USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=33 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: B 562 LYS NZ :NH3+ 144:sc= 0.131 (180deg=0) USER MOD Set 1.2: B 563 SER OG : rot 180:sc= 0.126 USER MOD Set 2.1: A 55 SER OG : rot -54:sc= 0.912 USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 90:sc= 0.834 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 57 ASN : amide:sc= -2.35! C(o=-2.4!,f=-4.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.173 K(o=-0.17,f=-0.72) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc=-0.00654 (180deg=-0.0805) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.73! K(o=-2.7!,f=-0.2) USER MOD Single : A 67 SER OG : rot -172:sc= -2.57! USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 1.1 (180deg=0.842) USER MOD Single : A 71 SER OG : rot 9:sc= 0.67 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -5:sc= 1.2 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc=-0.00482 K(o=-0.0048,f=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ -118:sc= -0.637 (180deg=-4.16!) USER MOD Single : A 84 MET CE :methyl 161:sc=-0.000136 (180deg=-0.94) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 88 ASN : amide:sc= -0.0105 K(o=-0.01,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 0.174 (180deg=0.173) USER MOD Single : A 97 MET CE :methyl 180:sc= -0.188 (180deg=-0.188) USER MOD Single : A 100 GLN : amide:sc= -6.19! C(o=-6.2!,f=-7.2!) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0213) USER MOD Single : A 106 LYS NZ :NH3+ 150:sc= 1.62 (180deg=1.14) USER MOD Single : A 109 SER OG : rot -13:sc= 0.621 USER MOD Single : A 110 MET CE :methyl -163:sc= -7.9! (180deg=-8.17!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -173:sc= 0.655 (180deg=0.195) USER MOD Single : A 125 THR OG1 : rot 33:sc= 0.161 USER MOD Single : A 130 LYS NZ :NH3+ -162:sc= 0.931 (180deg=-0.0512!) USER MOD Single : A 135 LYS NZ :NH3+ -113:sc= 1.07 (180deg=-2.98!) 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 -96:sc= 1.16 USER MOD Single : B 566 SER OG : rot 98:sc= 1.28 USER MOD Single : B 567 TYR OH : rot -92:sc= -0.0467 USER MOD Single : B 569 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.89) USER MOD Single : B 570 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -1.912 5.553 10.225 1.00 0.62 N ATOM 77 CA LYS A 34 -1.880 4.130 10.250 1.00 0.54 C ATOM 78 C LYS A 34 -0.630 3.617 9.556 1.00 0.43 C ATOM 79 O LYS A 34 -0.547 3.619 8.327 1.00 0.53 O ATOM 80 CB LYS A 34 -3.142 3.642 9.559 1.00 0.66 C ATOM 81 CG LYS A 34 -4.160 3.101 10.535 1.00 0.83 C ATOM 82 CD LYS A 34 -4.820 4.196 11.353 1.00 0.84 C ATOM 83 CE LYS A 34 -5.625 3.610 12.499 1.00 0.90 C ATOM 84 NZ LYS A 34 -6.213 4.662 13.369 1.00 1.23 N ATOM 0 HA LYS A 34 -1.847 3.755 11.273 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.584 4.463 8.994 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.882 2.864 8.841 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -4.925 2.549 9.989 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.674 2.393 11.206 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.059 4.870 11.746 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.472 4.790 10.713 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.423 2.985 12.098 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -4.984 2.963 13.097 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -6.753 4.215 14.137 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -5.452 5.243 13.774 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -6.846 5.265 12.805 1.00 1.23 H new ATOM 98 N GLU A 35 0.347 3.190 10.344 1.00 0.43 N ATOM 99 CA GLU A 35 1.591 2.683 9.792 1.00 0.48 C ATOM 100 C GLU A 35 1.409 1.252 9.316 1.00 0.40 C ATOM 101 O GLU A 35 1.501 0.302 10.099 1.00 0.55 O ATOM 102 CB GLU A 35 2.710 2.736 10.834 1.00 0.75 C ATOM 103 CG GLU A 35 2.993 4.126 11.368 1.00 1.06 C ATOM 104 CD GLU A 35 4.026 4.111 12.473 1.00 1.35 C ATOM 105 OE1 GLU A 35 4.100 3.112 13.218 1.00 1.86 O ATOM 106 OE2 GLU A 35 4.796 5.089 12.581 1.00 1.83 O ATOM 0 H GLU A 35 0.301 3.185 11.363 1.00 0.43 H new ATOM 0 HA GLU A 35 1.868 3.314 8.947 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.447 2.085 11.668 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.622 2.335 10.392 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.342 4.762 10.555 1.00 1.06 H new ATOM 0 HG3 GLU A 35 2.068 4.565 11.742 1.00 1.06 H new ATOM 113 N TRP A 36 1.154 1.102 8.034 1.00 0.28 N ATOM 114 CA TRP A 36 1.044 -0.218 7.440 1.00 0.25 C ATOM 115 C TRP A 36 2.418 -0.694 6.985 1.00 0.26 C ATOM 116 O TRP A 36 3.027 -0.095 6.097 1.00 0.40 O ATOM 117 CB TRP A 36 0.087 -0.218 6.245 1.00 0.26 C ATOM 118 CG TRP A 36 -1.292 0.316 6.525 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.914 1.331 5.858 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.223 -0.131 7.523 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.175 1.531 6.364 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.386 0.656 7.387 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.193 -1.111 8.516 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.504 0.489 8.195 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.307 -1.277 9.322 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.447 -0.479 9.158 1.00 1.19 C ATOM 0 H TRP A 36 1.019 1.875 7.382 1.00 0.28 H new ATOM 0 HA TRP A 36 0.645 -0.893 8.198 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.532 0.373 5.444 1.00 0.26 H new ATOM 0 HB3 TRP A 36 -0.005 -1.239 5.874 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.477 1.896 5.048 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.845 2.223 6.028 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.318 -1.728 8.653 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.385 1.101 8.067 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.297 -2.035 10.091 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.298 -0.632 9.806 1.00 1.19 H new ATOM 137 N HIS A 37 2.913 -1.754 7.605 1.00 0.25 N ATOM 138 CA HIS A 37 4.194 -2.331 7.212 1.00 0.25 C ATOM 139 C HIS A 37 4.011 -3.181 5.960 1.00 0.24 C ATOM 140 O HIS A 37 3.349 -4.214 5.999 1.00 0.30 O ATOM 141 CB HIS A 37 4.789 -3.172 8.349 1.00 0.29 C ATOM 142 CG HIS A 37 5.255 -2.362 9.525 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.552 -1.910 9.672 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.584 -1.919 10.616 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.655 -1.231 10.797 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.477 -1.215 11.390 1.00 0.56 N ATOM 0 H HIS A 37 2.452 -2.232 8.379 1.00 0.25 H new ATOM 0 HA HIS A 37 4.890 -1.521 6.996 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.041 -3.889 8.687 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.629 -3.748 7.961 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.312 -2.076 9.012 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.540 -2.088 10.837 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.555 -0.765 11.171 1.00 0.51 H new ATOM 155 N ILE A 38 4.585 -2.729 4.853 1.00 0.20 N ATOM 156 CA ILE A 38 4.384 -3.376 3.562 1.00 0.20 C ATOM 157 C ILE A 38 5.121 -4.711 3.471 1.00 0.21 C ATOM 158 O ILE A 38 6.280 -4.827 3.872 1.00 0.27 O ATOM 159 CB ILE A 38 4.833 -2.458 2.405 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.119 -1.115 2.491 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.533 -3.102 1.068 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.675 -0.065 1.554 1.00 0.20 C ATOM 0 H ILE A 38 5.196 -1.913 4.823 1.00 0.20 H new ATOM 0 HA ILE A 38 3.315 -3.569 3.472 1.00 0.20 H new ATOM 0 HB ILE A 38 5.908 -2.303 2.492 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.062 -1.262 2.270 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.183 -0.745 3.514 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.856 -2.440 0.265 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.065 -4.050 0.993 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.461 -3.280 0.982 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.115 0.863 1.674 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.725 0.112 1.788 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.586 -0.412 0.525 1.00 0.20 H new ATOM 174 N VAL A 39 4.427 -5.710 2.945 1.00 0.19 N ATOM 175 CA VAL A 39 4.976 -7.049 2.770 1.00 0.18 C ATOM 176 C VAL A 39 5.065 -7.402 1.294 1.00 0.16 C ATOM 177 O VAL A 39 4.113 -7.193 0.557 1.00 0.18 O ATOM 178 CB VAL A 39 4.086 -8.104 3.454 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.581 -9.513 3.172 1.00 0.23 C ATOM 180 CG2 VAL A 39 3.986 -7.850 4.937 1.00 0.26 C ATOM 0 H VAL A 39 3.463 -5.615 2.626 1.00 0.19 H new ATOM 0 HA VAL A 39 5.968 -7.051 3.221 1.00 0.18 H new ATOM 0 HB VAL A 39 3.085 -8.016 3.031 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.931 -10.233 3.669 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.569 -9.695 2.097 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.598 -9.623 3.547 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.352 -8.610 5.394 1.00 0.26 H new ATOM 0 HG22 VAL A 39 4.980 -7.892 5.381 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.553 -6.865 5.109 1.00 0.26 H new ATOM 190 N PRO A 40 6.201 -7.929 0.836 1.00 0.14 N ATOM 191 CA PRO A 40 6.344 -8.431 -0.521 1.00 0.14 C ATOM 192 C PRO A 40 5.917 -9.895 -0.636 1.00 0.16 C ATOM 193 O PRO A 40 6.523 -10.781 -0.029 1.00 0.28 O ATOM 194 CB PRO A 40 7.843 -8.288 -0.797 1.00 0.17 C ATOM 195 CG PRO A 40 8.477 -7.846 0.490 1.00 0.15 C ATOM 196 CD PRO A 40 7.454 -8.057 1.573 1.00 0.14 C ATOM 0 HA PRO A 40 5.716 -7.890 -1.229 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.267 -9.234 -1.133 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.023 -7.560 -1.588 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.380 -8.421 0.694 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.772 -6.798 0.436 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.553 -9.036 2.043 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.539 -7.313 2.365 1.00 0.14 H new ATOM 204 N VAL A 41 4.867 -10.142 -1.410 1.00 0.14 N ATOM 205 CA VAL A 41 4.355 -11.497 -1.603 1.00 0.16 C ATOM 206 C VAL A 41 5.132 -12.220 -2.700 1.00 0.18 C ATOM 207 O VAL A 41 5.560 -13.361 -2.529 1.00 0.23 O ATOM 208 CB VAL A 41 2.858 -11.500 -1.988 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.346 -12.923 -2.149 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.016 -10.747 -0.968 1.00 0.20 C ATOM 0 H VAL A 41 4.351 -9.422 -1.916 1.00 0.14 H new ATOM 0 HA VAL A 41 4.479 -12.012 -0.650 1.00 0.16 H new ATOM 0 HB VAL A 41 2.766 -10.984 -2.944 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.290 -12.901 -2.420 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.912 -13.427 -2.933 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.468 -13.462 -1.210 1.00 0.21 H new ATOM 0 HG21 VAL A 41 0.969 -10.770 -1.272 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.121 -11.218 0.009 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.354 -9.712 -0.910 1.00 0.20 H new ATOM 220 N SER A 42 5.306 -11.549 -3.827 1.00 0.19 N ATOM 221 CA SER A 42 5.957 -12.151 -4.978 1.00 0.25 C ATOM 222 C SER A 42 7.463 -11.906 -4.922 1.00 0.24 C ATOM 223 O SER A 42 7.929 -10.904 -4.378 1.00 0.35 O ATOM 224 CB SER A 42 5.365 -11.584 -6.268 1.00 0.34 C ATOM 225 OG SER A 42 5.621 -12.437 -7.371 1.00 1.08 O ATOM 0 H SER A 42 5.005 -10.585 -3.969 1.00 0.19 H new ATOM 0 HA SER A 42 5.785 -13.227 -4.961 1.00 0.25 H new ATOM 0 HB2 SER A 42 4.290 -11.452 -6.150 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.788 -10.598 -6.462 1.00 0.34 H new ATOM 0 HG SER A 42 5.229 -12.050 -8.182 1.00 1.08 H new ATOM 231 N LYS A 43 8.206 -12.843 -5.507 1.00 0.28 N ATOM 232 CA LYS A 43 9.664 -12.895 -5.397 1.00 0.31 C ATOM 233 C LYS A 43 10.326 -11.689 -6.019 1.00 0.26 C ATOM 234 O LYS A 43 11.369 -11.233 -5.557 1.00 0.32 O ATOM 235 CB LYS A 43 10.193 -14.154 -6.071 1.00 0.42 C ATOM 236 CG LYS A 43 9.551 -15.410 -5.542 1.00 1.02 C ATOM 237 CD LYS A 43 8.574 -16.013 -6.534 1.00 1.41 C ATOM 238 CE LYS A 43 8.055 -17.357 -6.048 1.00 2.09 C ATOM 239 NZ LYS A 43 7.077 -17.941 -7.000 1.00 2.95 N ATOM 0 H LYS A 43 7.812 -13.593 -6.075 1.00 0.28 H new ATOM 0 HA LYS A 43 9.905 -12.904 -4.334 1.00 0.31 H new ATOM 0 HB2 LYS A 43 10.019 -14.087 -7.145 1.00 0.42 H new ATOM 0 HB3 LYS A 43 11.272 -14.213 -5.926 1.00 0.42 H new ATOM 0 HG2 LYS A 43 10.325 -16.141 -5.306 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.030 -15.186 -4.611 1.00 1.02 H new ATOM 0 HD2 LYS A 43 7.738 -15.331 -6.685 1.00 1.41 H new ATOM 0 HD3 LYS A 43 9.063 -16.137 -7.500 1.00 1.41 H new ATOM 0 HE2 LYS A 43 8.891 -18.044 -5.916 1.00 2.09 H new ATOM 0 HE3 LYS A 43 7.585 -17.235 -5.072 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 6.744 -18.857 -6.637 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 6.268 -17.296 -7.106 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 7.533 -18.080 -7.924 1.00 2.95 H new ATOM 253 N ASP A 44 9.724 -11.194 -7.076 1.00 0.23 N ATOM 254 CA ASP A 44 10.235 -10.000 -7.755 1.00 0.21 C ATOM 255 C ASP A 44 10.218 -8.800 -6.813 1.00 0.17 C ATOM 256 O ASP A 44 10.920 -7.810 -7.030 1.00 0.18 O ATOM 257 CB ASP A 44 9.408 -9.677 -8.998 1.00 0.25 C ATOM 258 CG ASP A 44 10.200 -8.912 -10.032 1.00 0.39 C ATOM 259 OD1 ASP A 44 11.440 -9.044 -10.054 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.591 -8.167 -10.827 1.00 0.97 O ATOM 0 H ASP A 44 8.881 -11.590 -7.492 1.00 0.23 H new ATOM 0 HA ASP A 44 11.261 -10.209 -8.059 1.00 0.21 H new ATOM 0 HB2 ASP A 44 9.041 -10.604 -9.438 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.534 -9.093 -8.708 1.00 0.25 H new ATOM 265 N TYR A 45 9.407 -8.897 -5.767 1.00 0.15 N ATOM 266 CA TYR A 45 9.308 -7.843 -4.769 1.00 0.13 C ATOM 267 C TYR A 45 10.042 -8.240 -3.497 1.00 0.15 C ATOM 268 O TYR A 45 10.069 -7.493 -2.535 1.00 0.15 O ATOM 269 CB TYR A 45 7.842 -7.525 -4.449 1.00 0.12 C ATOM 270 CG TYR A 45 7.072 -6.976 -5.623 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.666 -7.808 -6.657 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.738 -5.630 -5.688 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.942 -7.308 -7.725 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.019 -5.124 -6.752 1.00 0.25 C ATOM 275 CZ TYR A 45 5.685 -5.965 -7.807 1.00 0.27 C ATOM 276 OH TYR A 45 4.887 -5.467 -8.816 1.00 0.35 O ATOM 0 H TYR A 45 8.805 -9.701 -5.589 1.00 0.15 H new ATOM 0 HA TYR A 45 9.774 -6.948 -5.182 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.351 -8.432 -4.096 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.805 -6.804 -3.632 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.918 -8.858 -6.628 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.046 -4.968 -4.893 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.580 -7.976 -8.493 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.719 -4.086 -6.765 1.00 0.25 H new ATOM 0 HH TYR A 45 3.953 -5.456 -8.519 1.00 0.35 H new ATOM 286 N PHE A 46 10.664 -9.408 -3.494 1.00 0.19 N ATOM 287 CA PHE A 46 11.391 -9.870 -2.314 1.00 0.23 C ATOM 288 C PHE A 46 12.560 -8.947 -1.986 1.00 0.22 C ATOM 289 O PHE A 46 13.140 -9.019 -0.903 1.00 0.26 O ATOM 290 CB PHE A 46 11.884 -11.305 -2.493 1.00 0.28 C ATOM 291 CG PHE A 46 10.859 -12.356 -2.159 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.591 -12.000 -1.719 1.00 0.68 C ATOM 293 CD2 PHE A 46 11.168 -13.701 -2.279 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.656 -12.967 -1.408 1.00 0.74 C ATOM 295 CE2 PHE A 46 10.234 -14.671 -1.970 1.00 0.76 C ATOM 296 CZ PHE A 46 8.978 -14.303 -1.534 1.00 0.57 C ATOM 0 H PHE A 46 10.683 -10.051 -4.286 1.00 0.19 H new ATOM 0 HA PHE A 46 10.693 -9.849 -1.477 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.204 -11.441 -3.526 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.762 -11.457 -1.865 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.334 -10.956 -1.619 1.00 0.68 H new ATOM 0 HD2 PHE A 46 12.150 -13.995 -2.618 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.673 -12.678 -1.066 1.00 0.74 H new ATOM 0 HE2 PHE A 46 10.487 -15.716 -2.070 1.00 0.76 H new ATOM 0 HZ PHE A 46 8.247 -15.060 -1.291 1.00 0.57 H new ATOM 306 N SER A 47 12.897 -8.073 -2.923 1.00 0.19 N ATOM 307 CA SER A 47 13.998 -7.161 -2.752 1.00 0.23 C ATOM 308 C SER A 47 13.564 -5.871 -2.046 1.00 0.17 C ATOM 309 O SER A 47 14.406 -5.042 -1.726 1.00 0.20 O ATOM 310 CB SER A 47 14.591 -6.853 -4.121 1.00 0.31 C ATOM 311 OG SER A 47 14.878 -8.053 -4.819 1.00 1.19 O ATOM 0 H SER A 47 12.412 -7.983 -3.816 1.00 0.19 H new ATOM 0 HA SER A 47 14.750 -7.629 -2.116 1.00 0.23 H new ATOM 0 HB2 SER A 47 13.892 -6.248 -4.699 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.502 -6.266 -4.006 1.00 0.31 H new ATOM 0 HG SER A 47 15.257 -7.838 -5.697 1.00 1.19 H new ATOM 317 N ILE A 48 12.258 -5.716 -1.786 1.00 0.17 N ATOM 318 CA ILE A 48 11.739 -4.490 -1.159 1.00 0.15 C ATOM 319 C ILE A 48 12.484 -4.207 0.155 1.00 0.17 C ATOM 320 O ILE A 48 12.786 -5.130 0.913 1.00 0.20 O ATOM 321 CB ILE A 48 10.198 -4.562 -0.911 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.451 -4.801 -2.228 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.685 -3.290 -0.261 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.268 -3.881 -2.468 1.00 0.21 C ATOM 0 H ILE A 48 11.547 -6.416 -1.997 1.00 0.17 H new ATOM 0 HA ILE A 48 11.915 -3.669 -1.854 1.00 0.15 H new ATOM 0 HB ILE A 48 10.014 -5.397 -0.235 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.154 -4.688 -3.053 1.00 0.18 H new ATOM 0 HG13 ILE A 48 9.100 -5.833 -2.248 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.610 -3.371 -0.101 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.184 -3.144 0.697 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.892 -2.440 -0.911 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.804 -4.126 -3.423 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.539 -4.009 -1.668 1.00 0.21 H new ATOM 0 HD13 ILE A 48 8.610 -2.846 -2.486 1.00 0.21 H new ATOM 336 N PRO A 49 12.821 -2.919 0.392 1.00 0.16 N ATOM 337 CA PRO A 49 13.674 -2.449 1.499 1.00 0.19 C ATOM 338 C PRO A 49 13.377 -2.990 2.894 1.00 0.15 C ATOM 339 O PRO A 49 12.410 -3.716 3.119 1.00 0.21 O ATOM 340 CB PRO A 49 13.449 -0.933 1.517 1.00 0.26 C ATOM 341 CG PRO A 49 12.331 -0.697 0.583 1.00 0.17 C ATOM 342 CD PRO A 49 12.419 -1.784 -0.436 1.00 0.16 C ATOM 0 HA PRO A 49 14.689 -2.797 1.306 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.205 -0.583 2.520 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.345 -0.398 1.202 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.374 -0.725 1.103 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.412 0.285 0.116 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.466 -1.957 -0.936 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.151 -1.562 -1.212 1.00 0.16 H new ATOM 350 N ASN A 50 14.222 -2.568 3.829 1.00 0.17 N ATOM 351 CA ASN A 50 14.155 -2.998 5.218 1.00 0.22 C ATOM 352 C ASN A 50 12.757 -2.825 5.804 1.00 0.22 C ATOM 353 O ASN A 50 12.169 -3.778 6.317 1.00 0.34 O ATOM 354 CB ASN A 50 15.154 -2.192 6.054 1.00 0.35 C ATOM 355 CG ASN A 50 15.321 -2.754 7.453 1.00 0.58 C ATOM 356 OD1 ASN A 50 15.194 -3.960 7.676 1.00 1.23 O ATOM 357 ND2 ASN A 50 15.603 -1.883 8.406 1.00 0.83 N ATOM 0 H ASN A 50 14.979 -1.911 3.640 1.00 0.17 H new ATOM 0 HA ASN A 50 14.403 -4.059 5.246 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.121 -2.183 5.551 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.818 -1.157 6.119 1.00 0.35 H new ATOM 0 HD21 ASN A 50 15.724 -2.201 9.368 1.00 0.83 H new ATOM 0 HD22 ASN A 50 15.700 -0.893 8.180 1.00 0.83 H new ATOM 364 N ASP A 51 12.214 -1.617 5.697 1.00 0.24 N ATOM 365 CA ASP A 51 10.959 -1.292 6.368 1.00 0.34 C ATOM 366 C ASP A 51 10.341 -0.038 5.776 1.00 0.27 C ATOM 367 O ASP A 51 10.806 1.077 6.018 1.00 0.36 O ATOM 368 CB ASP A 51 11.180 -1.106 7.876 1.00 0.51 C ATOM 369 CG ASP A 51 9.887 -0.855 8.634 1.00 1.20 C ATOM 370 OD1 ASP A 51 9.056 -1.788 8.720 1.00 1.90 O ATOM 371 OD2 ASP A 51 9.702 0.272 9.152 1.00 1.23 O ATOM 0 H ASP A 51 12.618 -0.852 5.157 1.00 0.24 H new ATOM 0 HA ASP A 51 10.273 -2.125 6.216 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.666 -1.994 8.280 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.859 -0.269 8.039 1.00 0.51 H new ATOM 376 N LEU A 52 9.319 -0.236 4.964 1.00 0.22 N ATOM 377 CA LEU A 52 8.549 0.868 4.411 1.00 0.17 C ATOM 378 C LEU A 52 7.255 1.039 5.183 1.00 0.19 C ATOM 379 O LEU A 52 6.590 0.059 5.529 1.00 0.25 O ATOM 380 CB LEU A 52 8.219 0.628 2.938 1.00 0.18 C ATOM 381 CG LEU A 52 9.418 0.485 2.011 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.953 0.092 0.620 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.226 1.774 1.957 1.00 0.15 C ATOM 0 H LEU A 52 8.999 -1.159 4.670 1.00 0.22 H new ATOM 0 HA LEU A 52 9.156 1.770 4.495 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.614 -0.275 2.862 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.604 1.455 2.582 1.00 0.18 H new ATOM 0 HG LEU A 52 10.065 -0.299 2.405 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.817 -0.008 -0.037 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.422 -0.859 0.669 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.286 0.860 0.229 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.076 1.643 1.288 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.596 2.583 1.589 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.586 2.020 2.956 1.00 0.15 H new ATOM 395 N LEU A 53 6.897 2.278 5.446 1.00 0.16 N ATOM 396 CA LEU A 53 5.642 2.569 6.112 1.00 0.18 C ATOM 397 C LEU A 53 4.645 3.131 5.117 1.00 0.17 C ATOM 398 O LEU A 53 4.859 4.190 4.526 1.00 0.17 O ATOM 399 CB LEU A 53 5.838 3.563 7.258 1.00 0.21 C ATOM 400 CG LEU A 53 6.721 3.080 8.405 1.00 0.26 C ATOM 401 CD1 LEU A 53 6.832 4.161 9.465 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.168 1.796 9.007 1.00 0.30 C ATOM 0 H LEU A 53 7.455 3.099 5.210 1.00 0.16 H new ATOM 0 HA LEU A 53 5.260 1.637 6.528 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.269 4.478 6.852 1.00 0.21 H new ATOM 0 HB3 LEU A 53 4.859 3.823 7.661 1.00 0.21 H new ATOM 0 HG LEU A 53 7.716 2.868 8.013 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.464 3.808 10.280 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.272 5.057 9.027 1.00 0.32 H new ATOM 0 HD13 LEU A 53 5.840 4.396 9.851 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.813 1.469 9.823 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.163 1.976 9.389 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.131 1.021 8.241 1.00 0.30 H new ATOM 414 N TRP A 54 3.569 2.407 4.926 1.00 0.18 N ATOM 415 CA TRP A 54 2.487 2.869 4.090 1.00 0.20 C ATOM 416 C TRP A 54 1.397 3.445 4.972 1.00 0.23 C ATOM 417 O TRP A 54 0.917 2.781 5.884 1.00 0.28 O ATOM 418 CB TRP A 54 1.934 1.707 3.258 1.00 0.22 C ATOM 419 CG TRP A 54 0.866 2.100 2.278 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.285 2.779 2.544 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.839 1.807 0.878 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.011 2.947 1.397 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.349 2.353 0.364 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.705 1.145 0.008 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.693 2.255 -0.977 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.356 1.044 -1.324 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.166 1.599 -1.801 1.00 0.35 C ATOM 0 H TRP A 54 3.419 1.488 5.342 1.00 0.18 H new ATOM 0 HA TRP A 54 2.851 3.638 3.409 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.756 1.242 2.714 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.531 0.952 3.933 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.581 3.134 3.520 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -1.903 3.437 1.326 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.630 0.720 0.369 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.610 2.685 -1.352 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 2.013 0.528 -2.008 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.077 1.505 -2.849 1.00 0.35 H new ATOM 438 N SER A 55 1.022 4.679 4.720 1.00 0.26 N ATOM 439 CA SER A 55 -0.102 5.260 5.404 1.00 0.33 C ATOM 440 C SER A 55 -1.001 5.947 4.400 1.00 0.25 C ATOM 441 O SER A 55 -0.602 6.921 3.760 1.00 0.22 O ATOM 442 CB SER A 55 0.380 6.254 6.461 1.00 0.44 C ATOM 443 OG SER A 55 1.225 5.618 7.403 1.00 1.11 O ATOM 0 H SER A 55 1.480 5.295 4.048 1.00 0.26 H new ATOM 0 HA SER A 55 -0.666 4.474 5.907 1.00 0.33 H new ATOM 0 HB2 SER A 55 0.916 7.072 5.980 1.00 0.44 H new ATOM 0 HB3 SER A 55 -0.477 6.692 6.972 1.00 0.44 H new ATOM 0 HG SER A 55 0.766 4.839 7.781 1.00 1.11 H new ATOM 449 N PHE A 56 -2.204 5.426 4.220 1.00 0.30 N ATOM 450 CA PHE A 56 -3.162 6.126 3.397 1.00 0.28 C ATOM 451 C PHE A 56 -3.587 7.350 4.171 1.00 0.27 C ATOM 452 O PHE A 56 -4.152 7.228 5.257 1.00 0.39 O ATOM 453 CB PHE A 56 -4.410 5.282 3.106 1.00 0.40 C ATOM 454 CG PHE A 56 -4.162 3.886 2.601 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.802 2.874 3.476 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.329 3.578 1.263 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.611 1.580 3.025 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.133 2.287 0.807 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.775 1.289 1.691 1.00 0.27 C ATOM 0 H PHE A 56 -2.529 4.547 4.622 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.699 6.366 2.440 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.001 5.216 4.020 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.018 5.810 2.371 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.669 3.098 4.524 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.615 4.353 0.568 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.334 0.800 3.719 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.260 2.060 -0.241 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.624 0.281 1.335 1.00 0.27 H new ATOM 469 N ASN A 57 -3.337 8.518 3.637 1.00 0.24 N ATOM 470 CA ASN A 57 -3.767 9.721 4.306 1.00 0.31 C ATOM 471 C ASN A 57 -5.118 10.119 3.755 1.00 0.33 C ATOM 472 O ASN A 57 -5.226 10.854 2.784 1.00 0.41 O ATOM 473 CB ASN A 57 -2.735 10.835 4.121 1.00 0.45 C ATOM 474 CG ASN A 57 -3.151 12.147 4.754 1.00 1.09 C ATOM 475 OD1 ASN A 57 -3.978 12.184 5.667 1.00 2.12 O ATOM 476 ND2 ASN A 57 -2.567 13.233 4.277 1.00 1.16 N ATOM 0 H ASN A 57 -2.846 8.663 2.755 1.00 0.24 H new ATOM 0 HA ASN A 57 -3.857 9.544 5.378 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -1.786 10.517 4.551 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -2.566 10.991 3.056 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -2.796 14.148 4.666 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.888 13.156 3.520 1.00 1.16 H new ATOM 483 N THR A 58 -6.143 9.656 4.431 1.00 0.34 N ATOM 484 CA THR A 58 -7.513 9.853 4.006 1.00 0.40 C ATOM 485 C THR A 58 -8.051 11.154 4.569 1.00 0.48 C ATOM 486 O THR A 58 -9.200 11.530 4.347 1.00 0.61 O ATOM 487 CB THR A 58 -8.350 8.664 4.494 1.00 0.40 C ATOM 488 OG1 THR A 58 -7.933 8.305 5.820 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.181 7.470 3.563 1.00 0.48 C ATOM 0 H THR A 58 -6.051 9.128 5.299 1.00 0.34 H new ATOM 0 HA THR A 58 -7.564 9.912 2.919 1.00 0.40 H new ATOM 0 HB THR A 58 -9.401 8.951 4.500 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.467 7.546 6.137 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.783 6.637 3.927 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.507 7.742 2.559 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.132 7.175 3.536 1.00 0.48 H new ATOM 497 N THR A 59 -7.179 11.837 5.283 1.00 0.50 N ATOM 498 CA THR A 59 -7.483 13.097 5.896 1.00 0.63 C ATOM 499 C THR A 59 -7.239 14.227 4.898 1.00 0.67 C ATOM 500 O THR A 59 -7.956 15.223 4.874 1.00 0.77 O ATOM 501 CB THR A 59 -6.593 13.262 7.130 1.00 0.74 C ATOM 502 OG1 THR A 59 -6.685 12.102 7.953 1.00 0.86 O ATOM 503 CG2 THR A 59 -6.967 14.488 7.926 1.00 0.90 C ATOM 0 H THR A 59 -6.225 11.519 5.451 1.00 0.50 H new ATOM 0 HA THR A 59 -8.530 13.131 6.198 1.00 0.63 H new ATOM 0 HB THR A 59 -5.566 13.387 6.787 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.112 12.213 8.740 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.313 14.572 8.794 1.00 0.90 H new ATOM 0 HG22 THR A 59 -6.856 15.375 7.302 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.002 14.405 8.258 1.00 0.90 H new ATOM 511 N ASN A 60 -6.216 14.048 4.068 1.00 0.65 N ATOM 512 CA ASN A 60 -5.925 14.982 2.985 1.00 0.74 C ATOM 513 C ASN A 60 -6.200 14.295 1.650 1.00 0.72 C ATOM 514 O ASN A 60 -5.935 14.822 0.573 1.00 0.84 O ATOM 515 CB ASN A 60 -4.465 15.447 3.065 1.00 0.86 C ATOM 516 CG ASN A 60 -4.118 16.523 2.052 1.00 1.17 C ATOM 517 OD1 ASN A 60 -4.953 17.350 1.691 1.00 1.99 O ATOM 518 ND2 ASN A 60 -2.880 16.516 1.584 1.00 1.69 N ATOM 0 H ASN A 60 -5.571 13.260 4.125 1.00 0.65 H new ATOM 0 HA ASN A 60 -6.564 15.861 3.075 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -4.266 15.825 4.068 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -3.810 14.590 2.912 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -2.590 17.214 0.899 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -2.216 15.813 1.909 1.00 1.69 H new ATOM 525 N LYS A 61 -6.764 13.095 1.772 1.00 0.64 N ATOM 526 CA LYS A 61 -7.071 12.215 0.648 1.00 0.66 C ATOM 527 C LYS A 61 -5.862 12.028 -0.272 1.00 0.65 C ATOM 528 O LYS A 61 -5.899 12.380 -1.450 1.00 0.94 O ATOM 529 CB LYS A 61 -8.269 12.709 -0.170 1.00 0.84 C ATOM 530 CG LYS A 61 -9.546 12.963 0.626 1.00 0.96 C ATOM 531 CD LYS A 61 -9.579 14.351 1.249 1.00 0.99 C ATOM 532 CE LYS A 61 -9.411 15.454 0.208 1.00 1.06 C ATOM 533 NZ LYS A 61 -10.434 15.380 -0.872 1.00 1.65 N ATOM 0 H LYS A 61 -7.026 12.699 2.675 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.333 11.252 1.086 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -7.986 13.633 -0.675 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.485 11.975 -0.946 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.409 12.842 -0.029 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.635 12.213 1.412 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -10.524 14.490 1.773 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -8.787 14.432 1.993 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -9.475 16.425 0.699 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -8.416 15.385 -0.233 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -10.363 16.223 -1.476 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -10.272 14.528 -1.446 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -11.383 15.337 -0.449 1.00 1.65 H new ATOM 547 N SER A 62 -4.806 11.458 0.275 1.00 0.41 N ATOM 548 CA SER A 62 -3.578 11.218 -0.459 1.00 0.38 C ATOM 549 C SER A 62 -2.852 10.004 0.122 1.00 0.35 C ATOM 550 O SER A 62 -3.041 9.658 1.279 1.00 0.50 O ATOM 551 CB SER A 62 -2.696 12.466 -0.401 1.00 0.47 C ATOM 552 OG SER A 62 -2.620 12.976 0.920 1.00 1.28 O ATOM 0 H SER A 62 -4.775 11.147 1.246 1.00 0.41 H new ATOM 0 HA SER A 62 -3.810 11.006 -1.503 1.00 0.38 H new ATOM 0 HB2 SER A 62 -1.695 12.225 -0.759 1.00 0.47 H new ATOM 0 HB3 SER A 62 -3.097 13.230 -1.067 1.00 0.47 H new ATOM 0 HG SER A 62 -2.049 13.773 0.931 1.00 1.28 H new ATOM 558 N ILE A 63 -2.048 9.346 -0.688 1.00 0.36 N ATOM 559 CA ILE A 63 -1.289 8.195 -0.233 1.00 0.33 C ATOM 560 C ILE A 63 0.088 8.646 0.222 1.00 0.35 C ATOM 561 O ILE A 63 0.833 9.239 -0.551 1.00 0.54 O ATOM 562 CB ILE A 63 -1.105 7.133 -1.338 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.383 6.969 -2.167 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.694 5.806 -0.718 1.00 0.39 C ATOM 565 CD1 ILE A 63 -2.268 5.921 -3.252 1.00 1.11 C ATOM 0 H ILE A 63 -1.902 9.588 -1.668 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.853 7.745 0.584 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.316 7.469 -2.011 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -3.206 6.704 -1.503 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.636 7.926 -2.623 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.566 5.061 -1.504 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.246 5.931 -0.180 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.467 5.473 -0.025 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.209 5.859 -3.799 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.467 6.195 -3.939 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -2.045 4.954 -2.801 1.00 1.11 H new ATOM 577 N ASN A 64 0.421 8.382 1.467 1.00 0.25 N ATOM 578 CA ASN A 64 1.722 8.756 1.989 1.00 0.25 C ATOM 579 C ASN A 64 2.538 7.521 2.317 1.00 0.21 C ATOM 580 O ASN A 64 2.320 6.868 3.335 1.00 0.24 O ATOM 581 CB ASN A 64 1.581 9.640 3.224 1.00 0.34 C ATOM 582 CG ASN A 64 1.194 11.070 2.882 1.00 0.57 C ATOM 583 OD1 ASN A 64 0.479 11.732 3.636 1.00 1.22 O ATOM 584 ND2 ASN A 64 1.675 11.565 1.752 1.00 0.53 N ATOM 0 H ASN A 64 -0.188 7.911 2.137 1.00 0.25 H new ATOM 0 HA ASN A 64 2.243 9.325 1.219 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.829 9.213 3.887 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.523 9.644 3.772 1.00 0.34 H new ATOM 0 HD21 ASN A 64 1.456 12.524 1.481 1.00 0.53 H new ATOM 0 HD22 ASN A 64 2.264 10.987 1.152 1.00 0.53 H new ATOM 591 N VAL A 65 3.461 7.190 1.436 1.00 0.20 N ATOM 592 CA VAL A 65 4.338 6.057 1.655 1.00 0.18 C ATOM 593 C VAL A 65 5.723 6.565 2.009 1.00 0.20 C ATOM 594 O VAL A 65 6.374 7.226 1.198 1.00 0.25 O ATOM 595 CB VAL A 65 4.441 5.142 0.417 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.123 3.832 0.778 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.072 4.890 -0.198 1.00 0.19 C ATOM 0 H VAL A 65 3.623 7.690 0.562 1.00 0.20 H new ATOM 0 HA VAL A 65 3.915 5.466 2.468 1.00 0.18 H new ATOM 0 HB VAL A 65 5.049 5.652 -0.330 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.187 3.199 -0.107 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.126 4.035 1.152 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.545 3.321 1.548 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.178 4.242 -1.068 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.426 4.409 0.536 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.630 5.838 -0.503 1.00 0.19 H new ATOM 607 N TYR A 66 6.167 6.276 3.215 1.00 0.19 N ATOM 608 CA TYR A 66 7.443 6.783 3.683 1.00 0.21 C ATOM 609 C TYR A 66 8.157 5.783 4.576 1.00 0.21 C ATOM 610 O TYR A 66 7.549 4.910 5.176 1.00 0.24 O ATOM 611 CB TYR A 66 7.272 8.127 4.408 1.00 0.27 C ATOM 612 CG TYR A 66 6.181 8.159 5.461 1.00 0.31 C ATOM 613 CD1 TYR A 66 4.870 8.465 5.117 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.466 7.908 6.799 1.00 0.40 C ATOM 615 CE1 TYR A 66 3.874 8.521 6.074 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.473 7.957 7.763 1.00 0.50 C ATOM 617 CZ TYR A 66 4.180 8.265 7.394 1.00 0.51 C ATOM 618 OH TYR A 66 3.189 8.328 8.350 1.00 0.63 O ATOM 0 H TYR A 66 5.666 5.695 3.888 1.00 0.19 H new ATOM 0 HA TYR A 66 8.065 6.942 2.802 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.219 8.390 4.881 1.00 0.27 H new ATOM 0 HB3 TYR A 66 7.061 8.897 3.666 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.625 8.663 4.084 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.478 7.671 7.091 1.00 0.40 H new ATOM 0 HE1 TYR A 66 2.861 8.764 5.789 1.00 0.43 H new ATOM 0 HE2 TYR A 66 5.709 7.755 8.797 1.00 0.50 H new ATOM 0 HH TYR A 66 3.569 8.120 9.229 1.00 0.63 H new ATOM 628 N SER A 67 9.460 5.919 4.628 1.00 0.21 N ATOM 629 CA SER A 67 10.308 5.093 5.458 1.00 0.24 C ATOM 630 C SER A 67 11.406 5.963 6.035 1.00 0.28 C ATOM 631 O SER A 67 11.343 7.188 5.925 1.00 0.30 O ATOM 632 CB SER A 67 10.916 3.933 4.667 1.00 0.26 C ATOM 633 OG SER A 67 11.921 4.382 3.769 1.00 0.29 O ATOM 0 H SER A 67 9.970 6.617 4.087 1.00 0.21 H new ATOM 0 HA SER A 67 9.706 4.658 6.256 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.343 3.205 5.357 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.131 3.421 4.110 1.00 0.26 H new ATOM 0 HG SER A 67 12.199 3.640 3.192 1.00 0.29 H new ATOM 639 N LYS A 68 12.402 5.346 6.638 1.00 0.33 N ATOM 640 CA LYS A 68 13.517 6.076 7.217 1.00 0.38 C ATOM 641 C LYS A 68 14.272 6.856 6.124 1.00 0.36 C ATOM 642 O LYS A 68 15.090 7.729 6.420 1.00 0.42 O ATOM 643 CB LYS A 68 14.486 5.101 7.909 1.00 0.47 C ATOM 644 CG LYS A 68 13.874 3.767 8.348 1.00 0.63 C ATOM 645 CD LYS A 68 12.644 3.932 9.230 1.00 1.00 C ATOM 646 CE LYS A 68 11.910 2.605 9.389 1.00 1.58 C ATOM 647 NZ LYS A 68 10.582 2.765 10.042 1.00 2.03 N ATOM 0 H LYS A 68 12.464 4.333 6.741 1.00 0.33 H new ATOM 0 HA LYS A 68 13.124 6.779 7.952 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.314 4.896 7.231 1.00 0.47 H new ATOM 0 HB3 LYS A 68 14.907 5.594 8.785 1.00 0.47 H new ATOM 0 HG2 LYS A 68 13.604 3.190 7.463 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.625 3.190 8.888 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.941 4.308 10.209 1.00 1.00 H new ATOM 0 HD3 LYS A 68 11.975 4.673 8.793 1.00 1.00 H new ATOM 0 HE2 LYS A 68 11.777 2.147 8.409 1.00 1.58 H new ATOM 0 HE3 LYS A 68 12.522 1.923 9.979 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 10.008 1.915 9.873 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 10.712 2.898 11.065 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 10.097 3.595 9.644 1.00 2.03 H new ATOM 661 N CYS A 69 13.984 6.541 4.856 1.00 0.36 N ATOM 662 CA CYS A 69 14.728 7.111 3.733 1.00 0.37 C ATOM 663 C CYS A 69 13.817 7.622 2.602 1.00 0.41 C ATOM 664 O CYS A 69 14.141 8.620 1.954 1.00 0.74 O ATOM 665 CB CYS A 69 15.696 6.062 3.192 1.00 0.38 C ATOM 666 SG CYS A 69 16.914 5.464 4.413 1.00 0.38 S ATOM 0 H CYS A 69 13.242 5.896 4.585 1.00 0.36 H new ATOM 0 HA CYS A 69 15.271 7.979 4.107 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.123 5.212 2.822 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.230 6.482 2.340 1.00 0.38 H new ATOM 671 N ILE A 70 12.699 6.939 2.345 1.00 0.25 N ATOM 672 CA ILE A 70 11.779 7.357 1.280 1.00 0.22 C ATOM 673 C ILE A 70 10.597 8.110 1.879 1.00 0.23 C ATOM 674 O ILE A 70 10.226 7.876 3.024 1.00 0.27 O ATOM 675 CB ILE A 70 11.293 6.154 0.426 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.465 6.609 -0.777 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.482 5.176 1.257 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.451 5.588 -1.883 1.00 0.23 C ATOM 0 H ILE A 70 12.409 6.103 2.852 1.00 0.25 H new ATOM 0 HA ILE A 70 12.323 8.023 0.610 1.00 0.22 H new ATOM 0 HB ILE A 70 12.189 5.652 0.061 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.442 6.808 -0.457 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.868 7.548 -1.158 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.158 4.346 0.629 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.096 4.795 2.073 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.609 5.684 1.667 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.850 5.959 -2.713 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.470 5.408 -2.225 1.00 0.23 H new ATOM 0 HD13 ILE A 70 10.023 4.657 -1.513 1.00 0.23 H new ATOM 690 N SER A 71 10.042 9.034 1.120 1.00 0.24 N ATOM 691 CA SER A 71 8.942 9.864 1.580 1.00 0.28 C ATOM 692 C SER A 71 8.209 10.456 0.386 1.00 0.29 C ATOM 693 O SER A 71 8.734 11.337 -0.292 1.00 0.39 O ATOM 694 CB SER A 71 9.474 10.989 2.473 1.00 0.42 C ATOM 695 OG SER A 71 9.976 10.479 3.702 1.00 1.12 O ATOM 0 H SER A 71 10.340 9.232 0.165 1.00 0.24 H new ATOM 0 HA SER A 71 8.250 9.250 2.156 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.264 11.528 1.951 1.00 0.42 H new ATOM 0 HB3 SER A 71 8.677 11.706 2.672 1.00 0.42 H new ATOM 0 HG SER A 71 10.003 9.500 3.663 1.00 1.12 H new ATOM 701 N GLY A 72 7.015 9.961 0.106 1.00 0.30 N ATOM 702 CA GLY A 72 6.290 10.447 -1.043 1.00 0.42 C ATOM 703 C GLY A 72 4.798 10.511 -0.832 1.00 0.31 C ATOM 704 O GLY A 72 4.226 9.741 -0.055 1.00 0.40 O ATOM 0 H GLY A 72 6.540 9.239 0.648 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.655 11.442 -1.299 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.501 9.801 -1.895 1.00 0.42 H new ATOM 708 N LYS A 73 4.176 11.438 -1.535 1.00 0.24 N ATOM 709 CA LYS A 73 2.743 11.602 -1.510 1.00 0.23 C ATOM 710 C LYS A 73 2.148 11.035 -2.788 1.00 0.21 C ATOM 711 O LYS A 73 2.871 10.748 -3.736 1.00 0.27 O ATOM 712 CB LYS A 73 2.399 13.084 -1.382 1.00 0.35 C ATOM 713 CG LYS A 73 2.918 13.930 -2.517 1.00 1.00 C ATOM 714 CD LYS A 73 1.827 14.800 -3.097 1.00 0.70 C ATOM 715 CE LYS A 73 0.934 13.998 -4.015 1.00 0.43 C ATOM 716 NZ LYS A 73 0.113 14.868 -4.894 1.00 0.64 N ATOM 0 H LYS A 73 4.658 12.101 -2.142 1.00 0.24 H new ATOM 0 HA LYS A 73 2.328 11.068 -0.655 1.00 0.23 H new ATOM 0 HB2 LYS A 73 1.316 13.192 -1.326 1.00 0.35 H new ATOM 0 HB3 LYS A 73 2.806 13.462 -0.444 1.00 0.35 H new ATOM 0 HG2 LYS A 73 3.736 14.557 -2.162 1.00 1.00 H new ATOM 0 HG3 LYS A 73 3.326 13.286 -3.296 1.00 1.00 H new ATOM 0 HD2 LYS A 73 1.234 15.233 -2.292 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.271 15.630 -3.647 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.546 13.337 -4.629 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.278 13.363 -3.419 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 -0.484 14.277 -5.507 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.490 15.481 -4.310 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 0.738 15.456 -5.482 1.00 0.64 H new ATOM 730 N ALA A 74 0.839 10.878 -2.805 1.00 0.21 N ATOM 731 CA ALA A 74 0.135 10.399 -3.980 1.00 0.22 C ATOM 732 C ALA A 74 -1.333 10.730 -3.863 1.00 0.26 C ATOM 733 O ALA A 74 -1.853 10.812 -2.767 1.00 0.41 O ATOM 734 CB ALA A 74 0.314 8.896 -4.132 1.00 0.23 C ATOM 0 H ALA A 74 0.234 11.078 -2.008 1.00 0.21 H new ATOM 0 HA ALA A 74 0.549 10.890 -4.861 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.221 8.554 -5.018 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.374 8.664 -4.236 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.083 8.391 -3.251 1.00 0.23 H new ATOM 740 N VAL A 75 -1.999 10.959 -4.969 1.00 0.28 N ATOM 741 CA VAL A 75 -3.436 11.072 -4.936 1.00 0.33 C ATOM 742 C VAL A 75 -4.055 9.794 -5.465 1.00 0.29 C ATOM 743 O VAL A 75 -3.584 9.223 -6.452 1.00 0.29 O ATOM 744 CB VAL A 75 -3.931 12.292 -5.721 1.00 0.43 C ATOM 745 CG1 VAL A 75 -3.669 12.155 -7.211 1.00 0.81 C ATOM 746 CG2 VAL A 75 -5.395 12.561 -5.429 1.00 0.80 C ATOM 0 H VAL A 75 -1.576 11.069 -5.891 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.746 11.219 -3.902 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.358 13.156 -5.384 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -4.036 13.042 -7.728 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -2.598 12.051 -7.384 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -4.185 11.274 -7.592 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -5.725 13.431 -5.997 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -5.989 11.693 -5.717 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -5.524 12.752 -4.364 1.00 0.80 H new ATOM 756 N TYR A 76 -5.090 9.335 -4.798 1.00 0.29 N ATOM 757 CA TYR A 76 -5.656 8.035 -5.116 1.00 0.25 C ATOM 758 C TYR A 76 -6.895 8.149 -5.985 1.00 0.29 C ATOM 759 O TYR A 76 -7.599 9.159 -5.975 1.00 0.42 O ATOM 760 CB TYR A 76 -5.946 7.202 -3.854 1.00 0.29 C ATOM 761 CG TYR A 76 -6.787 7.878 -2.785 1.00 0.38 C ATOM 762 CD1 TYR A 76 -8.136 8.154 -2.986 1.00 0.46 C ATOM 763 CD2 TYR A 76 -6.228 8.216 -1.558 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.899 8.752 -1.999 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.987 8.807 -0.565 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.320 9.072 -0.791 1.00 0.64 C ATOM 767 OH TYR A 76 -9.073 9.668 0.195 1.00 0.75 O ATOM 0 H TYR A 76 -5.556 9.833 -4.039 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.896 7.506 -5.691 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.450 6.284 -4.157 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.994 6.911 -3.409 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.595 7.897 -3.929 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -5.183 8.013 -1.377 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.943 8.967 -2.175 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.537 9.060 0.384 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.968 9.866 -0.151 1.00 0.75 H new ATOM 777 N SER A 77 -7.126 7.102 -6.756 1.00 0.25 N ATOM 778 CA SER A 77 -8.285 7.006 -7.622 1.00 0.29 C ATOM 779 C SER A 77 -8.702 5.548 -7.734 1.00 0.23 C ATOM 780 O SER A 77 -7.868 4.651 -7.589 1.00 0.26 O ATOM 781 CB SER A 77 -7.969 7.596 -8.996 1.00 0.39 C ATOM 782 OG SER A 77 -6.698 7.164 -9.458 1.00 0.98 O ATOM 0 H SER A 77 -6.510 6.290 -6.799 1.00 0.25 H new ATOM 0 HA SER A 77 -9.111 7.578 -7.198 1.00 0.29 H new ATOM 0 HB2 SER A 77 -8.739 7.299 -9.708 1.00 0.39 H new ATOM 0 HB3 SER A 77 -7.989 8.684 -8.941 1.00 0.39 H new ATOM 0 HG SER A 77 -6.520 7.554 -10.339 1.00 0.98 H new ATOM 788 N PHE A 78 -9.983 5.310 -7.964 1.00 0.20 N ATOM 789 CA PHE A 78 -10.500 3.953 -8.038 1.00 0.20 C ATOM 790 C PHE A 78 -11.091 3.669 -9.408 1.00 0.22 C ATOM 791 O PHE A 78 -11.837 4.482 -9.957 1.00 0.28 O ATOM 792 CB PHE A 78 -11.566 3.723 -6.964 1.00 0.24 C ATOM 793 CG PHE A 78 -11.034 3.778 -5.564 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.405 2.680 -5.003 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.166 4.931 -4.809 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.918 2.730 -3.712 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.681 4.988 -3.519 1.00 0.47 C ATOM 798 CZ PHE A 78 -10.045 3.871 -2.972 1.00 0.50 C ATOM 0 H PHE A 78 -10.684 6.038 -8.103 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.666 3.272 -7.867 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.349 4.473 -7.075 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -12.031 2.751 -7.128 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.294 1.775 -5.581 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.654 5.795 -5.235 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.435 1.863 -3.286 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.792 5.890 -2.936 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.654 3.910 -1.966 1.00 0.50 H new ATOM 808 N ASN A 79 -10.753 2.516 -9.961 1.00 0.21 N ATOM 809 CA ASN A 79 -11.332 2.085 -11.222 1.00 0.23 C ATOM 810 C ASN A 79 -11.678 0.607 -11.145 1.00 0.26 C ATOM 811 O ASN A 79 -10.789 -0.238 -11.085 1.00 0.31 O ATOM 812 CB ASN A 79 -10.370 2.343 -12.382 1.00 0.31 C ATOM 813 CG ASN A 79 -11.035 2.158 -13.733 1.00 0.45 C ATOM 814 OD1 ASN A 79 -12.244 2.349 -13.876 1.00 0.77 O ATOM 815 ND2 ASN A 79 -10.252 1.798 -14.737 1.00 0.59 N ATOM 0 H ASN A 79 -10.082 1.863 -9.557 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.240 2.660 -11.403 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.979 3.358 -12.308 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.519 1.667 -12.303 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.645 1.669 -15.669 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -9.255 1.649 -14.579 1.00 0.59 H new ATOM 822 N ALA A 80 -12.975 0.309 -11.126 1.00 0.28 N ATOM 823 CA ALA A 80 -13.466 -1.061 -10.996 1.00 0.38 C ATOM 824 C ALA A 80 -12.899 -1.732 -9.745 1.00 0.46 C ATOM 825 O ALA A 80 -12.519 -2.906 -9.769 1.00 0.95 O ATOM 826 CB ALA A 80 -13.133 -1.872 -12.243 1.00 0.45 C ATOM 0 H ALA A 80 -13.714 1.008 -11.200 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.550 -1.022 -10.892 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.507 -2.889 -12.126 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.601 -1.411 -13.113 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -12.052 -1.897 -12.383 1.00 0.45 H new ATOM 832 N GLY A 81 -12.826 -0.972 -8.657 1.00 0.24 N ATOM 833 CA GLY A 81 -12.329 -1.504 -7.404 1.00 0.21 C ATOM 834 C GLY A 81 -10.815 -1.447 -7.292 1.00 0.21 C ATOM 835 O GLY A 81 -10.254 -1.744 -6.241 1.00 0.31 O ATOM 0 H GLY A 81 -13.104 0.009 -8.623 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.770 -0.945 -6.578 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.657 -2.538 -7.300 1.00 0.21 H new ATOM 839 N LYS A 82 -10.151 -1.069 -8.373 1.00 0.19 N ATOM 840 CA LYS A 82 -8.701 -0.978 -8.377 1.00 0.20 C ATOM 841 C LYS A 82 -8.242 0.333 -7.753 1.00 0.20 C ATOM 842 O LYS A 82 -8.668 1.413 -8.170 1.00 0.26 O ATOM 843 CB LYS A 82 -8.172 -1.112 -9.803 1.00 0.23 C ATOM 844 CG LYS A 82 -8.387 -2.495 -10.388 1.00 0.26 C ATOM 845 CD LYS A 82 -7.549 -3.528 -9.660 1.00 0.23 C ATOM 846 CE LYS A 82 -7.858 -4.937 -10.136 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.820 -5.913 -9.710 1.00 1.32 N ATOM 0 H LYS A 82 -10.593 -0.821 -9.258 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.299 -1.795 -7.778 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.664 -0.375 -10.438 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -7.107 -0.881 -9.813 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.441 -2.763 -10.320 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -8.127 -2.491 -11.447 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.492 -3.315 -9.816 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -7.734 -3.457 -8.588 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -8.828 -5.246 -9.746 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -7.936 -4.943 -11.223 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -6.369 -6.329 -10.550 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.102 -5.427 -9.136 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -7.263 -6.666 -9.146 1.00 1.32 H new ATOM 861 N PHE A 83 -7.377 0.221 -6.759 1.00 0.16 N ATOM 862 CA PHE A 83 -6.881 1.367 -6.014 1.00 0.16 C ATOM 863 C PHE A 83 -5.560 1.852 -6.602 1.00 0.16 C ATOM 864 O PHE A 83 -4.595 1.094 -6.712 1.00 0.17 O ATOM 865 CB PHE A 83 -6.750 0.968 -4.531 1.00 0.15 C ATOM 866 CG PHE A 83 -5.731 1.730 -3.728 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.037 2.961 -3.172 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.469 1.191 -3.507 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.105 3.643 -2.415 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.533 1.870 -2.750 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.854 3.096 -2.205 1.00 0.22 C ATOM 0 H PHE A 83 -6.997 -0.672 -6.444 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.579 2.201 -6.088 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.723 1.091 -4.055 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.503 -0.092 -4.482 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.014 3.392 -3.332 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.217 0.231 -3.932 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.354 4.603 -1.988 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.555 1.443 -2.586 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.125 3.630 -1.613 1.00 0.22 H new ATOM 881 N MET A 84 -5.538 3.115 -7.006 1.00 0.19 N ATOM 882 CA MET A 84 -4.391 3.679 -7.700 1.00 0.19 C ATOM 883 C MET A 84 -3.872 4.917 -6.996 1.00 0.24 C ATOM 884 O MET A 84 -4.551 5.477 -6.136 1.00 0.44 O ATOM 885 CB MET A 84 -4.777 4.032 -9.132 1.00 0.22 C ATOM 886 CG MET A 84 -5.501 2.914 -9.832 1.00 0.21 C ATOM 887 SD MET A 84 -6.003 3.323 -11.504 1.00 0.25 S ATOM 888 CE MET A 84 -6.587 1.715 -12.000 1.00 0.23 C ATOM 0 H MET A 84 -6.306 3.770 -6.863 1.00 0.19 H new ATOM 0 HA MET A 84 -3.599 2.931 -7.703 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.409 4.920 -9.125 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.878 4.285 -9.694 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.856 2.035 -9.859 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.383 2.644 -9.252 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.240 1.817 -12.866 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.737 1.083 -12.258 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.141 1.260 -11.179 1.00 0.23 H new ATOM 898 N GLY A 85 -2.677 5.353 -7.379 1.00 0.19 N ATOM 899 CA GLY A 85 -2.076 6.512 -6.755 1.00 0.23 C ATOM 900 C GLY A 85 -0.984 7.149 -7.592 1.00 0.30 C ATOM 901 O GLY A 85 -0.006 6.495 -7.937 1.00 0.61 O ATOM 0 H GLY A 85 -2.114 4.922 -8.112 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.851 7.252 -6.559 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.661 6.221 -5.790 1.00 0.23 H new ATOM 905 N ASN A 86 -1.148 8.424 -7.919 1.00 0.27 N ATOM 906 CA ASN A 86 -0.106 9.168 -8.624 1.00 0.30 C ATOM 907 C ASN A 86 0.872 9.749 -7.608 1.00 0.24 C ATOM 908 O ASN A 86 0.504 10.616 -6.818 1.00 0.23 O ATOM 909 CB ASN A 86 -0.717 10.288 -9.469 1.00 0.41 C ATOM 910 CG ASN A 86 0.329 11.094 -10.211 1.00 0.58 C ATOM 911 OD1 ASN A 86 0.862 12.076 -9.693 1.00 1.51 O ATOM 912 ND2 ASN A 86 0.625 10.689 -11.432 1.00 0.93 N ATOM 0 H ASN A 86 -1.987 8.965 -7.710 1.00 0.27 H new ATOM 0 HA ASN A 86 0.423 8.490 -9.294 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.415 9.857 -10.187 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -1.292 10.952 -8.824 1.00 0.41 H new ATOM 0 HD21 ASN A 86 1.318 11.195 -11.983 1.00 0.93 H new ATOM 0 HD22 ASN A 86 0.160 9.870 -11.824 1.00 0.93 H new ATOM 919 N PHE A 87 2.117 9.290 -7.654 1.00 0.23 N ATOM 920 CA PHE A 87 3.068 9.551 -6.579 1.00 0.20 C ATOM 921 C PHE A 87 4.007 10.708 -6.859 1.00 0.22 C ATOM 922 O PHE A 87 4.268 11.083 -8.005 1.00 0.30 O ATOM 923 CB PHE A 87 3.899 8.305 -6.279 1.00 0.24 C ATOM 924 CG PHE A 87 3.220 7.333 -5.363 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.413 6.328 -5.866 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.392 7.431 -3.991 1.00 0.23 C ATOM 927 CE1 PHE A 87 1.786 5.435 -5.018 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.770 6.545 -3.137 1.00 0.27 C ATOM 929 CZ PHE A 87 1.963 5.543 -3.648 1.00 0.28 C ATOM 0 H PHE A 87 2.492 8.735 -8.424 1.00 0.23 H new ATOM 0 HA PHE A 87 2.460 9.826 -5.717 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.135 7.802 -7.217 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.846 8.610 -5.833 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.272 6.240 -6.933 1.00 0.23 H new ATOM 0 HD2 PHE A 87 4.021 8.210 -3.586 1.00 0.23 H new ATOM 0 HE1 PHE A 87 1.159 4.654 -5.422 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.912 6.633 -2.070 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.473 4.848 -2.982 1.00 0.28 H new ATOM 939 N ASN A 88 4.500 11.253 -5.764 1.00 0.21 N ATOM 940 CA ASN A 88 5.522 12.279 -5.757 1.00 0.26 C ATOM 941 C ASN A 88 6.504 11.960 -4.641 1.00 0.27 C ATOM 942 O ASN A 88 6.462 12.566 -3.568 1.00 0.42 O ATOM 943 CB ASN A 88 4.915 13.657 -5.509 1.00 0.34 C ATOM 944 CG ASN A 88 4.065 14.162 -6.659 1.00 1.15 C ATOM 945 OD1 ASN A 88 2.861 13.913 -6.718 1.00 2.02 O ATOM 946 ND2 ASN A 88 4.686 14.889 -7.570 1.00 1.66 N ATOM 0 H ASN A 88 4.191 10.986 -4.829 1.00 0.21 H new ATOM 0 HA ASN A 88 6.020 12.296 -6.727 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.305 13.619 -4.607 1.00 0.34 H new ATOM 0 HB3 ASN A 88 5.718 14.370 -5.321 1.00 0.34 H new ATOM 0 HD21 ASN A 88 4.166 15.268 -8.361 1.00 1.66 H new ATOM 0 HD22 ASN A 88 5.686 15.071 -7.482 1.00 1.66 H new ATOM 953 N VAL A 89 7.363 10.987 -4.882 1.00 0.24 N ATOM 954 CA VAL A 89 8.213 10.451 -3.829 1.00 0.24 C ATOM 955 C VAL A 89 9.596 11.083 -3.832 1.00 0.30 C ATOM 956 O VAL A 89 10.155 11.410 -4.882 1.00 0.34 O ATOM 957 CB VAL A 89 8.394 8.916 -3.932 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.501 8.303 -2.560 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.267 8.260 -4.729 1.00 0.25 C ATOM 0 H VAL A 89 7.492 10.551 -5.795 1.00 0.24 H new ATOM 0 HA VAL A 89 7.695 10.694 -2.901 1.00 0.24 H new ATOM 0 HB VAL A 89 9.323 8.732 -4.472 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.628 7.224 -2.652 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.360 8.726 -2.038 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.593 8.515 -1.995 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.434 7.184 -4.776 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.313 8.458 -4.241 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.250 8.669 -5.739 1.00 0.25 H new ATOM 969 N LYS A 90 10.116 11.270 -2.635 1.00 0.33 N ATOM 970 CA LYS A 90 11.502 11.612 -2.409 1.00 0.41 C ATOM 971 C LYS A 90 12.190 10.395 -1.807 1.00 0.33 C ATOM 972 O LYS A 90 11.728 9.860 -0.798 1.00 0.35 O ATOM 973 CB LYS A 90 11.586 12.818 -1.472 1.00 0.54 C ATOM 974 CG LYS A 90 12.966 13.072 -0.895 1.00 0.99 C ATOM 975 CD LYS A 90 13.170 12.325 0.418 1.00 1.48 C ATOM 976 CE LYS A 90 14.591 12.467 0.937 1.00 2.27 C ATOM 977 NZ LYS A 90 14.787 11.753 2.228 1.00 2.81 N ATOM 0 H LYS A 90 9.573 11.186 -1.776 1.00 0.33 H new ATOM 0 HA LYS A 90 11.997 11.883 -3.342 1.00 0.41 H new ATOM 0 HB2 LYS A 90 11.264 13.707 -2.015 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.884 12.674 -0.651 1.00 0.54 H new ATOM 0 HG2 LYS A 90 13.724 12.761 -1.613 1.00 0.99 H new ATOM 0 HG3 LYS A 90 13.102 14.141 -0.731 1.00 0.99 H new ATOM 0 HD2 LYS A 90 12.472 12.705 1.164 1.00 1.48 H new ATOM 0 HD3 LYS A 90 12.940 11.269 0.274 1.00 1.48 H new ATOM 0 HE2 LYS A 90 15.288 12.075 0.196 1.00 2.27 H new ATOM 0 HE3 LYS A 90 14.825 13.523 1.068 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 15.778 11.847 2.530 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 14.164 12.166 2.951 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 14.556 10.746 2.106 1.00 2.81 H new ATOM 991 N GLU A 91 13.263 9.937 -2.419 1.00 0.41 N ATOM 992 CA GLU A 91 13.909 8.726 -1.958 1.00 0.44 C ATOM 993 C GLU A 91 15.408 8.704 -2.256 1.00 0.46 C ATOM 994 O GLU A 91 15.888 9.270 -3.237 1.00 0.62 O ATOM 995 CB GLU A 91 13.192 7.499 -2.530 1.00 0.72 C ATOM 996 CG GLU A 91 13.440 7.190 -3.994 1.00 0.52 C ATOM 997 CD GLU A 91 13.060 8.312 -4.942 1.00 1.20 C ATOM 998 OE1 GLU A 91 11.905 8.334 -5.408 1.00 1.57 O ATOM 999 OE2 GLU A 91 13.920 9.162 -5.245 1.00 1.68 O ATOM 0 H GLU A 91 13.702 10.379 -3.227 1.00 0.41 H new ATOM 0 HA GLU A 91 13.828 8.700 -0.871 1.00 0.44 H new ATOM 0 HB2 GLU A 91 13.485 6.628 -1.943 1.00 0.72 H new ATOM 0 HB3 GLU A 91 12.120 7.633 -2.387 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.496 6.957 -4.130 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.879 6.296 -4.265 1.00 0.52 H new ATOM 1006 N VAL A 92 16.130 8.079 -1.340 1.00 0.45 N ATOM 1007 CA VAL A 92 17.578 7.944 -1.398 1.00 0.43 C ATOM 1008 C VAL A 92 17.958 6.682 -2.155 1.00 0.41 C ATOM 1009 O VAL A 92 17.127 5.813 -2.385 1.00 0.40 O ATOM 1010 CB VAL A 92 18.186 7.863 0.020 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.821 9.072 0.841 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.744 6.608 0.720 1.00 0.40 C ATOM 0 H VAL A 92 15.717 7.641 -0.516 1.00 0.45 H new ATOM 0 HA VAL A 92 17.969 8.823 -1.910 1.00 0.43 H new ATOM 0 HB VAL A 92 19.270 7.839 -0.088 1.00 0.44 H new ATOM 0 HG11 VAL A 92 18.264 8.985 1.833 1.00 0.53 H new ATOM 0 HG12 VAL A 92 18.198 9.971 0.353 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.737 9.136 0.932 1.00 0.53 H new ATOM 0 HG21 VAL A 92 18.184 6.573 1.716 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.657 6.601 0.803 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.069 5.739 0.149 1.00 0.40 H new ATOM 1022 N ASP A 93 19.194 6.604 -2.581 1.00 0.44 N ATOM 1023 CA ASP A 93 19.726 5.360 -3.105 1.00 0.45 C ATOM 1024 C ASP A 93 20.655 4.757 -2.066 1.00 0.46 C ATOM 1025 O ASP A 93 21.211 5.478 -1.240 1.00 0.57 O ATOM 1026 CB ASP A 93 20.479 5.569 -4.414 1.00 0.56 C ATOM 1027 CG ASP A 93 19.576 5.891 -5.588 1.00 1.17 C ATOM 1028 OD1 ASP A 93 19.046 4.946 -6.210 1.00 1.78 O ATOM 1029 OD2 ASP A 93 19.413 7.086 -5.913 1.00 1.83 O ATOM 0 H ASP A 93 19.853 7.382 -2.578 1.00 0.44 H new ATOM 0 HA ASP A 93 18.894 4.688 -3.315 1.00 0.45 H new ATOM 0 HB2 ASP A 93 21.197 6.379 -4.285 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.051 4.670 -4.642 1.00 0.56 H new ATOM 1034 N GLY A 94 20.812 3.447 -2.084 1.00 0.42 N ATOM 1035 CA GLY A 94 21.640 2.803 -1.085 1.00 0.43 C ATOM 1036 C GLY A 94 20.818 2.275 0.075 1.00 0.40 C ATOM 1037 O GLY A 94 21.038 1.162 0.546 1.00 0.48 O ATOM 0 H GLY A 94 20.386 2.819 -2.766 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.190 1.981 -1.544 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.379 3.513 -0.713 1.00 0.43 H new ATOM 1041 N CYS A 95 19.842 3.063 0.508 1.00 0.33 N ATOM 1042 CA CYS A 95 18.942 2.660 1.587 1.00 0.31 C ATOM 1043 C CYS A 95 17.922 1.693 1.014 1.00 0.27 C ATOM 1044 O CYS A 95 17.345 0.864 1.715 1.00 0.32 O ATOM 1045 CB CYS A 95 18.253 3.894 2.175 1.00 0.33 C ATOM 1046 SG CYS A 95 17.397 3.603 3.760 1.00 0.42 S ATOM 0 H CYS A 95 19.651 3.990 0.128 1.00 0.33 H new ATOM 0 HA CYS A 95 19.497 2.173 2.389 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.998 4.676 2.318 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.531 4.270 1.451 1.00 0.33 H new ATOM 1051 N PHE A 96 17.722 1.828 -0.284 1.00 0.24 N ATOM 1052 CA PHE A 96 16.920 0.898 -1.057 1.00 0.23 C ATOM 1053 C PHE A 96 17.844 0.199 -2.044 1.00 0.24 C ATOM 1054 O PHE A 96 17.413 -0.243 -3.109 1.00 0.23 O ATOM 1055 CB PHE A 96 15.809 1.636 -1.823 1.00 0.24 C ATOM 1056 CG PHE A 96 15.141 2.718 -1.029 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.762 3.927 -0.909 1.00 0.30 C ATOM 1058 CD2 PHE A 96 13.924 2.535 -0.399 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.204 4.946 -0.175 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.355 3.550 0.334 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.002 4.755 0.449 1.00 0.31 C ATOM 0 H PHE A 96 18.114 2.591 -0.835 1.00 0.24 H new ATOM 0 HA PHE A 96 16.445 0.179 -0.390 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.232 2.071 -2.728 1.00 0.24 H new ATOM 0 HB3 PHE A 96 15.057 0.913 -2.139 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.710 4.086 -1.400 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.415 1.586 -0.483 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.713 5.895 -0.091 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.401 3.399 0.818 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.563 5.551 1.031 1.00 0.31 H new ATOM 1071 N MET A 97 19.126 0.124 -1.667 1.00 0.27 N ATOM 1072 CA MET A 97 20.183 -0.417 -2.516 1.00 0.29 C ATOM 1073 C MET A 97 19.949 -0.071 -3.982 1.00 0.31 C ATOM 1074 O MET A 97 19.942 1.105 -4.355 1.00 0.40 O ATOM 1075 CB MET A 97 20.301 -1.930 -2.320 1.00 0.29 C ATOM 1076 CG MET A 97 20.700 -2.323 -0.908 1.00 0.33 C ATOM 1077 SD MET A 97 21.358 -4.000 -0.807 1.00 0.45 S ATOM 1078 CE MET A 97 19.961 -4.960 -1.390 1.00 1.22 C ATOM 0 H MET A 97 19.457 0.441 -0.756 1.00 0.27 H new ATOM 0 HA MET A 97 21.125 0.043 -2.219 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.347 -2.397 -2.564 1.00 0.29 H new ATOM 0 HB3 MET A 97 21.037 -2.324 -3.021 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.448 -1.622 -0.538 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.832 -2.238 -0.254 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.219 -6.019 -1.383 1.00 1.22 H new ATOM 0 HE2 MET A 97 19.105 -4.791 -0.737 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.708 -4.655 -2.405 1.00 1.22 H new ATOM 1088 N ASP A 98 19.742 -1.093 -4.797 1.00 0.30 N ATOM 1089 CA ASP A 98 19.346 -0.911 -6.184 1.00 0.31 C ATOM 1090 C ASP A 98 18.085 -1.694 -6.460 1.00 0.26 C ATOM 1091 O ASP A 98 17.114 -1.167 -7.000 1.00 0.25 O ATOM 1092 CB ASP A 98 20.455 -1.368 -7.137 1.00 0.40 C ATOM 1093 CG ASP A 98 21.645 -0.431 -7.164 1.00 1.01 C ATOM 1094 OD1 ASP A 98 22.500 -0.528 -6.254 1.00 1.19 O ATOM 1095 OD2 ASP A 98 21.725 0.414 -8.080 1.00 1.64 O ATOM 0 H ASP A 98 19.843 -2.069 -4.517 1.00 0.30 H new ATOM 0 HA ASP A 98 19.165 0.151 -6.352 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.791 -2.362 -6.843 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.047 -1.455 -8.144 1.00 0.40 H new ATOM 1100 N ALA A 99 18.081 -2.938 -6.021 1.00 0.24 N ATOM 1101 CA ALA A 99 16.999 -3.843 -6.336 1.00 0.24 C ATOM 1102 C ALA A 99 15.804 -3.550 -5.455 1.00 0.20 C ATOM 1103 O ALA A 99 14.662 -3.834 -5.811 1.00 0.20 O ATOM 1104 CB ALA A 99 17.438 -5.287 -6.178 1.00 0.28 C ATOM 0 H ALA A 99 18.818 -3.343 -5.444 1.00 0.24 H new ATOM 0 HA ALA A 99 16.713 -3.691 -7.377 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.606 -5.949 -6.421 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.271 -5.490 -6.851 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.752 -5.461 -5.149 1.00 0.28 H new ATOM 1110 N GLN A 100 16.087 -2.974 -4.303 1.00 0.18 N ATOM 1111 CA GLN A 100 15.052 -2.601 -3.361 1.00 0.16 C ATOM 1112 C GLN A 100 14.291 -1.411 -3.908 1.00 0.14 C ATOM 1113 O GLN A 100 13.075 -1.310 -3.774 1.00 0.13 O ATOM 1114 CB GLN A 100 15.662 -2.242 -2.018 1.00 0.19 C ATOM 1115 CG GLN A 100 16.745 -3.196 -1.569 1.00 0.23 C ATOM 1116 CD GLN A 100 17.067 -3.035 -0.106 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.906 -2.224 0.278 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.398 -3.808 0.718 1.00 1.27 N ATOM 0 H GLN A 100 17.034 -2.753 -3.996 1.00 0.18 H new ATOM 0 HA GLN A 100 14.375 -3.444 -3.221 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.077 -1.236 -2.075 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.874 -2.220 -1.265 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.427 -4.221 -1.760 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.645 -3.026 -2.159 1.00 0.23 H new ATOM 0 HE21 GLN A 100 15.710 -4.467 0.354 1.00 1.27 H new ATOM 0 HE22 GLN A 100 16.566 -3.749 1.722 1.00 1.27 H new ATOM 1127 N LYS A 101 15.036 -0.504 -4.521 1.00 0.16 N ATOM 1128 CA LYS A 101 14.452 0.639 -5.199 1.00 0.17 C ATOM 1129 C LYS A 101 13.606 0.172 -6.372 1.00 0.17 C ATOM 1130 O LYS A 101 12.487 0.636 -6.555 1.00 0.17 O ATOM 1131 CB LYS A 101 15.535 1.607 -5.676 1.00 0.23 C ATOM 1132 CG LYS A 101 14.966 2.846 -6.322 1.00 0.28 C ATOM 1133 CD LYS A 101 16.033 3.893 -6.586 1.00 0.50 C ATOM 1134 CE LYS A 101 15.427 5.242 -6.944 1.00 1.21 C ATOM 1135 NZ LYS A 101 14.561 5.169 -8.151 1.00 1.85 N ATOM 0 H LYS A 101 16.055 -0.540 -4.562 1.00 0.16 H new ATOM 0 HA LYS A 101 13.816 1.169 -4.491 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.156 1.897 -4.828 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.184 1.097 -6.387 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.484 2.576 -7.261 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.195 3.269 -5.678 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.663 4.001 -5.703 1.00 0.50 H new ATOM 0 HD3 LYS A 101 16.678 3.558 -7.398 1.00 0.50 H new ATOM 0 HE2 LYS A 101 14.842 5.610 -6.101 1.00 1.21 H new ATOM 0 HE3 LYS A 101 16.226 5.963 -7.116 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 14.253 6.126 -8.416 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 15.096 4.748 -8.937 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 13.728 4.582 -7.945 1.00 1.85 H new ATOM 1149 N ILE A 102 14.161 -0.730 -7.173 1.00 0.17 N ATOM 1150 CA ILE A 102 13.400 -1.417 -8.211 1.00 0.18 C ATOM 1151 C ILE A 102 12.126 -2.030 -7.643 1.00 0.15 C ATOM 1152 O ILE A 102 11.051 -1.862 -8.202 1.00 0.15 O ATOM 1153 CB ILE A 102 14.243 -2.518 -8.859 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.492 -1.896 -9.466 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.444 -3.268 -9.923 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.538 -2.904 -9.866 1.00 0.25 C ATOM 0 H ILE A 102 15.142 -1.004 -7.123 1.00 0.17 H new ATOM 0 HA ILE A 102 13.131 -0.676 -8.964 1.00 0.18 H new ATOM 0 HB ILE A 102 14.530 -3.241 -8.096 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.208 -1.313 -10.342 1.00 0.23 H new ATOM 0 HG13 ILE A 102 15.926 -1.200 -8.748 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.068 -4.044 -10.367 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.567 -3.725 -9.465 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.126 -2.571 -10.698 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.398 -2.387 -10.290 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.852 -3.470 -8.989 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.122 -3.585 -10.608 1.00 0.25 H new ATOM 1168 N ALA A 103 12.264 -2.736 -6.524 1.00 0.13 N ATOM 1169 CA ALA A 103 11.125 -3.318 -5.815 1.00 0.11 C ATOM 1170 C ALA A 103 10.063 -2.263 -5.534 1.00 0.10 C ATOM 1171 O ALA A 103 8.865 -2.505 -5.662 1.00 0.10 O ATOM 1172 CB ALA A 103 11.588 -3.922 -4.504 1.00 0.11 C ATOM 0 H ALA A 103 13.165 -2.921 -6.083 1.00 0.13 H new ATOM 0 HA ALA A 103 10.692 -4.093 -6.447 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.735 -4.354 -3.981 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.324 -4.701 -4.702 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.038 -3.146 -3.885 1.00 0.11 H new ATOM 1178 N ILE A 104 10.536 -1.090 -5.164 1.00 0.10 N ATOM 1179 CA ILE A 104 9.685 0.033 -4.819 1.00 0.11 C ATOM 1180 C ILE A 104 9.096 0.672 -6.068 1.00 0.12 C ATOM 1181 O ILE A 104 7.940 1.092 -6.081 1.00 0.13 O ATOM 1182 CB ILE A 104 10.504 1.041 -4.000 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.681 0.488 -2.600 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.889 2.431 -3.956 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.255 1.487 -1.647 1.00 0.17 C ATOM 0 H ILE A 104 11.533 -0.887 -5.093 1.00 0.10 H new ATOM 0 HA ILE A 104 8.845 -0.313 -4.217 1.00 0.11 H new ATOM 0 HB ILE A 104 11.468 1.167 -4.492 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.716 0.148 -2.224 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.333 -0.385 -2.639 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.521 3.090 -3.360 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.807 2.825 -4.969 1.00 0.15 H new ATOM 0 HG23 ILE A 104 8.897 2.376 -3.507 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.358 1.032 -0.662 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.234 1.808 -2.003 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.592 2.350 -1.581 1.00 0.17 H new ATOM 1197 N ASP A 105 9.897 0.715 -7.119 1.00 0.13 N ATOM 1198 CA ASP A 105 9.447 1.177 -8.425 1.00 0.16 C ATOM 1199 C ASP A 105 8.333 0.267 -8.923 1.00 0.14 C ATOM 1200 O ASP A 105 7.320 0.720 -9.458 1.00 0.17 O ATOM 1201 CB ASP A 105 10.613 1.158 -9.404 1.00 0.21 C ATOM 1202 CG ASP A 105 10.341 1.945 -10.668 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.338 3.190 -10.609 1.00 0.53 O ATOM 1204 OD2 ASP A 105 10.114 1.321 -11.726 1.00 0.44 O ATOM 0 H ASP A 105 10.876 0.432 -7.093 1.00 0.13 H new ATOM 0 HA ASP A 105 9.070 2.197 -8.344 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.498 1.564 -8.914 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.841 0.125 -9.668 1.00 0.21 H new ATOM 1209 N LYS A 106 8.550 -1.026 -8.727 1.00 0.13 N ATOM 1210 CA LYS A 106 7.550 -2.049 -9.011 1.00 0.13 C ATOM 1211 C LYS A 106 6.288 -1.816 -8.184 1.00 0.12 C ATOM 1212 O LYS A 106 5.182 -1.780 -8.716 1.00 0.14 O ATOM 1213 CB LYS A 106 8.112 -3.426 -8.667 1.00 0.14 C ATOM 1214 CG LYS A 106 9.236 -3.885 -9.562 1.00 0.16 C ATOM 1215 CD LYS A 106 10.125 -4.890 -8.843 1.00 0.18 C ATOM 1216 CE LYS A 106 11.012 -5.656 -9.806 1.00 0.22 C ATOM 1217 NZ LYS A 106 12.085 -6.406 -9.102 1.00 0.29 N ATOM 0 H LYS A 106 9.428 -1.398 -8.365 1.00 0.13 H new ATOM 0 HA LYS A 106 7.300 -1.996 -10.071 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.468 -3.412 -7.637 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.304 -4.156 -8.716 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.826 -4.337 -10.465 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.830 -3.027 -9.876 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.746 -4.368 -8.115 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.503 -5.592 -8.287 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.403 -6.352 -10.384 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.462 -4.961 -10.515 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.327 -7.259 -9.646 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.928 -5.803 -9.011 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.753 -6.681 -8.156 1.00 0.29 H new ATOM 1231 N LEU A 107 6.473 -1.640 -6.880 1.00 0.10 N ATOM 1232 CA LEU A 107 5.365 -1.459 -5.957 1.00 0.11 C ATOM 1233 C LEU A 107 4.558 -0.208 -6.298 1.00 0.10 C ATOM 1234 O LEU A 107 3.330 -0.254 -6.348 1.00 0.11 O ATOM 1235 CB LEU A 107 5.897 -1.422 -4.505 1.00 0.13 C ATOM 1236 CG LEU A 107 5.610 -0.157 -3.686 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.186 -0.147 -3.160 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.599 -0.033 -2.541 1.00 0.15 C ATOM 0 H LEU A 107 7.392 -1.619 -6.437 1.00 0.10 H new ATOM 0 HA LEU A 107 4.684 -2.305 -6.052 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.477 -2.274 -3.970 1.00 0.13 H new ATOM 0 HB3 LEU A 107 6.977 -1.566 -4.537 1.00 0.13 H new ATOM 0 HG LEU A 107 5.726 0.702 -4.347 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.017 0.763 -2.584 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.489 -0.182 -3.997 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.028 -1.015 -2.520 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.382 0.869 -1.969 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.514 -0.904 -1.891 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.612 0.024 -2.940 1.00 0.15 H new ATOM 1250 N PHE A 108 5.247 0.893 -6.556 1.00 0.10 N ATOM 1251 CA PHE A 108 4.582 2.164 -6.822 1.00 0.11 C ATOM 1252 C PHE A 108 3.857 2.182 -8.168 1.00 0.12 C ATOM 1253 O PHE A 108 2.820 2.834 -8.306 1.00 0.14 O ATOM 1254 CB PHE A 108 5.567 3.328 -6.718 1.00 0.12 C ATOM 1255 CG PHE A 108 5.841 3.742 -5.296 1.00 0.12 C ATOM 1256 CD1 PHE A 108 4.956 3.422 -4.280 1.00 0.15 C ATOM 1257 CD2 PHE A 108 6.992 4.450 -4.975 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.213 3.798 -2.975 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.251 4.829 -3.676 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.328 4.512 -2.669 1.00 0.14 C ATOM 0 H PHE A 108 6.266 0.934 -6.587 1.00 0.10 H new ATOM 0 HA PHE A 108 3.818 2.283 -6.054 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.505 3.046 -7.196 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.172 4.181 -7.269 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.055 2.873 -4.510 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.694 4.707 -5.755 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.522 3.522 -2.192 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.157 5.366 -3.435 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.503 4.834 -1.653 1.00 0.14 H new ATOM 1270 N SER A 109 4.383 1.475 -9.158 1.00 0.13 N ATOM 1271 CA SER A 109 3.712 1.380 -10.446 1.00 0.14 C ATOM 1272 C SER A 109 2.494 0.462 -10.347 1.00 0.14 C ATOM 1273 O SER A 109 1.524 0.621 -11.088 1.00 0.16 O ATOM 1274 CB SER A 109 4.690 0.886 -11.509 1.00 0.17 C ATOM 1275 OG SER A 109 5.196 -0.395 -11.187 1.00 1.14 O ATOM 0 H SER A 109 5.263 0.964 -9.096 1.00 0.13 H new ATOM 0 HA SER A 109 3.361 2.370 -10.738 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.190 0.849 -12.477 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.515 1.592 -11.603 1.00 0.17 H new ATOM 0 HG SER A 109 4.977 -0.609 -10.256 1.00 1.14 H new ATOM 1281 N MET A 110 2.554 -0.492 -9.421 1.00 0.13 N ATOM 1282 CA MET A 110 1.441 -1.404 -9.173 1.00 0.14 C ATOM 1283 C MET A 110 0.161 -0.659 -8.854 1.00 0.14 C ATOM 1284 O MET A 110 -0.873 -0.920 -9.469 1.00 0.16 O ATOM 1285 CB MET A 110 1.736 -2.323 -8.002 1.00 0.13 C ATOM 1286 CG MET A 110 2.697 -3.446 -8.297 1.00 0.17 C ATOM 1287 SD MET A 110 2.620 -4.699 -7.013 1.00 0.23 S ATOM 1288 CE MET A 110 2.457 -3.653 -5.572 1.00 0.14 C ATOM 0 H MET A 110 3.367 -0.654 -8.827 1.00 0.13 H new ATOM 0 HA MET A 110 1.315 -1.980 -10.090 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.139 -1.726 -7.184 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.797 -2.752 -7.651 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.458 -3.892 -9.262 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.711 -3.054 -8.369 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.696 -4.227 -4.677 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.142 -2.809 -5.655 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.434 -3.284 -5.504 1.00 0.14 H new ATOM 1298 N LEU A 111 0.223 0.258 -7.885 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.969 0.981 -7.468 1.00 0.15 C ATOM 1300 C LEU A 111 -1.538 1.701 -8.668 1.00 0.17 C ATOM 1301 O LEU A 111 -2.734 1.687 -8.909 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.693 2.034 -6.381 1.00 0.17 C ATOM 1303 CG LEU A 111 0.180 1.635 -5.185 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.084 0.146 -4.878 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.620 2.068 -5.417 1.00 0.15 C ATOM 0 H LEU A 111 1.075 0.511 -7.384 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.658 0.245 -7.053 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.225 2.893 -6.862 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.654 2.371 -5.993 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.198 2.156 -4.305 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.718 -0.091 -4.024 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.949 -0.112 -4.645 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.414 -0.426 -5.745 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.229 1.779 -4.561 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.005 1.586 -6.316 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.659 3.150 -5.541 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.639 2.288 -9.437 1.00 0.19 N ATOM 1318 CA LYS A 112 -1.002 3.112 -10.571 1.00 0.22 C ATOM 1319 C LYS A 112 -1.676 2.288 -11.658 1.00 0.21 C ATOM 1320 O LYS A 112 -2.519 2.794 -12.397 1.00 0.24 O ATOM 1321 CB LYS A 112 0.245 3.781 -11.128 1.00 0.29 C ATOM 1322 CG LYS A 112 0.911 4.734 -10.152 1.00 0.36 C ATOM 1323 CD LYS A 112 2.071 5.441 -10.808 1.00 0.47 C ATOM 1324 CE LYS A 112 2.774 6.365 -9.840 1.00 1.22 C ATOM 1325 NZ LYS A 112 3.910 7.066 -10.488 1.00 1.82 N ATOM 0 H LYS A 112 0.367 2.205 -9.290 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.711 3.869 -10.235 1.00 0.22 H new ATOM 0 HB2 LYS A 112 0.961 3.012 -11.418 1.00 0.29 H new ATOM 0 HB3 LYS A 112 -0.020 4.328 -12.033 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.185 5.466 -9.798 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.261 4.183 -9.279 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.779 4.705 -11.190 1.00 0.47 H new ATOM 0 HD3 LYS A 112 1.713 6.013 -11.664 1.00 0.47 H new ATOM 0 HE2 LYS A 112 2.065 7.097 -9.454 1.00 1.22 H new ATOM 0 HE3 LYS A 112 3.137 5.792 -8.987 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 4.371 7.692 -9.797 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 4.597 6.367 -10.834 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 3.559 7.631 -11.287 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.312 1.013 -11.742 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.890 0.131 -12.737 1.00 0.22 C ATOM 1341 C ASP A 113 -3.215 -0.381 -12.214 1.00 0.21 C ATOM 1342 O ASP A 113 -4.075 -0.862 -12.954 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.931 -1.022 -12.985 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.276 -1.834 -14.217 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.268 -1.266 -15.326 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.519 -3.051 -14.087 1.00 0.46 O ATOM 0 H ASP A 113 -0.622 0.573 -11.134 1.00 0.20 H new ATOM 0 HA ASP A 113 -2.057 0.659 -13.676 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.080 -0.628 -13.089 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.930 -1.678 -12.115 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.348 -0.245 -10.915 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.566 -0.584 -10.232 1.00 0.17 C ATOM 1353 C GLY A 114 -4.373 -1.759 -9.307 1.00 0.15 C ATOM 1354 O GLY A 114 -4.581 -2.909 -9.696 1.00 0.18 O ATOM 0 H GLY A 114 -2.610 0.105 -10.304 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.916 0.276 -9.661 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.341 -0.818 -10.962 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.958 -1.480 -8.085 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.783 -2.517 -7.100 1.00 0.12 C ATOM 1360 C VAL A 115 -5.034 -2.581 -6.240 1.00 0.12 C ATOM 1361 O VAL A 115 -5.524 -1.563 -5.768 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.512 -2.279 -6.238 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.830 -2.063 -4.774 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.531 -3.416 -6.416 1.00 0.14 C ATOM 0 H VAL A 115 -3.737 -0.540 -7.756 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.637 -3.473 -7.603 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.053 -1.357 -6.595 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.905 -1.902 -4.221 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.474 -1.190 -4.666 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.341 -2.941 -4.379 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.647 -3.233 -5.805 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.998 -4.351 -6.107 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.240 -3.485 -7.464 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.588 -3.758 -6.088 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.780 -3.904 -5.290 1.00 0.13 C ATOM 1376 C VAL A 116 -6.461 -4.566 -3.963 1.00 0.10 C ATOM 1377 O VAL A 116 -5.862 -5.639 -3.905 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.895 -4.658 -6.041 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.414 -5.997 -6.554 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -9.135 -4.817 -5.167 1.00 0.23 C ATOM 0 H VAL A 116 -5.237 -4.622 -6.502 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.161 -2.903 -5.089 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.170 -4.057 -6.908 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -8.227 -6.499 -7.078 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.580 -5.846 -7.239 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -7.088 -6.612 -5.715 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.905 -5.352 -5.722 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.878 -5.379 -4.269 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.509 -3.833 -4.884 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.824 -3.870 -2.906 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.645 -4.350 -1.554 1.00 0.11 C ATOM 1392 C LEU A 117 -7.670 -5.443 -1.283 1.00 0.12 C ATOM 1393 O LEU A 117 -8.865 -5.202 -1.409 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.793 -3.173 -0.582 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.566 -2.234 -0.467 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.855 -2.044 -1.798 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -5.984 -0.879 0.075 1.00 0.24 C ATOM 0 H LEU A 117 -7.255 -2.947 -2.963 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.651 -4.775 -1.417 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.654 -2.579 -0.889 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.017 -3.570 0.408 1.00 0.15 H new ATOM 0 HG LEU A 117 -4.869 -2.712 0.221 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.003 -1.378 -1.663 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.507 -3.009 -2.165 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.545 -1.608 -2.520 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.110 -0.232 0.150 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.714 -0.428 -0.597 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.429 -1.003 1.062 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.181 -6.642 -0.949 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.999 -7.854 -0.817 1.00 0.18 C ATOM 1411 C LYS A 118 -7.106 -9.082 -0.951 1.00 0.22 C ATOM 1412 O LYS A 118 -5.944 -8.974 -1.337 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.119 -7.938 -1.877 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.498 -7.547 -1.349 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.591 -7.734 -2.389 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.561 -6.651 -3.448 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.492 -6.951 -4.565 1.00 0.80 N ATOM 0 H LYS A 118 -6.191 -6.801 -0.760 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.473 -7.815 0.164 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.863 -7.289 -2.714 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.164 -8.956 -2.265 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.731 -8.147 -0.469 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.479 -6.505 -1.029 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.476 -8.708 -2.864 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.563 -7.732 -1.897 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.828 -5.695 -2.998 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.548 -6.549 -3.836 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.359 -6.253 -5.324 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -12.297 -7.904 -4.933 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.473 -6.906 -4.221 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.650 -10.241 -0.631 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.914 -11.478 -0.771 1.00 0.38 C ATOM 1433 C GLY A 119 -7.840 -12.641 -1.036 1.00 0.53 C ATOM 1434 O GLY A 119 -9.040 -12.448 -1.229 1.00 0.85 O ATOM 0 H GLY A 119 -8.599 -10.349 -0.273 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -6.198 -11.387 -1.588 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -6.340 -11.667 0.136 1.00 0.38 H new ATOM 1519 N THR A 125 -6.839 -7.707 7.498 1.00 0.54 N ATOM 1520 CA THR A 125 -5.477 -7.379 7.103 1.00 0.40 C ATOM 1521 C THR A 125 -5.477 -7.003 5.625 1.00 0.29 C ATOM 1522 O THR A 125 -6.148 -7.651 4.819 1.00 0.34 O ATOM 1523 CB THR A 125 -4.499 -8.547 7.346 1.00 0.39 C ATOM 1524 OG1 THR A 125 -4.659 -9.055 8.677 1.00 0.51 O ATOM 1525 CG2 THR A 125 -3.060 -8.090 7.146 1.00 0.37 C ATOM 0 HA THR A 125 -5.135 -6.545 7.715 1.00 0.40 H new ATOM 0 HB THR A 125 -4.723 -9.336 6.628 1.00 0.39 H new ATOM 0 HG1 THR A 125 -5.597 -8.973 8.948 1.00 0.51 H new ATOM 0 HG21 THR A 125 -2.385 -8.927 7.322 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.932 -7.728 6.126 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.832 -7.287 7.847 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.749 -5.954 5.268 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.815 -5.426 3.914 1.00 0.15 C ATOM 1535 C ILE A 126 -3.781 -6.095 3.024 1.00 0.14 C ATOM 1536 O ILE A 126 -2.629 -6.248 3.412 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.599 -3.900 3.884 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.143 -3.262 5.173 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.295 -3.317 2.665 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.100 -1.745 5.204 1.00 0.16 C ATOM 0 H ILE A 126 -4.112 -5.457 5.890 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.815 -5.642 3.538 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.532 -3.685 3.822 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.175 -3.584 5.313 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.572 -3.644 6.019 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.144 -2.238 2.641 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.879 -3.762 1.761 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.362 -3.533 2.717 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.504 -1.389 6.152 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.069 -1.408 5.100 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.696 -1.347 4.383 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.192 -6.500 1.832 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.295 -7.174 0.906 1.00 0.12 C ATOM 1554 C LEU A 127 -3.319 -6.467 -0.446 1.00 0.11 C ATOM 1555 O LEU A 127 -4.364 -6.005 -0.887 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.691 -8.646 0.761 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.985 -9.359 2.082 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.555 -10.746 1.831 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.724 -9.441 2.921 1.00 0.20 C ATOM 0 H LEU A 127 -5.142 -6.373 1.483 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.279 -7.134 1.299 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.573 -8.710 0.124 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.888 -9.176 0.248 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.731 -8.783 2.629 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.756 -11.235 2.784 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.482 -10.661 1.264 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.836 -11.338 1.265 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.944 -9.950 3.859 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.960 -9.997 2.377 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.360 -8.435 3.131 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.161 -6.381 -1.081 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.998 -5.617 -2.321 1.00 0.11 C ATOM 1573 C ILE A 128 -1.847 -6.545 -3.533 1.00 0.13 C ATOM 1574 O ILE A 128 -0.864 -7.287 -3.649 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.764 -4.687 -2.230 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.952 -3.647 -1.126 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.487 -4.008 -3.558 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.223 -2.706 -0.981 1.00 0.12 C ATOM 0 H ILE A 128 -1.307 -6.835 -0.758 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.897 -5.015 -2.453 1.00 0.11 H new ATOM 0 HB ILE A 128 0.100 -5.304 -1.982 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.850 -3.065 -1.334 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.117 -4.160 -0.178 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.385 -3.362 -3.461 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.296 -4.764 -4.320 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.351 -3.410 -3.848 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.023 -1.994 -0.180 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.120 -3.278 -0.742 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.375 -2.167 -1.916 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.806 -6.477 -4.449 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.851 -7.375 -5.585 1.00 0.19 C ATOM 1592 C GLU A 129 -3.097 -6.608 -6.885 1.00 0.17 C ATOM 1593 O GLU A 129 -3.900 -5.674 -6.930 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.968 -8.403 -5.369 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.697 -8.768 -6.646 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.793 -9.794 -6.447 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.470 -10.977 -6.223 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.988 -9.420 -6.525 1.00 0.71 O ATOM 0 H GLU A 129 -3.568 -5.800 -4.421 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.889 -7.880 -5.669 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.543 -9.306 -4.930 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.684 -8.006 -4.650 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -5.130 -7.866 -7.078 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.977 -9.153 -7.368 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.404 -7.019 -7.933 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.643 -6.524 -9.281 1.00 0.21 C ATOM 1607 C LYS A 130 -2.061 -7.531 -10.265 1.00 0.29 C ATOM 1608 O LYS A 130 -1.116 -8.239 -9.925 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.116 -5.077 -9.491 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.607 -4.852 -9.342 1.00 0.19 C ATOM 1611 CD LYS A 130 0.160 -5.237 -10.587 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.032 -4.190 -11.666 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.541 -4.604 -12.976 1.00 0.39 N ATOM 0 H LYS A 130 -1.655 -7.709 -7.874 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.715 -6.439 -9.457 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.409 -4.753 -10.490 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.626 -4.425 -8.782 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.420 -3.803 -9.113 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.238 -5.433 -8.497 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.220 -5.338 -10.353 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.181 -6.208 -10.947 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.097 -3.989 -11.787 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.434 -3.257 -11.349 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.661 -3.768 -13.582 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.465 -5.057 -12.823 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 -0.102 -5.277 -13.439 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.664 -7.621 -11.448 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.368 -8.670 -12.439 1.00 0.49 C ATOM 1629 C ASP A 131 -3.046 -9.973 -12.040 1.00 0.47 C ATOM 1630 O ASP A 131 -2.656 -11.051 -12.485 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.862 -8.925 -12.633 1.00 0.55 C ATOM 1632 CG ASP A 131 -0.090 -7.686 -13.013 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -0.587 -6.911 -13.857 1.00 1.03 O ATOM 1634 OD2 ASP A 131 1.031 -7.490 -12.500 1.00 1.13 O ATOM 0 H ASP A 131 -3.381 -6.964 -11.755 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.758 -8.306 -13.390 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.448 -9.334 -11.711 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.725 -9.681 -13.406 1.00 0.55 H new ATOM 1639 N GLY A 132 -4.057 -9.865 -11.186 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.808 -11.033 -10.759 1.00 0.51 C ATOM 1641 C GLY A 132 -4.109 -11.819 -9.666 1.00 0.45 C ATOM 1642 O GLY A 132 -4.506 -12.939 -9.346 1.00 0.52 O ATOM 0 H GLY A 132 -4.372 -8.984 -10.779 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.788 -10.717 -10.402 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.976 -11.684 -11.617 1.00 0.51 H new ATOM 1646 N GLU A 133 -3.068 -11.237 -9.086 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.314 -11.907 -8.040 1.00 0.45 C ATOM 1648 C GLU A 133 -1.805 -10.897 -7.028 1.00 0.33 C ATOM 1649 O GLU A 133 -1.558 -9.733 -7.357 1.00 0.30 O ATOM 1650 CB GLU A 133 -1.135 -12.686 -8.625 1.00 0.54 C ATOM 1651 CG GLU A 133 0.032 -11.801 -9.015 1.00 0.56 C ATOM 1652 CD GLU A 133 1.033 -12.489 -9.917 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.932 -13.179 -9.401 1.00 1.24 O ATOM 1654 OE2 GLU A 133 0.943 -12.315 -11.147 1.00 1.31 O ATOM 0 H GLU A 133 -2.729 -10.305 -9.323 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.983 -12.610 -7.544 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.796 -13.422 -7.896 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -1.472 -13.238 -9.502 1.00 0.54 H new ATOM 0 HG2 GLU A 133 -0.348 -10.912 -9.518 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.540 -11.463 -8.112 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.660 -11.348 -5.801 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.144 -10.508 -4.735 1.00 0.24 C ATOM 1663 C VAL A 134 0.377 -10.567 -4.735 1.00 0.22 C ATOM 1664 O VAL A 134 0.970 -11.636 -4.876 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.700 -10.917 -3.351 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.396 -12.364 -3.069 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.159 -10.022 -2.248 1.00 0.21 C ATOM 0 H VAL A 134 -1.893 -12.298 -5.513 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.474 -9.486 -4.921 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.782 -10.790 -3.372 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.794 -12.636 -2.091 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.857 -12.988 -3.835 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.317 -12.517 -3.077 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.570 -10.337 -1.289 1.00 0.21 H new ATOM 0 HG22 VAL A 134 -0.072 -10.097 -2.219 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.446 -8.989 -2.444 1.00 0.21 H new ATOM 1677 N LYS A 135 1.002 -9.414 -4.621 1.00 0.19 N ATOM 1678 CA LYS A 135 2.453 -9.328 -4.642 1.00 0.21 C ATOM 1679 C LYS A 135 2.953 -8.429 -3.529 1.00 0.17 C ATOM 1680 O LYS A 135 4.158 -8.304 -3.314 1.00 0.18 O ATOM 1681 CB LYS A 135 2.930 -8.811 -5.998 1.00 0.29 C ATOM 1682 CG LYS A 135 2.011 -7.763 -6.594 1.00 0.34 C ATOM 1683 CD LYS A 135 1.236 -8.320 -7.772 1.00 0.29 C ATOM 1684 CE LYS A 135 2.151 -8.529 -8.972 1.00 0.52 C ATOM 1685 NZ LYS A 135 1.428 -9.055 -10.158 1.00 1.03 N ATOM 0 H LYS A 135 0.528 -8.517 -4.512 1.00 0.19 H new ATOM 0 HA LYS A 135 2.860 -10.326 -4.483 1.00 0.21 H new ATOM 0 HB2 LYS A 135 3.929 -8.389 -5.888 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.013 -9.649 -6.690 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.316 -7.409 -5.832 1.00 0.34 H new ATOM 0 HG3 LYS A 135 2.597 -6.902 -6.915 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.773 -9.266 -7.493 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.430 -7.637 -8.038 1.00 0.29 H new ATOM 0 HE2 LYS A 135 2.626 -7.583 -9.231 1.00 0.52 H new ATOM 0 HE3 LYS A 135 2.948 -9.222 -8.700 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 1.752 -10.022 -10.361 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 0.406 -9.065 -9.965 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 1.619 -8.446 -10.979 1.00 1.03 H new ATOM 1699 N LEU A 136 2.020 -7.821 -2.817 1.00 0.14 N ATOM 1700 CA LEU A 136 2.343 -6.948 -1.714 1.00 0.14 C ATOM 1701 C LEU A 136 1.250 -7.062 -0.658 1.00 0.14 C ATOM 1702 O LEU A 136 0.164 -7.546 -0.952 1.00 0.14 O ATOM 1703 CB LEU A 136 2.444 -5.517 -2.227 1.00 0.14 C ATOM 1704 CG LEU A 136 3.578 -4.672 -1.658 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.936 -5.334 -1.873 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.549 -3.299 -2.304 1.00 0.14 C ATOM 0 H LEU A 136 1.020 -7.922 -2.991 1.00 0.14 H new ATOM 0 HA LEU A 136 3.297 -7.231 -1.269 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.553 -5.549 -3.311 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.502 -5.011 -2.016 1.00 0.14 H new ATOM 0 HG LEU A 136 3.433 -4.576 -0.582 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.719 -4.702 -1.454 1.00 0.16 H new ATOM 0 HD12 LEU A 136 4.950 -6.305 -1.378 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.110 -5.468 -2.941 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.358 -2.690 -1.901 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.674 -3.401 -3.382 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.594 -2.818 -2.094 1.00 0.14 H new ATOM 1718 N LYS A 137 1.541 -6.675 0.569 1.00 0.17 N ATOM 1719 CA LYS A 137 0.532 -6.651 1.622 1.00 0.20 C ATOM 1720 C LYS A 137 0.775 -5.481 2.553 1.00 0.18 C ATOM 1721 O LYS A 137 1.865 -4.913 2.575 1.00 0.22 O ATOM 1722 CB LYS A 137 0.554 -7.931 2.467 1.00 0.31 C ATOM 1723 CG LYS A 137 0.832 -9.204 1.694 1.00 0.35 C ATOM 1724 CD LYS A 137 0.551 -10.434 2.530 1.00 0.28 C ATOM 1725 CE LYS A 137 1.374 -10.441 3.810 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.411 -11.786 4.429 1.00 0.76 N ATOM 0 H LYS A 137 2.468 -6.372 0.866 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.435 -6.563 1.127 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.311 -7.823 3.244 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.407 -8.032 2.971 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.217 -9.226 0.794 1.00 0.35 H new ATOM 0 HG3 LYS A 137 1.872 -9.214 1.369 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.510 -10.471 2.778 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.774 -11.329 1.949 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.390 -10.113 3.591 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.953 -9.726 4.517 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 1.980 -11.752 5.299 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 0.443 -12.088 4.660 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 1.835 -12.463 3.763 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.246 -5.121 3.305 1.00 0.18 N ATOM 1741 CA LEU A 138 -0.090 -4.214 4.421 1.00 0.20 C ATOM 1742 C LEU A 138 -0.238 -5.030 5.686 1.00 0.21 C ATOM 1743 O LEU A 138 -1.294 -5.620 5.924 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.109 -3.061 4.396 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.103 -2.144 3.153 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.311 -1.763 2.724 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.858 -2.786 2.004 1.00 0.17 C ATOM 0 H LEU A 138 -1.201 -5.448 3.160 1.00 0.18 H new ATOM 0 HA LEU A 138 0.891 -3.742 4.366 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.107 -3.489 4.496 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.939 -2.440 5.275 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.614 -1.223 3.434 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.264 -1.118 1.847 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.808 -1.234 3.537 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.873 -2.665 2.481 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.840 -2.121 1.140 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.386 -3.733 1.743 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.891 -2.965 2.302 1.00 0.17 H new ATOM 1759 N ILE A 139 0.842 -5.079 6.463 1.00 0.27 N ATOM 1760 CA ILE A 139 0.953 -5.910 7.648 1.00 0.30 C ATOM 1761 C ILE A 139 1.343 -7.343 7.276 1.00 0.37 C ATOM 1762 O ILE A 139 0.911 -7.883 6.254 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.330 -5.953 8.491 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.881 -4.557 8.765 1.00 0.31 C ATOM 1765 CG2 ILE A 139 -0.027 -6.642 9.790 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.261 -4.591 9.360 1.00 0.41 C ATOM 0 H ILE A 139 1.680 -4.528 6.277 1.00 0.27 H new ATOM 0 HA ILE A 139 1.732 -5.446 8.253 1.00 0.30 H new ATOM 0 HB ILE A 139 -1.091 -6.498 7.933 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.209 -4.031 9.443 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.904 -3.989 7.835 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.929 -6.680 10.401 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.320 -7.656 9.592 1.00 0.35 H new ATOM 0 HG23 ILE A 139 0.748 -6.090 10.322 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.607 -3.572 9.536 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.942 -5.092 8.672 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.237 -5.134 10.305 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.334 -7.023 2.674 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.767 -8.167 1.984 1.00 0.33 C ATOM 1849 C GLU B 554 -13.619 -8.743 2.815 1.00 0.35 C ATOM 1850 O GLU B 554 -13.384 -8.286 3.933 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.301 -7.700 0.602 1.00 0.32 C ATOM 1852 CG GLU B 554 -13.996 -8.805 -0.388 1.00 0.29 C ATOM 1853 CD GLU B 554 -15.020 -9.914 -0.384 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -16.006 -9.808 -1.141 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -14.849 -10.888 0.374 1.00 0.63 O ATOM 0 HA GLU B 554 -15.503 -8.961 1.855 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.070 -7.056 0.176 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.407 -7.089 0.726 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.937 -8.379 -1.390 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.016 -9.225 -0.162 1.00 0.29 H new ATOM 1862 N THR B 555 -12.936 -9.748 2.276 1.00 0.33 N ATOM 1863 CA THR B 555 -11.754 -10.338 2.891 1.00 0.35 C ATOM 1864 C THR B 555 -10.792 -9.240 3.355 1.00 0.34 C ATOM 1865 O THR B 555 -10.130 -9.353 4.388 1.00 0.45 O ATOM 1866 CB THR B 555 -11.081 -11.288 1.872 1.00 0.36 C ATOM 1867 OG1 THR B 555 -10.020 -12.020 2.481 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.563 -10.513 0.671 1.00 0.30 C ATOM 0 H THR B 555 -13.192 -10.180 1.388 1.00 0.33 H new ATOM 0 HA THR B 555 -12.039 -10.913 3.772 1.00 0.35 H new ATOM 0 HB THR B 555 -11.835 -11.996 1.529 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.611 -12.615 1.818 1.00 0.45 H new ATOM 0 HG21 THR B 555 -10.094 -11.202 -0.032 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.393 -10.004 0.181 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.830 -9.777 1.001 1.00 0.30 H new ATOM 1876 N THR B 556 -10.764 -8.167 2.590 1.00 0.26 N ATOM 1877 CA THR B 556 -10.062 -6.959 2.961 1.00 0.23 C ATOM 1878 C THR B 556 -10.867 -5.771 2.482 1.00 0.21 C ATOM 1879 O THR B 556 -11.206 -4.869 3.247 1.00 0.22 O ATOM 1880 CB THR B 556 -8.675 -6.882 2.312 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.875 -8.004 2.689 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.985 -5.593 2.701 1.00 0.20 C ATOM 0 H THR B 556 -11.233 -8.111 1.686 1.00 0.26 H new ATOM 0 HA THR B 556 -9.939 -6.959 4.044 1.00 0.23 H new ATOM 0 HB THR B 556 -8.803 -6.901 1.230 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.306 -7.760 3.449 1.00 0.24 H new ATOM 0 HG21 THR B 556 -7.001 -5.551 2.233 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.582 -4.745 2.366 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.874 -5.553 3.785 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.177 -5.821 1.191 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.935 -4.795 0.508 1.00 0.19 C ATOM 1892 C LEU B 557 -11.100 -3.541 0.335 1.00 0.17 C ATOM 1893 O LEU B 557 -9.881 -3.623 0.290 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.233 -4.480 1.241 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.447 -4.355 0.339 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.162 -3.063 0.657 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -14.043 -4.442 -1.136 1.00 0.20 C ATOM 0 H LEU B 557 -10.900 -6.593 0.584 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.197 -5.177 -0.479 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.420 -5.263 1.976 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.108 -3.548 1.793 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.130 -5.184 0.522 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.036 -2.963 0.014 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.478 -3.069 1.700 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.489 -2.223 0.486 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.930 -4.350 -1.762 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.348 -3.636 -1.371 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.563 -5.402 -1.326 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.785 -2.397 0.260 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.167 -1.087 0.027 1.00 0.18 C ATOM 1911 C LEU B 558 -11.133 -0.793 -1.461 1.00 0.19 C ATOM 1912 O LEU B 558 -10.094 -0.490 -2.045 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.772 -0.959 0.670 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.746 -0.790 2.198 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.701 -1.746 2.884 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.343 -1.003 2.725 1.00 0.16 C ATOM 0 H LEU B 558 -12.799 -2.353 0.361 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.784 -0.336 0.520 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.193 -1.846 0.413 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.264 -0.105 0.221 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.069 0.227 2.421 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.654 -1.596 3.963 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.717 -1.558 2.536 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.420 -2.772 2.648 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.339 -0.880 3.808 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.008 -2.009 2.472 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.670 -0.273 2.275 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.312 -0.890 -2.051 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.515 -0.601 -3.464 1.00 0.21 C ATOM 1930 C GLU B 559 -13.223 0.727 -3.613 1.00 0.24 C ATOM 1931 O GLU B 559 -13.362 1.271 -4.707 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.332 -1.708 -4.114 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.562 -2.999 -4.286 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.406 -4.096 -4.895 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.491 -4.383 -4.355 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.979 -4.690 -5.910 1.00 0.38 O ATOM 0 H GLU B 559 -13.161 -1.173 -1.562 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.547 -0.548 -3.961 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.218 -1.900 -3.508 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.680 -1.368 -5.089 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.693 -2.819 -4.919 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.188 -3.328 -3.316 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.671 1.228 -2.482 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.304 2.531 -2.395 1.00 0.31 C ATOM 1945 C ASP B 560 -13.651 3.274 -1.259 1.00 0.25 C ATOM 1946 O ASP B 560 -13.248 2.638 -0.288 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.805 2.430 -2.091 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.535 1.377 -2.895 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.813 1.611 -4.086 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.872 0.321 -2.320 1.00 0.95 O ATOM 0 H ASP B 560 -13.607 0.740 -1.588 1.00 0.25 H new ATOM 0 HA ASP B 560 -14.188 3.036 -3.354 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.935 2.215 -1.030 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.268 3.399 -2.279 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.548 4.588 -1.343 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.948 5.350 -0.260 1.00 0.26 C ATOM 1957 C GLU B 561 -13.724 5.099 1.027 1.00 0.26 C ATOM 1958 O GLU B 561 -13.144 4.783 2.060 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.930 6.843 -0.572 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.162 7.641 0.465 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.375 9.134 0.348 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -11.630 9.782 -0.405 1.00 0.69 O ATOM 1963 OE2 GLU B 561 -13.285 9.666 1.020 1.00 0.68 O ATOM 0 H GLU B 561 -13.866 5.144 -2.137 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.916 5.021 -0.141 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.482 7.001 -1.553 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.954 7.213 -0.626 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.463 7.315 1.461 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.098 7.424 0.366 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.041 5.202 0.930 1.00 0.30 N ATOM 1971 CA LYS B 562 -15.948 4.959 2.050 1.00 0.39 C ATOM 1972 C LYS B 562 -15.611 3.672 2.789 1.00 0.34 C ATOM 1973 O LYS B 562 -15.509 3.658 4.009 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.375 4.859 1.513 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.421 4.526 2.567 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.815 4.457 1.960 1.00 1.73 C ATOM 1977 CE LYS B 562 -19.876 3.484 0.789 1.00 2.39 C ATOM 1978 NZ LYS B 562 -19.654 2.073 1.209 1.00 3.03 N ATOM 0 H LYS B 562 -15.518 5.459 0.066 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.846 5.786 2.752 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.640 5.805 1.042 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.405 4.096 0.735 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -18.178 3.572 3.035 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.401 5.281 3.353 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -20.529 4.151 2.724 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -20.114 5.450 1.623 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -20.848 3.566 0.302 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -19.125 3.762 0.050 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -20.252 1.443 0.638 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -18.654 1.822 1.069 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -19.900 1.967 2.214 1.00 3.03 H new ATOM 1992 N SER B 563 -15.400 2.606 2.038 1.00 0.27 N ATOM 1993 CA SER B 563 -15.138 1.298 2.621 1.00 0.24 C ATOM 1994 C SER B 563 -13.657 1.138 2.942 1.00 0.21 C ATOM 1995 O SER B 563 -13.268 0.288 3.738 1.00 0.20 O ATOM 1996 CB SER B 563 -15.599 0.210 1.655 1.00 0.27 C ATOM 1997 OG SER B 563 -16.898 0.492 1.158 1.00 0.91 O ATOM 0 H SER B 563 -15.405 2.619 1.018 1.00 0.27 H new ATOM 0 HA SER B 563 -15.694 1.207 3.554 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.896 0.133 0.825 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.601 -0.755 2.162 1.00 0.27 H new ATOM 0 HG SER B 563 -17.173 -0.217 0.540 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.850 1.981 2.326 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.413 1.937 2.478 1.00 0.19 C ATOM 2005 C LEU B 564 -11.066 2.566 3.809 1.00 0.21 C ATOM 2006 O LEU B 564 -10.359 1.997 4.635 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.753 2.729 1.352 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.324 2.321 0.982 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.814 3.190 -0.131 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.369 2.415 2.148 1.00 0.18 C ATOM 0 H LEU B 564 -13.178 2.719 1.703 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.058 0.907 2.438 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.375 2.641 0.461 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.746 3.782 1.633 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.369 1.278 0.669 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.797 2.893 -0.388 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.456 3.077 -1.004 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.818 4.232 0.190 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.372 2.114 1.827 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.338 3.442 2.511 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.706 1.757 2.949 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.624 3.744 4.018 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.375 4.505 5.219 1.00 0.26 C ATOM 2024 C VAL B 565 -12.112 3.905 6.393 1.00 0.28 C ATOM 2025 O VAL B 565 -11.595 3.896 7.493 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.770 5.977 5.027 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.255 6.440 3.692 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.272 6.177 5.101 1.00 0.30 C ATOM 0 H VAL B 565 -12.260 4.195 3.360 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.306 4.466 5.428 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.329 6.563 5.833 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.527 7.484 3.539 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.170 6.340 3.666 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.694 5.831 2.902 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.506 7.232 4.960 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.756 5.590 4.320 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.635 5.852 6.076 1.00 0.30 H new ATOM 2038 N SER B 566 -13.303 3.368 6.146 1.00 0.28 N ATOM 2039 CA SER B 566 -14.048 2.647 7.171 1.00 0.30 C ATOM 2040 C SER B 566 -13.214 1.498 7.710 1.00 0.30 C ATOM 2041 O SER B 566 -13.406 1.026 8.827 1.00 0.35 O ATOM 2042 CB SER B 566 -15.351 2.111 6.590 1.00 0.31 C ATOM 2043 OG SER B 566 -16.300 3.151 6.428 1.00 0.75 O ATOM 0 H SER B 566 -13.773 3.419 5.242 1.00 0.28 H new ATOM 0 HA SER B 566 -14.277 3.333 7.986 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.157 1.638 5.627 1.00 0.31 H new ATOM 0 HB3 SER B 566 -15.757 1.342 7.247 1.00 0.31 H new ATOM 0 HG SER B 566 -16.284 3.466 5.500 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.267 1.082 6.901 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.400 -0.025 7.220 1.00 0.25 C ATOM 2051 C TYR B 567 -10.085 0.486 7.806 1.00 0.26 C ATOM 2052 O TYR B 567 -9.432 -0.196 8.584 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.161 -0.796 5.938 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.377 -2.061 6.094 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.014 -3.253 6.399 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.009 -2.071 5.896 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.306 -4.428 6.506 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.291 -3.242 6.006 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.945 -4.417 6.309 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.236 -5.586 6.407 1.00 0.29 O ATOM 0 H TYR B 567 -12.076 1.508 5.994 1.00 0.26 H new ATOM 0 HA TYR B 567 -11.856 -0.674 7.968 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.126 -1.038 5.493 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.639 -0.148 5.235 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.083 -3.260 6.555 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.498 -1.151 5.653 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.815 -5.351 6.743 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.222 -3.239 5.856 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.909 -5.694 7.324 1.00 0.29 H new ATOM 2070 N LEU B 568 -9.704 1.687 7.392 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.478 2.331 7.852 1.00 0.29 C ATOM 2072 C LEU B 568 -8.655 3.095 9.160 1.00 0.35 C ATOM 2073 O LEU B 568 -7.740 3.150 9.978 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.013 3.300 6.794 1.00 0.28 C ATOM 2075 CG LEU B 568 -6.938 2.796 5.859 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.197 1.360 5.420 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -6.911 3.714 4.674 1.00 0.26 C ATOM 0 H LEU B 568 -10.237 2.245 6.725 1.00 0.26 H new ATOM 0 HA LEU B 568 -7.749 1.541 8.031 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -8.876 3.597 6.197 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -7.644 4.198 7.289 1.00 0.28 H new ATOM 0 HG LEU B 568 -5.976 2.792 6.371 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.402 1.036 4.749 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.221 0.711 6.295 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.154 1.305 4.901 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.145 3.382 3.974 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -7.883 3.701 4.181 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.686 4.728 5.004 1.00 0.26 H new ATOM 2089 N ASN B 569 -9.803 3.728 9.338 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.034 4.507 10.550 1.00 0.46 C ATOM 2091 C ASN B 569 -10.655 3.628 11.633 1.00 0.50 C ATOM 2092 O ASN B 569 -10.459 3.887 12.820 1.00 0.74 O ATOM 2093 CB ASN B 569 -10.912 5.753 10.291 1.00 0.52 C ATOM 2094 CG ASN B 569 -12.414 5.476 10.317 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -13.177 6.231 10.921 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -12.865 4.443 9.629 1.00 0.44 N ATOM 0 H ASN B 569 -10.578 3.721 8.675 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.064 4.868 10.893 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -10.680 6.509 11.041 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -10.648 6.174 9.321 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -13.867 4.255 9.589 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.212 3.833 9.138 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.351 2.572 11.179 1.00 0.50 N ATOM 2104 CA TYR B 570 -12.103 1.625 12.025 1.00 0.59 C ATOM 2105 C TYR B 570 -12.407 2.160 13.429 1.00 0.90 C ATOM 2106 O TYR B 570 -11.803 1.677 14.410 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.398 0.255 12.080 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.900 0.291 12.321 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -9.019 0.615 11.297 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.367 0.028 13.578 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.657 0.666 11.515 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.009 0.081 13.805 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.151 0.315 12.752 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.800 0.455 12.997 1.00 1.04 O ATOM 2115 OXT TYR B 570 -13.254 3.075 13.540 1.00 1.66 O ATOM 0 H TYR B 570 -11.409 2.346 10.186 1.00 0.50 H new ATOM 0 HA TYR B 570 -13.074 1.496 11.547 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.860 -0.338 12.869 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.583 -0.265 11.140 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.407 0.831 10.312 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.030 -0.223 14.392 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.991 0.978 10.724 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.619 -0.060 14.802 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.602 0.167 13.913 1.00 1.04 H new