661 1.00 0.27 N ATOM 1993 CA SER B 563 -15.171 1.434 2.332 1.00 0.24 C ATOM 1994 C SER B 563 -13.712 1.308 2.749 1.00 0.21 C ATOM 1995 O SER B 563 -13.362 0.513 3.617 1.00 0.20 O ATOM 1996 CB SER B 563 -15.574 0.278 1.418 1.00 0.27 C ATOM 1997 OG SER B 563 -15.026 0.438 0.117 1.00 0.91 O ATOM 0 H SER B 563 -15.342 2.662 0.644 1.00 0.27 H new ATOM 0 HA SER B 563 -15.778 1.397 3.236 1.00 0.24 H new ATOM 0 HB2 SER B 563 -15.232 -0.664 1.846 1.00 0.27 H new ATOM 0 HB3 SER B 563 -16.661 0.223 1.354 1.00 0.27 H new ATOM 0 HG SER B 563 -15.298 -0.316 -0.447 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.879 2.124 2.133 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.456 2.088 2.363 1.00 0.19 C ATOM 2005 C LEU B 564 -11.173 2.805 3.663 1.00 0.21 C ATOM 2006 O LEU B 564 -10.495 2.292 4.546 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.724 2.773 1.213 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.261 2.361 1.003 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.683 3.107 -0.168 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.399 2.641 2.208 1.00 0.18 C ATOM 0 H LEU B 564 -13.175 2.830 1.459 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.108 1.057 2.421 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.272 2.575 0.292 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.757 3.850 1.378 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.264 1.286 0.825 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.644 2.810 -0.312 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.255 2.874 -1.066 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.731 4.179 0.024 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.375 2.330 2.003 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.417 3.708 2.428 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.782 2.088 3.066 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.736 3.994 3.783 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.567 4.782 4.981 1.00 0.26 C ATOM 2024 C VAL B 565 -12.385 4.195 6.098 1.00 0.28 C ATOM 2025 O VAL B 565 -11.974 4.250 7.234 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.940 6.260 4.766 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.468 6.685 3.405 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.434 6.514 4.916 1.00 0.30 C ATOM 0 H VAL B 565 -12.313 4.431 3.064 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.510 4.754 5.246 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.449 6.851 5.539 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.727 7.731 3.240 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.387 6.564 3.341 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.948 6.069 2.645 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.641 7.572 4.754 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.979 5.921 4.182 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.752 6.231 5.919 1.00 0.30 H new ATOM 2038 N SER B 566 -13.524 3.599 5.761 1.00 0.28 N ATOM 2039 CA SER B 566 -14.354 2.917 6.747 1.00 0.30 C ATOM 2040 C SER B 566 -13.573 1.762 7.354 1.00 0.30 C ATOM 2041 O SER B 566 -13.862 1.293 8.452 1.00 0.35 O ATOM 2042 CB SER B 566 -15.633 2.407 6.087 1.00 0.31 C ATOM 2043 OG SER B 566 -16.551 1.893 7.039 1.00 0.75 O ATOM 0 H SER B 566 -13.894 3.575 4.811 1.00 0.28 H new ATOM 0 HA SER B 566 -14.627 3.615 7.538 1.00 0.30 H new ATOM 0 HB2 SER B 566 -16.103 3.218 5.531 1.00 0.31 H new ATOM 0 HB3 SER B 566 -15.384 1.629 5.366 1.00 0.31 H new ATOM 0 HG SER B 566 -17.357 1.578 6.579 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.559 1.338 6.631 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.688 0.273 7.072 1.00 0.25 C ATOM 2051 C TYR B 567 -10.450 0.850 7.742 1.00 0.26 C ATOM 2052 O TYR B 567 -9.854 0.221 8.597 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.306 -0.565 5.866 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.436 -1.755 6.162 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -10.999 -2.966 6.532 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.059 -1.675 6.036 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.213 -4.071 6.778 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.263 -2.776 6.284 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.844 -3.974 6.656 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.054 -5.075 6.902 1.00 0.29 O ATOM 0 H TYR B 567 -12.316 1.724 5.719 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.201 -0.352 7.803 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.218 -0.914 5.382 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.789 0.073 5.149 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.072 -3.045 6.629 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.603 -0.742 5.741 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.668 -5.008 7.065 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.190 -2.701 6.188 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.112 -4.838 6.770 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.064 2.046 7.317 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.897 2.737 7.859 1.00 0.29 C ATOM 2072 C LEU B 568 -9.199 3.506 9.145 1.00 0.35 C ATOM 2073 O LEU B 568 -8.379 3.545 10.058 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.386 3.712 6.824 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.216 3.243 5.977 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.358 1.778 5.586 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.156 4.114 4.749 1.00 0.26 C ATOM 0 H LEU B 568 -10.550 2.566 6.587 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.155 1.976 8.101 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.210 3.967 6.158 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.093 4.630 7.334 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.294 3.327 6.552 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.502 1.478 4.981 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.399 1.164 6.485 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.274 1.642 5.012 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.323 3.800 4.120 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.088 4.020 4.191 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -7.014 5.153 5.046 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.359 4.142 9.206 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.707 4.982 10.356 1.00 0.46 C ATOM 2091 C ASN B 569 -11.255 4.141 11.512 1.00 0.50 C ATOM 2092 O ASN B 569 -11.827 4.670 12.465 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.725 6.072 9.971 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.164 5.571 9.898 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -13.377 4.388 9.338 1.00 0.68 O flip ATOM 2096 ND2 ASN B 569 -14.087 6.274 10.304 1.00 0.44 N flip ATOM 0 H ASN B 569 -11.075 4.097 8.481 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.789 5.469 10.684 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.668 6.882 10.698 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.446 6.491 9.004 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -13.889 7.179 10.730 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -15.051 5.952 10.215 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.070 2.831 11.405 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.527 1.883 12.413 1.00 0.59 C ATOM 2105 C TYR B 570 -10.930 2.209 13.784 1.00 0.90 C ATOM 2106 O TYR B 570 -9.698 2.406 13.874 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.164 0.448 11.995 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.678 0.151 12.015 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.825 0.686 11.061 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.130 -0.662 12.998 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.473 0.424 11.081 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -7.779 -0.928 13.028 1.00 0.87 C ATOM 2113 CZ TYR B 570 -6.951 -0.384 12.068 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.600 -0.651 12.098 1.00 1.04 O ATOM 2115 OXT TYR B 570 -11.697 2.274 14.765 1.00 1.66 O ATOM 0 H TYR B 570 -10.597 2.395 10.614 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.611 1.963 12.491 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.672 -0.251 12.660 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.546 0.267 10.990 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.229 1.321 10.287 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -9.773 -1.093 13.751 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.826 0.849 10.328 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.369 -1.561 13.801 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.399 -1.236 12.858 1.00 1.04 H new