USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 TYR OH : rot 109:sc= 1.67 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -168:sc= 0.0221 (180deg=-0.832) USER MOD Set 2.1: A 61 LYS NZ :NH3+ 172:sc= 1.42 (180deg=-0.136) USER MOD Set 2.2: A 76 TYR OH : rot 150:sc= 0.609 USER MOD Set 3.1: A 57 ASN : amide:sc= 0.0741 K(o=-2.7,f=-8.5!) USER MOD Set 3.2: A 60 ASN : amide:sc= -1.63! C(o=-2.7!,f=-14!) USER MOD Set 3.3: A 64 ASN : amide:sc= -1.15! K(o=-2.7!,f=-1.6) USER MOD Set 4.1: A 42 SER OG : rot 180:sc= 0.727 USER MOD Set 4.2: A 43 LYS NZ :NH3+ 158:sc= 0.817 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -119:sc= 2.1 (180deg=-0.432) USER MOD Single : A 37 HIS : no HE2:sc= 1.06 K(o=1.1,f=-5.4!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.155 K(o=-0.15,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 27:sc= 0.968 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -172:sc= -2.46! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= 0.113 (180deg=-0.257) USER MOD Single : A 84 MET CE :methyl 159:sc= -0.0601 (180deg=-0.761) USER MOD Single : A 86 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.0075) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= -0.019 (180deg=-0.218) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.49! C(o=-7.5!,f=-2.9!) USER MOD Single : A 101 LYS NZ :NH3+ -135:sc= 0.555 (180deg=-0.11) USER MOD Single : A 106 LYS NZ :NH3+ 144:sc= 1.7 (180deg=1.17) USER MOD Single : A 109 SER OG : rot -84:sc= 0.931 USER MOD Single : A 110 MET CE :methyl -161:sc= -8.62! (180deg=-8.89!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 1 (180deg=1) USER MOD Single : A 125 THR OG1 : rot 25:sc= 0.102 USER MOD Single : A 130 LYS NZ :NH3+ -152:sc= 1 (180deg=-0.992!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 555 THR OG1 : rot 180:sc= 0 USER MOD Single : B 556 THR OG1 : rot -89:sc= 0.72 USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 563 SER OG : rot 135:sc= 0.0983 USER MOD Single : B 566 SER OG : rot 89:sc= 1.23 USER MOD Single : B 567 TYR OH : rot -111:sc= 0.165 USER MOD Single : B 569 ASN : amide:sc= -4.55! K(o=-4.5!,f=-1.5) USER MOD Single : B 570 TYR OH : rot 180:sc= -0.0448 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.384 5.182 10.769 1.00 0.62 N ATOM 77 CA LYS A 34 -1.930 3.860 11.040 1.00 0.54 C ATOM 78 C LYS A 34 -0.839 3.493 10.053 1.00 0.43 C ATOM 79 O LYS A 34 -1.115 3.234 8.883 1.00 0.53 O ATOM 80 CB LYS A 34 -3.115 2.940 10.921 1.00 0.66 C ATOM 81 CG LYS A 34 -3.929 2.867 12.195 1.00 0.83 C ATOM 82 CD LYS A 34 -5.384 2.609 11.895 1.00 0.84 C ATOM 83 CE LYS A 34 -6.246 2.841 13.125 1.00 0.90 C ATOM 84 NZ LYS A 34 -7.696 2.661 12.848 1.00 1.23 N ATOM 0 HA LYS A 34 -1.509 3.778 12.042 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.754 3.281 10.106 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.769 1.940 10.658 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -3.540 2.074 12.834 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.829 3.801 12.749 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -5.714 3.263 11.088 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.510 1.584 11.547 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -5.942 2.152 13.913 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -6.074 3.850 13.500 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -8.198 3.552 13.035 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -7.828 2.391 11.852 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -8.077 1.914 13.463 1.00 1.23 H new ATOM 98 N GLU A 35 0.404 3.511 10.516 1.00 0.43 N ATOM 99 CA GLU A 35 1.529 3.220 9.649 1.00 0.48 C ATOM 100 C GLU A 35 1.559 1.742 9.311 1.00 0.40 C ATOM 101 O GLU A 35 2.066 0.918 10.077 1.00 0.55 O ATOM 102 CB GLU A 35 2.857 3.630 10.296 1.00 0.75 C ATOM 103 CG GLU A 35 3.024 5.129 10.503 1.00 1.06 C ATOM 104 CD GLU A 35 2.126 5.682 11.587 1.00 1.35 C ATOM 105 OE1 GLU A 35 2.358 5.363 12.773 1.00 1.86 O ATOM 106 OE2 GLU A 35 1.182 6.423 11.264 1.00 1.83 O ATOM 0 H GLU A 35 0.654 3.723 11.482 1.00 0.43 H new ATOM 0 HA GLU A 35 1.403 3.801 8.735 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.945 3.131 11.261 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.676 3.269 9.674 1.00 0.75 H new ATOM 0 HG2 GLU A 35 4.063 5.341 10.757 1.00 1.06 H new ATOM 0 HG3 GLU A 35 2.813 5.645 9.566 1.00 1.06 H new ATOM 113 N TRP A 36 1.007 1.420 8.162 1.00 0.28 N ATOM 114 CA TRP A 36 1.027 0.056 7.657 1.00 0.25 C ATOM 115 C TRP A 36 2.434 -0.298 7.179 1.00 0.26 C ATOM 116 O TRP A 36 3.142 0.545 6.635 1.00 0.40 O ATOM 117 CB TRP A 36 0.045 -0.120 6.492 1.00 0.26 C ATOM 118 CG TRP A 36 -1.356 0.360 6.759 1.00 0.19 C ATOM 119 CD1 TRP A 36 -2.050 1.277 6.024 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.235 -0.047 7.820 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.308 1.453 6.550 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.442 0.659 7.650 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.123 -0.938 8.889 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.526 0.505 8.504 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.203 -1.089 9.742 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.391 -0.374 9.544 1.00 1.19 C ATOM 0 H TRP A 36 0.534 2.087 7.552 1.00 0.28 H new ATOM 0 HA TRP A 36 0.728 -0.606 8.469 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.436 0.412 5.625 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.006 -1.177 6.227 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.666 1.790 5.155 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -4.024 2.076 6.178 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.213 -1.498 9.047 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.441 1.058 8.353 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.128 -1.771 10.576 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.216 -0.519 10.225 1.00 1.19 H new ATOM 137 N HIS A 37 2.840 -1.540 7.388 1.00 0.25 N ATOM 138 CA HIS A 37 4.131 -2.011 6.893 1.00 0.25 C ATOM 139 C HIS A 37 3.938 -2.719 5.565 1.00 0.24 C ATOM 140 O HIS A 37 3.181 -3.681 5.489 1.00 0.30 O ATOM 141 CB HIS A 37 4.788 -2.973 7.887 1.00 0.29 C ATOM 142 CG HIS A 37 5.256 -2.329 9.154 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.554 -1.917 9.357 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.595 -2.057 10.302 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.672 -1.424 10.574 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.497 -1.497 11.170 1.00 0.56 N ATOM 0 H HIS A 37 2.299 -2.241 7.895 1.00 0.25 H new ATOM 0 HA HIS A 37 4.783 -1.146 6.767 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.077 -3.761 8.135 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.638 -3.452 7.402 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.307 -1.983 8.672 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.550 -2.246 10.499 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.577 -1.027 11.010 1.00 0.51 H new ATOM 155 N ILE A 38 4.607 -2.252 4.524 1.00 0.20 N ATOM 156 CA ILE A 38 4.448 -2.852 3.209 1.00 0.20 C ATOM 157 C ILE A 38 5.248 -4.143 3.098 1.00 0.21 C ATOM 158 O ILE A 38 6.444 -4.182 3.385 1.00 0.27 O ATOM 159 CB ILE A 38 4.845 -1.887 2.080 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.105 -0.569 2.246 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.506 -2.492 0.736 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.576 0.516 1.307 1.00 0.20 C ATOM 0 H ILE A 38 5.259 -1.468 4.562 1.00 0.20 H new ATOM 0 HA ILE A 38 3.388 -3.080 3.094 1.00 0.20 H new ATOM 0 HB ILE A 38 5.919 -1.709 2.130 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.040 -0.738 2.086 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.222 -0.224 3.273 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.791 -1.800 -0.057 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.048 -3.430 0.612 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.434 -2.683 0.683 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.002 1.425 1.485 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.633 0.714 1.482 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.433 0.192 0.276 1.00 0.20 H new ATOM 174 N VAL A 39 4.556 -5.186 2.682 1.00 0.19 N ATOM 175 CA VAL A 39 5.103 -6.530 2.617 1.00 0.18 C ATOM 176 C VAL A 39 5.163 -7.010 1.179 1.00 0.16 C ATOM 177 O VAL A 39 4.244 -6.766 0.417 1.00 0.18 O ATOM 178 CB VAL A 39 4.201 -7.493 3.398 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.761 -8.903 3.409 1.00 0.23 C ATOM 180 CG2 VAL A 39 3.966 -6.983 4.796 1.00 0.26 C ATOM 0 H VAL A 39 3.585 -5.124 2.375 1.00 0.19 H new ATOM 0 HA VAL A 39 6.106 -6.509 3.044 1.00 0.18 H new ATOM 0 HB VAL A 39 3.239 -7.538 2.887 1.00 0.20 H new ATOM 0 HG11 VAL A 39 4.093 -9.555 3.972 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.847 -9.268 2.386 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.745 -8.900 3.877 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.324 -7.680 5.334 1.00 0.26 H new ATOM 0 HG22 VAL A 39 4.920 -6.893 5.316 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.484 -6.006 4.751 1.00 0.26 H new ATOM 190 N PRO A 40 6.236 -7.689 0.784 1.00 0.14 N ATOM 191 CA PRO A 40 6.330 -8.308 -0.523 1.00 0.14 C ATOM 192 C PRO A 40 5.815 -9.751 -0.516 1.00 0.16 C ATOM 193 O PRO A 40 6.245 -10.572 0.297 1.00 0.28 O ATOM 194 CB PRO A 40 7.827 -8.266 -0.818 1.00 0.17 C ATOM 195 CG PRO A 40 8.519 -7.963 0.482 1.00 0.15 C ATOM 196 CD PRO A 40 7.461 -7.889 1.552 1.00 0.14 C ATOM 0 HA PRO A 40 5.722 -7.798 -1.270 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.168 -9.218 -1.224 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.053 -7.503 -1.563 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.249 -8.738 0.717 1.00 0.15 H new ATOM 0 HG3 PRO A 40 9.064 -7.021 0.416 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.422 -8.803 2.145 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.643 -7.067 2.244 1.00 0.14 H new ATOM 204 N VAL A 41 4.880 -10.044 -1.410 1.00 0.14 N ATOM 205 CA VAL A 41 4.318 -11.388 -1.522 1.00 0.16 C ATOM 206 C VAL A 41 5.027 -12.180 -2.612 1.00 0.18 C ATOM 207 O VAL A 41 5.425 -13.325 -2.412 1.00 0.23 O ATOM 208 CB VAL A 41 2.812 -11.362 -1.870 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.249 -12.772 -1.917 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.022 -10.510 -0.892 1.00 0.20 C ATOM 0 H VAL A 41 4.493 -9.370 -2.070 1.00 0.14 H new ATOM 0 HA VAL A 41 4.458 -11.857 -0.548 1.00 0.16 H new ATOM 0 HB VAL A 41 2.714 -10.910 -2.857 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.188 -12.732 -2.163 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.776 -13.349 -2.676 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.378 -13.248 -0.945 1.00 0.21 H new ATOM 0 HG21 VAL A 41 0.968 -10.518 -1.171 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.134 -10.913 0.114 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.396 -9.487 -0.916 1.00 0.20 H new ATOM 220 N SER A 42 5.169 -11.558 -3.772 1.00 0.19 N ATOM 221 CA SER A 42 5.732 -12.223 -4.935 1.00 0.25 C ATOM 222 C SER A 42 7.249 -12.089 -4.965 1.00 0.24 C ATOM 223 O SER A 42 7.820 -11.114 -4.475 1.00 0.35 O ATOM 224 CB SER A 42 5.121 -11.643 -6.214 1.00 0.34 C ATOM 225 OG SER A 42 5.651 -12.265 -7.376 1.00 1.08 O ATOM 0 H SER A 42 4.900 -10.587 -3.933 1.00 0.19 H new ATOM 0 HA SER A 42 5.491 -13.284 -4.872 1.00 0.25 H new ATOM 0 HB2 SER A 42 4.039 -11.773 -6.192 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.312 -10.571 -6.255 1.00 0.34 H new ATOM 0 HG SER A 42 5.239 -11.873 -8.174 1.00 1.08 H new ATOM 231 N LYS A 43 7.873 -13.103 -5.552 1.00 0.28 N ATOM 232 CA LYS A 43 9.323 -13.203 -5.686 1.00 0.31 C ATOM 233 C LYS A 43 9.959 -11.955 -6.289 1.00 0.26 C ATOM 234 O LYS A 43 11.092 -11.618 -5.951 1.00 0.32 O ATOM 235 CB LYS A 43 9.677 -14.425 -6.538 1.00 0.42 C ATOM 236 CG LYS A 43 8.741 -14.630 -7.718 1.00 1.02 C ATOM 237 CD LYS A 43 7.808 -15.808 -7.484 1.00 1.41 C ATOM 238 CE LYS A 43 6.733 -15.897 -8.553 1.00 2.09 C ATOM 239 NZ LYS A 43 5.628 -14.929 -8.317 1.00 2.95 N ATOM 0 H LYS A 43 7.376 -13.896 -5.957 1.00 0.28 H new ATOM 0 HA LYS A 43 9.727 -13.307 -4.679 1.00 0.31 H new ATOM 0 HB2 LYS A 43 10.697 -14.318 -6.907 1.00 0.42 H new ATOM 0 HB3 LYS A 43 9.657 -15.315 -5.909 1.00 0.42 H new ATOM 0 HG2 LYS A 43 8.155 -13.726 -7.881 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.325 -14.799 -8.623 1.00 1.02 H new ATOM 0 HD2 LYS A 43 8.386 -16.732 -7.472 1.00 1.41 H new ATOM 0 HD3 LYS A 43 7.340 -15.712 -6.505 1.00 1.41 H new ATOM 0 HE2 LYS A 43 7.177 -15.708 -9.530 1.00 2.09 H new ATOM 0 HE3 LYS A 43 6.329 -16.909 -8.577 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 5.127 -14.749 -9.211 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 4.963 -15.324 -7.621 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 6.020 -14.037 -7.954 1.00 2.95 H new ATOM 253 N ASP A 44 9.234 -11.267 -7.165 1.00 0.23 N ATOM 254 CA ASP A 44 9.775 -10.090 -7.841 1.00 0.21 C ATOM 255 C ASP A 44 9.903 -8.923 -6.865 1.00 0.17 C ATOM 256 O ASP A 44 10.635 -7.964 -7.113 1.00 0.18 O ATOM 257 CB ASP A 44 8.879 -9.688 -9.020 1.00 0.25 C ATOM 258 CG ASP A 44 9.634 -8.989 -10.130 1.00 0.39 C ATOM 259 OD1 ASP A 44 10.861 -9.179 -10.238 1.00 0.44 O ATOM 260 OD2 ASP A 44 8.998 -8.240 -10.902 1.00 0.97 O ATOM 0 H ASP A 44 8.275 -11.501 -7.423 1.00 0.23 H new ATOM 0 HA ASP A 44 10.765 -10.341 -8.221 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.397 -10.579 -9.422 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.087 -9.032 -8.659 1.00 0.25 H new ATOM 265 N TYR A 45 9.191 -9.012 -5.746 1.00 0.15 N ATOM 266 CA TYR A 45 9.180 -7.938 -4.762 1.00 0.13 C ATOM 267 C TYR A 45 9.910 -8.344 -3.494 1.00 0.15 C ATOM 268 O TYR A 45 10.040 -7.549 -2.584 1.00 0.15 O ATOM 269 CB TYR A 45 7.748 -7.527 -4.404 1.00 0.12 C ATOM 270 CG TYR A 45 6.944 -7.042 -5.581 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.465 -7.943 -6.522 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.658 -5.692 -5.750 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.727 -7.521 -7.605 1.00 0.29 C ATOM 274 CE2 TYR A 45 5.915 -5.260 -6.837 1.00 0.25 C ATOM 275 CZ TYR A 45 5.453 -6.183 -7.759 1.00 0.27 C ATOM 276 OH TYR A 45 4.711 -5.772 -8.844 1.00 0.35 O ATOM 0 H TYR A 45 8.615 -9.817 -5.499 1.00 0.15 H new ATOM 0 HA TYR A 45 9.694 -7.090 -5.215 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.238 -8.378 -3.953 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.783 -6.740 -3.651 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.675 -8.996 -6.402 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.018 -4.974 -5.028 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.366 -8.237 -8.329 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.698 -4.210 -6.964 1.00 0.25 H new ATOM 0 HH TYR A 45 3.823 -5.486 -8.544 1.00 0.35 H new ATOM 286 N PHE A 46 10.411 -9.566 -3.430 1.00 0.19 N ATOM 287 CA PHE A 46 11.081 -10.036 -2.217 1.00 0.23 C ATOM 288 C PHE A 46 12.283 -9.167 -1.852 1.00 0.22 C ATOM 289 O PHE A 46 12.839 -9.292 -0.763 1.00 0.26 O ATOM 290 CB PHE A 46 11.492 -11.499 -2.332 1.00 0.28 C ATOM 291 CG PHE A 46 10.380 -12.453 -1.992 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.451 -12.132 -1.012 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.266 -13.666 -2.645 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.429 -13.005 -0.695 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.245 -14.543 -2.332 1.00 0.76 C ATOM 296 CZ PHE A 46 8.327 -14.212 -1.356 1.00 0.57 C ATOM 0 H PHE A 46 10.371 -10.246 -4.189 1.00 0.19 H new ATOM 0 HA PHE A 46 10.354 -9.951 -1.409 1.00 0.23 H new ATOM 0 HB2 PHE A 46 11.833 -11.695 -3.348 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.338 -11.686 -1.670 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.528 -11.189 -0.491 1.00 0.68 H new ATOM 0 HD2 PHE A 46 10.983 -13.931 -3.408 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.711 -12.744 0.068 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.165 -15.487 -2.851 1.00 0.76 H new ATOM 0 HZ PHE A 46 7.529 -14.897 -1.110 1.00 0.57 H new ATOM 306 N SER A 47 12.688 -8.296 -2.766 1.00 0.19 N ATOM 307 CA SER A 47 13.804 -7.418 -2.530 1.00 0.23 C ATOM 308 C SER A 47 13.359 -6.052 -1.999 1.00 0.17 C ATOM 309 O SER A 47 14.175 -5.154 -1.888 1.00 0.20 O ATOM 310 CB SER A 47 14.575 -7.253 -3.830 1.00 0.31 C ATOM 311 OG SER A 47 14.987 -8.513 -4.334 1.00 1.19 O ATOM 0 H SER A 47 12.251 -8.186 -3.681 1.00 0.19 H new ATOM 0 HA SER A 47 14.440 -7.863 -1.765 1.00 0.23 H new ATOM 0 HB2 SER A 47 13.951 -6.748 -4.567 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.447 -6.620 -3.663 1.00 0.31 H new ATOM 0 HG SER A 47 15.480 -8.385 -5.171 1.00 1.19 H new ATOM 317 N ILE A 48 12.069 -5.896 -1.679 1.00 0.17 N ATOM 318 CA ILE A 48 11.559 -4.633 -1.125 1.00 0.15 C ATOM 319 C ILE A 48 12.342 -4.270 0.146 1.00 0.17 C ATOM 320 O ILE A 48 12.656 -5.147 0.950 1.00 0.20 O ATOM 321 CB ILE A 48 10.026 -4.714 -0.832 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.224 -4.948 -2.120 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.521 -3.455 -0.153 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.535 -3.716 -2.671 1.00 0.21 C ATOM 0 H ILE A 48 11.362 -6.622 -1.793 1.00 0.17 H new ATOM 0 HA ILE A 48 11.704 -3.848 -1.867 1.00 0.15 H new ATOM 0 HB ILE A 48 9.880 -5.560 -0.160 1.00 0.17 H new ATOM 0 HG12 ILE A 48 9.895 -5.344 -2.882 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.472 -5.713 -1.929 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.451 -3.547 0.035 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.045 -3.316 0.793 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.703 -2.596 -0.798 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.994 -3.978 -3.580 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.835 -3.329 -1.931 1.00 0.21 H new ATOM 0 HD13 ILE A 48 9.280 -2.954 -2.899 1.00 0.21 H new ATOM 336 N PRO A 49 12.685 -2.972 0.300 1.00 0.16 N ATOM 337 CA PRO A 49 13.625 -2.447 1.311 1.00 0.19 C ATOM 338 C PRO A 49 13.455 -2.887 2.761 1.00 0.15 C ATOM 339 O PRO A 49 12.601 -3.706 3.109 1.00 0.21 O ATOM 340 CB PRO A 49 13.411 -0.930 1.264 1.00 0.26 C ATOM 341 CG PRO A 49 12.250 -0.715 0.383 1.00 0.17 C ATOM 342 CD PRO A 49 12.207 -1.881 -0.549 1.00 0.16 C ATOM 0 HA PRO A 49 14.611 -2.831 1.049 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.225 -0.530 2.261 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.295 -0.422 0.877 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.330 -0.647 0.963 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.349 0.220 -0.169 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.200 -2.067 -0.923 1.00 0.16 H new ATOM 0 HD3 PRO A 49 12.847 -1.731 -1.419 1.00 0.16 H new ATOM 350 N ASN A 50 14.284 -2.259 3.596 1.00 0.17 N ATOM 351 CA ASN A 50 14.364 -2.522 5.028 1.00 0.22 C ATOM 352 C ASN A 50 12.971 -2.583 5.661 1.00 0.22 C ATOM 353 O ASN A 50 12.609 -3.580 6.296 1.00 0.34 O ATOM 354 CB ASN A 50 15.201 -1.407 5.686 1.00 0.35 C ATOM 355 CG ASN A 50 15.654 -1.736 7.101 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.979 -2.444 7.845 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.807 -1.208 7.483 1.00 0.83 N ATOM 0 H ASN A 50 14.933 -1.536 3.285 1.00 0.17 H new ATOM 0 HA ASN A 50 14.837 -3.491 5.187 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.078 -1.212 5.069 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.614 -0.488 5.706 1.00 0.35 H new ATOM 0 HD21 ASN A 50 17.162 -1.384 8.423 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.340 -0.625 6.837 1.00 0.83 H new ATOM 364 N ASP A 51 12.183 -1.537 5.433 1.00 0.24 N ATOM 365 CA ASP A 51 10.862 -1.413 6.049 1.00 0.34 C ATOM 366 C ASP A 51 10.184 -0.137 5.575 1.00 0.27 C ATOM 367 O ASP A 51 10.604 0.969 5.923 1.00 0.36 O ATOM 368 CB ASP A 51 10.961 -1.413 7.582 1.00 0.51 C ATOM 369 CG ASP A 51 9.603 -1.384 8.260 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.703 -2.146 7.844 1.00 1.90 O ATOM 371 OD2 ASP A 51 9.434 -0.613 9.230 1.00 1.23 O ATOM 0 H ASP A 51 12.436 -0.759 4.824 1.00 0.24 H new ATOM 0 HA ASP A 51 10.266 -2.274 5.746 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.505 -2.300 7.906 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.541 -0.548 7.904 1.00 0.51 H new ATOM 376 N LEU A 52 9.168 -0.296 4.746 1.00 0.22 N ATOM 377 CA LEU A 52 8.415 0.838 4.227 1.00 0.17 C ATOM 378 C LEU A 52 7.131 1.044 5.009 1.00 0.19 C ATOM 379 O LEU A 52 6.400 0.091 5.293 1.00 0.25 O ATOM 380 CB LEU A 52 8.078 0.631 2.752 1.00 0.18 C ATOM 381 CG LEU A 52 9.278 0.499 1.824 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.816 0.163 0.417 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.103 1.777 1.825 1.00 0.15 C ATOM 0 H LEU A 52 8.842 -1.204 4.415 1.00 0.22 H new ATOM 0 HA LEU A 52 9.041 1.724 4.334 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.466 -0.266 2.658 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.468 1.469 2.414 1.00 0.18 H new ATOM 0 HG LEU A 52 9.910 -0.311 2.187 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.682 0.071 -0.238 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.268 -0.779 0.429 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.165 0.956 0.049 1.00 0.17 H new ATOM 0 HD21 LEU A 52 10.955 1.660 1.155 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.486 2.609 1.485 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.460 1.979 2.835 1.00 0.15 H new ATOM 395 N LEU A 53 6.851 2.294 5.335 1.00 0.16 N ATOM 396 CA LEU A 53 5.637 2.636 6.058 1.00 0.18 C ATOM 397 C LEU A 53 4.628 3.288 5.127 1.00 0.17 C ATOM 398 O LEU A 53 4.877 4.351 4.558 1.00 0.17 O ATOM 399 CB LEU A 53 5.941 3.577 7.227 1.00 0.21 C ATOM 400 CG LEU A 53 6.828 2.995 8.324 1.00 0.26 C ATOM 401 CD1 LEU A 53 7.079 4.034 9.402 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.192 1.747 8.919 1.00 0.30 C ATOM 0 H LEU A 53 7.448 3.090 5.111 1.00 0.16 H new ATOM 0 HA LEU A 53 5.215 1.712 6.454 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.420 4.474 6.834 1.00 0.21 H new ATOM 0 HB3 LEU A 53 4.997 3.890 7.674 1.00 0.21 H new ATOM 0 HG LEU A 53 7.785 2.713 7.885 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.713 3.607 10.179 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.575 4.900 8.964 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.129 4.343 9.838 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.839 1.346 9.699 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.222 2.001 9.346 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.059 0.999 8.138 1.00 0.30 H new ATOM 414 N TRP A 54 3.496 2.639 4.976 1.00 0.18 N ATOM 415 CA TRP A 54 2.404 3.162 4.180 1.00 0.20 C ATOM 416 C TRP A 54 1.332 3.722 5.100 1.00 0.23 C ATOM 417 O TRP A 54 0.808 3.012 5.954 1.00 0.28 O ATOM 418 CB TRP A 54 1.814 2.043 3.312 1.00 0.22 C ATOM 419 CG TRP A 54 0.765 2.497 2.338 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.363 3.219 2.609 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.736 2.228 0.934 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.075 3.430 1.459 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.425 2.829 0.419 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.581 1.542 0.059 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.761 2.765 -0.925 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.243 1.478 -1.277 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.079 2.089 -1.754 1.00 0.35 C ATOM 0 H TRP A 54 3.304 1.732 5.401 1.00 0.18 H new ATOM 0 HA TRP A 54 2.774 3.956 3.532 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.623 1.565 2.759 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.382 1.284 3.964 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.651 3.572 3.588 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -1.949 3.951 1.390 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.482 1.070 0.421 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.658 3.235 -1.300 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 1.886 0.949 -1.964 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.159 2.022 -2.805 1.00 0.35 H new ATOM 438 N SER A 55 1.005 4.985 4.933 1.00 0.26 N ATOM 439 CA SER A 55 -0.074 5.574 5.680 1.00 0.33 C ATOM 440 C SER A 55 -1.042 6.213 4.704 1.00 0.25 C ATOM 441 O SER A 55 -0.688 7.148 3.982 1.00 0.22 O ATOM 442 CB SER A 55 0.463 6.607 6.678 1.00 0.44 C ATOM 443 OG SER A 55 -0.520 6.954 7.641 1.00 1.11 O ATOM 0 H SER A 55 1.473 5.620 4.286 1.00 0.26 H new ATOM 0 HA SER A 55 -0.591 4.805 6.254 1.00 0.33 H new ATOM 0 HB2 SER A 55 1.343 6.206 7.182 1.00 0.44 H new ATOM 0 HB3 SER A 55 0.782 7.501 6.143 1.00 0.44 H new ATOM 0 HG SER A 55 -0.149 7.613 8.265 1.00 1.11 H new ATOM 449 N PHE A 56 -2.246 5.672 4.633 1.00 0.30 N ATOM 450 CA PHE A 56 -3.260 6.245 3.776 1.00 0.28 C ATOM 451 C PHE A 56 -3.700 7.569 4.351 1.00 0.27 C ATOM 452 O PHE A 56 -4.156 7.627 5.480 1.00 0.39 O ATOM 453 CB PHE A 56 -4.484 5.335 3.679 1.00 0.40 C ATOM 454 CG PHE A 56 -4.253 4.038 2.964 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.838 2.913 3.655 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.479 3.940 1.605 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.644 1.713 2.998 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.286 2.746 0.943 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.869 1.629 1.639 1.00 0.27 C ATOM 0 H PHE A 56 -2.540 4.846 5.154 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.832 6.370 2.781 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -4.838 5.119 4.687 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.281 5.876 3.170 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.664 2.974 4.719 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.811 4.808 1.055 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.317 0.842 3.547 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.461 2.685 -0.121 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.719 0.693 1.122 1.00 0.27 H new ATOM 469 N ASN A 57 -3.571 8.631 3.604 1.00 0.24 N ATOM 470 CA ASN A 57 -4.134 9.883 4.055 1.00 0.31 C ATOM 471 C ASN A 57 -5.595 9.929 3.668 1.00 0.33 C ATOM 472 O ASN A 57 -5.945 10.222 2.538 1.00 0.41 O ATOM 473 CB ASN A 57 -3.390 11.082 3.471 1.00 0.45 C ATOM 474 CG ASN A 57 -1.955 11.155 3.937 1.00 1.09 C ATOM 475 OD1 ASN A 57 -1.075 10.552 3.337 1.00 2.12 O ATOM 476 ND2 ASN A 57 -1.713 11.906 4.996 1.00 1.16 N ATOM 0 H ASN A 57 -3.095 8.662 2.703 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.032 9.941 5.139 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -3.413 11.025 2.383 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.907 11.999 3.753 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -0.760 12.002 5.346 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -2.479 12.390 5.464 1.00 1.16 H new ATOM 483 N THR A 58 -6.444 9.582 4.601 1.00 0.34 N ATOM 484 CA THR A 58 -7.873 9.720 4.418 1.00 0.40 C ATOM 485 C THR A 58 -8.358 10.843 5.312 1.00 0.48 C ATOM 486 O THR A 58 -9.502 11.295 5.237 1.00 0.61 O ATOM 487 CB THR A 58 -8.587 8.404 4.775 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.117 7.932 6.047 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.343 7.341 3.712 1.00 0.48 C ATOM 0 H THR A 58 -6.170 9.198 5.505 1.00 0.34 H new ATOM 0 HA THR A 58 -8.096 9.950 3.376 1.00 0.40 H new ATOM 0 HB THR A 58 -9.659 8.597 4.825 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.573 7.095 6.274 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.859 6.422 3.991 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.721 7.693 2.752 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.274 7.146 3.631 1.00 0.48 H new ATOM 497 N THR A 59 -7.437 11.301 6.142 1.00 0.50 N ATOM 498 CA THR A 59 -7.690 12.357 7.076 1.00 0.63 C ATOM 499 C THR A 59 -7.632 13.708 6.363 1.00 0.67 C ATOM 500 O THR A 59 -8.464 14.582 6.598 1.00 0.77 O ATOM 501 CB THR A 59 -6.649 12.277 8.205 1.00 0.74 C ATOM 502 OG1 THR A 59 -6.765 11.030 8.906 1.00 0.86 O ATOM 503 CG2 THR A 59 -6.789 13.431 9.172 1.00 0.90 C ATOM 0 H THR A 59 -6.484 10.938 6.178 1.00 0.50 H new ATOM 0 HA THR A 59 -8.686 12.251 7.505 1.00 0.63 H new ATOM 0 HB THR A 59 -5.662 12.339 7.748 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.095 10.993 9.620 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.037 13.342 9.956 1.00 0.90 H new ATOM 0 HG22 THR A 59 -6.648 14.371 8.639 1.00 0.90 H new ATOM 0 HG23 THR A 59 -7.783 13.413 9.618 1.00 0.90 H new ATOM 511 N ASN A 60 -6.675 13.845 5.450 1.00 0.65 N ATOM 512 CA ASN A 60 -6.583 15.028 4.599 1.00 0.74 C ATOM 513 C ASN A 60 -6.646 14.627 3.129 1.00 0.72 C ATOM 514 O ASN A 60 -6.579 15.465 2.233 1.00 0.84 O ATOM 515 CB ASN A 60 -5.296 15.814 4.880 1.00 0.86 C ATOM 516 CG ASN A 60 -4.035 15.009 4.627 1.00 1.17 C ATOM 517 OD1 ASN A 60 -4.002 13.794 4.832 1.00 1.99 O ATOM 518 ND2 ASN A 60 -2.988 15.680 4.173 1.00 1.69 N ATOM 0 H ASN A 60 -5.949 13.149 5.280 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.430 15.675 4.827 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.280 16.707 4.256 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.303 16.150 5.917 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -2.114 15.191 3.980 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.056 16.686 4.016 1.00 1.69 H new ATOM 525 N LYS A 61 -6.779 13.317 2.916 1.00 0.64 N ATOM 526 CA LYS A 61 -6.937 12.711 1.602 1.00 0.66 C ATOM 527 C LYS A 61 -5.692 12.844 0.721 1.00 0.65 C ATOM 528 O LYS A 61 -5.444 13.874 0.095 1.00 0.94 O ATOM 529 CB LYS A 61 -8.171 13.227 0.907 1.00 0.84 C ATOM 530 CG LYS A 61 -9.443 12.854 1.640 1.00 0.96 C ATOM 531 CD LYS A 61 -10.630 13.550 1.040 1.00 0.99 C ATOM 532 CE LYS A 61 -10.843 13.164 -0.419 1.00 1.06 C ATOM 533 NZ LYS A 61 -10.917 11.690 -0.609 1.00 1.65 N ATOM 0 H LYS A 61 -6.779 12.635 3.674 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.067 11.642 1.771 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.109 14.312 0.820 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.208 12.828 -0.107 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -9.589 11.775 1.597 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.353 13.122 2.693 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -11.523 13.303 1.614 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -10.492 14.629 1.113 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -11.763 13.621 -0.783 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.028 13.565 -1.021 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -11.196 11.480 -1.589 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -9.986 11.268 -0.416 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -11.620 11.291 0.045 1.00 1.65 H new ATOM 547 N SER A 62 -4.937 11.756 0.689 1.00 0.41 N ATOM 548 CA SER A 62 -3.674 11.643 -0.028 1.00 0.38 C ATOM 549 C SER A 62 -3.103 10.248 0.271 1.00 0.35 C ATOM 550 O SER A 62 -3.757 9.441 0.926 1.00 0.50 O ATOM 551 CB SER A 62 -2.706 12.742 0.435 1.00 0.47 C ATOM 552 OG SER A 62 -1.533 12.777 -0.358 1.00 1.28 O ATOM 0 H SER A 62 -5.195 10.898 1.178 1.00 0.41 H new ATOM 0 HA SER A 62 -3.820 11.768 -1.101 1.00 0.38 H new ATOM 0 HB2 SER A 62 -3.205 13.710 0.388 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.435 12.573 1.477 1.00 0.47 H new ATOM 0 HG SER A 62 -1.734 12.437 -1.255 1.00 1.28 H new ATOM 558 N ILE A 63 -1.929 9.947 -0.237 1.00 0.36 N ATOM 559 CA ILE A 63 -1.227 8.727 0.133 1.00 0.33 C ATOM 560 C ILE A 63 0.156 9.123 0.625 1.00 0.35 C ATOM 561 O ILE A 63 0.833 9.905 -0.035 1.00 0.54 O ATOM 562 CB ILE A 63 -1.027 7.759 -1.065 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.315 7.567 -1.886 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.512 6.417 -0.564 1.00 0.39 C ATOM 565 CD1 ILE A 63 -3.312 6.630 -1.247 1.00 1.11 C ATOM 0 H ILE A 63 -1.434 10.530 -0.911 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.825 8.216 0.888 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.291 8.209 -1.731 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.787 8.538 -2.036 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.052 7.185 -2.872 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.374 5.742 -1.409 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.441 6.560 -0.054 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.234 5.986 0.130 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -4.192 6.546 -1.884 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -2.859 5.647 -1.122 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -3.605 7.020 -0.273 1.00 1.11 H new ATOM 577 N ASN A 64 0.572 8.635 1.775 1.00 0.25 N ATOM 578 CA ASN A 64 1.921 8.908 2.248 1.00 0.25 C ATOM 579 C ASN A 64 2.671 7.619 2.493 1.00 0.21 C ATOM 580 O ASN A 64 2.419 6.911 3.469 1.00 0.24 O ATOM 581 CB ASN A 64 1.916 9.755 3.517 1.00 0.34 C ATOM 582 CG ASN A 64 1.954 11.254 3.241 1.00 0.57 C ATOM 583 OD1 ASN A 64 2.457 12.029 4.053 1.00 1.22 O ATOM 584 ND2 ASN A 64 1.439 11.672 2.094 1.00 0.53 N ATOM 0 H ASN A 64 0.007 8.055 2.395 1.00 0.25 H new ATOM 0 HA ASN A 64 2.428 9.475 1.467 1.00 0.25 H new ATOM 0 HB2 ASN A 64 1.023 9.522 4.098 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.775 9.483 4.130 1.00 0.34 H new ATOM 0 HD21 ASN A 64 1.452 12.665 1.861 1.00 0.53 H new ATOM 0 HD22 ASN A 64 1.030 11.001 1.444 1.00 0.53 H new ATOM 591 N VAL A 65 3.578 7.304 1.593 1.00 0.20 N ATOM 592 CA VAL A 65 4.419 6.136 1.746 1.00 0.18 C ATOM 593 C VAL A 65 5.834 6.585 2.045 1.00 0.20 C ATOM 594 O VAL A 65 6.465 7.247 1.222 1.00 0.25 O ATOM 595 CB VAL A 65 4.432 5.255 0.484 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.144 3.941 0.760 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.024 5.012 -0.030 1.00 0.19 C ATOM 0 H VAL A 65 3.752 7.843 0.745 1.00 0.20 H new ATOM 0 HA VAL A 65 4.013 5.540 2.563 1.00 0.18 H new ATOM 0 HB VAL A 65 4.980 5.786 -0.294 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.144 3.330 -0.143 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.172 4.141 1.063 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.628 3.408 1.558 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.065 4.387 -0.922 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.438 4.509 0.739 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.557 5.966 -0.277 1.00 0.19 H new ATOM 607 N TYR A 66 6.330 6.243 3.216 1.00 0.19 N ATOM 608 CA TYR A 66 7.633 6.713 3.627 1.00 0.21 C ATOM 609 C TYR A 66 8.356 5.697 4.496 1.00 0.21 C ATOM 610 O TYR A 66 7.770 4.752 5.000 1.00 0.24 O ATOM 611 CB TYR A 66 7.514 8.055 4.361 1.00 0.27 C ATOM 612 CG TYR A 66 6.631 8.030 5.590 1.00 0.31 C ATOM 613 CD1 TYR A 66 5.271 8.298 5.498 1.00 0.33 C ATOM 614 CD2 TYR A 66 7.165 7.757 6.843 1.00 0.40 C ATOM 615 CE1 TYR A 66 4.466 8.300 6.624 1.00 0.43 C ATOM 616 CE2 TYR A 66 6.368 7.752 7.971 1.00 0.50 C ATOM 617 CZ TYR A 66 5.021 8.024 7.856 1.00 0.51 C ATOM 618 OH TYR A 66 4.232 8.034 8.985 1.00 0.63 O ATOM 0 H TYR A 66 5.855 5.647 3.893 1.00 0.19 H new ATOM 0 HA TYR A 66 8.227 6.853 2.724 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.511 8.383 4.654 1.00 0.27 H new ATOM 0 HB3 TYR A 66 7.125 8.800 3.667 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.835 8.508 4.533 1.00 0.33 H new ATOM 0 HD2 TYR A 66 8.220 7.545 6.937 1.00 0.40 H new ATOM 0 HE1 TYR A 66 3.411 8.516 6.538 1.00 0.43 H new ATOM 0 HE2 TYR A 66 6.798 7.536 8.938 1.00 0.50 H new ATOM 0 HH TYR A 66 4.779 7.818 9.769 1.00 0.63 H new ATOM 628 N SER A 67 9.642 5.908 4.631 1.00 0.21 N ATOM 629 CA SER A 67 10.501 5.101 5.464 1.00 0.24 C ATOM 630 C SER A 67 11.622 5.987 5.972 1.00 0.28 C ATOM 631 O SER A 67 11.546 7.209 5.845 1.00 0.30 O ATOM 632 CB SER A 67 11.074 3.905 4.694 1.00 0.26 C ATOM 633 OG SER A 67 12.051 4.308 3.745 1.00 0.29 O ATOM 0 H SER A 67 10.133 6.664 4.153 1.00 0.21 H new ATOM 0 HA SER A 67 9.923 4.695 6.295 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.519 3.200 5.396 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.266 3.380 4.184 1.00 0.26 H new ATOM 0 HG SER A 67 12.302 3.542 3.188 1.00 0.29 H new ATOM 639 N LYS A 68 12.635 5.383 6.560 1.00 0.33 N ATOM 640 CA LYS A 68 13.798 6.115 7.039 1.00 0.38 C ATOM 641 C LYS A 68 14.407 6.939 5.906 1.00 0.36 C ATOM 642 O LYS A 68 14.992 8.000 6.127 1.00 0.42 O ATOM 643 CB LYS A 68 14.857 5.149 7.572 1.00 0.47 C ATOM 644 CG LYS A 68 14.444 4.319 8.786 1.00 0.63 C ATOM 645 CD LYS A 68 13.409 3.244 8.460 1.00 1.00 C ATOM 646 CE LYS A 68 13.175 2.307 9.631 1.00 1.58 C ATOM 647 NZ LYS A 68 12.533 2.996 10.779 1.00 2.03 N ATOM 0 H LYS A 68 12.679 4.377 6.720 1.00 0.33 H new ATOM 0 HA LYS A 68 13.473 6.777 7.842 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.139 4.469 6.769 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.747 5.722 7.832 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.329 3.845 9.211 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.040 4.983 9.550 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.468 3.719 8.182 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.743 2.669 7.596 1.00 1.00 H new ATOM 0 HE2 LYS A 68 12.546 1.476 9.310 1.00 1.58 H new ATOM 0 HE3 LYS A 68 14.127 1.882 9.950 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 12.392 2.319 11.556 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 13.144 3.773 11.103 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 11.613 3.380 10.483 1.00 2.03 H new ATOM 661 N CYS A 69 14.263 6.430 4.693 1.00 0.36 N ATOM 662 CA CYS A 69 14.874 7.053 3.521 1.00 0.37 C ATOM 663 C CYS A 69 13.848 7.614 2.522 1.00 0.41 C ATOM 664 O CYS A 69 14.013 8.731 2.033 1.00 0.74 O ATOM 665 CB CYS A 69 15.779 6.038 2.834 1.00 0.38 C ATOM 666 SG CYS A 69 17.130 5.418 3.890 1.00 0.38 S ATOM 0 H CYS A 69 13.728 5.586 4.490 1.00 0.36 H new ATOM 0 HA CYS A 69 15.451 7.908 3.872 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.175 5.194 2.501 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.208 6.494 1.942 1.00 0.38 H new ATOM 671 N ILE A 70 12.799 6.857 2.213 1.00 0.25 N ATOM 672 CA ILE A 70 11.830 7.285 1.197 1.00 0.22 C ATOM 673 C ILE A 70 10.678 8.040 1.846 1.00 0.23 C ATOM 674 O ILE A 70 10.395 7.853 3.024 1.00 0.27 O ATOM 675 CB ILE A 70 11.307 6.081 0.375 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.437 6.513 -0.808 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.530 5.115 1.250 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.398 5.471 -1.896 1.00 0.23 C ATOM 0 H ILE A 70 12.596 5.955 2.643 1.00 0.25 H new ATOM 0 HA ILE A 70 12.340 7.958 0.507 1.00 0.22 H new ATOM 0 HB ILE A 70 12.189 5.579 -0.022 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.423 6.709 -0.459 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.820 7.448 -1.216 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.176 4.280 0.645 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.178 4.740 2.042 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.677 5.630 1.692 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.769 5.822 -2.714 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.408 5.293 -2.266 1.00 0.23 H new ATOM 0 HD13 ILE A 70 9.989 4.543 -1.496 1.00 0.23 H new ATOM 690 N SER A 71 10.047 8.910 1.082 1.00 0.24 N ATOM 691 CA SER A 71 8.942 9.715 1.574 1.00 0.28 C ATOM 692 C SER A 71 8.193 10.314 0.394 1.00 0.29 C ATOM 693 O SER A 71 8.672 11.248 -0.245 1.00 0.39 O ATOM 694 CB SER A 71 9.462 10.825 2.496 1.00 0.42 C ATOM 695 OG SER A 71 8.404 11.613 3.014 1.00 1.12 O ATOM 0 H SER A 71 10.284 9.080 0.105 1.00 0.24 H new ATOM 0 HA SER A 71 8.263 9.085 2.148 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.023 10.382 3.319 1.00 0.42 H new ATOM 0 HB3 SER A 71 10.154 11.462 1.945 1.00 0.42 H new ATOM 0 HG SER A 71 8.770 12.309 3.598 1.00 1.12 H new ATOM 701 N GLY A 72 7.036 9.759 0.082 1.00 0.30 N ATOM 702 CA GLY A 72 6.302 10.225 -1.068 1.00 0.42 C ATOM 703 C GLY A 72 4.833 10.431 -0.807 1.00 0.31 C ATOM 704 O GLY A 72 4.218 9.721 -0.012 1.00 0.40 O ATOM 0 H GLY A 72 6.595 9.000 0.601 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.737 11.165 -1.409 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.420 9.506 -1.879 1.00 0.42 H new ATOM 708 N LYS A 73 4.282 11.402 -1.505 1.00 0.24 N ATOM 709 CA LYS A 73 2.874 11.722 -1.432 1.00 0.23 C ATOM 710 C LYS A 73 2.179 11.186 -2.671 1.00 0.21 C ATOM 711 O LYS A 73 2.816 10.974 -3.691 1.00 0.27 O ATOM 712 CB LYS A 73 2.712 13.239 -1.355 1.00 0.35 C ATOM 713 CG LYS A 73 1.284 13.736 -1.303 1.00 1.00 C ATOM 714 CD LYS A 73 1.082 14.862 -2.285 1.00 0.70 C ATOM 715 CE LYS A 73 0.872 14.319 -3.675 1.00 0.43 C ATOM 716 NZ LYS A 73 0.534 15.396 -4.646 1.00 0.64 N ATOM 0 H LYS A 73 4.806 11.997 -2.146 1.00 0.24 H new ATOM 0 HA LYS A 73 2.429 11.268 -0.547 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.237 13.599 -0.470 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.203 13.684 -2.220 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.600 12.919 -1.531 1.00 1.00 H new ATOM 0 HG3 LYS A 73 1.048 14.077 -0.295 1.00 1.00 H new ATOM 0 HD2 LYS A 73 0.221 15.461 -1.988 1.00 0.70 H new ATOM 0 HD3 LYS A 73 1.949 15.522 -2.273 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.775 13.804 -4.004 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.071 13.580 -3.659 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 0.397 14.982 -5.590 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.341 15.871 -4.346 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 1.309 16.088 -4.681 1.00 0.64 H new ATOM 730 N ALA A 74 0.890 10.957 -2.576 1.00 0.21 N ATOM 731 CA ALA A 74 0.103 10.538 -3.728 1.00 0.22 C ATOM 732 C ALA A 74 -1.335 10.989 -3.580 1.00 0.26 C ATOM 733 O ALA A 74 -1.772 11.316 -2.486 1.00 0.41 O ATOM 734 CB ALA A 74 0.149 9.026 -3.900 1.00 0.23 C ATOM 0 H ALA A 74 0.356 11.052 -1.712 1.00 0.21 H new ATOM 0 HA ALA A 74 0.536 11.003 -4.613 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.447 8.740 -4.767 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.181 8.708 -4.048 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.254 8.546 -3.008 1.00 0.23 H new ATOM 740 N VAL A 75 -2.055 11.046 -4.676 1.00 0.28 N ATOM 741 CA VAL A 75 -3.492 11.193 -4.614 1.00 0.33 C ATOM 742 C VAL A 75 -4.119 9.982 -5.275 1.00 0.29 C ATOM 743 O VAL A 75 -3.699 9.565 -6.357 1.00 0.29 O ATOM 744 CB VAL A 75 -3.983 12.488 -5.280 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.483 12.653 -5.105 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.245 13.690 -4.713 1.00 0.80 C ATOM 0 H VAL A 75 -1.671 10.993 -5.620 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.791 11.260 -3.568 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.772 12.422 -6.347 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.806 13.577 -5.585 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.998 11.808 -5.562 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.723 12.693 -4.043 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.605 14.599 -5.196 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.424 13.754 -3.640 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.176 13.581 -4.897 1.00 0.80 H new ATOM 756 N TYR A 76 -5.101 9.409 -4.615 1.00 0.29 N ATOM 757 CA TYR A 76 -5.608 8.106 -4.997 1.00 0.25 C ATOM 758 C TYR A 76 -6.821 8.190 -5.910 1.00 0.29 C ATOM 759 O TYR A 76 -7.557 9.179 -5.920 1.00 0.42 O ATOM 760 CB TYR A 76 -5.928 7.262 -3.758 1.00 0.29 C ATOM 761 CG TYR A 76 -6.716 7.986 -2.692 1.00 0.38 C ATOM 762 CD1 TYR A 76 -8.104 8.017 -2.744 1.00 0.46 C ATOM 763 CD2 TYR A 76 -6.079 8.645 -1.651 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.836 8.686 -1.778 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.803 9.316 -0.682 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.155 9.306 -0.713 1.00 0.64 C ATOM 767 OH TYR A 76 -8.901 10.002 0.213 1.00 0.75 O ATOM 0 H TYR A 76 -5.567 9.825 -3.808 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.816 7.619 -5.566 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.488 6.380 -4.070 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.993 6.909 -3.323 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.619 7.513 -3.548 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -5.000 8.634 -1.596 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.913 8.732 -1.840 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.287 9.850 0.102 1.00 0.56 H new ATOM 0 HH TYR A 76 -8.456 9.967 1.085 1.00 0.75 H new ATOM 777 N SER A 77 -7.004 7.131 -6.675 1.00 0.25 N ATOM 778 CA SER A 77 -8.117 7.005 -7.593 1.00 0.29 C ATOM 779 C SER A 77 -8.620 5.568 -7.564 1.00 0.23 C ATOM 780 O SER A 77 -7.875 4.664 -7.193 1.00 0.26 O ATOM 781 CB SER A 77 -7.683 7.385 -9.002 1.00 0.39 C ATOM 782 OG SER A 77 -6.958 8.605 -9.006 1.00 0.98 O ATOM 0 H SER A 77 -6.377 6.326 -6.676 1.00 0.25 H new ATOM 0 HA SER A 77 -8.919 7.678 -7.291 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.065 6.591 -9.421 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.560 7.478 -9.642 1.00 0.39 H new ATOM 0 HG SER A 77 -6.691 8.824 -9.923 1.00 0.98 H new ATOM 788 N PHE A 78 -9.874 5.359 -7.930 1.00 0.20 N ATOM 789 CA PHE A 78 -10.450 4.024 -7.938 1.00 0.20 C ATOM 790 C PHE A 78 -11.056 3.715 -9.296 1.00 0.22 C ATOM 791 O PHE A 78 -11.837 4.505 -9.827 1.00 0.28 O ATOM 792 CB PHE A 78 -11.519 3.890 -6.850 1.00 0.24 C ATOM 793 CG PHE A 78 -10.978 3.992 -5.454 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.355 2.910 -4.854 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.094 5.173 -4.740 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.856 3.005 -3.570 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.597 5.276 -3.456 1.00 0.47 C ATOM 798 CZ PHE A 78 -9.973 4.173 -2.869 1.00 0.50 C ATOM 0 H PHE A 78 -10.513 6.097 -8.226 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.652 3.310 -7.735 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.272 4.665 -6.996 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -12.023 2.930 -6.965 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.258 1.981 -5.397 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.580 6.024 -5.193 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.371 2.153 -3.117 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.690 6.203 -2.909 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.584 4.243 -1.864 1.00 0.50 H new ATOM 808 N ASN A 79 -10.688 2.577 -9.865 1.00 0.21 N ATOM 809 CA ASN A 79 -11.231 2.175 -11.154 1.00 0.23 C ATOM 810 C ASN A 79 -11.542 0.686 -11.163 1.00 0.26 C ATOM 811 O ASN A 79 -10.635 -0.142 -11.113 1.00 0.31 O ATOM 812 CB ASN A 79 -10.258 2.516 -12.280 1.00 0.31 C ATOM 813 CG ASN A 79 -10.884 2.345 -13.650 1.00 0.45 C ATOM 814 OD1 ASN A 79 -12.094 2.495 -13.817 1.00 0.77 O ATOM 815 ND2 ASN A 79 -10.065 2.041 -14.644 1.00 0.59 N ATOM 0 H ASN A 79 -10.021 1.920 -9.459 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.157 2.726 -11.318 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.917 3.545 -12.164 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.378 1.878 -12.203 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.431 1.923 -15.589 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -9.067 1.925 -14.466 1.00 0.59 H new ATOM 822 N ALA A 80 -12.832 0.362 -11.197 1.00 0.28 N ATOM 823 CA ALA A 80 -13.306 -1.024 -11.243 1.00 0.38 C ATOM 824 C ALA A 80 -12.834 -1.828 -10.029 1.00 0.46 C ATOM 825 O ALA A 80 -12.616 -3.041 -10.116 1.00 0.95 O ATOM 826 CB ALA A 80 -12.867 -1.699 -12.538 1.00 0.45 C ATOM 0 H ALA A 80 -13.582 1.053 -11.194 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.395 -0.998 -11.214 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.229 -2.727 -12.553 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.279 -1.157 -13.389 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.779 -1.696 -12.599 1.00 0.45 H new ATOM 832 N GLY A 81 -12.692 -1.157 -8.892 1.00 0.24 N ATOM 833 CA GLY A 81 -12.239 -1.820 -7.690 1.00 0.21 C ATOM 834 C GLY A 81 -10.729 -1.876 -7.601 1.00 0.21 C ATOM 835 O GLY A 81 -10.174 -2.601 -6.776 1.00 0.31 O ATOM 0 H GLY A 81 -12.884 -0.161 -8.784 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.633 -1.297 -6.819 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.640 -2.833 -7.663 1.00 0.21 H new ATOM 839 N LYS A 82 -10.060 -1.138 -8.469 1.00 0.19 N ATOM 840 CA LYS A 82 -8.618 -1.016 -8.409 1.00 0.20 C ATOM 841 C LYS A 82 -8.235 0.281 -7.714 1.00 0.20 C ATOM 842 O LYS A 82 -8.674 1.359 -8.112 1.00 0.26 O ATOM 843 CB LYS A 82 -8.017 -1.044 -9.811 1.00 0.23 C ATOM 844 CG LYS A 82 -8.108 -2.394 -10.497 1.00 0.26 C ATOM 845 CD LYS A 82 -7.458 -3.475 -9.659 1.00 0.23 C ATOM 846 CE LYS A 82 -7.228 -4.742 -10.464 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.182 -4.556 -11.506 1.00 1.32 N ATOM 0 H LYS A 82 -10.497 -0.613 -9.226 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.225 -1.860 -7.843 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.523 -0.301 -10.427 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.970 -0.748 -9.752 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.154 -2.646 -10.674 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.623 -2.344 -11.472 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.507 -3.112 -9.270 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.089 -3.699 -8.799 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.933 -5.549 -9.794 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.162 -5.046 -10.937 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.754 -5.475 -11.736 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.613 -4.151 -12.362 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.448 -3.912 -11.150 1.00 1.32 H new ATOM 861 N PHE A 83 -7.416 0.165 -6.685 1.00 0.16 N ATOM 862 CA PHE A 83 -6.972 1.314 -5.913 1.00 0.16 C ATOM 863 C PHE A 83 -5.664 1.855 -6.475 1.00 0.16 C ATOM 864 O PHE A 83 -4.687 1.122 -6.632 1.00 0.17 O ATOM 865 CB PHE A 83 -6.844 0.914 -4.429 1.00 0.15 C ATOM 866 CG PHE A 83 -5.854 1.712 -3.624 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.216 2.916 -3.043 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.560 1.242 -3.440 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.307 3.633 -2.293 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.647 1.957 -2.690 1.00 0.22 C ATOM 871 CZ PHE A 83 -4.024 3.155 -2.120 1.00 0.22 C ATOM 0 H PHE A 83 -7.040 -0.726 -6.360 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.707 2.116 -5.985 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.824 1.006 -3.961 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.563 -0.138 -4.378 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.218 3.296 -3.178 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.264 0.305 -3.889 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.600 4.569 -1.841 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.644 1.581 -2.551 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.313 3.721 -1.536 1.00 0.22 H new ATOM 881 N MET A 84 -5.664 3.137 -6.803 1.00 0.19 N ATOM 882 CA MET A 84 -4.520 3.764 -7.438 1.00 0.19 C ATOM 883 C MET A 84 -4.019 4.941 -6.635 1.00 0.24 C ATOM 884 O MET A 84 -4.688 5.405 -5.720 1.00 0.44 O ATOM 885 CB MET A 84 -4.896 4.228 -8.839 1.00 0.22 C ATOM 886 CG MET A 84 -5.536 3.136 -9.652 1.00 0.21 C ATOM 887 SD MET A 84 -5.999 3.645 -11.305 1.00 0.25 S ATOM 888 CE MET A 84 -6.482 2.045 -11.919 1.00 0.23 C ATOM 0 H MET A 84 -6.450 3.766 -6.638 1.00 0.19 H new ATOM 0 HA MET A 84 -3.721 3.024 -7.494 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.581 5.073 -8.767 1.00 0.22 H new ATOM 0 HB3 MET A 84 -4.003 4.584 -9.353 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.846 2.295 -9.720 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.424 2.779 -9.130 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.141 2.169 -12.779 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.595 1.487 -12.219 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.007 1.498 -11.136 1.00 0.23 H new ATOM 898 N GLY A 85 -2.841 5.419 -6.991 1.00 0.19 N ATOM 899 CA GLY A 85 -2.274 6.572 -6.334 1.00 0.23 C ATOM 900 C GLY A 85 -1.122 7.146 -7.119 1.00 0.30 C ATOM 901 O GLY A 85 -0.088 6.503 -7.249 1.00 0.61 O ATOM 0 H GLY A 85 -2.262 5.024 -7.732 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -3.043 7.334 -6.206 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.933 6.293 -5.337 1.00 0.23 H new ATOM 905 N ASN A 86 -1.293 8.339 -7.666 1.00 0.27 N ATOM 906 CA ASN A 86 -0.210 8.973 -8.401 1.00 0.30 C ATOM 907 C ASN A 86 0.781 9.561 -7.413 1.00 0.24 C ATOM 908 O ASN A 86 0.448 10.482 -6.673 1.00 0.23 O ATOM 909 CB ASN A 86 -0.726 10.071 -9.329 1.00 0.41 C ATOM 910 CG ASN A 86 0.341 10.528 -10.302 1.00 0.58 C ATOM 911 OD1 ASN A 86 0.393 10.074 -11.445 1.00 1.51 O ATOM 912 ND2 ASN A 86 1.233 11.382 -9.841 1.00 0.93 N ATOM 0 H ASN A 86 -2.156 8.880 -7.617 1.00 0.27 H new ATOM 0 HA ASN A 86 0.274 8.217 -9.020 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.590 9.704 -9.882 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -1.065 10.920 -8.735 1.00 0.41 H new ATOM 0 HD21 ASN A 86 2.001 11.689 -10.438 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.155 11.736 -8.887 1.00 0.93 H new ATOM 919 N PHE A 87 1.995 9.043 -7.417 1.00 0.23 N ATOM 920 CA PHE A 87 2.955 9.375 -6.378 1.00 0.20 C ATOM 921 C PHE A 87 3.899 10.491 -6.768 1.00 0.22 C ATOM 922 O PHE A 87 4.187 10.731 -7.942 1.00 0.30 O ATOM 923 CB PHE A 87 3.778 8.151 -5.974 1.00 0.24 C ATOM 924 CG PHE A 87 3.045 7.198 -5.078 1.00 0.20 C ATOM 925 CD1 PHE A 87 3.069 7.376 -3.707 1.00 0.23 C ATOM 926 CD2 PHE A 87 2.333 6.136 -5.601 1.00 0.23 C ATOM 927 CE1 PHE A 87 2.393 6.514 -2.872 1.00 0.27 C ATOM 928 CE2 PHE A 87 1.653 5.266 -4.773 1.00 0.27 C ATOM 929 CZ PHE A 87 1.681 5.454 -3.405 1.00 0.28 C ATOM 0 H PHE A 87 2.340 8.394 -8.124 1.00 0.23 H new ATOM 0 HA PHE A 87 2.358 9.722 -5.534 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.090 7.622 -6.874 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.685 8.485 -5.470 1.00 0.24 H new ATOM 0 HD1 PHE A 87 3.624 8.201 -3.286 1.00 0.23 H new ATOM 0 HD2 PHE A 87 2.308 5.985 -6.670 1.00 0.23 H new ATOM 0 HE1 PHE A 87 2.419 6.665 -1.803 1.00 0.27 H new ATOM 0 HE2 PHE A 87 1.100 4.440 -5.194 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.149 4.776 -2.754 1.00 0.28 H new ATOM 939 N ASN A 88 4.354 11.163 -5.738 1.00 0.21 N ATOM 940 CA ASN A 88 5.435 12.121 -5.806 1.00 0.26 C ATOM 941 C ASN A 88 6.420 11.786 -4.703 1.00 0.27 C ATOM 942 O ASN A 88 6.392 12.386 -3.628 1.00 0.42 O ATOM 943 CB ASN A 88 4.932 13.548 -5.626 1.00 0.34 C ATOM 944 CG ASN A 88 4.221 14.084 -6.850 1.00 1.15 C ATOM 945 OD1 ASN A 88 3.009 13.928 -6.996 1.00 2.02 O ATOM 946 ND2 ASN A 88 4.967 14.728 -7.733 1.00 1.66 N ATOM 0 H ASN A 88 3.971 11.056 -4.799 1.00 0.21 H new ATOM 0 HA ASN A 88 5.906 12.063 -6.787 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.253 13.583 -4.774 1.00 0.34 H new ATOM 0 HB3 ASN A 88 5.775 14.197 -5.389 1.00 0.34 H new ATOM 0 HD21 ASN A 88 4.540 15.118 -8.574 1.00 1.66 H new ATOM 0 HD22 ASN A 88 5.969 14.835 -7.573 1.00 1.66 H new ATOM 953 N VAL A 89 7.263 10.803 -4.952 1.00 0.24 N ATOM 954 CA VAL A 89 8.106 10.260 -3.904 1.00 0.24 C ATOM 955 C VAL A 89 9.457 10.945 -3.887 1.00 0.30 C ATOM 956 O VAL A 89 10.014 11.280 -4.932 1.00 0.34 O ATOM 957 CB VAL A 89 8.340 8.737 -4.050 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.350 8.069 -2.698 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.297 8.089 -4.957 1.00 0.25 C ATOM 0 H VAL A 89 7.383 10.366 -5.866 1.00 0.24 H new ATOM 0 HA VAL A 89 7.572 10.442 -2.972 1.00 0.24 H new ATOM 0 HB VAL A 89 9.315 8.600 -4.517 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.516 6.999 -2.822 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.149 8.492 -2.089 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.392 8.233 -2.204 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.496 7.020 -5.034 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.303 8.244 -4.537 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.347 8.540 -5.948 1.00 0.25 H new ATOM 969 N LYS A 90 9.941 11.191 -2.693 1.00 0.33 N ATOM 970 CA LYS A 90 11.293 11.634 -2.478 1.00 0.41 C ATOM 971 C LYS A 90 12.060 10.485 -1.851 1.00 0.33 C ATOM 972 O LYS A 90 11.754 10.061 -0.735 1.00 0.35 O ATOM 973 CB LYS A 90 11.286 12.866 -1.576 1.00 0.54 C ATOM 974 CG LYS A 90 12.659 13.393 -1.216 1.00 0.99 C ATOM 975 CD LYS A 90 13.205 12.723 0.034 1.00 1.48 C ATOM 976 CE LYS A 90 14.565 13.275 0.427 1.00 2.27 C ATOM 977 NZ LYS A 90 14.507 14.722 0.754 1.00 2.81 N ATOM 0 H LYS A 90 9.399 11.087 -1.835 1.00 0.33 H new ATOM 0 HA LYS A 90 11.774 11.917 -3.414 1.00 0.41 H new ATOM 0 HB2 LYS A 90 10.725 13.659 -2.071 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.752 12.624 -0.657 1.00 0.54 H new ATOM 0 HG2 LYS A 90 13.343 13.226 -2.048 1.00 0.99 H new ATOM 0 HG3 LYS A 90 12.606 14.470 -1.059 1.00 0.99 H new ATOM 0 HD2 LYS A 90 12.504 12.865 0.857 1.00 1.48 H new ATOM 0 HD3 LYS A 90 13.285 11.649 -0.135 1.00 1.48 H new ATOM 0 HE2 LYS A 90 14.944 12.724 1.288 1.00 2.27 H new ATOM 0 HE3 LYS A 90 15.270 13.116 -0.389 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 15.390 15.008 1.223 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 14.386 15.271 -0.121 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 13.704 14.902 1.390 1.00 2.81 H new ATOM 991 N GLU A 91 13.023 9.952 -2.572 1.00 0.41 N ATOM 992 CA GLU A 91 13.723 8.777 -2.108 1.00 0.44 C ATOM 993 C GLU A 91 15.199 8.799 -2.487 1.00 0.46 C ATOM 994 O GLU A 91 15.596 9.296 -3.541 1.00 0.62 O ATOM 995 CB GLU A 91 13.030 7.510 -2.618 1.00 0.72 C ATOM 996 CG GLU A 91 13.258 7.151 -4.074 1.00 0.52 C ATOM 997 CD GLU A 91 12.798 8.215 -5.052 1.00 1.20 C ATOM 998 OE1 GLU A 91 11.586 8.493 -5.108 1.00 1.57 O ATOM 999 OE2 GLU A 91 13.648 8.772 -5.781 1.00 1.68 O ATOM 0 H GLU A 91 13.336 10.311 -3.474 1.00 0.41 H new ATOM 0 HA GLU A 91 13.685 8.776 -1.019 1.00 0.44 H new ATOM 0 HB2 GLU A 91 13.359 6.671 -2.005 1.00 0.72 H new ATOM 0 HB3 GLU A 91 11.957 7.620 -2.458 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.321 6.965 -4.229 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.736 6.220 -4.294 1.00 0.52 H new ATOM 1006 N VAL A 92 15.997 8.264 -1.580 1.00 0.45 N ATOM 1007 CA VAL A 92 17.437 8.197 -1.725 1.00 0.43 C ATOM 1008 C VAL A 92 17.830 6.968 -2.531 1.00 0.41 C ATOM 1009 O VAL A 92 17.045 6.044 -2.693 1.00 0.40 O ATOM 1010 CB VAL A 92 18.127 8.125 -0.348 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.765 9.311 0.509 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.759 6.849 0.359 1.00 0.40 C ATOM 0 H VAL A 92 15.655 7.858 -0.709 1.00 0.45 H new ATOM 0 HA VAL A 92 17.759 9.100 -2.243 1.00 0.43 H new ATOM 0 HB VAL A 92 19.204 8.142 -0.516 1.00 0.44 H new ATOM 0 HG11 VAL A 92 18.267 9.230 1.473 1.00 0.53 H new ATOM 0 HG12 VAL A 92 18.079 10.229 0.012 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.686 9.333 0.663 1.00 0.53 H new ATOM 0 HG21 VAL A 92 18.255 6.815 1.329 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.679 6.811 0.502 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.076 5.996 -0.241 1.00 0.40 H new ATOM 1022 N ASP A 93 19.024 6.978 -3.059 1.00 0.44 N ATOM 1023 CA ASP A 93 19.557 5.819 -3.756 1.00 0.45 C ATOM 1024 C ASP A 93 20.726 5.256 -2.977 1.00 0.46 C ATOM 1025 O ASP A 93 21.561 5.999 -2.464 1.00 0.57 O ATOM 1026 CB ASP A 93 19.970 6.205 -5.169 1.00 0.56 C ATOM 1027 CG ASP A 93 20.497 5.040 -5.977 1.00 1.17 C ATOM 1028 OD1 ASP A 93 19.694 4.162 -6.344 1.00 1.78 O ATOM 1029 OD2 ASP A 93 21.710 5.018 -6.276 1.00 1.83 O ATOM 0 H ASP A 93 19.657 7.777 -3.024 1.00 0.44 H new ATOM 0 HA ASP A 93 18.789 5.049 -3.831 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.113 6.638 -5.685 1.00 0.56 H new ATOM 0 HB3 ASP A 93 20.736 6.979 -5.118 1.00 0.56 H new ATOM 1034 N GLY A 94 20.759 3.944 -2.873 1.00 0.42 N ATOM 1035 CA GLY A 94 21.724 3.291 -2.014 1.00 0.43 C ATOM 1036 C GLY A 94 21.073 2.720 -0.765 1.00 0.40 C ATOM 1037 O GLY A 94 21.489 1.680 -0.258 1.00 0.48 O ATOM 0 H GLY A 94 20.132 3.311 -3.370 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.218 2.490 -2.565 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.497 4.004 -1.727 1.00 0.43 H new ATOM 1041 N CYS A 95 20.029 3.391 -0.278 1.00 0.33 N ATOM 1042 CA CYS A 95 19.310 2.938 0.915 1.00 0.31 C ATOM 1043 C CYS A 95 18.373 1.817 0.536 1.00 0.27 C ATOM 1044 O CYS A 95 18.201 0.841 1.265 1.00 0.32 O ATOM 1045 CB CYS A 95 18.516 4.084 1.537 1.00 0.33 C ATOM 1046 SG CYS A 95 17.628 3.633 3.065 1.00 0.42 S ATOM 0 H CYS A 95 19.662 4.249 -0.690 1.00 0.33 H new ATOM 0 HA CYS A 95 20.035 2.584 1.649 1.00 0.31 H new ATOM 0 HB2 CYS A 95 19.197 4.907 1.755 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.796 4.451 0.806 1.00 0.33 H new ATOM 1051 N PHE A 96 17.778 1.966 -0.628 1.00 0.24 N ATOM 1052 CA PHE A 96 16.941 0.934 -1.198 1.00 0.23 C ATOM 1053 C PHE A 96 17.796 0.081 -2.117 1.00 0.24 C ATOM 1054 O PHE A 96 17.296 -0.498 -3.075 1.00 0.23 O ATOM 1055 CB PHE A 96 15.776 1.552 -1.981 1.00 0.24 C ATOM 1056 CG PHE A 96 15.136 2.707 -1.271 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.713 3.942 -1.368 1.00 0.30 C ATOM 1058 CD2 PHE A 96 14.002 2.564 -0.490 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.190 5.026 -0.703 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.467 3.645 0.170 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.071 4.875 0.069 1.00 0.31 C ATOM 0 H PHE A 96 17.861 2.804 -1.204 1.00 0.24 H new ATOM 0 HA PHE A 96 16.519 0.322 -0.401 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.137 1.886 -2.954 1.00 0.24 H new ATOM 0 HB3 PHE A 96 15.024 0.785 -2.166 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.595 4.069 -1.978 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.534 1.595 -0.398 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.661 5.994 -0.790 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.574 3.528 0.766 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.662 5.723 0.599 1.00 0.31 H new ATOM 1071 N MET A 97 19.093 0.015 -1.803 1.00 0.27 N ATOM 1072 CA MET A 97 20.054 -0.714 -2.611 1.00 0.29 C ATOM 1073 C MET A 97 19.795 -0.482 -4.091 1.00 0.31 C ATOM 1074 O MET A 97 19.600 0.656 -4.532 1.00 0.40 O ATOM 1075 CB MET A 97 19.974 -2.202 -2.282 1.00 0.29 C ATOM 1076 CG MET A 97 20.215 -2.506 -0.821 1.00 0.33 C ATOM 1077 SD MET A 97 20.458 -4.264 -0.520 1.00 0.45 S ATOM 1078 CE MET A 97 20.716 -4.243 1.245 1.00 1.22 C ATOM 0 H MET A 97 19.498 0.466 -0.983 1.00 0.27 H new ATOM 0 HA MET A 97 21.056 -0.351 -2.383 1.00 0.29 H new ATOM 0 HB2 MET A 97 18.991 -2.577 -2.567 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.707 -2.740 -2.883 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.091 -1.956 -0.478 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.367 -2.153 -0.234 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.883 -5.260 1.600 1.00 1.22 H new ATOM 0 HE2 MET A 97 21.586 -3.629 1.478 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.836 -3.827 1.736 1.00 1.22 H new ATOM 1088 N ASP A 98 19.779 -1.557 -4.849 1.00 0.30 N ATOM 1089 CA ASP A 98 19.384 -1.492 -6.234 1.00 0.31 C ATOM 1090 C ASP A 98 18.065 -2.201 -6.393 1.00 0.26 C ATOM 1091 O ASP A 98 17.122 -1.665 -6.968 1.00 0.25 O ATOM 1092 CB ASP A 98 20.419 -2.171 -7.128 1.00 0.40 C ATOM 1093 CG ASP A 98 21.846 -1.842 -6.754 1.00 1.01 C ATOM 1094 OD1 ASP A 98 22.392 -0.845 -7.269 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.435 -2.593 -5.944 1.00 1.19 O ATOM 0 H ASP A 98 20.037 -2.489 -4.525 1.00 0.30 H new ATOM 0 HA ASP A 98 19.301 -0.446 -6.528 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.278 -3.251 -7.078 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.245 -1.874 -8.162 1.00 0.40 H new ATOM 1100 N ALA A 99 17.990 -3.388 -5.816 1.00 0.24 N ATOM 1101 CA ALA A 99 16.877 -4.273 -6.069 1.00 0.24 C ATOM 1102 C ALA A 99 15.677 -3.876 -5.240 1.00 0.20 C ATOM 1103 O ALA A 99 14.534 -4.131 -5.614 1.00 0.20 O ATOM 1104 CB ALA A 99 17.271 -5.712 -5.798 1.00 0.28 C ATOM 0 H ALA A 99 18.688 -3.757 -5.170 1.00 0.24 H new ATOM 0 HA ALA A 99 16.601 -4.187 -7.120 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.421 -6.365 -5.994 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.100 -5.991 -6.448 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.576 -5.816 -4.757 1.00 0.28 H new ATOM 1110 N GLN A 100 15.949 -3.236 -4.118 1.00 0.18 N ATOM 1111 CA GLN A 100 14.898 -2.757 -3.240 1.00 0.16 C ATOM 1112 C GLN A 100 14.224 -1.565 -3.884 1.00 0.14 C ATOM 1113 O GLN A 100 13.015 -1.384 -3.798 1.00 0.13 O ATOM 1114 CB GLN A 100 15.468 -2.345 -1.888 1.00 0.19 C ATOM 1115 CG GLN A 100 16.471 -3.333 -1.308 1.00 0.23 C ATOM 1116 CD GLN A 100 16.845 -3.022 0.129 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.177 -3.912 0.905 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.783 -1.753 0.499 1.00 1.27 N ATOM 0 H GLN A 100 16.894 -3.035 -3.792 1.00 0.18 H new ATOM 0 HA GLN A 100 14.178 -3.560 -3.082 1.00 0.16 H new ATOM 0 HB2 GLN A 100 15.950 -1.373 -1.990 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.647 -2.221 -1.182 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.054 -4.339 -1.360 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.372 -3.330 -1.921 1.00 0.23 H new ATOM 0 HE21 GLN A 100 16.503 -1.039 -0.173 1.00 1.27 H new ATOM 0 HE22 GLN A 100 17.015 -1.489 1.456 1.00 1.27 H new ATOM 1127 N LYS A 101 15.042 -0.751 -4.523 1.00 0.16 N ATOM 1128 CA LYS A 101 14.567 0.387 -5.280 1.00 0.17 C ATOM 1129 C LYS A 101 13.713 -0.083 -6.447 1.00 0.17 C ATOM 1130 O LYS A 101 12.613 0.417 -6.665 1.00 0.17 O ATOM 1131 CB LYS A 101 15.758 1.203 -5.773 1.00 0.23 C ATOM 1132 CG LYS A 101 15.363 2.458 -6.501 1.00 0.28 C ATOM 1133 CD LYS A 101 16.580 3.301 -6.833 1.00 0.50 C ATOM 1134 CE LYS A 101 16.200 4.606 -7.511 1.00 1.21 C ATOM 1135 NZ LYS A 101 17.401 5.398 -7.885 1.00 1.85 N ATOM 0 H LYS A 101 16.056 -0.862 -4.531 1.00 0.16 H new ATOM 0 HA LYS A 101 13.950 1.019 -4.641 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.385 1.468 -4.921 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.364 0.584 -6.434 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.834 2.199 -7.418 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.672 3.036 -5.887 1.00 0.28 H new ATOM 0 HD2 LYS A 101 17.133 3.515 -5.919 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.247 2.735 -7.484 1.00 0.50 H new ATOM 0 HE2 LYS A 101 15.610 4.395 -8.403 1.00 1.21 H new ATOM 0 HE3 LYS A 101 15.569 5.193 -6.844 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 17.257 6.393 -7.619 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 18.233 5.023 -7.386 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 17.554 5.333 -8.912 1.00 1.85 H new ATOM 1149 N ILE A 102 14.237 -1.040 -7.199 1.00 0.17 N ATOM 1150 CA ILE A 102 13.462 -1.737 -8.217 1.00 0.18 C ATOM 1151 C ILE A 102 12.154 -2.273 -7.640 1.00 0.15 C ATOM 1152 O ILE A 102 11.090 -2.082 -8.224 1.00 0.15 O ATOM 1153 CB ILE A 102 14.275 -2.900 -8.799 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.560 -2.353 -9.412 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.466 -3.669 -9.839 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.580 -3.414 -9.738 1.00 0.25 C ATOM 0 H ILE A 102 15.204 -1.354 -7.122 1.00 0.17 H new ATOM 0 HA ILE A 102 13.229 -1.022 -9.007 1.00 0.18 H new ATOM 0 HB ILE A 102 14.523 -3.597 -7.998 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.313 -1.808 -10.323 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.004 -1.636 -8.722 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.067 -4.488 -10.235 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.566 -4.071 -9.375 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.187 -2.998 -10.651 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.465 -2.947 -10.170 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.857 -3.944 -8.827 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.156 -4.119 -10.453 1.00 0.25 H new ATOM 1168 N ALA A 103 12.251 -2.938 -6.487 1.00 0.13 N ATOM 1169 CA ALA A 103 11.085 -3.439 -5.762 1.00 0.11 C ATOM 1170 C ALA A 103 10.066 -2.331 -5.543 1.00 0.10 C ATOM 1171 O ALA A 103 8.863 -2.529 -5.686 1.00 0.10 O ATOM 1172 CB ALA A 103 11.515 -3.991 -4.417 1.00 0.11 C ATOM 0 H ALA A 103 13.140 -3.143 -6.031 1.00 0.13 H new ATOM 0 HA ALA A 103 10.626 -4.227 -6.359 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.642 -4.363 -3.881 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.223 -4.806 -4.568 1.00 0.11 H new ATOM 0 HB3 ALA A 103 11.989 -3.201 -3.834 1.00 0.11 H new ATOM 1178 N ILE A 104 10.577 -1.162 -5.207 1.00 0.10 N ATOM 1179 CA ILE A 104 9.766 -0.009 -4.880 1.00 0.11 C ATOM 1180 C ILE A 104 9.152 0.603 -6.125 1.00 0.12 C ATOM 1181 O ILE A 104 7.998 1.030 -6.113 1.00 0.13 O ATOM 1182 CB ILE A 104 10.631 1.009 -4.123 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.785 0.540 -2.694 1.00 0.14 C ATOM 1184 CG2 ILE A 104 10.088 2.428 -4.155 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.377 1.589 -1.809 1.00 0.17 C ATOM 0 H ILE A 104 11.580 -0.986 -5.153 1.00 0.10 H new ATOM 0 HA ILE A 104 8.938 -0.319 -4.243 1.00 0.11 H new ATOM 0 HB ILE A 104 11.595 1.055 -4.630 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.810 0.248 -2.304 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.417 -0.348 -2.672 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.756 3.086 -3.598 1.00 0.15 H new ATOM 0 HG22 ILE A 104 10.021 2.769 -5.188 1.00 0.15 H new ATOM 0 HG23 ILE A 104 9.097 2.449 -3.701 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.466 1.201 -0.794 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.364 1.864 -2.180 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.733 2.468 -1.806 1.00 0.17 H new ATOM 1197 N ASP A 105 9.922 0.626 -7.196 1.00 0.13 N ATOM 1198 CA ASP A 105 9.418 1.066 -8.491 1.00 0.16 C ATOM 1199 C ASP A 105 8.302 0.138 -8.930 1.00 0.14 C ATOM 1200 O ASP A 105 7.260 0.568 -9.429 1.00 0.17 O ATOM 1201 CB ASP A 105 10.528 1.049 -9.526 1.00 0.21 C ATOM 1202 CG ASP A 105 10.105 1.670 -10.841 1.00 0.36 C ATOM 1203 OD1 ASP A 105 9.987 2.911 -10.906 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.889 0.923 -11.818 1.00 0.44 O ATOM 0 H ASP A 105 10.903 0.345 -7.199 1.00 0.13 H new ATOM 0 HA ASP A 105 9.042 2.085 -8.400 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.392 1.586 -9.136 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.843 0.020 -9.699 1.00 0.21 H new ATOM 1209 N LYS A 106 8.551 -1.145 -8.730 1.00 0.13 N ATOM 1210 CA LYS A 106 7.558 -2.182 -8.970 1.00 0.13 C ATOM 1211 C LYS A 106 6.299 -1.923 -8.147 1.00 0.12 C ATOM 1212 O LYS A 106 5.194 -1.910 -8.679 1.00 0.14 O ATOM 1213 CB LYS A 106 8.128 -3.549 -8.589 1.00 0.14 C ATOM 1214 CG LYS A 106 9.196 -4.072 -9.523 1.00 0.16 C ATOM 1215 CD LYS A 106 10.066 -5.114 -8.831 1.00 0.18 C ATOM 1216 CE LYS A 106 10.897 -5.909 -9.823 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.928 -6.743 -9.149 1.00 0.29 N ATOM 0 H LYS A 106 9.448 -1.499 -8.396 1.00 0.13 H new ATOM 0 HA LYS A 106 7.302 -2.169 -10.030 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.543 -3.487 -7.583 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.312 -4.270 -8.553 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.729 -4.511 -10.405 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.818 -3.246 -9.869 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.726 -4.620 -8.118 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.433 -5.794 -8.261 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.242 -6.550 -10.412 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.383 -5.225 -10.518 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.038 -7.641 -9.662 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.835 -6.235 -9.142 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.632 -6.937 -8.171 1.00 0.29 H new ATOM 1231 N LEU A 107 6.486 -1.696 -6.849 1.00 0.10 N ATOM 1232 CA LEU A 107 5.378 -1.487 -5.930 1.00 0.11 C ATOM 1233 C LEU A 107 4.598 -0.219 -6.269 1.00 0.10 C ATOM 1234 O LEU A 107 3.372 -0.243 -6.327 1.00 0.11 O ATOM 1235 CB LEU A 107 5.905 -1.457 -4.476 1.00 0.13 C ATOM 1236 CG LEU A 107 5.711 -0.154 -3.686 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.290 -0.024 -3.161 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.701 -0.089 -2.538 1.00 0.15 C ATOM 0 H LEU A 107 7.406 -1.653 -6.410 1.00 0.10 H new ATOM 0 HA LEU A 107 4.681 -2.319 -6.032 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.420 -2.262 -3.924 1.00 0.13 H new ATOM 0 HB3 LEU A 107 6.971 -1.683 -4.498 1.00 0.13 H new ATOM 0 HG LEU A 107 5.891 0.679 -4.366 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.191 0.910 -2.607 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.591 -0.026 -3.998 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.068 -0.862 -2.501 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.555 0.838 -1.984 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.543 -0.938 -1.873 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.717 -0.121 -2.931 1.00 0.15 H new ATOM 1250 N PHE A 108 5.303 0.874 -6.510 1.00 0.10 N ATOM 1251 CA PHE A 108 4.650 2.157 -6.741 1.00 0.11 C ATOM 1252 C PHE A 108 3.911 2.211 -8.074 1.00 0.12 C ATOM 1253 O PHE A 108 2.850 2.829 -8.168 1.00 0.14 O ATOM 1254 CB PHE A 108 5.640 3.312 -6.621 1.00 0.12 C ATOM 1255 CG PHE A 108 5.875 3.729 -5.196 1.00 0.12 C ATOM 1256 CD1 PHE A 108 4.860 3.617 -4.259 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.094 4.244 -4.794 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.055 4.007 -2.953 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.296 4.636 -3.484 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.273 4.516 -2.562 1.00 0.14 C ATOM 0 H PHE A 108 6.322 0.902 -6.551 1.00 0.10 H new ATOM 0 HA PHE A 108 3.898 2.265 -5.959 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.589 3.020 -7.071 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.267 4.165 -7.188 1.00 0.12 H new ATOM 0 HD1 PHE A 108 3.902 3.218 -4.558 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.896 4.341 -5.511 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.253 3.914 -2.236 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.252 5.036 -3.181 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.429 4.821 -1.538 1.00 0.14 H new ATOM 1270 N SER A 109 4.449 1.565 -9.096 1.00 0.13 N ATOM 1271 CA SER A 109 3.762 1.484 -10.374 1.00 0.14 C ATOM 1272 C SER A 109 2.505 0.627 -10.244 1.00 0.14 C ATOM 1273 O SER A 109 1.530 0.827 -10.966 1.00 0.16 O ATOM 1274 CB SER A 109 4.703 0.921 -11.435 1.00 0.17 C ATOM 1275 OG SER A 109 5.185 -0.360 -11.069 1.00 1.14 O ATOM 0 H SER A 109 5.352 1.093 -9.066 1.00 0.13 H new ATOM 0 HA SER A 109 3.457 2.484 -10.682 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.181 0.856 -12.390 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.543 1.601 -11.577 1.00 0.17 H new ATOM 0 HG SER A 109 5.962 -0.261 -10.480 1.00 1.14 H new ATOM 1281 N MET A 110 2.532 -0.312 -9.300 1.00 0.13 N ATOM 1282 CA MET A 110 1.402 -1.204 -9.063 1.00 0.14 C ATOM 1283 C MET A 110 0.140 -0.447 -8.704 1.00 0.14 C ATOM 1284 O MET A 110 -0.903 -0.659 -9.317 1.00 0.16 O ATOM 1285 CB MET A 110 1.691 -2.161 -7.926 1.00 0.13 C ATOM 1286 CG MET A 110 2.627 -3.291 -8.259 1.00 0.17 C ATOM 1287 SD MET A 110 2.527 -4.571 -7.008 1.00 0.23 S ATOM 1288 CE MET A 110 2.298 -3.560 -5.552 1.00 0.14 C ATOM 0 H MET A 110 3.329 -0.474 -8.685 1.00 0.13 H new ATOM 0 HA MET A 110 1.252 -1.746 -9.997 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.112 -1.595 -7.095 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.748 -2.583 -7.579 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.374 -3.706 -9.235 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.649 -2.918 -8.326 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.550 -4.139 -4.664 1.00 0.14 H new ATOM 0 HE2 MET A 110 2.946 -2.685 -5.611 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.258 -3.238 -5.493 1.00 0.14 H new ATOM 1298 N LEU A 111 0.229 0.423 -7.695 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.945 1.151 -7.236 1.00 0.15 C ATOM 1300 C LEU A 111 -1.489 1.955 -8.390 1.00 0.17 C ATOM 1301 O LEU A 111 -2.681 1.976 -8.650 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.645 2.127 -6.087 1.00 0.17 C ATOM 1303 CG LEU A 111 0.225 1.629 -4.930 1.00 0.15 C ATOM 1304 CD1 LEU A 111 -0.006 0.153 -4.638 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.690 1.929 -5.199 1.00 0.15 C ATOM 0 H LEU A 111 1.090 0.635 -7.190 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.655 0.411 -6.867 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.162 3.006 -6.513 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.597 2.456 -5.671 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.071 2.171 -4.032 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.631 -0.158 -3.810 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -1.051 -0.006 -4.371 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.236 -0.435 -5.523 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.294 1.568 -4.366 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.001 1.429 -6.116 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.827 3.005 -5.307 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.574 2.585 -9.098 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.909 3.451 -10.205 1.00 0.22 C ATOM 1319 C LYS A 112 -1.520 2.660 -11.364 1.00 0.21 C ATOM 1320 O LYS A 112 -2.272 3.209 -12.172 1.00 0.24 O ATOM 1321 CB LYS A 112 0.348 4.175 -10.663 1.00 0.29 C ATOM 1322 CG LYS A 112 0.985 5.070 -9.600 1.00 0.36 C ATOM 1323 CD LYS A 112 2.206 5.757 -10.176 1.00 0.47 C ATOM 1324 CE LYS A 112 3.093 6.345 -9.100 1.00 1.22 C ATOM 1325 NZ LYS A 112 4.445 6.677 -9.633 1.00 1.82 N ATOM 0 H LYS A 112 0.427 2.509 -8.919 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.654 4.175 -9.875 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.081 3.436 -10.985 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.105 4.783 -11.534 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.265 5.813 -9.258 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.266 4.475 -8.731 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.779 5.041 -10.766 1.00 0.47 H new ATOM 0 HD3 LYS A 112 1.889 6.548 -10.855 1.00 0.47 H new ATOM 0 HE2 LYS A 112 2.629 7.244 -8.695 1.00 1.22 H new ATOM 0 HE3 LYS A 112 3.188 5.637 -8.277 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 5.029 7.078 -8.872 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 4.896 5.814 -9.998 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 4.354 7.371 -10.402 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.191 1.373 -11.449 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.776 0.502 -12.463 1.00 0.22 C ATOM 1341 C ASP A 113 -3.131 0.034 -11.986 1.00 0.21 C ATOM 1342 O ASP A 113 -4.008 -0.346 -12.764 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.869 -0.705 -12.677 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.351 -1.636 -13.775 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -0.977 -1.428 -14.950 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -2.138 -2.557 -13.477 1.00 0.46 O ATOM 0 H ASP A 113 -0.524 0.912 -10.830 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.883 1.046 -13.402 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.135 -0.357 -12.921 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.795 -1.264 -11.744 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.287 0.124 -10.688 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.517 -0.240 -10.041 1.00 0.17 C ATOM 1353 C GLY A 114 -4.345 -1.473 -9.190 1.00 0.15 C ATOM 1354 O GLY A 114 -4.526 -2.594 -9.666 1.00 0.18 O ATOM 0 H GLY A 114 -2.561 0.453 -10.052 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.863 0.587 -9.421 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.286 -0.418 -10.792 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.982 -1.270 -7.937 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.790 -2.371 -7.022 1.00 0.12 C ATOM 1360 C VAL A 115 -5.045 -2.537 -6.180 1.00 0.12 C ATOM 1361 O VAL A 115 -5.590 -1.566 -5.664 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.537 -2.158 -6.129 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.881 -2.019 -4.662 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.538 -3.269 -6.345 1.00 0.14 C ATOM 0 H VAL A 115 -3.815 -0.349 -7.532 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.615 -3.283 -7.593 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.087 -1.213 -6.433 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.967 -1.872 -4.086 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.539 -1.162 -4.522 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.385 -2.923 -4.319 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.667 -3.103 -5.711 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.996 -4.225 -6.090 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.229 -3.282 -7.390 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.534 -3.748 -6.085 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.717 -4.002 -5.304 1.00 0.13 C ATOM 1376 C VAL A 116 -6.361 -4.629 -3.964 1.00 0.10 C ATOM 1377 O VAL A 116 -5.672 -5.648 -3.890 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.728 -4.871 -6.074 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.065 -6.096 -6.663 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -8.905 -5.252 -5.189 1.00 0.23 C ATOM 0 H VAL A 116 -5.133 -4.570 -6.537 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.195 -3.042 -5.110 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.113 -4.277 -6.903 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.806 -6.688 -7.200 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.278 -5.788 -7.352 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.632 -6.696 -5.862 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.604 -5.866 -5.757 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.545 -5.815 -4.328 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.410 -4.349 -4.847 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.802 -3.965 -2.914 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.603 -4.424 -1.553 1.00 0.11 C ATOM 1392 C LEU A 117 -7.604 -5.545 -1.270 1.00 0.12 C ATOM 1393 O LEU A 117 -8.805 -5.351 -1.435 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.766 -3.232 -0.595 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.549 -2.278 -0.499 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.873 -2.073 -1.842 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -5.961 -0.929 0.068 1.00 0.24 C ATOM 0 H LEU A 117 -7.313 -3.085 -2.982 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.600 -4.825 -1.407 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.635 -2.653 -0.909 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -6.982 -3.617 0.402 1.00 0.15 H new ATOM 0 HG LEU A 117 -4.834 -2.754 0.172 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.026 -1.397 -1.724 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.521 -3.032 -2.223 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.585 -1.642 -2.546 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.089 -0.277 0.126 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.711 -0.476 -0.580 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.378 -1.066 1.066 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.085 -6.718 -0.889 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.855 -7.963 -0.761 1.00 0.18 C ATOM 1411 C LYS A 118 -6.890 -9.139 -0.868 1.00 0.22 C ATOM 1412 O LYS A 118 -5.796 -8.997 -1.413 1.00 0.27 O ATOM 1413 CB LYS A 118 -8.946 -8.110 -1.846 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.356 -7.776 -1.355 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.414 -7.997 -2.427 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.365 -6.932 -3.511 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.235 -7.273 -4.672 1.00 0.80 N ATOM 0 H LYS A 118 -6.098 -6.832 -0.656 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.361 -7.942 0.204 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.700 -7.459 -2.685 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -8.935 -9.133 -2.222 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.590 -8.391 -0.486 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.387 -6.737 -1.028 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.272 -8.979 -2.878 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.402 -7.998 -1.966 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.678 -5.975 -3.093 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.337 -6.810 -3.852 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.171 -6.520 -5.387 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -11.921 -8.173 -5.088 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.220 -7.364 -4.352 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.284 -10.288 -0.346 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.438 -11.458 -0.433 1.00 0.38 C ATOM 1433 C GLY A 119 -7.236 -12.738 -0.478 1.00 0.53 C ATOM 1434 O GLY A 119 -8.464 -12.703 -0.525 1.00 0.85 O ATOM 0 H GLY A 119 -8.172 -10.432 0.135 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -5.816 -11.389 -1.325 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.765 -11.482 0.424 1.00 0.38 H new ATOM 1519 N THR A 125 -6.241 -7.192 8.046 1.00 0.54 N ATOM 1520 CA THR A 125 -4.975 -6.949 7.389 1.00 0.40 C ATOM 1521 C THR A 125 -5.199 -6.680 5.903 1.00 0.29 C ATOM 1522 O THR A 125 -6.065 -7.293 5.274 1.00 0.34 O ATOM 1523 CB THR A 125 -4.021 -8.142 7.587 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.845 -8.398 8.988 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.677 -7.865 6.948 1.00 0.37 C ATOM 0 HA THR A 125 -4.513 -6.069 7.838 1.00 0.40 H new ATOM 0 HB THR A 125 -4.460 -9.017 7.109 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.625 -8.068 9.481 1.00 0.51 H new ATOM 0 HG21 THR A 125 -2.019 -8.720 7.100 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.810 -7.695 5.880 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.233 -6.980 7.404 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.424 -5.758 5.349 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.627 -5.315 3.981 1.00 0.15 C ATOM 1535 C ILE A 126 -3.624 -5.983 3.054 1.00 0.14 C ATOM 1536 O ILE A 126 -2.444 -6.062 3.368 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.487 -3.782 3.867 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.079 -3.111 5.119 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.191 -3.293 2.613 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.096 -1.594 5.085 1.00 0.16 C ATOM 0 H ILE A 126 -3.648 -5.303 5.829 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.638 -5.597 3.687 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.432 -3.518 3.797 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.100 -3.468 5.256 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.509 -3.434 5.990 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.089 -2.210 2.537 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.742 -3.762 1.737 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.248 -3.555 2.663 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.531 -1.214 6.010 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.077 -1.221 4.983 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.693 -1.256 4.238 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.086 -6.473 1.916 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.202 -7.151 0.979 1.00 0.12 C ATOM 1554 C LEU A 127 -3.266 -6.472 -0.382 1.00 0.11 C ATOM 1555 O LEU A 127 -4.325 -6.031 -0.810 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.570 -8.632 0.884 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.768 -9.311 2.238 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.331 -10.713 2.070 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.447 -9.351 2.979 1.00 0.20 C ATOM 0 H LEU A 127 -5.060 -6.416 1.619 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.175 -7.085 1.339 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.486 -8.732 0.302 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.786 -9.156 0.337 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.489 -8.735 2.818 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.462 -11.172 3.050 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.294 -10.660 1.563 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.641 -11.313 1.477 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.586 -9.835 3.946 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.718 -9.912 2.394 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.084 -8.334 3.131 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.123 -6.381 -1.037 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.978 -5.609 -2.274 1.00 0.11 C ATOM 1573 C ILE A 128 -1.804 -6.521 -3.496 1.00 0.13 C ATOM 1574 O ILE A 128 -0.822 -7.267 -3.596 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.763 -4.660 -2.173 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.952 -3.646 -1.046 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.513 -3.951 -3.487 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.203 -2.680 -0.908 1.00 0.12 C ATOM 0 H ILE A 128 -1.264 -6.838 -0.732 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.893 -5.030 -2.403 1.00 0.11 H new ATOM 0 HB ILE A 128 0.112 -5.268 -1.943 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.868 -3.083 -1.224 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.084 -4.180 -0.105 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.348 -3.290 -3.386 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.315 -4.687 -4.266 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.391 -3.364 -3.757 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.003 -1.988 -0.090 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.118 -3.234 -0.699 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.322 -2.120 -1.836 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.733 -6.432 -4.442 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.747 -7.317 -5.588 1.00 0.19 C ATOM 1592 C GLU A 129 -2.983 -6.537 -6.890 1.00 0.17 C ATOM 1593 O GLU A 129 -3.778 -5.599 -6.928 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.846 -8.363 -5.378 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.483 -8.831 -6.664 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.538 -9.896 -6.452 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.173 -11.064 -6.210 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.744 -9.572 -6.533 1.00 0.71 O ATOM 0 H GLU A 129 -3.490 -5.748 -4.431 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.778 -7.808 -5.679 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.424 -9.222 -4.857 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.617 -7.944 -4.731 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -4.934 -7.978 -7.171 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.709 -9.221 -7.325 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.278 -6.934 -7.942 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.493 -6.408 -9.290 1.00 0.21 C ATOM 1607 C LYS A 130 -1.823 -7.340 -10.289 1.00 0.29 C ATOM 1608 O LYS A 130 -0.875 -8.034 -9.930 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.048 -4.929 -9.460 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.564 -4.614 -9.259 1.00 0.19 C ATOM 1611 CD LYS A 130 0.279 -4.977 -10.463 1.00 0.25 C ATOM 1612 CE LYS A 130 0.038 -4.000 -11.597 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.843 -4.322 -12.801 1.00 0.39 N ATOM 0 H LYS A 130 -1.537 -7.633 -7.887 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.566 -6.383 -9.481 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.328 -4.606 -10.462 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.620 -4.322 -8.758 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.448 -3.551 -9.047 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.197 -5.155 -8.387 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.334 -4.972 -10.190 1.00 0.25 H new ATOM 0 HD3 LYS A 130 0.039 -5.989 -10.790 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.020 -4.005 -11.859 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.279 -2.991 -11.261 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 1.030 -3.450 -13.337 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.745 -4.751 -12.511 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 0.319 -4.991 -13.400 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.361 -7.384 -11.509 1.00 0.38 N ATOM 1628 CA ASP A 131 -1.963 -8.354 -12.551 1.00 0.49 C ATOM 1629 C ASP A 131 -2.688 -9.672 -12.344 1.00 0.47 C ATOM 1630 O ASP A 131 -2.470 -10.636 -13.079 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.447 -8.618 -12.607 1.00 0.55 C ATOM 1632 CG ASP A 131 0.369 -7.395 -12.955 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -0.040 -6.644 -13.871 1.00 1.03 O ATOM 1634 OD2 ASP A 131 1.428 -7.177 -12.334 1.00 1.13 O ATOM 0 H ASP A 131 -3.094 -6.743 -11.813 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.244 -7.901 -13.502 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.118 -9.001 -11.641 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.250 -9.397 -13.343 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.559 -9.709 -11.348 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.305 -10.914 -11.062 1.00 0.51 C ATOM 1641 C GLY A 132 -3.687 -11.741 -9.952 1.00 0.45 C ATOM 1642 O GLY A 132 -4.079 -12.887 -9.737 1.00 0.52 O ATOM 0 H GLY A 132 -3.763 -8.923 -10.731 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.325 -10.647 -10.784 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.369 -11.519 -11.966 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.718 -11.172 -9.248 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.088 -11.857 -8.128 1.00 0.45 C ATOM 1648 C GLU A 133 -1.615 -10.852 -7.091 1.00 0.33 C ATOM 1649 O GLU A 133 -1.331 -9.694 -7.412 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.903 -12.719 -8.573 1.00 0.54 C ATOM 1651 CG GLU A 133 0.397 -11.948 -8.709 1.00 0.56 C ATOM 1652 CD GLU A 133 1.571 -12.831 -9.080 1.00 0.76 C ATOM 1653 OE1 GLU A 133 2.099 -13.522 -8.187 1.00 1.24 O ATOM 1654 OE2 GLU A 133 1.972 -12.842 -10.262 1.00 1.31 O ATOM 0 H GLU A 133 -2.351 -10.238 -9.433 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.841 -12.514 -7.692 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.763 -13.526 -7.854 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -1.142 -13.182 -9.530 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.277 -11.174 -9.467 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.613 -11.441 -7.768 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.566 -11.293 -5.853 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.078 -10.463 -4.762 1.00 0.24 C ATOM 1663 C VAL A 134 0.439 -10.535 -4.711 1.00 0.22 C ATOM 1664 O VAL A 134 1.031 -11.614 -4.772 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.676 -10.872 -3.397 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.437 -12.333 -3.134 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.120 -10.022 -2.266 1.00 0.21 C ATOM 0 H VAL A 134 -1.859 -12.228 -5.571 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.398 -9.439 -4.956 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.751 -10.698 -3.439 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.865 -12.604 -2.169 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.908 -12.926 -3.918 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.365 -12.530 -3.124 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.563 -10.338 -1.322 1.00 0.21 H new ATOM 0 HG22 VAL A 134 -0.038 -10.143 -2.218 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.360 -8.974 -2.447 1.00 0.21 H new ATOM 1677 N LYS A 135 1.067 -9.382 -4.635 1.00 0.19 N ATOM 1678 CA LYS A 135 2.515 -9.315 -4.619 1.00 0.21 C ATOM 1679 C LYS A 135 3.003 -8.373 -3.534 1.00 0.17 C ATOM 1680 O LYS A 135 4.206 -8.235 -3.319 1.00 0.18 O ATOM 1681 CB LYS A 135 3.048 -8.865 -5.976 1.00 0.29 C ATOM 1682 CG LYS A 135 2.335 -7.651 -6.540 1.00 0.34 C ATOM 1683 CD LYS A 135 1.255 -8.051 -7.526 1.00 0.29 C ATOM 1684 CE LYS A 135 1.864 -8.590 -8.813 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.606 -7.544 -9.575 1.00 1.03 N ATOM 0 H LYS A 135 0.599 -8.477 -4.583 1.00 0.19 H new ATOM 0 HA LYS A 135 2.892 -10.315 -4.406 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.110 -8.640 -5.883 1.00 0.29 H new ATOM 0 HB3 LYS A 135 2.958 -9.689 -6.683 1.00 0.29 H new ATOM 0 HG2 LYS A 135 1.892 -7.077 -5.726 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.057 -7.000 -7.033 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.612 -8.809 -7.079 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.625 -7.190 -7.750 1.00 0.29 H new ATOM 0 HE2 LYS A 135 2.541 -9.411 -8.575 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.074 -9.001 -9.441 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 2.826 -7.899 -10.528 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 2.020 -6.688 -9.651 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 3.491 -7.315 -9.079 1.00 1.03 H new ATOM 1699 N LEU A 136 2.070 -7.743 -2.842 1.00 0.14 N ATOM 1700 CA LEU A 136 2.404 -6.822 -1.779 1.00 0.14 C ATOM 1701 C LEU A 136 1.339 -6.911 -0.690 1.00 0.14 C ATOM 1702 O LEU A 136 0.266 -7.458 -0.923 1.00 0.14 O ATOM 1703 CB LEU A 136 2.475 -5.409 -2.348 1.00 0.14 C ATOM 1704 CG LEU A 136 3.545 -4.494 -1.765 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.946 -5.049 -2.001 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.407 -3.118 -2.384 1.00 0.14 C ATOM 0 H LEU A 136 1.069 -7.856 -3.002 1.00 0.14 H new ATOM 0 HA LEU A 136 3.372 -7.075 -1.346 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.638 -5.482 -3.423 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.505 -4.934 -2.204 1.00 0.14 H new ATOM 0 HG LEU A 136 3.402 -4.430 -0.686 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.683 -4.370 -1.572 1.00 0.16 H new ATOM 0 HD12 LEU A 136 5.034 -6.027 -1.528 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.123 -5.147 -3.072 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.169 -2.456 -1.973 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.534 -3.191 -3.464 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.419 -2.716 -2.161 1.00 0.14 H new ATOM 1718 N LYS A 137 1.643 -6.424 0.502 1.00 0.17 N ATOM 1719 CA LYS A 137 0.670 -6.396 1.592 1.00 0.20 C ATOM 1720 C LYS A 137 0.900 -5.195 2.489 1.00 0.18 C ATOM 1721 O LYS A 137 1.960 -4.576 2.453 1.00 0.22 O ATOM 1722 CB LYS A 137 0.752 -7.642 2.484 1.00 0.31 C ATOM 1723 CG LYS A 137 1.145 -8.921 1.775 1.00 0.35 C ATOM 1724 CD LYS A 137 0.881 -10.131 2.645 1.00 0.28 C ATOM 1725 CE LYS A 137 1.708 -10.075 3.922 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.526 -11.280 4.768 1.00 0.76 N ATOM 0 H LYS A 137 2.557 -6.041 0.744 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.308 -6.352 1.113 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.472 -7.452 3.280 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.217 -7.793 2.959 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.586 -9.010 0.844 1.00 0.35 H new ATOM 0 HG3 LYS A 137 2.202 -8.883 1.510 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.179 -10.179 2.896 1.00 0.28 H new ATOM 0 HD3 LYS A 137 1.120 -11.040 2.092 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.762 -9.971 3.665 1.00 0.31 H new ATOM 0 HE3 LYS A 137 1.430 -9.189 4.493 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.109 -11.194 5.625 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 0.525 -11.367 5.038 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 1.816 -12.125 4.235 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.111 -4.868 3.272 1.00 0.18 N ATOM 1741 CA LEU A 138 0.049 -3.983 4.408 1.00 0.20 C ATOM 1742 C LEU A 138 -0.066 -4.833 5.664 1.00 0.21 C ATOM 1743 O LEU A 138 -1.115 -5.420 5.917 1.00 0.22 O ATOM 1744 CB LEU A 138 -0.991 -2.847 4.424 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.019 -1.899 3.204 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.379 -1.482 2.755 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.783 -2.527 2.052 1.00 0.17 C ATOM 0 H LEU A 138 -1.063 -5.208 3.138 1.00 0.18 H new ATOM 0 HA LEU A 138 1.022 -3.495 4.349 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -1.979 -3.295 4.527 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.820 -2.245 5.316 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.536 -0.993 3.520 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.302 -0.817 1.895 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.884 -0.964 3.570 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.951 -2.367 2.478 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.790 -1.842 1.204 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.300 -3.460 1.761 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.808 -2.730 2.363 1.00 0.17 H new ATOM 1759 N ILE A 139 1.035 -4.898 6.420 1.00 0.27 N ATOM 1760 CA ILE A 139 1.196 -5.771 7.583 1.00 0.30 C ATOM 1761 C ILE A 139 1.618 -7.177 7.140 1.00 0.37 C ATOM 1762 O ILE A 139 1.136 -7.699 6.133 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.055 -5.861 8.470 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.678 -4.488 8.719 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.333 -6.483 9.782 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.089 -4.571 9.229 1.00 0.41 C ATOM 0 H ILE A 139 1.860 -4.328 6.233 1.00 0.27 H new ATOM 0 HA ILE A 139 1.977 -5.315 8.192 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.800 -6.469 7.957 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.068 -3.943 9.439 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.665 -3.915 7.792 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.545 -6.554 10.424 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.736 -7.480 9.607 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.089 -5.866 10.268 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.478 -3.565 9.387 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.710 -5.090 8.499 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.104 -5.118 10.172 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.055 -7.047 2.903 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.521 -8.201 2.197 1.00 0.33 C ATOM 1849 C GLU B 554 -13.391 -8.799 3.031 1.00 0.35 C ATOM 1850 O GLU B 554 -13.196 -8.387 4.175 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.014 -7.757 0.821 1.00 0.32 C ATOM 1852 CG GLU B 554 -14.043 -8.829 -0.257 1.00 0.29 C ATOM 1853 CD GLU B 554 -15.336 -9.609 -0.275 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -16.341 -9.083 -0.791 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -15.351 -10.746 0.228 1.00 0.63 O ATOM 0 HA GLU B 554 -15.292 -8.958 2.051 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -14.614 -6.911 0.486 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -12.990 -7.399 0.927 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.892 -8.362 -1.231 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.212 -9.517 -0.101 1.00 0.29 H new ATOM 1862 N THR B 555 -12.668 -9.754 2.464 1.00 0.33 N ATOM 1863 CA THR B 555 -11.479 -10.317 3.090 1.00 0.35 C ATOM 1864 C THR B 555 -10.546 -9.181 3.532 1.00 0.34 C ATOM 1865 O THR B 555 -9.970 -9.203 4.616 1.00 0.45 O ATOM 1866 CB THR B 555 -10.787 -11.278 2.094 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.688 -11.944 2.704 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.322 -10.541 0.849 1.00 0.30 C ATOM 0 H THR B 555 -12.889 -10.161 1.555 1.00 0.33 H new ATOM 0 HA THR B 555 -11.749 -10.888 3.978 1.00 0.35 H new ATOM 0 HB THR B 555 -11.525 -12.024 1.798 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.269 -12.546 2.054 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.840 -11.243 0.169 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.180 -10.087 0.353 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.612 -9.763 1.130 1.00 0.30 H new ATOM 1876 N THR B 556 -10.458 -8.168 2.688 1.00 0.26 N ATOM 1877 CA THR B 556 -9.804 -6.924 3.025 1.00 0.23 C ATOM 1878 C THR B 556 -10.644 -5.782 2.490 1.00 0.21 C ATOM 1879 O THR B 556 -11.035 -4.874 3.221 1.00 0.22 O ATOM 1880 CB THR B 556 -8.408 -6.815 2.395 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.555 -7.868 2.850 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.790 -5.472 2.718 1.00 0.20 C ATOM 0 H THR B 556 -10.842 -8.190 1.743 1.00 0.26 H new ATOM 0 HA THR B 556 -9.698 -6.885 4.109 1.00 0.23 H new ATOM 0 HB THR B 556 -8.518 -6.907 1.314 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.094 -7.586 3.668 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.801 -5.408 2.265 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.422 -4.676 2.323 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.702 -5.363 3.799 1.00 0.20 H new ATOM 1890 N LEU B 557 -10.928 -5.884 1.195 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.684 -4.889 0.462 1.00 0.19 C ATOM 1892 C LEU B 557 -10.865 -3.627 0.286 1.00 0.17 C ATOM 1893 O LEU B 557 -9.644 -3.686 0.317 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.006 -4.573 1.148 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.215 -4.589 0.226 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.039 -3.353 0.478 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.787 -4.708 -1.236 1.00 0.20 C ATOM 0 H LEU B 557 -10.632 -6.674 0.622 1.00 0.20 H new ATOM 0 HA LEU B 557 -11.911 -5.303 -0.521 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.166 -5.294 1.949 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -12.933 -3.590 1.614 1.00 0.21 H new ATOM 0 HG LEU B 557 -14.829 -5.464 0.439 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -15.909 -3.355 -0.179 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.369 -3.341 1.517 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.436 -2.467 0.279 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.671 -4.717 -1.874 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.157 -3.859 -1.501 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.228 -5.633 -1.377 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.566 -2.502 0.134 1.00 0.18 N ATOM 1910 CA LEU B 558 -10.966 -1.187 -0.125 1.00 0.18 C ATOM 1911 C LEU B 558 -10.877 -0.942 -1.616 1.00 0.19 C ATOM 1912 O LEU B 558 -9.819 -0.657 -2.172 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.600 -1.003 0.563 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.642 -0.765 2.079 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.593 -1.720 2.761 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.259 -0.909 2.680 1.00 0.16 C ATOM 0 H LEU B 558 -12.584 -2.476 0.188 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.622 -0.437 0.317 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -8.995 -1.889 0.370 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.090 -0.161 0.096 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.000 0.252 2.240 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.599 -1.524 3.833 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.597 -1.581 2.361 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.270 -2.745 2.581 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.310 -0.737 3.755 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -7.883 -1.915 2.491 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.588 -0.180 2.227 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.035 -1.060 -2.243 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.198 -0.777 -3.660 1.00 0.21 C ATOM 1930 C GLU B 559 -12.909 0.546 -3.821 1.00 0.24 C ATOM 1931 O GLU B 559 -12.969 1.125 -4.902 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.011 -1.877 -4.323 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.271 -3.186 -4.442 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.153 -4.293 -4.968 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.233 -4.531 -4.388 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.780 -4.922 -5.977 1.00 0.38 O ATOM 0 H GLU B 559 -12.894 -1.357 -1.781 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.217 -0.730 -4.134 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -13.925 -2.037 -3.751 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.311 -1.547 -5.318 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.415 -3.059 -5.105 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -11.878 -3.470 -3.466 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.449 0.998 -2.714 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.156 2.259 -2.635 1.00 0.31 C ATOM 1945 C ASP B 560 -13.538 3.050 -1.511 1.00 0.25 C ATOM 1946 O ASP B 560 -13.083 2.448 -0.546 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.641 2.050 -2.318 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.260 0.867 -3.041 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.113 -0.277 -2.561 1.00 0.95 O ATOM 1950 OD2 ASP B 560 -16.881 1.077 -4.109 1.00 0.90 O ATOM 0 H ASP B 560 -13.410 0.494 -1.828 1.00 0.25 H new ATOM 0 HA ASP B 560 -14.081 2.774 -3.593 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.757 1.909 -1.243 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.190 2.954 -2.582 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.518 4.366 -1.603 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.980 5.171 -0.515 1.00 0.26 C ATOM 1957 C GLU B 561 -13.820 4.941 0.732 1.00 0.26 C ATOM 1958 O GLU B 561 -13.297 4.706 1.821 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.976 6.651 -0.879 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.322 7.523 0.177 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.336 8.990 -0.197 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -12.128 9.303 -1.385 1.00 0.69 O ATOM 1963 OE2 GLU B 561 -12.558 9.842 0.683 1.00 0.68 O ATOM 0 H GLU B 561 -13.861 4.896 -2.404 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.949 4.871 -0.329 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.453 6.784 -1.826 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -14.003 6.984 -1.032 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.839 7.388 1.127 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.292 7.198 0.326 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.126 4.979 0.529 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.106 4.678 1.558 1.00 0.39 C ATOM 1972 C LYS B 562 -15.747 3.418 2.330 1.00 0.34 C ATOM 1973 O LYS B 562 -15.700 3.420 3.552 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.440 4.458 0.859 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.515 3.828 1.725 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.537 3.118 0.856 1.00 1.73 C ATOM 1977 CE LYS B 562 -20.456 2.223 1.666 1.00 2.39 C ATOM 1978 NZ LYS B 562 -21.312 1.386 0.787 1.00 3.03 N ATOM 0 H LYS B 562 -15.541 5.224 -0.370 1.00 0.30 H new ATOM 0 HA LYS B 562 -16.143 5.503 2.269 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.805 5.417 0.492 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.277 3.824 -0.013 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -18.064 3.121 2.421 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -19.006 4.595 2.324 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -20.132 3.858 0.321 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -19.020 2.520 0.105 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -19.861 1.581 2.315 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -21.085 2.835 2.313 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -21.928 0.786 1.372 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -21.897 2.000 0.185 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -20.711 0.785 0.188 1.00 3.03 H new ATOM 1992 N SER B 563 -15.433 2.365 1.599 1.00 0.27 N ATOM 1993 CA SER B 563 -15.169 1.065 2.196 1.00 0.24 C ATOM 1994 C SER B 563 -13.720 0.960 2.639 1.00 0.21 C ATOM 1995 O SER B 563 -13.363 0.118 3.459 1.00 0.20 O ATOM 1996 CB SER B 563 -15.498 -0.030 1.187 1.00 0.27 C ATOM 1997 OG SER B 563 -16.732 0.236 0.540 1.00 0.91 O ATOM 0 H SER B 563 -15.354 2.383 0.582 1.00 0.27 H new ATOM 0 HA SER B 563 -15.798 0.945 3.078 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.701 -0.100 0.446 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.548 -0.994 1.693 1.00 0.27 H new ATOM 0 HG SER B 563 -16.635 0.088 -0.424 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.902 1.841 2.102 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.480 1.824 2.339 1.00 0.19 C ATOM 2005 C LEU B 564 -11.228 2.431 3.695 1.00 0.21 C ATOM 2006 O LEU B 564 -10.571 1.846 4.550 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.770 2.639 1.263 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.285 2.326 1.048 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.730 3.173 -0.062 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.460 2.562 2.287 1.00 0.18 C ATOM 0 H LEU B 564 -13.211 2.593 1.485 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.100 0.803 2.307 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.292 2.488 0.318 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.865 3.695 1.515 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.225 1.268 0.792 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.675 2.941 -0.204 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.274 2.967 -0.984 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.838 4.227 0.195 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.416 2.325 2.080 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.543 3.607 2.585 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.824 1.925 3.093 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.807 3.602 3.898 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.640 4.308 5.144 1.00 0.26 C ATOM 2024 C VAL B 565 -12.470 3.666 6.228 1.00 0.28 C ATOM 2025 O VAL B 565 -12.042 3.628 7.362 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.987 5.797 5.003 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.469 6.277 3.678 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.478 6.059 5.125 1.00 0.30 C ATOM 0 H VAL B 565 -12.395 4.078 3.214 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.589 4.244 5.424 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.515 6.345 5.819 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.705 7.334 3.556 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.388 6.139 3.638 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.937 5.706 2.876 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.670 7.127 5.018 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -14.008 5.515 4.343 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.828 5.724 6.101 1.00 0.30 H new ATOM 2038 N SER B 566 -13.629 3.115 5.863 1.00 0.28 N ATOM 2039 CA SER B 566 -14.458 2.379 6.813 1.00 0.30 C ATOM 2040 C SER B 566 -13.689 1.188 7.357 1.00 0.30 C ATOM 2041 O SER B 566 -13.976 0.669 8.435 1.00 0.35 O ATOM 2042 CB SER B 566 -15.739 1.905 6.138 1.00 0.31 C ATOM 2043 OG SER B 566 -16.620 2.988 5.905 1.00 0.75 O ATOM 0 H SER B 566 -14.012 3.165 4.919 1.00 0.28 H new ATOM 0 HA SER B 566 -14.720 3.042 7.638 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.498 1.418 5.193 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.230 1.160 6.764 1.00 0.31 H new ATOM 0 HG SER B 566 -16.426 3.386 5.031 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.692 0.789 6.600 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.841 -0.311 6.972 1.00 0.25 C ATOM 2051 C TYR B 567 -10.610 0.205 7.693 1.00 0.26 C ATOM 2052 O TYR B 567 -10.036 -0.494 8.506 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.442 -1.072 5.726 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.558 -2.264 5.979 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.108 -3.497 6.299 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.177 -2.158 5.875 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.307 -4.597 6.516 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.368 -3.257 6.092 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.939 -4.474 6.412 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.138 -5.569 6.628 1.00 0.29 O ATOM 0 H TYR B 567 -12.451 1.221 5.708 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.378 -0.979 7.645 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.345 -1.407 5.215 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.927 -0.391 5.049 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.180 -3.596 6.379 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.731 -1.207 5.622 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.749 -5.550 6.766 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.295 -3.165 6.012 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.632 -5.445 7.458 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.204 1.422 7.363 1.00 0.26 N ATOM 2071 CA LEU B 568 -9.035 2.051 7.966 1.00 0.29 C ATOM 2072 C LEU B 568 -9.343 2.711 9.309 1.00 0.35 C ATOM 2073 O LEU B 568 -8.550 2.626 10.245 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.504 3.092 7.007 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.304 2.678 6.177 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.436 1.245 5.684 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.194 3.623 5.012 1.00 0.26 C ATOM 0 H LEU B 568 -10.675 2.003 6.669 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.297 1.271 8.157 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.309 3.378 6.330 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.237 3.981 7.578 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.406 2.724 6.793 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.559 0.981 5.093 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.514 0.572 6.538 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.330 1.153 5.067 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.337 3.346 4.398 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.102 3.568 4.412 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -7.063 4.641 5.380 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.486 3.377 9.403 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.839 4.116 10.620 1.00 0.46 C ATOM 2091 C ASN B 569 -11.425 3.184 11.685 1.00 0.50 C ATOM 2092 O ASN B 569 -12.034 3.630 12.656 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.820 5.266 10.320 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.264 4.815 10.124 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -14.197 5.497 10.543 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.469 3.700 9.438 1.00 0.44 N ATOM 0 H ASN B 569 -11.184 3.424 8.660 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.918 4.549 11.009 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.783 5.985 11.139 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.488 5.788 9.422 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.421 3.387 9.245 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.675 3.154 9.103 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.243 1.888 11.480 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.700 0.879 12.427 1.00 0.59 C ATOM 2105 C TYR B 570 -10.994 1.045 13.774 1.00 0.90 C ATOM 2106 O TYR B 570 -9.747 1.133 13.790 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.467 -0.534 11.864 1.00 0.39 C ATOM 2108 CG TYR B 570 -10.015 -0.973 11.817 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -9.102 -0.314 11.003 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.556 -2.038 12.582 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.779 -0.700 10.956 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.236 -2.429 12.541 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.361 -1.796 11.737 1.00 0.79 C ATOM 2114 OH TYR B 570 -6.029 -2.145 11.681 1.00 1.04 O ATOM 2115 OXT TYR B 570 -11.687 1.069 14.813 1.00 1.66 O ATOM 0 H TYR B 570 -10.777 1.506 10.657 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.770 1.015 12.583 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -12.027 -1.247 12.469 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.878 -0.579 10.855 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.434 0.515 10.396 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.247 -2.569 13.220 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -7.075 -0.171 10.331 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.900 -3.249 13.158 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.868 -2.915 12.265 1.00 1.04 H new