USER MOD reduce.3.24.130724 H: found=0, std=0, add=1045, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1045 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 108 LYS NZ :NH3+ 171:sc= -0.103 (180deg=-0.374) USER MOD Set 1.2: A 112 ASN : amide:sc= -0.0899 K(o=-0.19,f=-1.4!) USER MOD Set 2.1: A 99 THR OG1 : rot 123:sc= 0.289 USER MOD Set 2.2: A 101 THR OG1 : rot 180:sc= 0.271 USER MOD Set 3.1: A 86 CYS SG : rot 180:sc= -5.91! USER MOD Set 3.2: A 87 THR OG1 : rot 44:sc= -0.769 USER MOD Set 4.1: A 48 SER OG : rot -48:sc= 1.02 USER MOD Set 4.2: A 49 CYS SG : rot 71:sc= -4.92! USER MOD Set 5.1: A 42 ASN : amide:sc= -5.6! K(o=-18!,f=-8) USER MOD Set 5.2: A 82 ASN : amide:sc= -12.3! K(o=-18!,f=-4.2) USER MOD Set 6.1: A 16 SER OG : rot -80:sc= 0.334 USER MOD Set 6.2: A 19 ASN : amide:sc= -0.0517 K(o=0.28,f=-1.5!) USER MOD Single : A 6 SER OG : rot -32:sc= 0.0209 USER MOD Single : A 7 GLN : amide:sc= -3.02! C(o=-3!,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= -0.141 (180deg=-0.829) USER MOD Single : A 12 LYS NZ :NH3+ -112:sc= 0.192 (180deg=-0.427) USER MOD Single : A 22 ASN : amide:sc= -2.1 K(o=-2.1,f=-3.6!) USER MOD Single : A 23 HIS : no HD1:sc= -6.48! C(o=-6.5!,f=-17!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= -1.13 (180deg=-3.18!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 10:sc= -0.342 USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -6.17! (180deg=-7.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.66 USER MOD Single : A 64 LYS NZ :NH3+ -142:sc= -1.74 (180deg=-5.52!) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= -0.0377 (180deg=-0.416) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.2 (180deg=-1.06) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.461 USER MOD Single : A 70 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.8!) USER MOD Single : A 74 SER OG : rot -114:sc= 0.183 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 0.702 (180deg=-1.1) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : A 92 SER OG : rot -68:sc= 0.807 USER MOD Single : A 94 ASN : amide:sc= -0.766 K(o=-0.77,f=-0.16) USER MOD Single : A 95 MET CE :methyl -166:sc= -2.47 (180deg=-3.54) USER MOD Single : A 102 CYS SG : rot -104:sc= -2.73 USER MOD Single : A 107 GLN : amide:sc= -2.71! C(o=-2.7!,f=-5.4!) USER MOD Single : A 109 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.175) USER MOD Single : A 114 MET CE :methyl -134:sc= -1.6 (180deg=-5.54!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -55:sc= 0.207 USER MOD Single : A 119 TYR OH : rot -145:sc= -3.64! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 20:sc= 0.444 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -143:sc= -1.25! USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 6 -11.760 1.085 -11.921 1.00 15.43 N ATOM 18 CA SER A 6 -13.204 1.449 -11.907 1.00 14.66 C ATOM 19 C SER A 6 -13.566 2.078 -10.561 1.00 13.40 C ATOM 20 O SER A 6 -12.794 2.052 -9.623 1.00 12.58 O ATOM 21 CB SER A 6 -14.044 0.189 -12.121 1.00 15.49 C ATOM 22 OG SER A 6 -13.923 -0.653 -10.982 1.00 15.97 O ATOM 0 HA SER A 6 -13.404 2.165 -12.704 1.00 14.66 H new ATOM 0 HB2 SER A 6 -15.088 0.457 -12.281 1.00 15.49 H new ATOM 0 HB3 SER A 6 -13.710 -0.338 -13.015 1.00 15.49 H new ATOM 0 HG SER A 6 -13.030 -0.550 -10.592 1.00 15.97 H new ATOM 28 N GLN A 7 -14.742 2.631 -10.459 1.00 13.37 N ATOM 29 CA GLN A 7 -15.173 3.257 -9.176 1.00 12.23 C ATOM 30 C GLN A 7 -15.409 2.156 -8.139 1.00 11.36 C ATOM 31 O GLN A 7 -15.454 2.396 -6.950 1.00 10.97 O ATOM 32 CB GLN A 7 -16.463 4.046 -9.403 1.00 13.19 C ATOM 33 CG GLN A 7 -16.151 5.294 -10.235 1.00 13.36 C ATOM 34 CD GLN A 7 -15.757 4.875 -11.652 1.00 13.61 C ATOM 35 OE1 GLN A 7 -16.587 4.432 -12.421 1.00 13.82 O ATOM 36 NE2 GLN A 7 -14.513 4.994 -12.030 1.00 13.77 N ATOM 0 H GLN A 7 -15.428 2.677 -11.213 1.00 13.37 H new ATOM 0 HA GLN A 7 -14.401 3.936 -8.815 1.00 12.23 H new ATOM 0 HB2 GLN A 7 -17.197 3.426 -9.917 1.00 13.19 H new ATOM 0 HB3 GLN A 7 -16.901 4.332 -8.447 1.00 13.19 H new ATOM 0 HG2 GLN A 7 -17.021 5.950 -10.267 1.00 13.36 H new ATOM 0 HG3 GLN A 7 -15.342 5.860 -9.773 1.00 13.36 H new ATOM 0 HE21 GLN A 7 -13.817 5.366 -11.384 1.00 13.77 H new ATOM 0 HE22 GLN A 7 -14.237 4.715 -12.972 1.00 13.77 H new ATOM 45 N GLU A 8 -15.566 0.947 -8.585 1.00 13.01 N ATOM 46 CA GLU A 8 -15.788 -0.173 -7.632 1.00 12.24 C ATOM 47 C GLU A 8 -14.499 -0.431 -6.848 1.00 11.73 C ATOM 48 O GLU A 8 -14.518 -0.737 -5.672 1.00 11.71 O ATOM 49 CB GLU A 8 -16.151 -1.438 -8.412 1.00 13.27 C ATOM 50 CG GLU A 8 -17.481 -1.233 -9.136 1.00 13.55 C ATOM 51 CD GLU A 8 -17.832 -2.504 -9.912 1.00 14.55 C ATOM 52 OE1 GLU A 8 -17.059 -3.445 -9.849 1.00 15.06 O ATOM 53 OE2 GLU A 8 -18.868 -2.513 -10.556 1.00 14.92 O ATOM 0 H GLU A 8 -15.551 0.683 -9.570 1.00 13.01 H new ATOM 0 HA GLU A 8 -16.596 0.087 -6.948 1.00 12.24 H new ATOM 0 HB2 GLU A 8 -15.366 -1.671 -9.132 1.00 13.27 H new ATOM 0 HB3 GLU A 8 -16.223 -2.288 -7.733 1.00 13.27 H new ATOM 0 HG2 GLU A 8 -18.268 -1.002 -8.418 1.00 13.55 H new ATOM 0 HG3 GLU A 8 -17.411 -0.384 -9.817 1.00 13.55 H new ATOM 60 N GLU A 9 -13.380 -0.353 -7.517 1.00 11.46 N ATOM 61 CA GLU A 9 -12.071 -0.636 -6.856 1.00 11.12 C ATOM 62 C GLU A 9 -11.635 0.503 -5.920 1.00 10.28 C ATOM 63 O GLU A 9 -11.122 0.259 -4.847 1.00 10.32 O ATOM 64 CB GLU A 9 -11.014 -0.816 -7.945 1.00 12.40 C ATOM 65 CG GLU A 9 -11.317 -2.088 -8.741 1.00 13.24 C ATOM 66 CD GLU A 9 -10.369 -2.181 -9.937 1.00 14.08 C ATOM 67 OE1 GLU A 9 -9.545 -1.296 -10.085 1.00 14.26 O ATOM 68 OE2 GLU A 9 -10.482 -3.141 -10.683 1.00 14.68 O ATOM 0 H GLU A 9 -13.316 -0.103 -8.504 1.00 11.46 H new ATOM 0 HA GLU A 9 -12.180 -1.536 -6.251 1.00 11.12 H new ATOM 0 HB2 GLU A 9 -11.008 0.049 -8.608 1.00 12.40 H new ATOM 0 HB3 GLU A 9 -10.022 -0.881 -7.498 1.00 12.40 H new ATOM 0 HG2 GLU A 9 -11.202 -2.965 -8.103 1.00 13.24 H new ATOM 0 HG3 GLU A 9 -12.352 -2.077 -9.084 1.00 13.24 H new ATOM 75 N VAL A 10 -11.807 1.739 -6.308 1.00 9.75 N ATOM 76 CA VAL A 10 -11.364 2.856 -5.415 1.00 9.10 C ATOM 77 C VAL A 10 -12.138 2.807 -4.094 1.00 7.91 C ATOM 78 O VAL A 10 -11.587 3.039 -3.038 1.00 7.70 O ATOM 79 CB VAL A 10 -11.592 4.205 -6.100 1.00 10.81 C ATOM 80 CG1 VAL A 10 -10.770 4.267 -7.393 1.00 11.69 C ATOM 81 CG2 VAL A 10 -13.078 4.369 -6.423 1.00 11.17 C ATOM 0 H VAL A 10 -12.229 2.024 -7.192 1.00 9.75 H new ATOM 0 HA VAL A 10 -10.300 2.740 -5.211 1.00 9.10 H new ATOM 0 HB VAL A 10 -11.278 5.010 -5.435 1.00 10.81 H new ATOM 0 HG11 VAL A 10 -10.932 5.228 -7.881 1.00 11.69 H new ATOM 0 HG12 VAL A 10 -9.712 4.154 -7.157 1.00 11.69 H new ATOM 0 HG13 VAL A 10 -11.081 3.464 -8.061 1.00 11.69 H new ATOM 0 HG21 VAL A 10 -13.240 5.330 -6.911 1.00 11.17 H new ATOM 0 HG22 VAL A 10 -13.397 3.566 -7.088 1.00 11.17 H new ATOM 0 HG23 VAL A 10 -13.658 4.328 -5.501 1.00 11.17 H new ATOM 91 N LYS A 11 -13.408 2.503 -4.133 1.00 7.38 N ATOM 92 CA LYS A 11 -14.185 2.439 -2.861 1.00 6.32 C ATOM 93 C LYS A 11 -13.568 1.384 -1.950 1.00 5.68 C ATOM 94 O LYS A 11 -13.457 1.571 -0.756 1.00 5.93 O ATOM 95 CB LYS A 11 -15.644 2.090 -3.145 1.00 8.26 C ATOM 96 CG LYS A 11 -16.325 3.273 -3.827 1.00 8.64 C ATOM 97 CD LYS A 11 -17.785 2.923 -4.111 1.00 9.23 C ATOM 98 CE LYS A 11 -18.487 4.127 -4.736 1.00 9.91 C ATOM 99 NZ LYS A 11 -17.750 4.557 -5.957 1.00 10.51 N ATOM 0 H LYS A 11 -13.937 2.298 -4.981 1.00 7.38 H new ATOM 0 HA LYS A 11 -14.152 3.413 -2.372 1.00 6.32 H new ATOM 0 HB2 LYS A 11 -15.701 1.207 -3.782 1.00 8.26 H new ATOM 0 HB3 LYS A 11 -16.159 1.846 -2.216 1.00 8.26 H new ATOM 0 HG2 LYS A 11 -16.268 4.156 -3.190 1.00 8.64 H new ATOM 0 HG3 LYS A 11 -15.810 3.517 -4.756 1.00 8.64 H new ATOM 0 HD2 LYS A 11 -17.840 2.067 -4.784 1.00 9.23 H new ATOM 0 HD3 LYS A 11 -18.287 2.635 -3.187 1.00 9.23 H new ATOM 0 HE2 LYS A 11 -19.515 3.869 -4.991 1.00 9.91 H new ATOM 0 HE3 LYS A 11 -18.533 4.947 -4.019 1.00 9.91 H new ATOM 0 HZ1 LYS A 11 -18.427 4.901 -6.668 1.00 10.51 H new ATOM 0 HZ2 LYS A 11 -17.088 5.320 -5.712 1.00 10.51 H new ATOM 0 HZ3 LYS A 11 -17.220 3.750 -6.345 1.00 10.51 H new ATOM 113 N LYS A 12 -13.149 0.283 -2.505 1.00 5.08 N ATOM 114 CA LYS A 12 -12.520 -0.768 -1.663 1.00 4.72 C ATOM 115 C LYS A 12 -11.290 -0.173 -0.992 1.00 4.34 C ATOM 116 O LYS A 12 -11.013 -0.426 0.163 1.00 4.65 O ATOM 117 CB LYS A 12 -12.103 -1.953 -2.535 1.00 6.91 C ATOM 118 CG LYS A 12 -13.347 -2.690 -3.031 1.00 7.86 C ATOM 119 CD LYS A 12 -12.915 -3.871 -3.902 1.00 8.86 C ATOM 120 CE LYS A 12 -14.150 -4.620 -4.403 1.00 9.89 C ATOM 121 NZ LYS A 12 -14.947 -3.734 -5.296 1.00 10.82 N ATOM 0 H LYS A 12 -13.214 0.067 -3.500 1.00 5.08 H new ATOM 0 HA LYS A 12 -13.229 -1.117 -0.912 1.00 4.72 H new ATOM 0 HB2 LYS A 12 -11.513 -1.604 -3.383 1.00 6.91 H new ATOM 0 HB3 LYS A 12 -11.470 -2.632 -1.964 1.00 6.91 H new ATOM 0 HG2 LYS A 12 -13.937 -3.043 -2.185 1.00 7.86 H new ATOM 0 HG3 LYS A 12 -13.982 -2.013 -3.603 1.00 7.86 H new ATOM 0 HD2 LYS A 12 -12.325 -3.516 -4.747 1.00 8.86 H new ATOM 0 HD3 LYS A 12 -12.277 -4.544 -3.329 1.00 8.86 H new ATOM 0 HE2 LYS A 12 -13.849 -5.519 -4.941 1.00 9.89 H new ATOM 0 HE3 LYS A 12 -14.758 -4.943 -3.558 1.00 9.89 H new ATOM 0 HZ1 LYS A 12 -15.849 -3.498 -4.836 1.00 10.82 H new ATOM 0 HZ2 LYS A 12 -14.415 -2.860 -5.483 1.00 10.82 H new ATOM 0 HZ3 LYS A 12 -15.134 -4.224 -6.194 1.00 10.82 H new ATOM 135 N TRP A 13 -10.554 0.628 -1.705 1.00 4.15 N ATOM 136 CA TRP A 13 -9.351 1.250 -1.100 1.00 3.58 C ATOM 137 C TRP A 13 -9.793 2.084 0.099 1.00 2.38 C ATOM 138 O TRP A 13 -9.074 2.241 1.055 1.00 2.83 O ATOM 139 CB TRP A 13 -8.669 2.157 -2.120 1.00 4.70 C ATOM 140 CG TRP A 13 -8.302 1.381 -3.350 1.00 4.98 C ATOM 141 CD1 TRP A 13 -8.439 0.041 -3.519 1.00 5.43 C ATOM 142 CD2 TRP A 13 -7.735 1.891 -4.587 1.00 5.21 C ATOM 143 NE1 TRP A 13 -7.990 -0.297 -4.784 1.00 5.86 N ATOM 144 CE2 TRP A 13 -7.545 0.810 -5.479 1.00 5.70 C ATOM 145 CE3 TRP A 13 -7.370 3.178 -5.016 1.00 5.35 C ATOM 146 CZ2 TRP A 13 -7.012 1.001 -6.752 1.00 6.20 C ATOM 147 CZ3 TRP A 13 -6.831 3.374 -6.296 1.00 5.91 C ATOM 148 CH2 TRP A 13 -6.652 2.288 -7.162 1.00 6.26 C ATOM 0 H TRP A 13 -10.733 0.878 -2.678 1.00 4.15 H new ATOM 0 HA TRP A 13 -8.650 0.476 -0.788 1.00 3.58 H new ATOM 0 HB2 TRP A 13 -9.333 2.979 -2.386 1.00 4.70 H new ATOM 0 HB3 TRP A 13 -7.775 2.599 -1.681 1.00 4.70 H new ATOM 0 HD1 TRP A 13 -8.833 -0.648 -2.787 1.00 5.43 H new ATOM 0 HE1 TRP A 13 -7.988 -1.246 -5.157 1.00 5.86 H new ATOM 0 HE3 TRP A 13 -7.505 4.022 -4.356 1.00 5.35 H new ATOM 0 HZ2 TRP A 13 -6.878 0.161 -7.417 1.00 6.20 H new ATOM 0 HZ3 TRP A 13 -6.553 4.367 -6.615 1.00 5.91 H new ATOM 0 HH2 TRP A 13 -6.236 2.445 -8.146 1.00 6.26 H new ATOM 159 N ALA A 14 -10.978 2.618 0.064 1.00 0.01 N ATOM 160 CA ALA A 14 -11.454 3.429 1.218 1.00 0.01 C ATOM 161 C ALA A 14 -11.965 2.485 2.309 1.00 0.01 C ATOM 162 O ALA A 14 -12.274 2.902 3.409 1.00 0.01 O ATOM 163 CB ALA A 14 -12.583 4.356 0.763 1.00 0.00 C ATOM 0 H ALA A 14 -11.637 2.530 -0.710 1.00 0.01 H new ATOM 0 HA ALA A 14 -10.636 4.034 1.609 1.00 0.01 H new ATOM 0 HB1 ALA A 14 -12.930 4.949 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.215 5.020 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.409 3.760 0.374 1.00 0.00 H new ATOM 169 N GLU A 15 -12.063 1.211 2.011 1.00 0.01 N ATOM 170 CA GLU A 15 -12.560 0.232 3.028 1.00 0.01 C ATOM 171 C GLU A 15 -11.390 -0.378 3.811 1.00 0.01 C ATOM 172 O GLU A 15 -11.526 -0.700 4.976 1.00 0.01 O ATOM 173 CB GLU A 15 -13.325 -0.896 2.332 1.00 0.01 C ATOM 174 CG GLU A 15 -14.646 -0.363 1.778 1.00 0.01 C ATOM 175 CD GLU A 15 -15.449 -1.522 1.182 1.00 0.01 C ATOM 176 OE1 GLU A 15 -14.970 -2.642 1.249 1.00 0.01 O ATOM 177 OE2 GLU A 15 -16.529 -1.271 0.674 1.00 0.01 O ATOM 0 H GLU A 15 -11.820 0.807 1.106 1.00 0.01 H new ATOM 0 HA GLU A 15 -13.217 0.763 3.717 1.00 0.01 H new ATOM 0 HB2 GLU A 15 -12.723 -1.311 1.524 1.00 0.01 H new ATOM 0 HB3 GLU A 15 -13.516 -1.706 3.036 1.00 0.01 H new ATOM 0 HG2 GLU A 15 -15.217 0.121 2.570 1.00 0.01 H new ATOM 0 HG3 GLU A 15 -14.456 0.392 1.016 1.00 0.01 H new ATOM 184 N SER A 16 -10.249 -0.558 3.195 1.00 0.01 N ATOM 185 CA SER A 16 -9.105 -1.166 3.942 1.00 0.01 C ATOM 186 C SER A 16 -7.810 -1.078 3.131 1.00 0.00 C ATOM 187 O SER A 16 -7.811 -1.159 1.919 1.00 0.00 O ATOM 188 CB SER A 16 -9.408 -2.640 4.219 1.00 0.01 C ATOM 189 OG SER A 16 -9.379 -3.359 2.993 1.00 0.01 O ATOM 0 H SER A 16 -10.061 -0.315 2.222 1.00 0.01 H new ATOM 0 HA SER A 16 -8.976 -0.617 4.875 1.00 0.01 H new ATOM 0 HB2 SER A 16 -8.675 -3.051 4.913 1.00 0.01 H new ATOM 0 HB3 SER A 16 -10.385 -2.741 4.691 1.00 0.01 H new ATOM 0 HG SER A 16 -10.228 -3.232 2.519 1.00 0.01 H new ATOM 195 N LEU A 17 -6.704 -0.942 3.815 1.00 0.00 N ATOM 196 CA LEU A 17 -5.377 -0.861 3.140 1.00 0.00 C ATOM 197 C LEU A 17 -5.135 -2.138 2.338 1.00 0.01 C ATOM 198 O LEU A 17 -4.597 -2.106 1.249 1.00 0.00 O ATOM 199 CB LEU A 17 -4.289 -0.717 4.211 1.00 0.01 C ATOM 200 CG LEU A 17 -2.900 -0.631 3.563 1.00 0.00 C ATOM 201 CD1 LEU A 17 -2.812 0.597 2.643 1.00 0.01 C ATOM 202 CD2 LEU A 17 -1.851 -0.519 4.669 1.00 0.00 C ATOM 0 H LEU A 17 -6.665 -0.883 4.833 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.353 -0.004 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.474 0.177 4.807 1.00 0.01 H new ATOM 0 HB3 LEU A 17 -4.327 -1.567 4.892 1.00 0.01 H new ATOM 0 HG LEU A 17 -2.724 -1.524 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.821 0.643 2.192 1.00 0.01 H new ATOM 0 HD12 LEU A 17 -3.565 0.519 1.859 1.00 0.01 H new ATOM 0 HD13 LEU A 17 -2.988 1.501 3.225 1.00 0.01 H new ATOM 0 HD21 LEU A 17 -0.858 -0.457 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.040 0.377 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.906 -1.397 5.313 1.00 0.00 H new ATOM 214 N GLU A 18 -5.510 -3.259 2.880 1.00 0.01 N ATOM 215 CA GLU A 18 -5.287 -4.554 2.183 1.00 0.00 C ATOM 216 C GLU A 18 -5.777 -4.473 0.735 1.00 0.00 C ATOM 217 O GLU A 18 -5.118 -4.930 -0.177 1.00 0.01 O ATOM 218 CB GLU A 18 -6.079 -5.639 2.911 1.00 0.01 C ATOM 219 CG GLU A 18 -5.452 -5.898 4.281 1.00 0.01 C ATOM 220 CD GLU A 18 -6.372 -6.810 5.095 1.00 0.00 C ATOM 221 OE1 GLU A 18 -7.406 -7.194 4.572 1.00 0.01 O ATOM 222 OE2 GLU A 18 -6.026 -7.110 6.226 1.00 0.01 O ATOM 0 H GLU A 18 -5.968 -3.335 3.788 1.00 0.01 H new ATOM 0 HA GLU A 18 -4.222 -4.784 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.118 -5.329 3.028 1.00 0.01 H new ATOM 0 HB3 GLU A 18 -6.084 -6.557 2.323 1.00 0.01 H new ATOM 0 HG2 GLU A 18 -4.473 -6.362 4.163 1.00 0.01 H new ATOM 0 HG3 GLU A 18 -5.297 -4.956 4.807 1.00 0.01 H new ATOM 229 N ASN A 19 -6.929 -3.913 0.514 1.00 0.01 N ATOM 230 CA ASN A 19 -7.457 -3.822 -0.879 1.00 0.00 C ATOM 231 C ASN A 19 -6.560 -2.926 -1.744 1.00 0.00 C ATOM 232 O ASN A 19 -6.260 -3.244 -2.880 1.00 0.01 O ATOM 233 CB ASN A 19 -8.870 -3.242 -0.840 1.00 0.01 C ATOM 234 CG ASN A 19 -9.830 -4.275 -0.247 1.00 0.01 C ATOM 235 OD1 ASN A 19 -10.337 -4.096 0.843 1.00 0.01 O ATOM 236 ND2 ASN A 19 -10.102 -5.357 -0.924 1.00 0.01 N ATOM 0 H ASN A 19 -7.531 -3.513 1.234 1.00 0.01 H new ATOM 0 HA ASN A 19 -7.472 -4.820 -1.316 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.884 -2.331 -0.241 1.00 0.01 H new ATOM 0 HB3 ASN A 19 -9.190 -2.968 -1.845 1.00 0.01 H new ATOM 0 HD21 ASN A 19 -10.740 -6.053 -0.538 1.00 0.01 H new ATOM 0 HD22 ASN A 19 -9.676 -5.507 -1.839 1.00 0.01 H new ATOM 243 N LEU A 20 -6.132 -1.806 -1.224 1.00 0.00 N ATOM 244 CA LEU A 20 -5.270 -0.894 -2.032 1.00 0.01 C ATOM 245 C LEU A 20 -3.985 -1.622 -2.439 1.00 0.01 C ATOM 246 O LEU A 20 -3.595 -1.614 -3.588 1.00 0.00 O ATOM 247 CB LEU A 20 -4.920 0.351 -1.198 1.00 0.00 C ATOM 248 CG LEU A 20 -4.026 1.320 -2.000 1.00 0.01 C ATOM 249 CD1 LEU A 20 -4.810 1.910 -3.182 1.00 0.01 C ATOM 250 CD2 LEU A 20 -3.578 2.460 -1.081 1.00 0.01 C ATOM 0 H LEU A 20 -6.341 -1.484 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.807 -0.589 -2.930 1.00 0.01 H new ATOM 0 HB2 LEU A 20 -5.835 0.860 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.407 0.049 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.161 0.777 -2.380 1.00 0.01 H new ATOM 0 HD11 LEU A 20 -4.168 2.592 -3.740 1.00 0.01 H new ATOM 0 HD12 LEU A 20 -5.141 1.104 -3.838 1.00 0.01 H new ATOM 0 HD13 LEU A 20 -5.678 2.453 -2.808 1.00 0.01 H new ATOM 0 HD21 LEU A 20 -2.945 3.150 -1.639 1.00 0.01 H new ATOM 0 HD22 LEU A 20 -4.453 2.991 -0.707 1.00 0.01 H new ATOM 0 HD23 LEU A 20 -3.016 2.051 -0.241 1.00 0.01 H new ATOM 262 N ILE A 21 -3.314 -2.240 -1.507 1.00 0.01 N ATOM 263 CA ILE A 21 -2.046 -2.945 -1.852 1.00 0.00 C ATOM 264 C ILE A 21 -2.345 -4.244 -2.606 1.00 0.00 C ATOM 265 O ILE A 21 -1.491 -4.790 -3.276 1.00 0.00 O ATOM 266 CB ILE A 21 -1.264 -3.258 -0.571 1.00 0.00 C ATOM 267 CG1 ILE A 21 -2.099 -4.168 0.335 1.00 0.00 C ATOM 268 CG2 ILE A 21 -0.952 -1.953 0.168 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.309 -4.505 1.600 1.00 0.01 C ATOM 0 H ILE A 21 -3.587 -2.288 -0.525 1.00 0.01 H new ATOM 0 HA ILE A 21 -1.448 -2.298 -2.494 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.334 -3.763 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.034 -3.674 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.361 -5.083 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.396 -2.175 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.354 -1.306 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.884 -1.449 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.907 -5.152 2.241 1.00 0.01 H new ATOM 0 HD12 ILE A 21 -0.386 -5.017 1.327 1.00 0.01 H new ATOM 0 HD13 ILE A 21 -1.069 -3.586 2.135 1.00 0.01 H new ATOM 281 N ASN A 22 -3.544 -4.755 -2.496 1.00 0.00 N ATOM 282 CA ASN A 22 -3.878 -6.030 -3.200 1.00 0.01 C ATOM 283 C ASN A 22 -4.364 -5.739 -4.620 1.00 0.01 C ATOM 284 O ASN A 22 -4.567 -6.643 -5.407 1.00 0.01 O ATOM 285 CB ASN A 22 -4.973 -6.771 -2.432 1.00 0.01 C ATOM 286 CG ASN A 22 -4.390 -7.349 -1.141 1.00 0.01 C ATOM 287 OD1 ASN A 22 -3.203 -7.591 -1.054 1.00 0.01 O ATOM 288 ND2 ASN A 22 -5.181 -7.585 -0.131 1.00 0.01 N ATOM 0 H ASN A 22 -4.304 -4.347 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.982 -6.648 -3.249 1.00 0.01 H new ATOM 0 HB2 ASN A 22 -5.793 -6.091 -2.201 1.00 0.01 H new ATOM 0 HB3 ASN A 22 -5.386 -7.571 -3.047 1.00 0.01 H new ATOM 0 HD21 ASN A 22 -4.803 -7.973 0.733 1.00 0.01 H new ATOM 0 HD22 ASN A 22 -6.178 -7.381 -0.205 1.00 0.01 H new ATOM 295 N HIS A 23 -4.549 -4.491 -4.967 1.00 0.01 N ATOM 296 CA HIS A 23 -5.016 -4.167 -6.349 1.00 0.01 C ATOM 297 C HIS A 23 -3.804 -3.909 -7.247 1.00 0.01 C ATOM 298 O HIS A 23 -2.837 -3.291 -6.847 1.00 0.01 O ATOM 299 CB HIS A 23 -5.904 -2.923 -6.327 1.00 0.00 C ATOM 300 CG HIS A 23 -6.573 -2.777 -7.667 1.00 0.01 C ATOM 301 ND1 HIS A 23 -6.185 -1.820 -8.592 1.00 0.01 N ATOM 302 CD2 HIS A 23 -7.600 -3.473 -8.257 1.00 0.01 C ATOM 303 CE1 HIS A 23 -6.968 -1.967 -9.678 1.00 0.01 C ATOM 304 NE2 HIS A 23 -7.846 -2.960 -9.525 1.00 0.01 N ATOM 0 H HIS A 23 -4.398 -3.687 -4.358 1.00 0.01 H new ATOM 0 HA HIS A 23 -5.591 -5.008 -6.736 1.00 0.01 H new ATOM 0 HB2 HIS A 23 -6.653 -3.008 -5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.307 -2.038 -6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.135 -4.294 -7.804 1.00 0.01 H new ATOM 0 HE1 HIS A 23 -6.894 -1.355 -10.565 1.00 0.01 H new ATOM 0 HE2 HIS A 23 -8.547 -3.275 -10.195 1.00 0.01 H new ATOM 312 N GLU A 24 -3.847 -4.399 -8.456 1.00 0.01 N ATOM 313 CA GLU A 24 -2.702 -4.209 -9.393 1.00 0.01 C ATOM 314 C GLU A 24 -2.450 -2.716 -9.628 1.00 0.01 C ATOM 315 O GLU A 24 -1.319 -2.270 -9.692 1.00 0.01 O ATOM 316 CB GLU A 24 -3.028 -4.889 -10.724 1.00 0.01 C ATOM 317 CG GLU A 24 -1.838 -4.761 -11.678 1.00 0.01 C ATOM 318 CD GLU A 24 -2.157 -5.478 -12.990 1.00 0.01 C ATOM 319 OE1 GLU A 24 -3.176 -6.146 -13.046 1.00 0.01 O ATOM 320 OE2 GLU A 24 -1.376 -5.346 -13.917 1.00 0.00 O ATOM 0 H GLU A 24 -4.632 -4.927 -8.838 1.00 0.01 H new ATOM 0 HA GLU A 24 -1.805 -4.651 -8.959 1.00 0.01 H new ATOM 0 HB2 GLU A 24 -3.261 -5.941 -10.558 1.00 0.01 H new ATOM 0 HB3 GLU A 24 -3.913 -4.433 -11.169 1.00 0.01 H new ATOM 0 HG2 GLU A 24 -1.623 -3.710 -11.869 1.00 0.01 H new ATOM 0 HG3 GLU A 24 -0.946 -5.192 -11.223 1.00 0.01 H new ATOM 327 N CYS A 25 -3.488 -1.936 -9.756 1.00 0.01 N ATOM 328 CA CYS A 25 -3.288 -0.479 -9.990 1.00 0.01 C ATOM 329 C CYS A 25 -3.060 0.204 -8.648 1.00 0.01 C ATOM 330 O CYS A 25 -2.397 1.219 -8.560 1.00 0.00 O ATOM 331 CB CYS A 25 -4.529 0.110 -10.665 1.00 0.01 C ATOM 332 SG CYS A 25 -4.114 1.714 -11.395 1.00 0.00 S ATOM 0 H CYS A 25 -4.460 -2.242 -9.709 1.00 0.01 H new ATOM 0 HA CYS A 25 -2.426 -0.322 -10.638 1.00 0.01 H new ATOM 0 HB2 CYS A 25 -4.894 -0.569 -11.436 1.00 0.01 H new ATOM 0 HB3 CYS A 25 -5.332 0.226 -9.937 1.00 0.01 H new ATOM 0 HG CYS A 25 -5.167 2.214 -11.970 1.00 0.00 H new ATOM 338 N GLY A 26 -3.577 -0.359 -7.594 1.00 0.01 N ATOM 339 CA GLY A 26 -3.355 0.251 -6.260 1.00 0.01 C ATOM 340 C GLY A 26 -1.854 0.233 -5.983 1.00 0.01 C ATOM 341 O GLY A 26 -1.266 1.230 -5.632 1.00 0.01 O ATOM 0 H GLY A 26 -4.140 -1.210 -7.600 1.00 0.01 H new ATOM 0 HA2 GLY A 26 -3.735 1.272 -6.239 1.00 0.01 H new ATOM 0 HA3 GLY A 26 -3.892 -0.305 -5.491 1.00 0.01 H new ATOM 345 N LEU A 27 -1.226 -0.901 -6.163 1.00 0.01 N ATOM 346 CA LEU A 27 0.245 -0.976 -5.937 1.00 0.00 C ATOM 347 C LEU A 27 0.946 0.000 -6.881 1.00 0.00 C ATOM 348 O LEU A 27 1.811 0.751 -6.480 1.00 0.00 O ATOM 349 CB LEU A 27 0.741 -2.401 -6.206 1.00 0.00 C ATOM 350 CG LEU A 27 0.238 -3.358 -5.112 1.00 0.00 C ATOM 351 CD1 LEU A 27 0.420 -4.801 -5.587 1.00 0.00 C ATOM 352 CD2 LEU A 27 1.038 -3.162 -3.810 1.00 0.01 C ATOM 0 H LEU A 27 -1.667 -1.773 -6.455 1.00 0.01 H new ATOM 0 HA LEU A 27 0.469 -0.713 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.390 -2.737 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.830 -2.414 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.814 -3.147 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.065 -5.485 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.151 -4.958 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.476 -4.990 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.667 -3.848 -3.048 1.00 0.01 H new ATOM 0 HD22 LEU A 27 2.093 -3.363 -3.997 1.00 0.01 H new ATOM 0 HD23 LEU A 27 0.921 -2.136 -3.462 1.00 0.01 H new ATOM 364 N ALA A 28 0.579 0.006 -8.135 1.00 0.00 N ATOM 365 CA ALA A 28 1.238 0.945 -9.086 1.00 0.00 C ATOM 366 C ALA A 28 1.008 2.380 -8.616 1.00 0.01 C ATOM 367 O ALA A 28 1.929 3.165 -8.512 1.00 0.00 O ATOM 368 CB ALA A 28 0.643 0.766 -10.484 1.00 0.00 C ATOM 0 H ALA A 28 -0.142 -0.593 -8.538 1.00 0.00 H new ATOM 0 HA ALA A 28 2.307 0.736 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.127 1.454 -11.176 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.803 -0.259 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.426 0.975 -10.454 1.00 0.00 H new ATOM 374 N ALA A 29 -0.213 2.728 -8.326 1.00 0.00 N ATOM 375 CA ALA A 29 -0.499 4.109 -7.855 1.00 0.01 C ATOM 376 C ALA A 29 0.080 4.290 -6.454 1.00 0.00 C ATOM 377 O ALA A 29 0.735 5.271 -6.159 1.00 0.00 O ATOM 378 CB ALA A 29 -2.011 4.331 -7.810 1.00 0.01 C ATOM 0 H ALA A 29 -1.025 2.115 -8.395 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.047 4.829 -8.537 1.00 0.01 H new ATOM 0 HB1 ALA A 29 -2.220 5.344 -7.465 1.00 0.01 H new ATOM 0 HB2 ALA A 29 -2.429 4.194 -8.808 1.00 0.01 H new ATOM 0 HB3 ALA A 29 -2.464 3.614 -7.126 1.00 0.01 H new ATOM 384 N PHE A 30 -0.160 3.346 -5.587 1.00 0.00 N ATOM 385 CA PHE A 30 0.367 3.447 -4.201 1.00 0.00 C ATOM 386 C PHE A 30 1.888 3.525 -4.229 1.00 0.00 C ATOM 387 O PHE A 30 2.488 4.347 -3.568 1.00 0.00 O ATOM 388 CB PHE A 30 -0.068 2.232 -3.390 1.00 0.00 C ATOM 389 CG PHE A 30 0.457 2.378 -1.986 1.00 0.00 C ATOM 390 CD1 PHE A 30 -0.038 3.401 -1.170 1.00 0.00 C ATOM 391 CD2 PHE A 30 1.436 1.506 -1.502 1.00 0.00 C ATOM 392 CE1 PHE A 30 0.449 3.553 0.130 1.00 0.00 C ATOM 393 CE2 PHE A 30 1.921 1.657 -0.200 1.00 0.00 C ATOM 394 CZ PHE A 30 1.428 2.682 0.616 1.00 0.00 C ATOM 0 H PHE A 30 -0.702 2.504 -5.782 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.031 4.349 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.155 2.153 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.315 1.318 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.796 4.073 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.817 0.717 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.069 4.344 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.676 0.983 0.177 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.804 2.800 1.621 1.00 0.00 H new ATOM 404 N LYS A 31 2.521 2.688 -4.998 1.00 0.00 N ATOM 405 CA LYS A 31 4.005 2.732 -5.066 1.00 0.00 C ATOM 406 C LYS A 31 4.419 4.115 -5.559 1.00 0.00 C ATOM 407 O LYS A 31 5.376 4.695 -5.085 1.00 0.00 O ATOM 408 CB LYS A 31 4.508 1.655 -6.032 1.00 0.00 C ATOM 409 CG LYS A 31 4.352 0.272 -5.387 1.00 0.00 C ATOM 410 CD LYS A 31 4.412 -0.812 -6.467 1.00 0.00 C ATOM 411 CE LYS A 31 5.765 -0.756 -7.177 1.00 0.01 C ATOM 412 NZ LYS A 31 5.947 -1.990 -7.992 1.00 0.00 N ATOM 0 H LYS A 31 2.077 1.978 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 31 4.437 2.544 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.946 1.698 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.554 1.835 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.142 0.111 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.404 0.214 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.266 -1.795 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.606 -0.667 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.817 0.126 -7.816 1.00 0.01 H new ATOM 0 HE3 LYS A 31 6.569 -0.668 -6.446 1.00 0.01 H new ATOM 0 HZ1 LYS A 31 6.867 -1.954 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.915 -2.824 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.187 -2.055 -8.698 1.00 0.00 H new ATOM 426 N ALA A 32 3.694 4.657 -6.497 1.00 0.00 N ATOM 427 CA ALA A 32 4.034 6.013 -7.008 1.00 0.00 C ATOM 428 C ALA A 32 3.806 7.038 -5.894 1.00 0.01 C ATOM 429 O ALA A 32 4.622 7.910 -5.666 1.00 0.00 O ATOM 430 CB ALA A 32 3.138 6.344 -8.202 1.00 0.00 C ATOM 0 H ALA A 32 2.881 4.220 -6.931 1.00 0.00 H new ATOM 0 HA ALA A 32 5.077 6.040 -7.322 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.385 7.337 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.295 5.608 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.094 6.324 -7.890 1.00 0.00 H new ATOM 436 N PHE A 33 2.709 6.936 -5.189 1.00 0.00 N ATOM 437 CA PHE A 33 2.446 7.903 -4.086 1.00 0.00 C ATOM 438 C PHE A 33 3.562 7.810 -3.048 1.00 0.00 C ATOM 439 O PHE A 33 4.020 8.806 -2.526 1.00 0.00 O ATOM 440 CB PHE A 33 1.096 7.598 -3.430 1.00 0.00 C ATOM 441 CG PHE A 33 0.923 8.473 -2.210 1.00 0.00 C ATOM 442 CD1 PHE A 33 0.362 9.749 -2.334 1.00 0.00 C ATOM 443 CD2 PHE A 33 1.331 8.008 -0.954 1.00 0.00 C ATOM 444 CE1 PHE A 33 0.214 10.562 -1.204 1.00 0.01 C ATOM 445 CE2 PHE A 33 1.179 8.818 0.176 1.00 0.00 C ATOM 446 CZ PHE A 33 0.622 10.095 0.052 1.00 0.00 C ATOM 0 H PHE A 33 1.988 6.228 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 33 2.417 8.913 -4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.286 7.777 -4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.046 6.546 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.043 10.107 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.763 7.023 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.214 11.549 -1.301 1.00 0.01 H new ATOM 0 HE2 PHE A 33 1.492 8.457 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.507 10.721 0.925 1.00 0.00 H new ATOM 456 N LEU A 34 4.012 6.626 -2.747 1.00 0.00 N ATOM 457 CA LEU A 34 5.104 6.492 -1.746 1.00 0.00 C ATOM 458 C LEU A 34 6.318 7.256 -2.260 1.00 0.00 C ATOM 459 O LEU A 34 7.014 7.924 -1.525 1.00 0.00 O ATOM 460 CB LEU A 34 5.491 5.020 -1.601 1.00 0.00 C ATOM 461 CG LEU A 34 4.372 4.220 -0.912 1.00 0.00 C ATOM 462 CD1 LEU A 34 4.712 2.708 -0.958 1.00 0.00 C ATOM 463 CD2 LEU A 34 4.205 4.691 0.550 1.00 0.00 C ATOM 0 H LEU A 34 3.674 5.751 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 34 4.772 6.882 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.694 4.595 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.411 4.938 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 34 3.432 4.389 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.919 2.142 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.801 2.387 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.655 2.531 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.410 4.118 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.139 4.537 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.948 5.750 0.564 1.00 0.00 H new ATOM 475 N LYS A 35 6.563 7.157 -3.534 1.00 0.00 N ATOM 476 CA LYS A 35 7.718 7.863 -4.144 1.00 0.00 C ATOM 477 C LYS A 35 7.563 9.368 -3.924 1.00 0.01 C ATOM 478 O LYS A 35 8.524 10.075 -3.693 1.00 0.00 O ATOM 479 CB LYS A 35 7.751 7.548 -5.636 1.00 0.00 C ATOM 480 CG LYS A 35 9.117 7.925 -6.212 1.00 0.00 C ATOM 481 CD LYS A 35 9.190 7.501 -7.687 1.00 0.00 C ATOM 482 CE LYS A 35 9.085 5.969 -7.812 1.00 0.00 C ATOM 483 NZ LYS A 35 7.655 5.585 -7.983 1.00 0.01 N ATOM 0 H LYS A 35 6.003 6.609 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 35 8.650 7.534 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.557 6.488 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.964 8.098 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.276 9.000 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.909 7.438 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.384 7.974 -8.248 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.127 7.844 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.671 5.621 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.498 5.491 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.363 4.974 -7.194 1.00 0.01 H new ATOM 0 HZ2 LYS A 35 7.065 6.441 -7.995 1.00 0.01 H new ATOM 0 HZ3 LYS A 35 7.538 5.071 -8.880 1.00 0.01 H new ATOM 497 N SER A 36 6.358 9.863 -3.995 1.00 0.00 N ATOM 498 CA SER A 36 6.136 11.320 -3.792 1.00 0.00 C ATOM 499 C SER A 36 6.617 11.704 -2.393 1.00 0.00 C ATOM 500 O SER A 36 7.162 12.770 -2.184 1.00 0.00 O ATOM 501 CB SER A 36 4.645 11.636 -3.927 1.00 0.00 C ATOM 502 OG SER A 36 4.205 11.275 -5.229 1.00 0.00 O ATOM 0 H SER A 36 5.516 9.319 -4.185 1.00 0.00 H new ATOM 0 HA SER A 36 6.690 11.886 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.076 11.090 -3.174 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.469 12.697 -3.752 1.00 0.00 H new ATOM 0 HG SER A 36 3.250 11.474 -5.318 1.00 0.00 H new ATOM 508 N GLU A 37 6.431 10.834 -1.436 1.00 0.00 N ATOM 509 CA GLU A 37 6.884 11.129 -0.042 1.00 0.00 C ATOM 510 C GLU A 37 8.212 10.410 0.199 1.00 0.00 C ATOM 511 O GLU A 37 8.690 10.316 1.311 1.00 0.00 O ATOM 512 CB GLU A 37 5.841 10.615 0.955 1.00 0.00 C ATOM 513 CG GLU A 37 4.557 11.439 0.828 1.00 0.00 C ATOM 514 CD GLU A 37 3.518 10.923 1.826 1.00 0.01 C ATOM 515 OE1 GLU A 37 3.778 9.907 2.449 1.00 0.00 O ATOM 516 OE2 GLU A 37 2.482 11.555 1.952 1.00 0.00 O ATOM 0 H GLU A 37 5.982 9.926 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 37 7.008 12.204 0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.630 9.563 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.230 10.684 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.768 12.492 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.167 11.370 -0.187 1.00 0.00 H new ATOM 523 N TYR A 38 8.806 9.901 -0.851 1.00 0.00 N ATOM 524 CA TYR A 38 10.106 9.183 -0.723 1.00 0.00 C ATOM 525 C TYR A 38 9.950 8.022 0.252 1.00 0.00 C ATOM 526 O TYR A 38 10.892 7.604 0.896 1.00 0.00 O ATOM 527 CB TYR A 38 11.179 10.143 -0.213 1.00 0.00 C ATOM 528 CG TYR A 38 11.209 11.375 -1.085 1.00 0.00 C ATOM 529 CD1 TYR A 38 11.817 11.326 -2.346 1.00 0.00 C ATOM 530 CD2 TYR A 38 10.630 12.566 -0.633 1.00 0.00 C ATOM 531 CE1 TYR A 38 11.843 12.470 -3.153 1.00 0.00 C ATOM 532 CE2 TYR A 38 10.657 13.710 -1.441 1.00 0.00 C ATOM 533 CZ TYR A 38 11.264 13.661 -2.701 1.00 0.01 C ATOM 534 OH TYR A 38 11.291 14.788 -3.496 1.00 0.00 O ATOM 0 H TYR A 38 8.439 9.954 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 38 10.405 8.800 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.972 10.421 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.153 9.654 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.265 10.407 -2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.162 12.603 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.311 12.433 -4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.210 14.629 -1.092 1.00 0.00 H new ATOM 0 HH TYR A 38 10.844 15.527 -3.032 1.00 0.00 H new ATOM 544 N SER A 39 8.764 7.494 0.360 1.00 0.00 N ATOM 545 CA SER A 39 8.518 6.352 1.288 1.00 0.00 C ATOM 546 C SER A 39 8.502 5.051 0.484 1.00 0.00 C ATOM 547 O SER A 39 7.932 4.064 0.896 1.00 0.00 O ATOM 548 CB SER A 39 7.170 6.552 1.979 1.00 0.00 C ATOM 549 OG SER A 39 7.307 7.540 2.992 1.00 0.00 O ATOM 0 H SER A 39 7.944 7.807 -0.160 1.00 0.00 H new ATOM 0 HA SER A 39 9.305 6.303 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.418 6.860 1.253 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.828 5.613 2.414 1.00 0.00 H new ATOM 0 HG SER A 39 6.444 7.674 3.438 1.00 0.00 H new ATOM 555 N GLU A 40 9.116 5.045 -0.669 1.00 0.00 N ATOM 556 CA GLU A 40 9.123 3.807 -1.498 1.00 0.00 C ATOM 557 C GLU A 40 9.851 2.699 -0.742 1.00 0.00 C ATOM 558 O GLU A 40 9.593 1.533 -0.928 1.00 0.00 O ATOM 559 CB GLU A 40 9.831 4.086 -2.828 1.00 0.00 C ATOM 560 CG GLU A 40 11.280 4.513 -2.569 1.00 0.00 C ATOM 561 CD GLU A 40 11.957 4.837 -3.901 1.00 0.00 C ATOM 562 OE1 GLU A 40 11.436 4.426 -4.923 1.00 0.00 O ATOM 563 OE2 GLU A 40 12.986 5.494 -3.875 1.00 0.00 O ATOM 0 H GLU A 40 9.611 5.841 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 40 8.099 3.492 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.812 3.194 -3.454 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.304 4.869 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.303 5.385 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.820 3.716 -2.058 1.00 0.00 H new ATOM 570 N GLU A 41 10.750 3.049 0.124 1.00 0.00 N ATOM 571 CA GLU A 41 11.467 1.998 0.890 1.00 0.00 C ATOM 572 C GLU A 41 10.445 1.201 1.704 1.00 0.00 C ATOM 573 O GLU A 41 10.637 0.036 1.994 1.00 0.00 O ATOM 574 CB GLU A 41 12.479 2.661 1.824 1.00 0.00 C ATOM 575 CG GLU A 41 11.745 3.594 2.788 1.00 0.00 C ATOM 576 CD GLU A 41 12.765 4.401 3.591 1.00 0.00 C ATOM 577 OE1 GLU A 41 13.906 3.976 3.662 1.00 0.00 O ATOM 578 OE2 GLU A 41 12.388 5.433 4.122 1.00 0.00 O ATOM 0 H GLU A 41 11.020 4.010 0.336 1.00 0.00 H new ATOM 0 HA GLU A 41 11.995 1.327 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.027 1.902 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.212 3.222 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.090 4.265 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.112 3.015 3.461 1.00 0.00 H new ATOM 585 N ASN A 42 9.360 1.825 2.080 1.00 0.00 N ATOM 586 CA ASN A 42 8.324 1.112 2.883 1.00 0.00 C ATOM 587 C ASN A 42 7.781 -0.095 2.109 1.00 0.00 C ATOM 588 O ASN A 42 7.598 -1.158 2.668 1.00 0.00 O ATOM 589 CB ASN A 42 7.169 2.067 3.190 1.00 0.00 C ATOM 590 CG ASN A 42 7.633 3.133 4.186 1.00 0.00 C ATOM 591 OD1 ASN A 42 6.901 4.054 4.491 1.00 0.00 O ATOM 592 ND2 ASN A 42 8.828 3.051 4.705 1.00 0.00 N ATOM 0 H ASN A 42 9.146 2.799 1.865 1.00 0.00 H new ATOM 0 HA ASN A 42 8.781 0.765 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.821 2.540 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.326 1.513 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.147 3.760 5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.443 2.278 4.450 1.00 0.00 H new ATOM 599 N ILE A 43 7.506 0.046 0.834 1.00 0.00 N ATOM 600 CA ILE A 43 6.962 -1.124 0.081 1.00 0.00 C ATOM 601 C ILE A 43 8.069 -2.169 -0.073 1.00 0.00 C ATOM 602 O ILE A 43 7.835 -3.352 0.065 1.00 0.00 O ATOM 603 CB ILE A 43 6.413 -0.693 -1.299 1.00 0.00 C ATOM 604 CG1 ILE A 43 5.428 -1.761 -1.813 1.00 0.00 C ATOM 605 CG2 ILE A 43 7.549 -0.541 -2.324 1.00 0.00 C ATOM 606 CD1 ILE A 43 4.136 -1.765 -0.976 1.00 0.00 C ATOM 0 H ILE A 43 7.632 0.902 0.293 1.00 0.00 H new ATOM 0 HA ILE A 43 6.129 -1.555 0.637 1.00 0.00 H new ATOM 0 HB ILE A 43 5.912 0.268 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.188 -1.567 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.897 -2.744 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.134 -0.237 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.253 0.216 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.067 -1.493 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.457 -2.527 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.377 -1.983 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.658 -0.788 -1.040 1.00 0.00 H new ATOM 618 N ASP A 44 9.279 -1.747 -0.332 1.00 0.00 N ATOM 619 CA ASP A 44 10.382 -2.736 -0.458 1.00 0.00 C ATOM 620 C ASP A 44 10.486 -3.480 0.869 1.00 0.00 C ATOM 621 O ASP A 44 10.611 -4.688 0.919 1.00 0.00 O ATOM 622 CB ASP A 44 11.696 -2.014 -0.754 1.00 0.00 C ATOM 623 CG ASP A 44 11.652 -1.440 -2.171 1.00 0.00 C ATOM 624 OD1 ASP A 44 10.846 -1.914 -2.955 1.00 0.00 O ATOM 625 OD2 ASP A 44 12.425 -0.538 -2.448 1.00 0.00 O ATOM 0 H ASP A 44 9.546 -0.771 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 44 10.183 -3.432 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.855 -1.214 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.533 -2.705 -0.655 1.00 0.00 H new ATOM 630 N PHE A 45 10.399 -2.755 1.949 1.00 0.00 N ATOM 631 CA PHE A 45 10.449 -3.387 3.292 1.00 0.00 C ATOM 632 C PHE A 45 9.247 -4.321 3.428 1.00 0.00 C ATOM 633 O PHE A 45 9.353 -5.433 3.908 1.00 0.00 O ATOM 634 CB PHE A 45 10.385 -2.279 4.348 1.00 0.00 C ATOM 635 CG PHE A 45 10.369 -2.866 5.739 1.00 0.00 C ATOM 636 CD1 PHE A 45 11.571 -3.179 6.379 1.00 0.00 C ATOM 637 CD2 PHE A 45 9.150 -3.083 6.392 1.00 0.00 C ATOM 638 CE1 PHE A 45 11.558 -3.709 7.674 1.00 0.00 C ATOM 639 CE2 PHE A 45 9.136 -3.610 7.689 1.00 0.00 C ATOM 640 CZ PHE A 45 10.340 -3.924 8.330 1.00 0.00 C ATOM 0 H PHE A 45 10.294 -1.740 1.956 1.00 0.00 H new ATOM 0 HA PHE A 45 11.367 -3.960 3.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.243 -1.615 4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.492 -1.674 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.511 -3.012 5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.221 -2.844 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.487 -3.952 8.167 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.196 -3.774 8.195 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.329 -4.332 9.330 1.00 0.00 H new ATOM 650 N TRP A 46 8.101 -3.868 2.997 1.00 0.00 N ATOM 651 CA TRP A 46 6.873 -4.706 3.078 1.00 0.00 C ATOM 652 C TRP A 46 7.068 -5.994 2.275 1.00 0.00 C ATOM 653 O TRP A 46 6.716 -7.068 2.717 1.00 0.00 O ATOM 654 CB TRP A 46 5.695 -3.924 2.497 1.00 0.00 C ATOM 655 CG TRP A 46 4.442 -4.726 2.639 1.00 0.00 C ATOM 656 CD1 TRP A 46 3.854 -5.038 3.816 1.00 0.00 C ATOM 657 CD2 TRP A 46 3.611 -5.312 1.596 1.00 0.00 C ATOM 658 NE1 TRP A 46 2.716 -5.781 3.562 1.00 0.00 N ATOM 659 CE2 TRP A 46 2.523 -5.976 2.209 1.00 0.00 C ATOM 660 CE3 TRP A 46 3.695 -5.333 0.192 1.00 0.01 C ATOM 661 CZ2 TRP A 46 1.551 -6.637 1.456 1.00 0.00 C ATOM 662 CZ3 TRP A 46 2.719 -5.997 -0.569 1.00 0.00 C ATOM 663 CH2 TRP A 46 1.649 -6.647 0.063 1.00 0.00 C ATOM 0 H TRP A 46 7.963 -2.944 2.588 1.00 0.00 H new ATOM 0 HA TRP A 46 6.676 -4.959 4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 46 5.589 -2.970 3.013 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.878 -3.699 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 46 4.214 -4.754 4.794 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.095 -6.141 4.286 1.00 0.00 H new ATOM 0 HE3 TRP A 46 4.515 -4.835 -0.304 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 0.729 -7.137 1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.793 -6.007 -1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.901 -7.155 -0.527 1.00 0.00 H new ATOM 674 N ILE A 47 7.621 -5.897 1.094 1.00 0.00 N ATOM 675 CA ILE A 47 7.821 -7.120 0.267 1.00 0.00 C ATOM 676 C ILE A 47 8.720 -8.090 1.028 1.00 0.00 C ATOM 677 O ILE A 47 8.463 -9.278 1.079 1.00 0.00 O ATOM 678 CB ILE A 47 8.476 -6.741 -1.065 1.00 0.00 C ATOM 679 CG1 ILE A 47 7.481 -5.927 -1.897 1.00 0.00 C ATOM 680 CG2 ILE A 47 8.861 -8.010 -1.830 1.00 0.00 C ATOM 681 CD1 ILE A 47 8.189 -5.329 -3.115 1.00 0.00 C ATOM 0 H ILE A 47 7.941 -5.027 0.669 1.00 0.00 H new ATOM 0 HA ILE A 47 6.859 -7.592 0.066 1.00 0.00 H new ATOM 0 HB ILE A 47 9.372 -6.150 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.657 -6.563 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.050 -5.132 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.327 -7.737 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.563 -8.594 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.967 -8.604 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.476 -4.751 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.997 -4.678 -2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.599 -6.132 -3.728 1.00 0.00 H new ATOM 693 N SER A 48 9.754 -7.597 1.644 1.00 0.00 N ATOM 694 CA SER A 48 10.637 -8.499 2.421 1.00 0.00 C ATOM 695 C SER A 48 9.826 -9.039 3.595 1.00 0.00 C ATOM 696 O SER A 48 9.935 -10.190 3.968 1.00 0.00 O ATOM 697 CB SER A 48 11.845 -7.720 2.941 1.00 0.00 C ATOM 698 OG SER A 48 11.415 -6.789 3.926 1.00 0.00 O ATOM 0 H SER A 48 10.024 -6.613 1.642 1.00 0.00 H new ATOM 0 HA SER A 48 10.997 -9.316 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.578 -8.405 3.367 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.336 -7.198 2.120 1.00 0.00 H new ATOM 0 HG SER A 48 10.638 -6.294 3.591 1.00 0.00 H new ATOM 704 N CYS A 49 8.999 -8.208 4.169 1.00 0.00 N ATOM 705 CA CYS A 49 8.159 -8.657 5.310 1.00 0.00 C ATOM 706 C CYS A 49 7.155 -9.700 4.825 1.00 0.00 C ATOM 707 O CYS A 49 6.882 -10.667 5.499 1.00 0.01 O ATOM 708 CB CYS A 49 7.406 -7.462 5.894 1.00 0.00 C ATOM 709 SG CYS A 49 8.592 -6.191 6.387 1.00 0.01 S ATOM 0 H CYS A 49 8.870 -7.234 3.894 1.00 0.00 H new ATOM 0 HA CYS A 49 8.798 -9.094 6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.711 -7.060 5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.814 -7.776 6.753 1.00 0.00 H new ATOM 0 HG CYS A 49 9.104 -5.640 5.326 1.00 0.01 H new ATOM 715 N GLU A 50 6.601 -9.519 3.656 1.00 0.00 N ATOM 716 CA GLU A 50 5.613 -10.516 3.161 1.00 0.00 C ATOM 717 C GLU A 50 6.262 -11.897 3.162 1.00 0.01 C ATOM 718 O GLU A 50 5.724 -12.836 3.703 1.00 0.00 O ATOM 719 CB GLU A 50 5.177 -10.154 1.739 1.00 0.01 C ATOM 720 CG GLU A 50 4.207 -8.971 1.785 1.00 0.00 C ATOM 721 CD GLU A 50 3.781 -8.606 0.363 1.00 0.01 C ATOM 722 OE1 GLU A 50 4.516 -7.881 -0.286 1.00 0.00 O ATOM 723 OE2 GLU A 50 2.727 -9.060 -0.055 1.00 0.01 O ATOM 0 H GLU A 50 6.787 -8.735 3.031 1.00 0.00 H new ATOM 0 HA GLU A 50 4.737 -10.517 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.048 -9.900 1.134 1.00 0.01 H new ATOM 0 HB3 GLU A 50 4.699 -11.011 1.265 1.00 0.01 H new ATOM 0 HG2 GLU A 50 3.333 -9.227 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.682 -8.115 2.265 1.00 0.00 H new ATOM 730 N GLU A 51 7.428 -12.028 2.598 1.00 0.01 N ATOM 731 CA GLU A 51 8.095 -13.357 2.616 1.00 0.00 C ATOM 732 C GLU A 51 8.308 -13.763 4.073 1.00 0.01 C ATOM 733 O GLU A 51 8.136 -14.906 4.448 1.00 0.00 O ATOM 734 CB GLU A 51 9.441 -13.270 1.894 1.00 0.00 C ATOM 735 CG GLU A 51 9.199 -13.082 0.395 1.00 0.00 C ATOM 736 CD GLU A 51 10.538 -12.886 -0.318 1.00 0.00 C ATOM 737 OE1 GLU A 51 11.539 -12.760 0.367 1.00 0.01 O ATOM 738 OE2 GLU A 51 10.539 -12.864 -1.538 1.00 0.00 O ATOM 0 H GLU A 51 7.943 -11.282 2.130 1.00 0.01 H new ATOM 0 HA GLU A 51 7.478 -14.098 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.025 -12.438 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.020 -14.176 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.682 -13.951 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.555 -12.219 0.225 1.00 0.00 H new ATOM 745 N TYR A 52 8.678 -12.822 4.897 1.00 0.00 N ATOM 746 CA TYR A 52 8.902 -13.122 6.337 1.00 0.01 C ATOM 747 C TYR A 52 7.588 -13.595 6.970 1.00 0.01 C ATOM 748 O TYR A 52 7.569 -14.494 7.788 1.00 0.01 O ATOM 749 CB TYR A 52 9.365 -11.844 7.043 1.00 0.00 C ATOM 750 CG TYR A 52 9.874 -12.180 8.423 1.00 0.01 C ATOM 751 CD1 TYR A 52 8.973 -12.451 9.459 1.00 0.00 C ATOM 752 CD2 TYR A 52 11.253 -12.229 8.665 1.00 0.01 C ATOM 753 CE1 TYR A 52 9.449 -12.767 10.736 1.00 0.01 C ATOM 754 CE2 TYR A 52 11.727 -12.546 9.940 1.00 0.00 C ATOM 755 CZ TYR A 52 10.828 -12.814 10.975 1.00 0.01 C ATOM 756 OH TYR A 52 11.302 -13.127 12.234 1.00 0.01 O ATOM 0 H TYR A 52 8.836 -11.850 4.631 1.00 0.00 H new ATOM 0 HA TYR A 52 9.657 -13.901 6.438 1.00 0.01 H new ATOM 0 HB2 TYR A 52 10.151 -11.361 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.539 -11.136 7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.910 -12.416 9.273 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.949 -12.022 7.866 1.00 0.01 H new ATOM 0 HE1 TYR A 52 8.754 -12.974 11.536 1.00 0.01 H new ATOM 0 HE2 TYR A 52 12.790 -12.584 10.126 1.00 0.00 H new ATOM 0 HH TYR A 52 10.561 -13.438 12.795 1.00 0.01 H new ATOM 766 N LYS A 53 6.493 -12.981 6.607 1.00 0.01 N ATOM 767 CA LYS A 53 5.177 -13.372 7.193 1.00 0.01 C ATOM 768 C LYS A 53 4.696 -14.694 6.587 1.00 0.01 C ATOM 769 O LYS A 53 3.777 -15.312 7.086 1.00 0.01 O ATOM 770 CB LYS A 53 4.149 -12.271 6.899 1.00 0.01 C ATOM 771 CG LYS A 53 4.587 -10.946 7.543 1.00 0.00 C ATOM 772 CD LYS A 53 4.232 -10.924 9.036 1.00 0.00 C ATOM 773 CE LYS A 53 4.537 -9.531 9.638 1.00 0.01 C ATOM 774 NZ LYS A 53 5.575 -9.670 10.697 1.00 0.00 N ATOM 0 H LYS A 53 6.453 -12.222 5.927 1.00 0.01 H new ATOM 0 HA LYS A 53 5.289 -13.500 8.270 1.00 0.01 H new ATOM 0 HB2 LYS A 53 4.042 -12.142 5.822 1.00 0.01 H new ATOM 0 HB3 LYS A 53 3.172 -12.564 7.283 1.00 0.01 H new ATOM 0 HG2 LYS A 53 5.662 -10.813 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.101 -10.112 7.036 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.177 -11.163 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.801 -11.689 9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.885 -8.853 8.858 1.00 0.01 H new ATOM 0 HE3 LYS A 53 3.629 -9.096 10.057 1.00 0.01 H new ATOM 0 HZ1 LYS A 53 6.025 -8.748 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.131 -10.004 11.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.294 -10.355 10.390 1.00 0.00 H new ATOM 788 N LYS A 54 5.308 -15.140 5.520 1.00 0.00 N ATOM 789 CA LYS A 54 4.877 -16.431 4.896 1.00 0.01 C ATOM 790 C LYS A 54 5.739 -17.568 5.445 1.00 0.01 C ATOM 791 O LYS A 54 5.321 -18.708 5.495 1.00 0.01 O ATOM 792 CB LYS A 54 5.051 -16.339 3.377 1.00 0.01 C ATOM 793 CG LYS A 54 4.005 -15.380 2.800 1.00 0.01 C ATOM 794 CD LYS A 54 4.190 -15.261 1.284 1.00 0.00 C ATOM 795 CE LYS A 54 3.143 -14.301 0.703 1.00 0.01 C ATOM 796 NZ LYS A 54 3.638 -13.748 -0.589 1.00 0.01 N ATOM 0 H LYS A 54 6.084 -14.670 5.054 1.00 0.00 H new ATOM 0 HA LYS A 54 3.830 -16.625 5.130 1.00 0.01 H new ATOM 0 HB2 LYS A 54 6.054 -15.988 3.136 1.00 0.01 H new ATOM 0 HB3 LYS A 54 4.942 -17.326 2.927 1.00 0.01 H new ATOM 0 HG2 LYS A 54 3.002 -15.743 3.026 1.00 0.01 H new ATOM 0 HG3 LYS A 54 4.102 -14.399 3.265 1.00 0.01 H new ATOM 0 HD2 LYS A 54 5.193 -14.898 1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.094 -16.242 0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.200 -14.825 0.549 1.00 0.01 H new ATOM 0 HE3 LYS A 54 2.947 -13.491 1.406 1.00 0.01 H new ATOM 0 HZ1 LYS A 54 2.929 -13.097 -0.983 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 4.528 -13.234 -0.428 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 3.804 -14.526 -1.259 1.00 0.01 H new ATOM 810 N ILE A 55 6.930 -17.266 5.882 1.00 0.01 N ATOM 811 CA ILE A 55 7.803 -18.329 6.455 1.00 0.01 C ATOM 812 C ILE A 55 7.311 -18.667 7.864 1.00 0.00 C ATOM 813 O ILE A 55 7.292 -17.822 8.738 1.00 0.01 O ATOM 814 CB ILE A 55 9.246 -17.825 6.524 1.00 0.01 C ATOM 815 CG1 ILE A 55 9.789 -17.640 5.106 1.00 0.01 C ATOM 816 CG2 ILE A 55 10.110 -18.845 7.269 1.00 0.00 C ATOM 817 CD1 ILE A 55 11.076 -16.818 5.164 1.00 0.01 C ATOM 0 H ILE A 55 7.336 -16.331 5.867 1.00 0.01 H new ATOM 0 HA ILE A 55 7.764 -19.218 5.826 1.00 0.01 H new ATOM 0 HB ILE A 55 9.272 -16.872 7.053 1.00 0.01 H new ATOM 0 HG12 ILE A 55 9.983 -18.610 4.649 1.00 0.01 H new ATOM 0 HG13 ILE A 55 9.049 -17.136 4.483 1.00 0.01 H new ATOM 0 HG21 ILE A 55 11.138 -18.485 7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.724 -18.979 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.084 -19.798 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.467 -16.683 4.156 1.00 0.01 H new ATOM 0 HD12 ILE A 55 10.866 -15.844 5.605 1.00 0.01 H new ATOM 0 HD13 ILE A 55 11.814 -17.340 5.773 1.00 0.01 H new ATOM 829 N LYS A 56 6.911 -19.891 8.098 1.00 0.01 N ATOM 830 CA LYS A 56 6.420 -20.277 9.458 1.00 0.01 C ATOM 831 C LYS A 56 7.534 -20.987 10.227 1.00 0.01 C ATOM 832 O LYS A 56 7.354 -21.396 11.354 1.00 0.01 O ATOM 833 CB LYS A 56 5.222 -21.216 9.314 1.00 0.01 C ATOM 834 CG LYS A 56 4.039 -20.435 8.740 1.00 0.01 C ATOM 835 CD LYS A 56 2.833 -21.363 8.591 1.00 0.00 C ATOM 836 CE LYS A 56 1.656 -20.575 8.016 1.00 0.00 C ATOM 837 NZ LYS A 56 0.482 -21.480 7.858 1.00 0.00 N ATOM 0 H LYS A 56 6.903 -20.641 7.407 1.00 0.01 H new ATOM 0 HA LYS A 56 6.122 -19.382 10.003 1.00 0.01 H new ATOM 0 HB2 LYS A 56 5.475 -22.050 8.659 1.00 0.01 H new ATOM 0 HB3 LYS A 56 4.958 -21.640 10.283 1.00 0.01 H new ATOM 0 HG2 LYS A 56 3.789 -19.601 9.395 1.00 0.01 H new ATOM 0 HG3 LYS A 56 4.306 -20.011 7.772 1.00 0.01 H new ATOM 0 HD2 LYS A 56 3.081 -22.198 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.564 -21.786 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.403 -19.745 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.929 -20.144 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.319 -20.944 7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.727 -22.257 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.218 -21.871 8.785 1.00 0.00 H new ATOM 851 N SER A 57 8.684 -21.139 9.624 1.00 0.00 N ATOM 852 CA SER A 57 9.818 -21.824 10.317 1.00 0.01 C ATOM 853 C SER A 57 10.702 -20.765 11.013 1.00 0.01 C ATOM 854 O SER A 57 11.350 -19.992 10.339 1.00 0.00 O ATOM 855 CB SER A 57 10.665 -22.552 9.271 1.00 0.01 C ATOM 856 OG SER A 57 9.879 -23.561 8.648 1.00 0.01 O ATOM 0 H SER A 57 8.888 -20.817 8.678 1.00 0.00 H new ATOM 0 HA SER A 57 9.430 -22.529 11.052 1.00 0.01 H new ATOM 0 HB2 SER A 57 11.028 -21.845 8.525 1.00 0.01 H new ATOM 0 HB3 SER A 57 11.542 -22.997 9.742 1.00 0.01 H new ATOM 0 HG SER A 57 10.419 -24.028 7.976 1.00 0.01 H new ATOM 862 N PRO A 58 10.751 -20.703 12.338 1.00 0.00 N ATOM 863 CA PRO A 58 11.602 -19.677 13.005 1.00 0.01 C ATOM 864 C PRO A 58 13.098 -19.953 12.801 1.00 0.00 C ATOM 865 O PRO A 58 13.943 -19.177 13.201 1.00 0.00 O ATOM 866 CB PRO A 58 11.199 -19.808 14.489 1.00 0.01 C ATOM 867 CG PRO A 58 10.335 -21.075 14.648 1.00 0.01 C ATOM 868 CD PRO A 58 9.992 -21.615 13.246 1.00 0.01 C ATOM 0 HA PRO A 58 11.452 -18.675 12.604 1.00 0.01 H new ATOM 0 HB2 PRO A 58 12.086 -19.872 15.119 1.00 0.01 H new ATOM 0 HB3 PRO A 58 10.643 -18.927 14.810 1.00 0.01 H new ATOM 0 HG2 PRO A 58 10.872 -21.829 15.223 1.00 0.01 H new ATOM 0 HG3 PRO A 58 9.423 -20.844 15.198 1.00 0.01 H new ATOM 0 HD2 PRO A 58 10.302 -22.653 13.127 1.00 0.01 H new ATOM 0 HD3 PRO A 58 8.920 -21.578 13.051 1.00 0.01 H new ATOM 876 N SER A 59 13.427 -21.053 12.181 1.00 0.01 N ATOM 877 CA SER A 59 14.863 -21.385 11.953 1.00 0.01 C ATOM 878 C SER A 59 15.354 -20.719 10.663 1.00 0.01 C ATOM 879 O SER A 59 16.531 -20.468 10.498 1.00 0.01 O ATOM 880 CB SER A 59 15.018 -22.901 11.829 1.00 0.01 C ATOM 881 OG SER A 59 14.417 -23.335 10.617 1.00 0.01 O ATOM 0 H SER A 59 12.762 -21.738 11.822 1.00 0.01 H new ATOM 0 HA SER A 59 15.454 -21.020 12.793 1.00 0.01 H new ATOM 0 HB2 SER A 59 16.073 -23.173 11.843 1.00 0.01 H new ATOM 0 HB3 SER A 59 14.550 -23.397 12.679 1.00 0.01 H new ATOM 0 HG SER A 59 14.516 -24.306 10.532 1.00 0.01 H new ATOM 887 N LYS A 60 14.466 -20.435 9.745 1.00 0.00 N ATOM 888 CA LYS A 60 14.896 -19.792 8.464 1.00 0.00 C ATOM 889 C LYS A 60 14.787 -18.272 8.587 1.00 0.01 C ATOM 890 O LYS A 60 15.384 -17.536 7.827 1.00 0.01 O ATOM 891 CB LYS A 60 13.984 -20.272 7.328 1.00 0.01 C ATOM 892 CG LYS A 60 14.191 -21.774 7.075 1.00 0.01 C ATOM 893 CD LYS A 60 15.450 -22.009 6.228 1.00 0.01 C ATOM 894 CE LYS A 60 15.494 -23.470 5.785 1.00 0.01 C ATOM 895 NZ LYS A 60 16.701 -23.694 4.940 1.00 0.01 N ATOM 0 H LYS A 60 13.466 -20.619 9.825 1.00 0.00 H new ATOM 0 HA LYS A 60 15.930 -20.065 8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.942 -20.080 7.583 1.00 0.01 H new ATOM 0 HB3 LYS A 60 14.198 -19.710 6.419 1.00 0.01 H new ATOM 0 HG2 LYS A 60 14.282 -22.300 8.026 1.00 0.01 H new ATOM 0 HG3 LYS A 60 13.320 -22.186 6.565 1.00 0.01 H new ATOM 0 HD2 LYS A 60 15.444 -21.353 5.358 1.00 0.01 H new ATOM 0 HD3 LYS A 60 16.342 -21.765 6.805 1.00 0.01 H new ATOM 0 HE2 LYS A 60 15.519 -24.125 6.656 1.00 0.01 H new ATOM 0 HE3 LYS A 60 14.593 -23.719 5.225 1.00 0.01 H new ATOM 0 HZ1 LYS A 60 16.733 -24.688 4.637 1.00 0.01 H new ATOM 0 HZ2 LYS A 60 16.658 -23.078 4.103 1.00 0.01 H new ATOM 0 HZ3 LYS A 60 17.556 -23.472 5.489 1.00 0.01 H new ATOM 909 N LEU A 61 14.033 -17.793 9.534 1.00 0.01 N ATOM 910 CA LEU A 61 13.899 -16.317 9.697 1.00 0.01 C ATOM 911 C LEU A 61 15.269 -15.716 10.038 1.00 0.01 C ATOM 912 O LEU A 61 15.627 -14.655 9.567 1.00 0.01 O ATOM 913 CB LEU A 61 12.914 -16.010 10.830 1.00 0.01 C ATOM 914 CG LEU A 61 11.531 -16.602 10.513 1.00 0.00 C ATOM 915 CD1 LEU A 61 10.562 -16.282 11.661 1.00 0.01 C ATOM 916 CD2 LEU A 61 10.986 -16.017 9.196 1.00 0.01 C ATOM 0 H LEU A 61 13.505 -18.355 10.201 1.00 0.01 H new ATOM 0 HA LEU A 61 13.529 -15.883 8.768 1.00 0.01 H new ATOM 0 HB2 LEU A 61 13.287 -16.423 11.767 1.00 0.01 H new ATOM 0 HB3 LEU A 61 12.832 -14.932 10.967 1.00 0.01 H new ATOM 0 HG LEU A 61 11.625 -17.682 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.581 -16.701 11.437 1.00 0.01 H new ATOM 0 HD12 LEU A 61 10.939 -16.716 12.587 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.477 -15.201 11.775 1.00 0.01 H new ATOM 0 HD21 LEU A 61 10.006 -16.446 8.985 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.896 -14.935 9.288 1.00 0.01 H new ATOM 0 HD23 LEU A 61 11.670 -16.256 8.381 1.00 0.01 H new ATOM 928 N SER A 62 16.031 -16.384 10.863 1.00 0.00 N ATOM 929 CA SER A 62 17.372 -15.853 11.258 1.00 0.01 C ATOM 930 C SER A 62 18.173 -15.385 10.022 1.00 0.01 C ATOM 931 O SER A 62 18.467 -14.212 9.898 1.00 0.01 O ATOM 932 CB SER A 62 18.142 -16.936 12.032 1.00 0.01 C ATOM 933 OG SER A 62 17.999 -16.699 13.425 1.00 0.01 O ATOM 0 H SER A 62 15.782 -17.279 11.283 1.00 0.00 H new ATOM 0 HA SER A 62 17.232 -14.985 11.902 1.00 0.01 H new ATOM 0 HB2 SER A 62 17.760 -17.924 11.777 1.00 0.01 H new ATOM 0 HB3 SER A 62 19.196 -16.920 11.754 1.00 0.01 H new ATOM 0 HG SER A 62 18.486 -17.387 13.925 1.00 0.01 H new ATOM 939 N PRO A 63 18.543 -16.269 9.120 1.00 0.00 N ATOM 940 CA PRO A 63 19.329 -15.857 7.922 1.00 0.00 C ATOM 941 C PRO A 63 18.812 -14.559 7.276 1.00 0.01 C ATOM 942 O PRO A 63 19.525 -13.579 7.179 1.00 0.00 O ATOM 943 CB PRO A 63 19.162 -17.070 6.980 1.00 0.01 C ATOM 944 CG PRO A 63 18.446 -18.195 7.758 1.00 0.01 C ATOM 945 CD PRO A 63 18.221 -17.721 9.206 1.00 0.01 C ATOM 0 HA PRO A 63 20.366 -15.624 8.163 1.00 0.00 H new ATOM 0 HB2 PRO A 63 18.583 -16.790 6.100 1.00 0.01 H new ATOM 0 HB3 PRO A 63 20.135 -17.413 6.627 1.00 0.01 H new ATOM 0 HG2 PRO A 63 17.493 -18.435 7.286 1.00 0.01 H new ATOM 0 HG3 PRO A 63 19.046 -19.105 7.746 1.00 0.01 H new ATOM 0 HD2 PRO A 63 17.196 -17.891 9.535 1.00 0.01 H new ATOM 0 HD3 PRO A 63 18.872 -18.241 9.909 1.00 0.01 H new ATOM 953 N LYS A 64 17.592 -14.552 6.818 1.00 0.01 N ATOM 954 CA LYS A 64 17.051 -13.328 6.162 1.00 0.01 C ATOM 955 C LYS A 64 16.775 -12.235 7.202 1.00 0.00 C ATOM 956 O LYS A 64 16.818 -11.060 6.899 1.00 0.00 O ATOM 957 CB LYS A 64 15.761 -13.678 5.416 1.00 0.00 C ATOM 958 CG LYS A 64 14.646 -13.996 6.424 1.00 0.01 C ATOM 959 CD LYS A 64 13.434 -14.620 5.707 1.00 0.01 C ATOM 960 CE LYS A 64 12.547 -13.525 5.094 1.00 0.01 C ATOM 961 NZ LYS A 64 11.754 -14.104 3.974 1.00 0.00 N ATOM 0 H LYS A 64 16.946 -15.340 6.869 1.00 0.01 H new ATOM 0 HA LYS A 64 17.790 -12.950 5.455 1.00 0.01 H new ATOM 0 HB2 LYS A 64 15.461 -12.846 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 64 15.929 -14.535 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.019 -14.682 7.184 1.00 0.01 H new ATOM 0 HG3 LYS A 64 14.342 -13.085 6.939 1.00 0.01 H new ATOM 0 HD2 LYS A 64 13.776 -15.298 4.926 1.00 0.01 H new ATOM 0 HD3 LYS A 64 12.853 -15.214 6.413 1.00 0.01 H new ATOM 0 HE2 LYS A 64 11.881 -13.114 5.852 1.00 0.01 H new ATOM 0 HE3 LYS A 64 13.163 -12.702 4.731 1.00 0.01 H new ATOM 0 HZ1 LYS A 64 11.683 -13.409 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.224 -14.963 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.801 -14.345 4.312 1.00 0.00 H new ATOM 975 N ALA A 65 16.495 -12.603 8.424 1.00 0.00 N ATOM 976 CA ALA A 65 16.220 -11.562 9.458 1.00 0.01 C ATOM 977 C ALA A 65 17.439 -10.654 9.590 1.00 0.01 C ATOM 978 O ALA A 65 17.331 -9.444 9.572 1.00 0.01 O ATOM 979 CB ALA A 65 15.951 -12.228 10.808 1.00 0.01 C ATOM 0 H ALA A 65 16.445 -13.569 8.749 1.00 0.00 H new ATOM 0 HA ALA A 65 15.348 -10.981 9.159 1.00 0.01 H new ATOM 0 HB1 ALA A 65 15.751 -11.463 11.558 1.00 0.01 H new ATOM 0 HB2 ALA A 65 15.087 -12.887 10.723 1.00 0.01 H new ATOM 0 HB3 ALA A 65 16.823 -12.810 11.107 1.00 0.01 H new ATOM 985 N LYS A 66 18.602 -11.228 9.722 1.00 0.01 N ATOM 986 CA LYS A 66 19.826 -10.396 9.852 1.00 0.00 C ATOM 987 C LYS A 66 19.968 -9.528 8.604 1.00 0.01 C ATOM 988 O LYS A 66 20.265 -8.354 8.682 1.00 0.01 O ATOM 989 CB LYS A 66 21.047 -11.310 9.980 1.00 0.01 C ATOM 990 CG LYS A 66 20.982 -12.063 11.309 1.00 0.01 C ATOM 991 CD LYS A 66 22.200 -12.977 11.442 1.00 0.01 C ATOM 992 CE LYS A 66 22.133 -13.730 12.772 1.00 0.00 C ATOM 993 NZ LYS A 66 22.258 -12.765 13.899 1.00 0.00 N ATOM 0 H LYS A 66 18.756 -12.236 9.745 1.00 0.01 H new ATOM 0 HA LYS A 66 19.754 -9.762 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 66 21.075 -12.016 9.150 1.00 0.01 H new ATOM 0 HB3 LYS A 66 21.963 -10.721 9.928 1.00 0.01 H new ATOM 0 HG2 LYS A 66 20.953 -11.356 12.138 1.00 0.01 H new ATOM 0 HG3 LYS A 66 20.066 -12.652 11.360 1.00 0.01 H new ATOM 0 HD2 LYS A 66 22.229 -13.684 10.613 1.00 0.01 H new ATOM 0 HD3 LYS A 66 23.116 -12.389 11.391 1.00 0.01 H new ATOM 0 HE2 LYS A 66 21.191 -14.272 12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.932 -14.470 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.534 -13.274 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 22.983 -12.055 13.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.345 -12.291 14.053 1.00 0.00 H new ATOM 1007 N LYS A 67 19.752 -10.101 7.449 1.00 0.00 N ATOM 1008 CA LYS A 67 19.872 -9.314 6.192 1.00 0.00 C ATOM 1009 C LYS A 67 18.814 -8.211 6.179 1.00 0.01 C ATOM 1010 O LYS A 67 19.110 -7.056 5.943 1.00 0.01 O ATOM 1011 CB LYS A 67 19.654 -10.243 4.997 1.00 0.00 C ATOM 1012 CG LYS A 67 20.847 -11.193 4.873 1.00 0.01 C ATOM 1013 CD LYS A 67 20.641 -12.127 3.681 1.00 0.00 C ATOM 1014 CE LYS A 67 21.837 -13.072 3.564 1.00 0.00 C ATOM 1015 NZ LYS A 67 22.104 -13.699 4.890 1.00 0.01 N ATOM 0 H LYS A 67 19.498 -11.081 7.324 1.00 0.00 H new ATOM 0 HA LYS A 67 20.863 -8.865 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 18.733 -10.812 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 67 19.542 -9.659 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.767 -10.622 4.745 1.00 0.01 H new ATOM 0 HG3 LYS A 67 20.957 -11.775 5.788 1.00 0.01 H new ATOM 0 HD2 LYS A 67 19.722 -12.699 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.531 -11.547 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.635 -13.842 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.716 -12.524 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.636 -14.582 4.755 1.00 0.01 H new ATOM 0 HZ2 LYS A 67 22.661 -13.046 5.477 1.00 0.01 H new ATOM 0 HZ3 LYS A 67 21.202 -13.907 5.364 1.00 0.01 H new ATOM 1029 N ILE A 68 17.581 -8.553 6.440 1.00 0.01 N ATOM 1030 CA ILE A 68 16.515 -7.514 6.452 1.00 0.00 C ATOM 1031 C ILE A 68 16.831 -6.499 7.549 1.00 0.01 C ATOM 1032 O ILE A 68 16.832 -5.304 7.325 1.00 0.00 O ATOM 1033 CB ILE A 68 15.163 -8.179 6.736 1.00 0.01 C ATOM 1034 CG1 ILE A 68 14.760 -9.038 5.533 1.00 0.00 C ATOM 1035 CG2 ILE A 68 14.099 -7.103 6.973 1.00 0.00 C ATOM 1036 CD1 ILE A 68 13.553 -9.903 5.902 1.00 0.00 C ATOM 0 H ILE A 68 17.268 -9.502 6.644 1.00 0.01 H new ATOM 0 HA ILE A 68 16.471 -7.010 5.486 1.00 0.00 H new ATOM 0 HB ILE A 68 15.246 -8.806 7.624 1.00 0.01 H new ATOM 0 HG12 ILE A 68 14.517 -8.400 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.594 -9.670 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.139 -7.579 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.386 -6.489 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.013 -6.474 6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 68 13.267 -10.513 5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.812 -10.551 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 68 12.718 -9.261 6.185 1.00 0.00 H new ATOM 1048 N TYR A 69 17.107 -6.972 8.731 1.00 0.00 N ATOM 1049 CA TYR A 69 17.431 -6.053 9.852 1.00 0.01 C ATOM 1050 C TYR A 69 18.677 -5.236 9.509 1.00 0.00 C ATOM 1051 O TYR A 69 18.704 -4.030 9.638 1.00 0.01 O ATOM 1052 CB TYR A 69 17.706 -6.876 11.109 1.00 0.01 C ATOM 1053 CG TYR A 69 18.055 -5.953 12.251 1.00 0.01 C ATOM 1054 CD1 TYR A 69 19.382 -5.553 12.441 1.00 0.01 C ATOM 1055 CD2 TYR A 69 17.056 -5.504 13.123 1.00 0.00 C ATOM 1056 CE1 TYR A 69 19.712 -4.703 13.502 1.00 0.01 C ATOM 1057 CE2 TYR A 69 17.386 -4.653 14.185 1.00 0.01 C ATOM 1058 CZ TYR A 69 18.715 -4.252 14.374 1.00 0.01 C ATOM 1059 OH TYR A 69 19.040 -3.413 15.419 1.00 0.01 O ATOM 0 H TYR A 69 17.122 -7.964 8.969 1.00 0.00 H new ATOM 0 HA TYR A 69 16.591 -5.379 10.021 1.00 0.01 H new ATOM 0 HB2 TYR A 69 16.830 -7.472 11.365 1.00 0.01 H new ATOM 0 HB3 TYR A 69 18.524 -7.573 10.928 1.00 0.01 H new ATOM 0 HD1 TYR A 69 20.152 -5.901 11.768 1.00 0.01 H new ATOM 0 HD2 TYR A 69 16.032 -5.814 12.977 1.00 0.00 H new ATOM 0 HE1 TYR A 69 20.737 -4.395 13.648 1.00 0.01 H new ATOM 0 HE2 TYR A 69 16.616 -4.306 14.858 1.00 0.01 H new ATOM 0 HH TYR A 69 18.438 -2.640 15.417 1.00 0.01 H new ATOM 1069 N ASN A 70 19.719 -5.892 9.083 1.00 0.01 N ATOM 1070 CA ASN A 70 20.974 -5.166 8.747 1.00 0.00 C ATOM 1071 C ASN A 70 20.725 -4.185 7.602 1.00 0.00 C ATOM 1072 O ASN A 70 21.253 -3.096 7.580 1.00 0.01 O ATOM 1073 CB ASN A 70 22.047 -6.170 8.325 1.00 0.00 C ATOM 1074 CG ASN A 70 22.492 -6.980 9.545 1.00 0.01 C ATOM 1075 OD1 ASN A 70 22.382 -6.523 10.664 1.00 0.01 O ATOM 1076 ND2 ASN A 70 22.992 -8.173 9.373 1.00 0.01 N ATOM 0 H ASN A 70 19.756 -6.903 8.953 1.00 0.01 H new ATOM 0 HA ASN A 70 21.308 -4.614 9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 70 21.656 -6.836 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 70 22.899 -5.647 7.891 1.00 0.00 H new ATOM 0 HD21 ASN A 70 23.291 -8.722 10.179 1.00 0.01 H new ATOM 0 HD22 ASN A 70 23.084 -8.557 8.432 1.00 0.01 H new ATOM 1083 N GLU A 71 19.958 -4.569 6.631 1.00 0.00 N ATOM 1084 CA GLU A 71 19.717 -3.661 5.479 1.00 0.00 C ATOM 1085 C GLU A 71 18.715 -2.549 5.835 1.00 0.00 C ATOM 1086 O GLU A 71 19.008 -1.377 5.708 1.00 0.00 O ATOM 1087 CB GLU A 71 19.168 -4.485 4.309 1.00 0.00 C ATOM 1088 CG GLU A 71 18.973 -3.590 3.082 1.00 0.00 C ATOM 1089 CD GLU A 71 18.458 -4.433 1.916 1.00 0.00 C ATOM 1090 OE1 GLU A 71 18.458 -5.647 2.042 1.00 0.00 O ATOM 1091 OE2 GLU A 71 18.071 -3.852 0.915 1.00 0.00 O ATOM 0 H GLU A 71 19.486 -5.472 6.581 1.00 0.00 H new ATOM 0 HA GLU A 71 20.660 -3.187 5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 71 19.856 -5.297 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 71 18.219 -4.943 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.266 -2.792 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 71 19.915 -3.113 2.812 1.00 0.00 H new ATOM 1098 N PHE A 72 17.520 -2.908 6.218 1.00 0.00 N ATOM 1099 CA PHE A 72 16.476 -1.874 6.512 1.00 0.00 C ATOM 1100 C PHE A 72 16.545 -1.312 7.944 1.00 0.00 C ATOM 1101 O PHE A 72 16.204 -0.165 8.162 1.00 0.00 O ATOM 1102 CB PHE A 72 15.100 -2.505 6.312 1.00 0.00 C ATOM 1103 CG PHE A 72 14.902 -2.848 4.854 1.00 0.00 C ATOM 1104 CD1 PHE A 72 15.314 -4.095 4.369 1.00 0.00 C ATOM 1105 CD2 PHE A 72 14.308 -1.921 3.989 1.00 0.00 C ATOM 1106 CE1 PHE A 72 15.129 -4.416 3.019 1.00 0.00 C ATOM 1107 CE2 PHE A 72 14.124 -2.244 2.639 1.00 0.00 C ATOM 1108 CZ PHE A 72 14.536 -3.490 2.153 1.00 0.00 C ATOM 0 H PHE A 72 17.217 -3.874 6.341 1.00 0.00 H new ATOM 0 HA PHE A 72 16.656 -1.041 5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 72 15.010 -3.404 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.322 -1.816 6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.774 -4.809 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.992 -0.958 4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.444 -5.379 2.645 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.663 -1.530 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 72 14.397 -3.737 1.111 1.00 0.00 H new ATOM 1118 N ILE A 73 16.911 -2.097 8.930 1.00 0.00 N ATOM 1119 CA ILE A 73 16.903 -1.570 10.342 1.00 0.00 C ATOM 1120 C ILE A 73 18.284 -1.087 10.801 1.00 0.00 C ATOM 1121 O ILE A 73 18.392 -0.438 11.823 1.00 0.01 O ATOM 1122 CB ILE A 73 16.425 -2.675 11.288 1.00 0.00 C ATOM 1123 CG1 ILE A 73 15.038 -3.183 10.844 1.00 0.00 C ATOM 1124 CG2 ILE A 73 16.354 -2.138 12.722 1.00 0.00 C ATOM 1125 CD1 ILE A 73 14.012 -2.040 10.811 1.00 0.00 C ATOM 0 H ILE A 73 17.211 -3.066 8.826 1.00 0.00 H new ATOM 0 HA ILE A 73 16.230 -0.713 10.364 1.00 0.00 H new ATOM 0 HB ILE A 73 17.132 -3.504 11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 73 15.113 -3.636 9.856 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.697 -3.961 11.527 1.00 0.00 H new ATOM 0 HG21 ILE A 73 16.013 -2.929 13.390 1.00 0.00 H new ATOM 0 HG22 ILE A 73 17.343 -1.801 13.034 1.00 0.00 H new ATOM 0 HG23 ILE A 73 15.656 -1.302 12.763 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.044 -2.429 10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.920 -1.605 11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.343 -1.274 10.109 1.00 0.00 H new ATOM 1137 N SER A 74 19.341 -1.372 10.095 1.00 0.01 N ATOM 1138 CA SER A 74 20.663 -0.877 10.582 1.00 0.00 C ATOM 1139 C SER A 74 20.618 0.647 10.659 1.00 0.00 C ATOM 1140 O SER A 74 20.223 1.315 9.724 1.00 0.01 O ATOM 1141 CB SER A 74 21.783 -1.300 9.632 1.00 0.00 C ATOM 1142 OG SER A 74 21.461 -0.893 8.311 1.00 0.01 O ATOM 0 H SER A 74 19.353 -1.909 9.228 1.00 0.01 H new ATOM 0 HA SER A 74 20.862 -1.304 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.727 -0.851 9.942 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.917 -2.381 9.669 1.00 0.00 H new ATOM 0 HG SER A 74 21.314 -1.684 7.752 1.00 0.01 H new ATOM 1148 N VAL A 75 21.025 1.207 11.765 1.00 0.01 N ATOM 1149 CA VAL A 75 21.009 2.689 11.891 1.00 0.01 C ATOM 1150 C VAL A 75 21.907 3.281 10.804 1.00 0.00 C ATOM 1151 O VAL A 75 21.848 4.455 10.499 1.00 0.00 O ATOM 1152 CB VAL A 75 21.518 3.093 13.277 1.00 0.00 C ATOM 1153 CG1 VAL A 75 20.709 2.356 14.349 1.00 0.01 C ATOM 1154 CG2 VAL A 75 23.002 2.731 13.410 1.00 0.00 C ATOM 0 H VAL A 75 21.367 0.703 12.583 1.00 0.01 H new ATOM 0 HA VAL A 75 19.993 3.066 11.771 1.00 0.01 H new ATOM 0 HB VAL A 75 21.400 4.169 13.407 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.069 2.642 15.337 1.00 0.01 H new ATOM 0 HG12 VAL A 75 19.656 2.621 14.256 1.00 0.01 H new ATOM 0 HG13 VAL A 75 20.826 1.280 14.217 1.00 0.01 H new ATOM 0 HG21 VAL A 75 23.360 3.020 14.398 1.00 0.00 H new ATOM 0 HG22 VAL A 75 23.127 1.656 13.279 1.00 0.00 H new ATOM 0 HG23 VAL A 75 23.575 3.259 12.648 1.00 0.00 H new ATOM 1164 N GLN A 76 22.742 2.461 10.216 1.00 0.01 N ATOM 1165 CA GLN A 76 23.659 2.941 9.137 1.00 0.01 C ATOM 1166 C GLN A 76 23.066 2.565 7.779 1.00 0.01 C ATOM 1167 O GLN A 76 23.664 2.783 6.745 1.00 0.01 O ATOM 1168 CB GLN A 76 25.014 2.252 9.289 1.00 0.00 C ATOM 1169 CG GLN A 76 25.725 2.776 10.537 1.00 0.01 C ATOM 1170 CD GLN A 76 27.079 2.080 10.679 1.00 0.01 C ATOM 1171 OE1 GLN A 76 27.769 1.862 9.703 1.00 0.01 O ATOM 1172 NE2 GLN A 76 27.491 1.718 11.863 1.00 0.01 N ATOM 0 H GLN A 76 22.828 1.470 10.440 1.00 0.01 H new ATOM 0 HA GLN A 76 23.780 4.022 9.208 1.00 0.01 H new ATOM 0 HB2 GLN A 76 24.877 1.173 9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.627 2.436 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 76 25.864 3.855 10.464 1.00 0.01 H new ATOM 0 HG3 GLN A 76 25.115 2.592 11.421 1.00 0.01 H new ATOM 0 HE21 GLN A 76 26.912 1.901 12.682 1.00 0.01 H new ATOM 0 HE22 GLN A 76 28.392 1.252 11.969 1.00 0.01 H new ATOM 1181 N ALA A 77 21.897 1.990 7.782 1.00 0.01 N ATOM 1182 CA ALA A 77 21.256 1.581 6.500 1.00 0.00 C ATOM 1183 C ALA A 77 21.324 2.728 5.493 1.00 0.01 C ATOM 1184 O ALA A 77 21.138 3.880 5.832 1.00 0.00 O ATOM 1185 CB ALA A 77 19.790 1.227 6.758 1.00 0.00 C ATOM 0 H ALA A 77 21.354 1.784 8.621 1.00 0.01 H new ATOM 0 HA ALA A 77 21.783 0.716 6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.318 0.927 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 77 19.734 0.405 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 77 19.272 2.096 7.164 1.00 0.00 H new ATOM 1191 N THR A 78 21.579 2.420 4.250 1.00 0.01 N ATOM 1192 CA THR A 78 21.643 3.491 3.219 1.00 0.01 C ATOM 1193 C THR A 78 20.232 4.032 2.995 1.00 0.01 C ATOM 1194 O THR A 78 20.042 5.126 2.503 1.00 0.00 O ATOM 1195 CB THR A 78 22.188 2.910 1.911 1.00 0.00 C ATOM 1196 OG1 THR A 78 21.284 1.929 1.420 1.00 0.01 O ATOM 1197 CG2 THR A 78 23.551 2.265 2.165 1.00 0.01 C ATOM 0 H THR A 78 21.745 1.474 3.906 1.00 0.01 H new ATOM 0 HA THR A 78 22.301 4.294 3.551 1.00 0.01 H new ATOM 0 HB THR A 78 22.297 3.708 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 78 21.629 1.556 0.582 1.00 0.01 H new ATOM 0 HG21 THR A 78 23.937 1.852 1.233 1.00 0.01 H new ATOM 0 HG22 THR A 78 24.244 3.016 2.544 1.00 0.01 H new ATOM 0 HG23 THR A 78 23.444 1.466 2.899 1.00 0.01 H new ATOM 1205 N LYS A 79 19.237 3.264 3.370 1.00 0.00 N ATOM 1206 CA LYS A 79 17.818 3.705 3.209 1.00 0.00 C ATOM 1207 C LYS A 79 17.042 3.376 4.489 1.00 0.00 C ATOM 1208 O LYS A 79 16.285 2.430 4.551 1.00 0.00 O ATOM 1209 CB LYS A 79 17.188 2.990 2.002 1.00 0.00 C ATOM 1210 CG LYS A 79 17.502 1.488 2.044 1.00 0.00 C ATOM 1211 CD LYS A 79 16.970 0.823 0.772 1.00 0.01 C ATOM 1212 CE LYS A 79 17.042 -0.698 0.922 1.00 0.00 C ATOM 1213 NZ LYS A 79 18.435 -1.100 1.266 1.00 0.00 N ATOM 0 H LYS A 79 19.351 2.340 3.786 1.00 0.00 H new ATOM 0 HA LYS A 79 17.781 4.780 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.109 3.142 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.569 3.422 1.076 1.00 0.00 H new ATOM 0 HG2 LYS A 79 18.578 1.332 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.045 1.034 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.941 1.133 0.590 1.00 0.01 H new ATOM 0 HD3 LYS A 79 17.556 1.142 -0.090 1.00 0.01 H new ATOM 0 HE2 LYS A 79 16.354 -1.030 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.732 -1.180 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.582 -2.097 1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.108 -0.504 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.589 -0.980 2.288 1.00 0.00 H new ATOM 1227 N GLU A 80 17.225 4.159 5.518 1.00 0.00 N ATOM 1228 CA GLU A 80 16.503 3.890 6.793 1.00 0.00 C ATOM 1229 C GLU A 80 14.997 3.948 6.548 1.00 0.00 C ATOM 1230 O GLU A 80 14.506 4.787 5.818 1.00 0.00 O ATOM 1231 CB GLU A 80 16.890 4.945 7.833 1.00 0.00 C ATOM 1232 CG GLU A 80 18.336 4.721 8.280 1.00 0.00 C ATOM 1233 CD GLU A 80 18.717 5.776 9.320 1.00 0.01 C ATOM 1234 OE1 GLU A 80 19.172 6.835 8.920 1.00 0.00 O ATOM 1235 OE2 GLU A 80 18.547 5.508 10.498 1.00 0.01 O ATOM 0 H GLU A 80 17.842 4.971 5.530 1.00 0.00 H new ATOM 0 HA GLU A 80 16.774 2.900 7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.780 5.944 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.221 4.887 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 80 18.447 3.722 8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.006 4.781 7.423 1.00 0.00 H new ATOM 1242 N VAL A 81 14.258 3.060 7.155 1.00 0.00 N ATOM 1243 CA VAL A 81 12.780 3.054 6.964 1.00 0.00 C ATOM 1244 C VAL A 81 12.142 3.973 8.005 1.00 0.00 C ATOM 1245 O VAL A 81 12.701 4.218 9.055 1.00 0.00 O ATOM 1246 CB VAL A 81 12.255 1.624 7.137 1.00 0.00 C ATOM 1247 CG1 VAL A 81 12.496 0.828 5.849 1.00 0.00 C ATOM 1248 CG2 VAL A 81 13.001 0.952 8.294 1.00 0.00 C ATOM 0 H VAL A 81 14.616 2.336 7.777 1.00 0.00 H new ATOM 0 HA VAL A 81 12.529 3.409 5.964 1.00 0.00 H new ATOM 0 HB VAL A 81 11.187 1.651 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.122 -0.188 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.973 1.308 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.564 0.798 5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.632 -0.066 8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.068 0.926 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.834 1.517 9.211 1.00 0.00 H new ATOM 1258 N ASN A 82 10.983 4.497 7.718 1.00 0.00 N ATOM 1259 CA ASN A 82 10.328 5.412 8.692 1.00 0.00 C ATOM 1260 C ASN A 82 9.736 4.606 9.849 1.00 0.00 C ATOM 1261 O ASN A 82 8.645 4.078 9.762 1.00 0.00 O ATOM 1262 CB ASN A 82 9.220 6.198 7.992 1.00 0.00 C ATOM 1263 CG ASN A 82 8.338 5.241 7.187 1.00 0.00 C ATOM 1264 OD1 ASN A 82 7.465 5.669 6.458 1.00 0.00 O ATOM 1265 ND2 ASN A 82 8.532 3.954 7.284 1.00 0.00 N ATOM 0 H ASN A 82 10.464 4.332 6.856 1.00 0.00 H new ATOM 0 HA ASN A 82 11.071 6.106 9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.618 6.730 8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.655 6.949 7.332 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.951 3.309 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.264 3.593 7.895 1.00 0.00 H new ATOM 1272 N LEU A 83 10.452 4.519 10.939 1.00 0.00 N ATOM 1273 CA LEU A 83 9.952 3.763 12.128 1.00 0.00 C ATOM 1274 C LEU A 83 10.350 4.533 13.389 1.00 0.00 C ATOM 1275 O LEU A 83 11.309 5.278 13.389 1.00 0.00 O ATOM 1276 CB LEU A 83 10.595 2.368 12.173 1.00 0.01 C ATOM 1277 CG LEU A 83 10.136 1.516 10.980 1.00 0.00 C ATOM 1278 CD1 LEU A 83 10.973 0.234 10.935 1.00 0.00 C ATOM 1279 CD2 LEU A 83 8.652 1.143 11.125 1.00 0.00 C ATOM 0 H LEU A 83 11.372 4.944 11.059 1.00 0.00 H new ATOM 0 HA LEU A 83 8.869 3.655 12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.681 2.463 12.161 1.00 0.01 H new ATOM 0 HB3 LEU A 83 10.328 1.870 13.105 1.00 0.01 H new ATOM 0 HG LEU A 83 10.267 2.089 10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.655 -0.379 10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 83 12.026 0.491 10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.834 -0.324 11.861 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.343 0.540 10.271 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.508 0.573 12.043 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.051 2.051 11.164 1.00 0.00 H new ATOM 1291 N ASP A 84 9.633 4.360 14.464 1.00 0.01 N ATOM 1292 CA ASP A 84 9.996 5.091 15.709 1.00 0.00 C ATOM 1293 C ASP A 84 11.257 4.461 16.307 1.00 0.00 C ATOM 1294 O ASP A 84 11.682 3.396 15.904 1.00 0.00 O ATOM 1295 CB ASP A 84 8.836 5.027 16.711 1.00 0.00 C ATOM 1296 CG ASP A 84 8.521 3.573 17.051 1.00 0.01 C ATOM 1297 OD1 ASP A 84 9.359 2.730 16.793 1.00 0.01 O ATOM 1298 OD2 ASP A 84 7.440 3.326 17.560 1.00 0.00 O ATOM 0 H ASP A 84 8.819 3.750 14.535 1.00 0.01 H new ATOM 0 HA ASP A 84 10.192 6.138 15.479 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.097 5.573 17.618 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.954 5.510 16.291 1.00 0.00 H new ATOM 1303 N SER A 85 11.875 5.122 17.243 1.00 0.00 N ATOM 1304 CA SER A 85 13.129 4.580 17.844 1.00 0.01 C ATOM 1305 C SER A 85 12.835 3.332 18.679 1.00 0.01 C ATOM 1306 O SER A 85 13.710 2.529 18.923 1.00 0.00 O ATOM 1307 CB SER A 85 13.763 5.644 18.738 1.00 0.01 C ATOM 1308 OG SER A 85 15.067 5.220 19.116 1.00 0.00 O ATOM 0 H SER A 85 11.567 6.018 17.621 1.00 0.00 H new ATOM 0 HA SER A 85 13.812 4.310 17.038 1.00 0.01 H new ATOM 0 HB2 SER A 85 13.816 6.596 18.210 1.00 0.01 H new ATOM 0 HB3 SER A 85 13.149 5.805 19.624 1.00 0.01 H new ATOM 0 HG SER A 85 15.479 5.900 19.689 1.00 0.00 H new ATOM 1314 N CYS A 86 11.627 3.159 19.137 1.00 0.01 N ATOM 1315 CA CYS A 86 11.321 1.961 19.973 1.00 0.01 C ATOM 1316 C CYS A 86 11.050 0.741 19.087 1.00 0.00 C ATOM 1317 O CYS A 86 11.496 -0.348 19.374 1.00 0.01 O ATOM 1318 CB CYS A 86 10.089 2.243 20.834 1.00 0.01 C ATOM 1319 SG CYS A 86 8.627 2.365 19.778 1.00 0.01 S ATOM 0 H CYS A 86 10.842 3.789 18.971 1.00 0.01 H new ATOM 0 HA CYS A 86 12.181 1.750 20.609 1.00 0.01 H new ATOM 0 HB2 CYS A 86 9.955 1.448 21.567 1.00 0.01 H new ATOM 0 HB3 CYS A 86 10.226 3.170 21.391 1.00 0.01 H new ATOM 0 HG CYS A 86 7.581 2.603 20.512 1.00 0.01 H new ATOM 1325 N THR A 87 10.318 0.905 18.021 1.00 0.00 N ATOM 1326 CA THR A 87 10.020 -0.267 17.145 1.00 0.00 C ATOM 1327 C THR A 87 11.320 -0.866 16.604 1.00 0.00 C ATOM 1328 O THR A 87 11.501 -2.068 16.601 1.00 0.01 O ATOM 1329 CB THR A 87 9.144 0.174 15.968 1.00 0.00 C ATOM 1330 OG1 THR A 87 7.934 0.732 16.463 1.00 0.00 O ATOM 1331 CG2 THR A 87 8.818 -1.043 15.096 1.00 0.00 C ATOM 0 H THR A 87 9.915 1.792 17.718 1.00 0.00 H new ATOM 0 HA THR A 87 9.494 -1.018 17.735 1.00 0.00 H new ATOM 0 HB THR A 87 9.676 0.919 15.376 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.133 1.333 17.211 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.195 -0.733 14.257 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.743 -1.479 14.719 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.284 -1.784 15.691 1.00 0.00 H new ATOM 1339 N ARG A 88 12.228 -0.048 16.139 1.00 0.01 N ATOM 1340 CA ARG A 88 13.504 -0.601 15.598 1.00 0.00 C ATOM 1341 C ARG A 88 14.225 -1.380 16.700 1.00 0.00 C ATOM 1342 O ARG A 88 14.716 -2.469 16.480 1.00 0.01 O ATOM 1343 CB ARG A 88 14.394 0.540 15.096 1.00 0.00 C ATOM 1344 CG ARG A 88 13.778 1.144 13.832 1.00 0.00 C ATOM 1345 CD ARG A 88 14.733 2.174 13.228 1.00 0.00 C ATOM 1346 NE ARG A 88 14.992 3.265 14.210 1.00 0.01 N ATOM 1347 CZ ARG A 88 15.996 4.077 14.027 1.00 0.00 C ATOM 1348 NH1 ARG A 88 16.772 3.930 12.987 1.00 0.00 N ATOM 1349 NH2 ARG A 88 16.226 5.036 14.882 1.00 0.01 N ATOM 0 H ARG A 88 12.143 0.968 16.110 1.00 0.01 H new ATOM 0 HA ARG A 88 13.287 -1.270 14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.494 1.304 15.867 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.396 0.168 14.884 1.00 0.00 H new ATOM 0 HG2 ARG A 88 13.571 0.357 13.106 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.825 1.615 14.071 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.671 1.693 12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.304 2.589 12.316 1.00 0.00 H new ATOM 0 HE ARG A 88 14.386 3.376 15.023 1.00 0.01 H new ATOM 0 HH11 ARG A 88 16.593 3.181 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.557 4.565 12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.620 5.151 15.694 1.00 0.01 H new ATOM 0 HH22 ARG A 88 17.012 5.670 14.738 1.00 0.01 H new ATOM 1363 N GLU A 89 14.281 -0.840 17.887 1.00 0.01 N ATOM 1364 CA GLU A 89 14.956 -1.567 18.999 1.00 0.01 C ATOM 1365 C GLU A 89 14.255 -2.907 19.230 1.00 0.01 C ATOM 1366 O GLU A 89 14.884 -3.921 19.442 1.00 0.00 O ATOM 1367 CB GLU A 89 14.888 -0.723 20.274 1.00 0.01 C ATOM 1368 CG GLU A 89 15.806 0.491 20.133 1.00 0.01 C ATOM 1369 CD GLU A 89 15.727 1.342 21.403 1.00 0.01 C ATOM 1370 OE1 GLU A 89 14.859 1.074 22.218 1.00 0.01 O ATOM 1371 OE2 GLU A 89 16.532 2.248 21.537 1.00 0.01 O ATOM 0 H GLU A 89 13.890 0.069 18.134 1.00 0.01 H new ATOM 0 HA GLU A 89 15.999 -1.745 18.739 1.00 0.01 H new ATOM 0 HB2 GLU A 89 13.863 -0.398 20.453 1.00 0.01 H new ATOM 0 HB3 GLU A 89 15.188 -1.321 21.135 1.00 0.01 H new ATOM 0 HG2 GLU A 89 16.833 0.166 19.964 1.00 0.01 H new ATOM 0 HG3 GLU A 89 15.512 1.084 19.267 1.00 0.01 H new ATOM 1378 N GLU A 90 12.953 -2.913 19.194 1.00 0.00 N ATOM 1379 CA GLU A 90 12.206 -4.184 19.411 1.00 0.01 C ATOM 1380 C GLU A 90 12.598 -5.214 18.352 1.00 0.01 C ATOM 1381 O GLU A 90 12.752 -6.383 18.643 1.00 0.01 O ATOM 1382 CB GLU A 90 10.703 -3.913 19.339 1.00 0.01 C ATOM 1383 CG GLU A 90 10.276 -3.104 20.566 1.00 0.00 C ATOM 1384 CD GLU A 90 8.799 -2.734 20.446 1.00 0.01 C ATOM 1385 OE1 GLU A 90 8.236 -2.968 19.390 1.00 0.00 O ATOM 1386 OE2 GLU A 90 8.256 -2.220 21.409 1.00 0.01 O ATOM 0 H GLU A 90 12.372 -2.092 19.024 1.00 0.00 H new ATOM 0 HA GLU A 90 12.456 -4.580 20.395 1.00 0.01 H new ATOM 0 HB2 GLU A 90 10.464 -3.366 18.427 1.00 0.01 H new ATOM 0 HB3 GLU A 90 10.154 -4.854 19.300 1.00 0.01 H new ATOM 0 HG2 GLU A 90 10.444 -3.684 21.473 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.882 -2.202 20.648 1.00 0.00 H new ATOM 1393 N THR A 91 12.765 -4.801 17.123 1.00 0.01 N ATOM 1394 CA THR A 91 13.151 -5.786 16.074 1.00 0.01 C ATOM 1395 C THR A 91 14.514 -6.368 16.436 1.00 0.01 C ATOM 1396 O THR A 91 14.747 -7.550 16.305 1.00 0.01 O ATOM 1397 CB THR A 91 13.236 -5.097 14.707 1.00 0.01 C ATOM 1398 OG1 THR A 91 12.119 -4.237 14.541 1.00 0.00 O ATOM 1399 CG2 THR A 91 13.226 -6.157 13.603 1.00 0.01 C ATOM 0 H THR A 91 12.653 -3.839 16.805 1.00 0.01 H new ATOM 0 HA THR A 91 12.403 -6.577 16.020 1.00 0.01 H new ATOM 0 HB THR A 91 14.156 -4.516 14.649 1.00 0.01 H new ATOM 0 HG1 THR A 91 12.173 -3.795 13.668 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.286 -5.669 12.630 1.00 0.01 H new ATOM 0 HG22 THR A 91 14.080 -6.822 13.729 1.00 0.01 H new ATOM 0 HG23 THR A 91 12.304 -6.736 13.662 1.00 0.01 H new ATOM 1407 N SER A 92 15.410 -5.536 16.900 1.00 0.01 N ATOM 1408 CA SER A 92 16.770 -6.018 17.284 1.00 0.01 C ATOM 1409 C SER A 92 16.645 -7.068 18.393 1.00 0.01 C ATOM 1410 O SER A 92 17.362 -8.050 18.421 1.00 0.00 O ATOM 1411 CB SER A 92 17.604 -4.841 17.791 1.00 0.01 C ATOM 1412 OG SER A 92 17.147 -4.462 19.082 1.00 0.01 O ATOM 0 H SER A 92 15.256 -4.536 17.030 1.00 0.01 H new ATOM 0 HA SER A 92 17.257 -6.461 16.415 1.00 0.01 H new ATOM 0 HB2 SER A 92 18.657 -5.118 17.833 1.00 0.01 H new ATOM 0 HB3 SER A 92 17.523 -4.000 17.103 1.00 0.01 H new ATOM 0 HG SER A 92 16.249 -4.077 19.011 1.00 0.01 H new ATOM 1418 N ARG A 93 15.747 -6.857 19.315 1.00 0.01 N ATOM 1419 CA ARG A 93 15.568 -7.826 20.435 1.00 0.01 C ATOM 1420 C ARG A 93 15.055 -9.164 19.900 1.00 0.01 C ATOM 1421 O ARG A 93 15.449 -10.221 20.355 1.00 0.01 O ATOM 1422 CB ARG A 93 14.542 -7.266 21.420 1.00 0.00 C ATOM 1423 CG ARG A 93 15.129 -6.066 22.160 1.00 0.01 C ATOM 1424 CD ARG A 93 14.089 -5.522 23.139 1.00 0.01 C ATOM 1425 NE ARG A 93 13.705 -6.597 24.099 1.00 0.00 N ATOM 1426 CZ ARG A 93 13.057 -6.296 25.190 1.00 0.01 C ATOM 1427 NH1 ARG A 93 12.746 -5.054 25.443 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.716 -7.237 26.026 1.00 0.01 N ATOM 0 H ARG A 93 15.125 -6.049 19.342 1.00 0.01 H new ATOM 0 HA ARG A 93 16.528 -7.979 20.929 1.00 0.01 H new ATOM 0 HB2 ARG A 93 13.639 -6.969 20.887 1.00 0.00 H new ATOM 0 HB3 ARG A 93 14.252 -8.037 22.133 1.00 0.00 H new ATOM 0 HG2 ARG A 93 16.032 -6.360 22.696 1.00 0.01 H new ATOM 0 HG3 ARG A 93 15.418 -5.291 21.450 1.00 0.01 H new ATOM 0 HD2 ARG A 93 14.493 -4.665 23.678 1.00 0.01 H new ATOM 0 HD3 ARG A 93 13.211 -5.172 22.597 1.00 0.01 H new ATOM 0 HE ARG A 93 13.949 -7.568 23.902 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.010 -4.318 24.787 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.239 -4.819 26.296 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.956 -8.208 25.826 1.00 0.01 H new ATOM 0 HH22 ARG A 93 12.209 -7.002 26.879 1.00 0.01 H new ATOM 1442 N ASN A 94 14.158 -9.124 18.958 1.00 0.01 N ATOM 1443 CA ASN A 94 13.584 -10.384 18.404 1.00 0.01 C ATOM 1444 C ASN A 94 14.664 -11.197 17.682 1.00 0.01 C ATOM 1445 O ASN A 94 14.511 -12.382 17.456 1.00 0.01 O ATOM 1446 CB ASN A 94 12.463 -10.034 17.425 1.00 0.01 C ATOM 1447 CG ASN A 94 11.280 -9.439 18.194 1.00 0.01 C ATOM 1448 OD1 ASN A 94 10.690 -8.467 17.768 1.00 0.00 O ATOM 1449 ND2 ASN A 94 10.908 -9.984 19.320 1.00 0.01 N ATOM 0 H ASN A 94 13.793 -8.266 18.543 1.00 0.01 H new ATOM 0 HA ASN A 94 13.189 -10.985 19.223 1.00 0.01 H new ATOM 0 HB2 ASN A 94 12.823 -9.322 16.683 1.00 0.01 H new ATOM 0 HB3 ASN A 94 12.147 -10.926 16.884 1.00 0.01 H new ATOM 0 HD21 ASN A 94 10.123 -9.593 19.841 1.00 0.01 H new ATOM 0 HD22 ASN A 94 11.403 -10.801 19.679 1.00 0.01 H new ATOM 1456 N MET A 95 15.752 -10.579 17.312 1.00 0.01 N ATOM 1457 CA MET A 95 16.830 -11.333 16.604 1.00 0.01 C ATOM 1458 C MET A 95 17.316 -12.460 17.512 1.00 0.01 C ATOM 1459 O MET A 95 17.730 -13.506 17.057 1.00 0.01 O ATOM 1460 CB MET A 95 17.993 -10.392 16.286 1.00 0.01 C ATOM 1461 CG MET A 95 17.449 -9.136 15.610 1.00 0.01 C ATOM 1462 SD MET A 95 16.637 -9.572 14.054 1.00 0.01 S ATOM 1463 CE MET A 95 18.074 -9.372 12.978 1.00 0.01 C ATOM 0 H MET A 95 15.943 -9.589 17.467 1.00 0.01 H new ATOM 0 HA MET A 95 16.443 -11.746 15.672 1.00 0.01 H new ATOM 0 HB2 MET A 95 18.523 -10.127 17.201 1.00 0.01 H new ATOM 0 HB3 MET A 95 18.711 -10.889 15.634 1.00 0.01 H new ATOM 0 HG2 MET A 95 16.742 -8.635 16.271 1.00 0.01 H new ATOM 0 HG3 MET A 95 18.261 -8.434 15.421 1.00 0.01 H new ATOM 0 HE1 MET A 95 17.749 -9.350 11.938 1.00 0.01 H new ATOM 0 HE2 MET A 95 18.582 -8.439 13.220 1.00 0.01 H new ATOM 0 HE3 MET A 95 18.759 -10.207 13.126 1.00 0.01 H new ATOM 1473 N LEU A 96 17.263 -12.248 18.799 1.00 0.01 N ATOM 1474 CA LEU A 96 17.707 -13.300 19.757 1.00 0.01 C ATOM 1475 C LEU A 96 16.737 -14.479 19.663 1.00 0.01 C ATOM 1476 O LEU A 96 17.100 -15.621 19.860 1.00 0.01 O ATOM 1477 CB LEU A 96 17.682 -12.733 21.179 1.00 0.01 C ATOM 1478 CG LEU A 96 18.582 -11.494 21.263 1.00 0.01 C ATOM 1479 CD1 LEU A 96 18.487 -10.901 22.672 1.00 0.01 C ATOM 1480 CD2 LEU A 96 20.040 -11.876 20.960 1.00 0.01 C ATOM 0 H LEU A 96 16.929 -11.386 19.230 1.00 0.01 H new ATOM 0 HA LEU A 96 18.719 -13.626 19.517 1.00 0.01 H new ATOM 0 HB2 LEU A 96 16.661 -12.471 21.458 1.00 0.01 H new ATOM 0 HB3 LEU A 96 18.022 -13.489 21.887 1.00 0.01 H new ATOM 0 HG LEU A 96 18.253 -10.759 20.529 1.00 0.01 H new ATOM 0 HD11 LEU A 96 19.124 -10.019 22.739 1.00 0.01 H new ATOM 0 HD12 LEU A 96 17.455 -10.619 22.879 1.00 0.01 H new ATOM 0 HD13 LEU A 96 18.814 -11.642 23.401 1.00 0.01 H new ATOM 0 HD21 LEU A 96 20.669 -10.988 21.023 1.00 0.01 H new ATOM 0 HD22 LEU A 96 20.381 -12.614 21.686 1.00 0.01 H new ATOM 0 HD23 LEU A 96 20.105 -12.297 19.957 1.00 0.01 H new ATOM 1492 N GLU A 97 15.498 -14.196 19.355 1.00 0.01 N ATOM 1493 CA GLU A 97 14.468 -15.271 19.232 1.00 0.01 C ATOM 1494 C GLU A 97 13.605 -14.968 17.998 1.00 0.01 C ATOM 1495 O GLU A 97 12.497 -14.485 18.119 1.00 0.01 O ATOM 1496 CB GLU A 97 13.581 -15.272 20.480 1.00 0.01 C ATOM 1497 CG GLU A 97 14.440 -15.526 21.721 1.00 0.01 C ATOM 1498 CD GLU A 97 15.064 -16.920 21.637 1.00 0.01 C ATOM 1499 OE1 GLU A 97 14.313 -17.881 21.566 1.00 0.01 O ATOM 1500 OE2 GLU A 97 16.280 -17.006 21.647 1.00 0.01 O ATOM 0 H GLU A 97 15.151 -13.253 19.181 1.00 0.01 H new ATOM 0 HA GLU A 97 14.948 -16.245 19.132 1.00 0.01 H new ATOM 0 HB2 GLU A 97 13.065 -14.316 20.572 1.00 0.01 H new ATOM 0 HB3 GLU A 97 12.814 -16.042 20.393 1.00 0.01 H new ATOM 0 HG2 GLU A 97 15.222 -14.770 21.795 1.00 0.01 H new ATOM 0 HG3 GLU A 97 13.830 -15.443 22.621 1.00 0.01 H new ATOM 1507 N PRO A 98 14.115 -15.230 16.813 1.00 0.01 N ATOM 1508 CA PRO A 98 13.357 -14.947 15.563 1.00 0.01 C ATOM 1509 C PRO A 98 12.032 -15.717 15.504 1.00 0.01 C ATOM 1510 O PRO A 98 12.012 -16.932 15.470 1.00 0.01 O ATOM 1511 CB PRO A 98 14.338 -15.405 14.464 1.00 0.00 C ATOM 1512 CG PRO A 98 15.693 -15.714 15.127 1.00 0.01 C ATOM 1513 CD PRO A 98 15.469 -15.826 16.641 1.00 0.01 C ATOM 0 HA PRO A 98 13.060 -13.902 15.469 1.00 0.01 H new ATOM 0 HB2 PRO A 98 13.953 -16.289 13.955 1.00 0.00 H new ATOM 0 HB3 PRO A 98 14.453 -14.627 13.709 1.00 0.00 H new ATOM 0 HG2 PRO A 98 16.106 -16.643 14.734 1.00 0.01 H new ATOM 0 HG3 PRO A 98 16.413 -14.926 14.906 1.00 0.01 H new ATOM 0 HD2 PRO A 98 15.502 -16.861 16.980 1.00 0.01 H new ATOM 0 HD3 PRO A 98 16.226 -15.281 17.204 1.00 0.01 H new ATOM 1521 N THR A 99 10.930 -15.013 15.497 1.00 0.01 N ATOM 1522 CA THR A 99 9.594 -15.682 15.447 1.00 0.01 C ATOM 1523 C THR A 99 8.719 -15.004 14.395 1.00 0.01 C ATOM 1524 O THR A 99 9.098 -14.020 13.791 1.00 0.01 O ATOM 1525 CB THR A 99 8.913 -15.563 16.811 1.00 0.00 C ATOM 1526 OG1 THR A 99 8.886 -14.199 17.206 1.00 0.01 O ATOM 1527 CG2 THR A 99 9.687 -16.383 17.844 1.00 0.00 C ATOM 0 H THR A 99 10.897 -13.994 15.524 1.00 0.01 H new ATOM 0 HA THR A 99 9.729 -16.733 15.191 1.00 0.01 H new ATOM 0 HB THR A 99 7.893 -15.942 16.744 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.959 -13.923 17.365 1.00 0.01 H new ATOM 0 HG21 THR A 99 9.200 -16.297 18.816 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.705 -17.429 17.539 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.708 -16.008 17.915 1.00 0.00 H new ATOM 1535 N ILE A 100 7.545 -15.525 14.180 1.00 0.00 N ATOM 1536 CA ILE A 100 6.628 -14.922 13.179 1.00 0.01 C ATOM 1537 C ILE A 100 6.114 -13.580 13.713 1.00 0.01 C ATOM 1538 O ILE A 100 5.647 -12.741 12.971 1.00 0.01 O ATOM 1539 CB ILE A 100 5.458 -15.883 12.929 1.00 0.00 C ATOM 1540 CG1 ILE A 100 4.634 -15.402 11.723 1.00 0.01 C ATOM 1541 CG2 ILE A 100 4.561 -15.940 14.168 1.00 0.01 C ATOM 1542 CD1 ILE A 100 5.433 -15.560 10.419 1.00 0.01 C ATOM 0 H ILE A 100 7.180 -16.348 14.659 1.00 0.00 H new ATOM 0 HA ILE A 100 7.153 -14.751 12.239 1.00 0.01 H new ATOM 0 HB ILE A 100 5.854 -16.877 12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.708 -15.973 11.659 1.00 0.01 H new ATOM 0 HG13 ILE A 100 4.356 -14.357 11.860 1.00 0.01 H new ATOM 0 HG21 ILE A 100 3.732 -16.624 13.986 1.00 0.01 H new ATOM 0 HG22 ILE A 100 5.141 -16.292 15.021 1.00 0.01 H new ATOM 0 HG23 ILE A 100 4.171 -14.945 14.381 1.00 0.01 H new ATOM 0 HD11 ILE A 100 4.831 -15.214 9.579 1.00 0.01 H new ATOM 0 HD12 ILE A 100 6.347 -14.969 10.478 1.00 0.01 H new ATOM 0 HD13 ILE A 100 5.689 -16.610 10.274 1.00 0.01 H new ATOM 1554 N THR A 101 6.202 -13.374 15.002 1.00 0.00 N ATOM 1555 CA THR A 101 5.722 -12.090 15.600 1.00 0.01 C ATOM 1556 C THR A 101 6.887 -11.103 15.692 1.00 0.01 C ATOM 1557 O THR A 101 6.740 -9.995 16.171 1.00 0.01 O ATOM 1558 CB THR A 101 5.179 -12.359 17.003 1.00 0.01 C ATOM 1559 OG1 THR A 101 6.236 -12.805 17.841 1.00 0.00 O ATOM 1560 CG2 THR A 101 4.094 -13.433 16.934 1.00 0.01 C ATOM 0 H THR A 101 6.587 -14.042 15.670 1.00 0.00 H new ATOM 0 HA THR A 101 4.935 -11.669 14.974 1.00 0.01 H new ATOM 0 HB THR A 101 4.754 -11.442 17.410 1.00 0.01 H new ATOM 0 HG1 THR A 101 5.889 -12.976 18.742 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.707 -13.624 17.935 1.00 0.01 H new ATOM 0 HG22 THR A 101 3.283 -13.090 16.291 1.00 0.01 H new ATOM 0 HG23 THR A 101 4.517 -14.351 16.527 1.00 0.01 H new ATOM 1568 N CYS A 102 8.042 -11.502 15.245 1.00 0.00 N ATOM 1569 CA CYS A 102 9.225 -10.600 15.308 1.00 0.00 C ATOM 1570 C CYS A 102 8.952 -9.313 14.519 1.00 0.01 C ATOM 1571 O CYS A 102 9.151 -8.222 15.014 1.00 0.01 O ATOM 1572 CB CYS A 102 10.431 -11.323 14.701 1.00 0.00 C ATOM 1573 SG CYS A 102 11.765 -10.141 14.377 1.00 0.01 S ATOM 0 H CYS A 102 8.220 -12.419 14.836 1.00 0.00 H new ATOM 0 HA CYS A 102 9.427 -10.340 16.347 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.780 -12.100 15.382 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.140 -11.818 13.775 1.00 0.00 H new ATOM 0 HG CYS A 102 11.818 -9.884 13.104 1.00 0.01 H new ATOM 1579 N PHE A 103 8.521 -9.433 13.289 1.00 0.00 N ATOM 1580 CA PHE A 103 8.261 -8.216 12.457 1.00 0.01 C ATOM 1581 C PHE A 103 6.774 -7.851 12.461 1.00 0.01 C ATOM 1582 O PHE A 103 6.374 -6.882 11.847 1.00 0.00 O ATOM 1583 CB PHE A 103 8.715 -8.490 11.020 1.00 0.00 C ATOM 1584 CG PHE A 103 10.226 -8.489 10.967 1.00 0.00 C ATOM 1585 CD1 PHE A 103 10.943 -9.579 11.470 1.00 0.01 C ATOM 1586 CD2 PHE A 103 10.909 -7.398 10.415 1.00 0.00 C ATOM 1587 CE1 PHE A 103 12.342 -9.579 11.425 1.00 0.01 C ATOM 1588 CE2 PHE A 103 12.307 -7.397 10.369 1.00 0.01 C ATOM 1589 CZ PHE A 103 13.025 -8.487 10.875 1.00 0.00 C ATOM 0 H PHE A 103 8.337 -10.322 12.823 1.00 0.00 H new ATOM 0 HA PHE A 103 8.818 -7.379 12.879 1.00 0.01 H new ATOM 0 HB2 PHE A 103 8.328 -9.451 10.681 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.315 -7.730 10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 103 10.417 -10.422 11.894 1.00 0.01 H new ATOM 0 HD2 PHE A 103 10.356 -6.557 10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 103 12.895 -10.421 11.814 1.00 0.01 H new ATOM 0 HE2 PHE A 103 12.833 -6.555 9.943 1.00 0.01 H new ATOM 0 HZ PHE A 103 14.104 -8.486 10.841 1.00 0.00 H new ATOM 1599 N ASP A 104 5.943 -8.590 13.146 1.00 0.01 N ATOM 1600 CA ASP A 104 4.499 -8.219 13.156 1.00 0.01 C ATOM 1601 C ASP A 104 4.371 -6.816 13.738 1.00 0.00 C ATOM 1602 O ASP A 104 3.612 -6.000 13.257 1.00 0.01 O ATOM 1603 CB ASP A 104 3.689 -9.209 14.001 1.00 0.01 C ATOM 1604 CG ASP A 104 3.440 -10.497 13.205 1.00 0.01 C ATOM 1605 OD1 ASP A 104 3.721 -10.502 12.017 1.00 0.01 O ATOM 1606 OD2 ASP A 104 2.956 -11.449 13.793 1.00 0.00 O ATOM 0 H ASP A 104 6.194 -9.417 13.688 1.00 0.01 H new ATOM 0 HA ASP A 104 4.108 -8.247 12.139 1.00 0.01 H new ATOM 0 HB2 ASP A 104 4.226 -9.439 14.921 1.00 0.01 H new ATOM 0 HB3 ASP A 104 2.738 -8.761 14.290 1.00 0.01 H new ATOM 1611 N GLU A 105 5.129 -6.517 14.755 1.00 0.00 N ATOM 1612 CA GLU A 105 5.067 -5.156 15.337 1.00 0.00 C ATOM 1613 C GLU A 105 5.623 -4.183 14.304 1.00 0.00 C ATOM 1614 O GLU A 105 5.120 -3.094 14.117 1.00 0.01 O ATOM 1615 CB GLU A 105 5.905 -5.092 16.617 1.00 0.00 C ATOM 1616 CG GLU A 105 5.736 -3.719 17.275 1.00 0.00 C ATOM 1617 CD GLU A 105 4.289 -3.544 17.739 1.00 0.01 C ATOM 1618 OE1 GLU A 105 3.641 -4.549 17.982 1.00 0.00 O ATOM 1619 OE2 GLU A 105 3.852 -2.409 17.839 1.00 0.01 O ATOM 0 H GLU A 105 5.785 -7.156 15.204 1.00 0.00 H new ATOM 0 HA GLU A 105 4.038 -4.899 15.590 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.595 -5.877 17.306 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.955 -5.268 16.385 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.414 -3.626 18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.999 -2.932 16.569 1.00 0.00 H new ATOM 1626 N ALA A 106 6.666 -4.580 13.625 1.00 0.00 N ATOM 1627 CA ALA A 106 7.263 -3.694 12.595 1.00 0.00 C ATOM 1628 C ALA A 106 6.303 -3.593 11.408 1.00 0.00 C ATOM 1629 O ALA A 106 5.921 -2.514 11.006 1.00 0.00 O ATOM 1630 CB ALA A 106 8.598 -4.279 12.127 1.00 0.00 C ATOM 0 H ALA A 106 7.128 -5.482 13.742 1.00 0.00 H new ATOM 0 HA ALA A 106 7.434 -2.703 13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 106 9.036 -3.627 11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.278 -4.358 12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.432 -5.269 11.702 1.00 0.00 H new ATOM 1636 N GLN A 107 5.896 -4.702 10.845 1.00 0.00 N ATOM 1637 CA GLN A 107 4.955 -4.630 9.691 1.00 0.00 C ATOM 1638 C GLN A 107 3.674 -3.929 10.142 1.00 0.00 C ATOM 1639 O GLN A 107 3.128 -3.105 9.436 1.00 0.00 O ATOM 1640 CB GLN A 107 4.618 -6.037 9.183 1.00 0.00 C ATOM 1641 CG GLN A 107 3.703 -5.921 7.957 1.00 0.00 C ATOM 1642 CD GLN A 107 3.378 -7.313 7.412 1.00 0.00 C ATOM 1643 OE1 GLN A 107 2.813 -8.134 8.104 1.00 0.00 O ATOM 1644 NE2 GLN A 107 3.717 -7.610 6.188 1.00 0.00 N ATOM 0 H GLN A 107 6.171 -5.642 11.131 1.00 0.00 H new ATOM 0 HA GLN A 107 5.424 -4.073 8.880 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.531 -6.571 8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.125 -6.612 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 107 2.783 -5.404 8.228 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.189 -5.324 7.185 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.192 -6.918 5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.507 -8.534 5.811 1.00 0.00 H new ATOM 1653 N LYS A 108 3.196 -4.235 11.317 1.00 0.00 N ATOM 1654 CA LYS A 108 1.961 -3.561 11.799 1.00 0.00 C ATOM 1655 C LYS A 108 2.231 -2.063 11.856 1.00 0.00 C ATOM 1656 O LYS A 108 1.395 -1.253 11.504 1.00 0.00 O ATOM 1657 CB LYS A 108 1.602 -4.074 13.198 1.00 0.00 C ATOM 1658 CG LYS A 108 0.333 -3.372 13.695 1.00 0.00 C ATOM 1659 CD LYS A 108 -0.023 -3.885 15.089 1.00 0.01 C ATOM 1660 CE LYS A 108 -1.120 -3.002 15.686 1.00 0.00 C ATOM 1661 NZ LYS A 108 -2.324 -3.043 14.811 1.00 0.00 N ATOM 0 H LYS A 108 3.604 -4.916 11.958 1.00 0.00 H new ATOM 0 HA LYS A 108 1.130 -3.771 11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.446 -5.152 13.172 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.426 -3.888 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.489 -2.293 13.722 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.491 -3.558 13.006 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.363 -4.919 15.033 1.00 0.01 H new ATOM 0 HD3 LYS A 108 0.859 -3.873 15.730 1.00 0.01 H new ATOM 0 HE2 LYS A 108 -1.374 -3.347 16.688 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.763 -1.977 15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.117 -2.570 15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.119 -2.555 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.578 -4.033 14.616 1.00 0.00 H new ATOM 1675 N LYS A 109 3.400 -1.687 12.290 1.00 0.01 N ATOM 1676 CA LYS A 109 3.737 -0.247 12.363 1.00 0.00 C ATOM 1677 C LYS A 109 3.666 0.345 10.951 1.00 0.00 C ATOM 1678 O LYS A 109 3.194 1.445 10.751 1.00 0.00 O ATOM 1679 CB LYS A 109 5.149 -0.083 12.941 1.00 0.00 C ATOM 1680 CG LYS A 109 5.490 1.404 13.134 1.00 0.00 C ATOM 1681 CD LYS A 109 4.659 2.001 14.280 1.00 0.01 C ATOM 1682 CE LYS A 109 5.288 3.323 14.730 1.00 0.00 C ATOM 1683 NZ LYS A 109 5.284 4.283 13.591 1.00 0.01 N ATOM 0 H LYS A 109 4.137 -2.321 12.598 1.00 0.01 H new ATOM 0 HA LYS A 109 3.033 0.276 13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.219 -0.604 13.896 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.876 -0.544 12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.552 1.515 13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.295 1.951 12.212 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.633 2.167 13.952 1.00 0.01 H new ATOM 0 HD3 LYS A 109 4.617 1.302 15.116 1.00 0.01 H new ATOM 0 HE2 LYS A 109 4.731 3.736 15.571 1.00 0.00 H new ATOM 0 HE3 LYS A 109 6.308 3.155 15.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.468 5.243 13.946 1.00 0.01 H new ATOM 0 HZ2 LYS A 109 6.025 4.018 12.911 1.00 0.01 H new ATOM 0 HZ3 LYS A 109 4.357 4.259 13.120 1.00 0.01 H new ATOM 1697 N ILE A 110 4.131 -0.385 9.967 1.00 0.00 N ATOM 1698 CA ILE A 110 4.088 0.135 8.569 1.00 0.00 C ATOM 1699 C ILE A 110 2.628 0.250 8.115 1.00 0.00 C ATOM 1700 O ILE A 110 2.245 1.224 7.502 1.00 0.00 O ATOM 1701 CB ILE A 110 4.849 -0.822 7.642 1.00 0.00 C ATOM 1702 CG1 ILE A 110 6.327 -0.913 8.067 1.00 0.00 C ATOM 1703 CG2 ILE A 110 4.754 -0.332 6.196 1.00 0.00 C ATOM 1704 CD1 ILE A 110 6.992 0.474 8.069 1.00 0.00 C ATOM 0 H ILE A 110 4.537 -1.315 10.073 1.00 0.00 H new ATOM 0 HA ILE A 110 4.556 1.118 8.529 1.00 0.00 H new ATOM 0 HB ILE A 110 4.400 -1.812 7.715 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.396 -1.353 9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.863 -1.575 7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.297 -1.016 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.708 -0.294 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.190 0.664 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.034 0.377 8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.944 0.902 7.068 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.469 1.127 8.768 1.00 0.00 H new ATOM 1716 N PHE A 111 1.802 -0.719 8.419 1.00 0.00 N ATOM 1717 CA PHE A 111 0.370 -0.620 8.007 1.00 0.00 C ATOM 1718 C PHE A 111 -0.240 0.631 8.650 1.00 0.00 C ATOM 1719 O PHE A 111 -0.884 1.429 8.001 1.00 0.00 O ATOM 1720 CB PHE A 111 -0.399 -1.881 8.486 1.00 0.00 C ATOM 1721 CG PHE A 111 -0.635 -2.830 7.328 1.00 0.00 C ATOM 1722 CD1 PHE A 111 0.439 -3.244 6.537 1.00 0.00 C ATOM 1723 CD2 PHE A 111 -1.932 -3.286 7.045 1.00 0.00 C ATOM 1724 CE1 PHE A 111 0.221 -4.113 5.465 1.00 0.00 C ATOM 1725 CE2 PHE A 111 -2.149 -4.155 5.973 1.00 0.00 C ATOM 1726 CZ PHE A 111 -1.074 -4.569 5.182 1.00 0.00 C ATOM 0 H PHE A 111 2.054 -1.566 8.929 1.00 0.00 H new ATOM 0 HA PHE A 111 0.299 -0.552 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.169 -2.386 9.268 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.353 -1.588 8.924 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.437 -2.893 6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.762 -2.965 7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.051 -4.434 4.853 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.147 -4.507 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.241 -5.240 4.353 1.00 0.00 H new ATOM 1736 N ASN A 112 -0.053 0.797 9.924 1.00 0.00 N ATOM 1737 CA ASN A 112 -0.626 1.985 10.604 1.00 0.00 C ATOM 1738 C ASN A 112 0.059 3.261 10.100 1.00 0.00 C ATOM 1739 O ASN A 112 -0.582 4.255 9.832 1.00 0.00 O ATOM 1740 CB ASN A 112 -0.405 1.849 12.109 1.00 0.00 C ATOM 1741 CG ASN A 112 -1.297 0.732 12.653 1.00 0.00 C ATOM 1742 OD1 ASN A 112 -2.382 0.507 12.154 1.00 0.01 O ATOM 1743 ND2 ASN A 112 -0.874 0.008 13.652 1.00 0.00 N ATOM 0 H ASN A 112 0.472 0.162 10.525 1.00 0.00 H new ATOM 0 HA ASN A 112 -1.692 2.048 10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 112 0.642 1.627 12.316 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.636 2.790 12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.454 -0.748 14.015 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.037 0.198 14.070 1.00 0.00 H new ATOM 1750 N LEU A 113 1.358 3.248 9.983 1.00 0.00 N ATOM 1751 CA LEU A 113 2.072 4.474 9.518 1.00 0.00 C ATOM 1752 C LEU A 113 1.610 4.870 8.113 1.00 0.00 C ATOM 1753 O LEU A 113 1.198 5.990 7.884 1.00 0.00 O ATOM 1754 CB LEU A 113 3.580 4.198 9.506 1.00 0.00 C ATOM 1755 CG LEU A 113 4.351 5.438 9.031 1.00 0.00 C ATOM 1756 CD1 LEU A 113 4.080 6.629 9.965 1.00 0.00 C ATOM 1757 CD2 LEU A 113 5.847 5.117 9.027 1.00 0.00 C ATOM 0 H LEU A 113 1.955 2.447 10.188 1.00 0.00 H new ATOM 0 HA LEU A 113 1.847 5.296 10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.912 3.917 10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.796 3.355 8.850 1.00 0.00 H new ATOM 0 HG LEU A 113 4.022 5.705 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.634 7.500 9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.014 6.854 9.967 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.400 6.378 10.976 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.406 5.991 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.164 4.849 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.038 4.283 8.352 1.00 0.00 H new ATOM 1769 N MET A 114 1.675 3.974 7.170 1.00 0.00 N ATOM 1770 CA MET A 114 1.238 4.325 5.790 1.00 0.00 C ATOM 1771 C MET A 114 -0.263 4.619 5.800 1.00 0.00 C ATOM 1772 O MET A 114 -0.739 5.513 5.125 1.00 0.00 O ATOM 1773 CB MET A 114 1.552 3.162 4.833 1.00 0.00 C ATOM 1774 CG MET A 114 0.659 1.955 5.149 1.00 0.00 C ATOM 1775 SD MET A 114 1.521 0.421 4.701 1.00 0.00 S ATOM 1776 CE MET A 114 1.249 0.441 2.908 1.00 0.00 C ATOM 0 H MET A 114 2.010 3.018 7.293 1.00 0.00 H new ATOM 0 HA MET A 114 1.774 5.210 5.446 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.395 3.479 3.802 1.00 0.00 H new ATOM 0 HB3 MET A 114 2.601 2.880 4.924 1.00 0.00 H new ATOM 0 HG2 MET A 114 0.406 1.945 6.209 1.00 0.00 H new ATOM 0 HG3 MET A 114 -0.279 2.030 4.599 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.928 -0.547 2.578 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.479 1.173 2.665 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.177 0.709 2.402 1.00 0.00 H new ATOM 1786 N GLU A 115 -1.018 3.871 6.558 1.00 0.00 N ATOM 1787 CA GLU A 115 -2.488 4.105 6.608 1.00 0.00 C ATOM 1788 C GLU A 115 -2.790 5.482 7.222 1.00 0.00 C ATOM 1789 O GLU A 115 -3.638 6.211 6.757 1.00 0.00 O ATOM 1790 CB GLU A 115 -3.146 3.007 7.454 1.00 0.00 C ATOM 1791 CG GLU A 115 -4.665 3.219 7.498 1.00 0.01 C ATOM 1792 CD GLU A 115 -5.307 2.119 8.344 1.00 0.00 C ATOM 1793 OE1 GLU A 115 -4.611 1.177 8.685 1.00 0.00 O ATOM 1794 OE2 GLU A 115 -6.485 2.238 8.639 1.00 0.01 O ATOM 0 H GLU A 115 -0.680 3.108 7.145 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.888 4.080 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.919 2.027 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.739 3.022 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.895 4.198 7.919 1.00 0.01 H new ATOM 0 HG3 GLU A 115 -5.075 3.202 6.488 1.00 0.01 H new ATOM 1801 N LYS A 116 -2.121 5.842 8.275 1.00 0.01 N ATOM 1802 CA LYS A 116 -2.403 7.164 8.909 1.00 0.00 C ATOM 1803 C LYS A 116 -1.926 8.323 8.027 1.00 0.01 C ATOM 1804 O LYS A 116 -2.524 9.381 8.027 1.00 0.00 O ATOM 1805 CB LYS A 116 -1.716 7.241 10.271 1.00 0.00 C ATOM 1806 CG LYS A 116 -2.415 6.294 11.249 1.00 0.00 C ATOM 1807 CD LYS A 116 -1.728 6.368 12.613 1.00 0.00 C ATOM 1808 CE LYS A 116 -2.431 5.420 13.584 1.00 0.00 C ATOM 1809 NZ LYS A 116 -1.756 5.476 14.911 1.00 0.00 N ATOM 0 H LYS A 116 -1.394 5.286 8.726 1.00 0.01 H new ATOM 0 HA LYS A 116 -3.482 7.254 9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.664 6.971 10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.750 8.262 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.466 6.565 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -2.382 5.273 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.677 6.097 12.519 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.761 7.388 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.480 5.699 13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.408 4.402 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.235 4.831 15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.762 5.190 14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -1.800 6.447 15.282 1.00 0.00 H new ATOM 1823 N ASP A 117 -0.844 8.160 7.308 1.00 0.00 N ATOM 1824 CA ASP A 117 -0.327 9.291 6.467 1.00 0.00 C ATOM 1825 C ASP A 117 -0.676 9.118 4.980 1.00 0.00 C ATOM 1826 O ASP A 117 -0.990 10.080 4.308 1.00 0.00 O ATOM 1827 CB ASP A 117 1.196 9.350 6.616 1.00 0.00 C ATOM 1828 CG ASP A 117 1.553 9.828 8.025 1.00 0.00 C ATOM 1829 OD1 ASP A 117 0.704 10.429 8.661 1.00 0.00 O ATOM 1830 OD2 ASP A 117 2.673 9.587 8.445 1.00 0.00 O ATOM 0 H ASP A 117 -0.297 7.300 7.264 1.00 0.00 H new ATOM 0 HA ASP A 117 -0.798 10.212 6.812 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.628 8.366 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.619 10.026 5.873 1.00 0.00 H new ATOM 1835 N SER A 118 -0.592 7.930 4.439 1.00 0.00 N ATOM 1836 CA SER A 118 -0.890 7.771 2.977 1.00 0.00 C ATOM 1837 C SER A 118 -2.395 7.683 2.690 1.00 0.00 C ATOM 1838 O SER A 118 -2.891 8.362 1.822 1.00 0.01 O ATOM 1839 CB SER A 118 -0.220 6.506 2.441 1.00 0.00 C ATOM 1840 OG SER A 118 -1.008 5.373 2.786 1.00 0.00 O ATOM 0 H SER A 118 -0.335 7.075 4.932 1.00 0.00 H new ATOM 0 HA SER A 118 -0.498 8.658 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.110 6.570 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 118 0.782 6.407 2.858 1.00 0.00 H new ATOM 0 HG SER A 118 -1.148 5.355 3.756 1.00 0.00 H new ATOM 1846 N TYR A 119 -3.119 6.839 3.373 1.00 0.01 N ATOM 1847 CA TYR A 119 -4.584 6.697 3.071 1.00 0.00 C ATOM 1848 C TYR A 119 -5.288 8.060 3.086 1.00 0.01 C ATOM 1849 O TYR A 119 -5.963 8.419 2.142 1.00 0.01 O ATOM 1850 CB TYR A 119 -5.237 5.750 4.108 1.00 0.00 C ATOM 1851 CG TYR A 119 -5.763 4.493 3.448 1.00 0.00 C ATOM 1852 CD1 TYR A 119 -4.941 3.755 2.587 1.00 0.01 C ATOM 1853 CD2 TYR A 119 -7.073 4.066 3.698 1.00 0.01 C ATOM 1854 CE1 TYR A 119 -5.430 2.599 1.977 1.00 0.01 C ATOM 1855 CE2 TYR A 119 -7.558 2.908 3.088 1.00 0.01 C ATOM 1856 CZ TYR A 119 -6.736 2.175 2.228 1.00 0.00 C ATOM 1857 OH TYR A 119 -7.211 1.038 1.619 1.00 0.00 O ATOM 0 H TYR A 119 -2.769 6.243 4.123 1.00 0.01 H new ATOM 0 HA TYR A 119 -4.691 6.275 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -4.506 5.484 4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.053 6.267 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -3.929 4.080 2.395 1.00 0.01 H new ATOM 0 HD2 TYR A 119 -7.708 4.633 4.363 1.00 0.01 H new ATOM 0 HE1 TYR A 119 -4.797 2.032 1.310 1.00 0.01 H new ATOM 0 HE2 TYR A 119 -8.568 2.579 3.281 1.00 0.01 H new ATOM 0 HH TYR A 119 -8.162 1.151 1.413 1.00 0.00 H new ATOM 1867 N ARG A 120 -5.164 8.816 4.138 1.00 0.00 N ATOM 1868 CA ARG A 120 -5.864 10.129 4.162 1.00 0.01 C ATOM 1869 C ARG A 120 -5.346 10.965 2.995 1.00 0.00 C ATOM 1870 O ARG A 120 -6.094 11.635 2.306 1.00 0.00 O ATOM 1871 CB ARG A 120 -5.564 10.845 5.481 1.00 0.00 C ATOM 1872 CG ARG A 120 -6.016 9.980 6.666 1.00 0.01 C ATOM 1873 CD ARG A 120 -7.522 9.699 6.591 1.00 0.00 C ATOM 1874 NE ARG A 120 -8.241 10.913 6.112 1.00 0.01 N ATOM 1875 CZ ARG A 120 -9.476 10.815 5.699 1.00 0.00 C ATOM 1876 NH1 ARG A 120 -10.080 9.658 5.721 1.00 0.00 N ATOM 1877 NH2 ARG A 120 -10.108 11.872 5.268 1.00 0.01 N ATOM 0 H ARG A 120 -4.619 8.588 4.969 1.00 0.00 H new ATOM 0 HA ARG A 120 -6.941 9.986 4.075 1.00 0.01 H new ATOM 0 HB2 ARG A 120 -4.496 11.051 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.076 11.807 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -5.465 9.039 6.666 1.00 0.01 H new ATOM 0 HG3 ARG A 120 -5.782 10.487 7.602 1.00 0.01 H new ATOM 0 HD2 ARG A 120 -7.712 8.864 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.896 9.408 7.573 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.770 11.818 6.107 1.00 0.01 H new ATOM 0 HH11 ARG A 120 -9.587 8.832 6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.045 9.580 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.637 12.777 5.253 1.00 0.01 H new ATOM 0 HH22 ARG A 120 -11.073 11.793 4.946 1.00 0.01 H new ATOM 1891 N ARG A 121 -4.071 10.907 2.755 1.00 0.00 N ATOM 1892 CA ARG A 121 -3.494 11.674 1.625 1.00 0.01 C ATOM 1893 C ARG A 121 -3.950 11.043 0.308 1.00 0.01 C ATOM 1894 O ARG A 121 -4.179 11.725 -0.667 1.00 0.01 O ATOM 1895 CB ARG A 121 -1.965 11.632 1.714 1.00 0.01 C ATOM 1896 CG ARG A 121 -1.486 12.407 2.952 1.00 0.00 C ATOM 1897 CD ARG A 121 -1.488 13.917 2.678 1.00 0.00 C ATOM 1898 NE ARG A 121 -0.797 14.620 3.794 1.00 0.01 N ATOM 1899 CZ ARG A 121 -0.408 15.855 3.641 1.00 0.01 C ATOM 1900 NH1 ARG A 121 -0.615 16.469 2.508 1.00 0.00 N ATOM 1901 NH2 ARG A 121 0.187 16.478 4.622 1.00 0.01 N ATOM 0 H ARG A 121 -3.401 10.359 3.295 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.830 12.710 1.669 1.00 0.01 H new ATOM 0 HB2 ARG A 121 -1.625 10.598 1.769 1.00 0.01 H new ATOM 0 HB3 ARG A 121 -1.529 12.064 0.814 1.00 0.01 H new ATOM 0 HG2 ARG A 121 -2.134 12.185 3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -0.482 12.083 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.986 14.128 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.511 14.280 2.583 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.628 14.137 4.676 1.00 0.01 H new ATOM 0 HH11 ARG A 121 -1.081 15.983 1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.311 17.435 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.347 15.999 5.508 1.00 0.01 H new ATOM 0 HH22 ARG A 121 0.491 17.444 4.503 1.00 0.01 H new ATOM 1915 N PHE A 122 -4.060 9.742 0.270 1.00 0.01 N ATOM 1916 CA PHE A 122 -4.471 9.059 -0.986 1.00 0.01 C ATOM 1917 C PHE A 122 -5.826 9.587 -1.449 1.00 0.01 C ATOM 1918 O PHE A 122 -5.987 9.987 -2.578 1.00 0.01 O ATOM 1919 CB PHE A 122 -4.576 7.540 -0.729 1.00 0.00 C ATOM 1920 CG PHE A 122 -4.130 6.800 -1.956 1.00 0.01 C ATOM 1921 CD1 PHE A 122 -2.784 6.834 -2.292 1.00 0.01 C ATOM 1922 CD2 PHE A 122 -5.044 6.104 -2.754 1.00 0.00 C ATOM 1923 CE1 PHE A 122 -2.333 6.173 -3.429 1.00 0.01 C ATOM 1924 CE2 PHE A 122 -4.596 5.435 -3.898 1.00 0.00 C ATOM 1925 CZ PHE A 122 -3.236 5.470 -4.237 1.00 0.00 C ATOM 0 H PHE A 122 -3.881 9.122 1.060 1.00 0.01 H new ATOM 0 HA PHE A 122 -3.728 9.254 -1.759 1.00 0.01 H new ATOM 0 HB2 PHE A 122 -3.958 7.260 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -5.603 7.271 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.086 7.374 -1.670 1.00 0.01 H new ATOM 0 HD2 PHE A 122 -6.091 6.083 -2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -1.285 6.202 -3.690 1.00 0.01 H new ATOM 0 HE2 PHE A 122 -5.295 4.893 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.885 4.956 -5.120 1.00 0.00 H new ATOM 1935 N LEU A 123 -6.797 9.589 -0.590 1.00 0.00 N ATOM 1936 CA LEU A 123 -8.131 10.089 -1.001 1.00 0.00 C ATOM 1937 C LEU A 123 -7.979 11.541 -1.436 1.00 0.01 C ATOM 1938 O LEU A 123 -8.632 12.003 -2.350 1.00 0.00 O ATOM 1939 CB LEU A 123 -9.095 9.990 0.181 1.00 0.00 C ATOM 1940 CG LEU A 123 -9.211 8.524 0.626 1.00 0.01 C ATOM 1941 CD1 LEU A 123 -10.010 8.448 1.929 1.00 0.00 C ATOM 1942 CD2 LEU A 123 -9.916 7.690 -0.462 1.00 0.01 C ATOM 0 H LEU A 123 -6.727 9.268 0.376 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.528 9.496 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.738 10.605 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.075 10.374 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 123 -8.211 8.122 0.785 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -10.093 7.408 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.501 9.023 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.007 8.859 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.992 6.653 -0.134 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -10.915 8.089 -0.636 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -9.340 7.737 -1.386 1.00 0.01 H new ATOM 1954 N LYS A 124 -7.111 12.263 -0.784 1.00 0.01 N ATOM 1955 CA LYS A 124 -6.895 13.690 -1.148 1.00 0.01 C ATOM 1956 C LYS A 124 -5.790 13.780 -2.208 1.00 0.01 C ATOM 1957 O LYS A 124 -5.434 14.853 -2.657 1.00 0.01 O ATOM 1958 CB LYS A 124 -6.456 14.453 0.101 1.00 0.01 C ATOM 1959 CG LYS A 124 -7.548 14.342 1.164 1.00 0.01 C ATOM 1960 CD LYS A 124 -7.120 15.101 2.420 1.00 0.01 C ATOM 1961 CE LYS A 124 -8.218 14.985 3.478 1.00 0.01 C ATOM 1962 NZ LYS A 124 -7.949 15.947 4.583 1.00 0.01 N ATOM 0 H LYS A 124 -6.539 11.924 -0.011 1.00 0.01 H new ATOM 0 HA LYS A 124 -7.816 14.118 -1.544 1.00 0.01 H new ATOM 0 HB2 LYS A 124 -5.519 14.046 0.481 1.00 0.01 H new ATOM 0 HB3 LYS A 124 -6.273 15.500 -0.143 1.00 0.01 H new ATOM 0 HG2 LYS A 124 -8.484 14.749 0.782 1.00 0.01 H new ATOM 0 HG3 LYS A 124 -7.731 13.295 1.404 1.00 0.01 H new ATOM 0 HD2 LYS A 124 -6.184 14.694 2.804 1.00 0.01 H new ATOM 0 HD3 LYS A 124 -6.938 16.149 2.181 1.00 0.01 H new ATOM 0 HE2 LYS A 124 -9.191 15.191 3.031 1.00 0.01 H new ATOM 0 HE3 LYS A 124 -8.255 13.968 3.868 1.00 0.01 H new ATOM 0 HZ1 LYS A 124 -8.696 15.867 5.302 1.00 0.01 H new ATOM 0 HZ2 LYS A 124 -7.028 15.731 5.015 1.00 0.01 H new ATOM 0 HZ3 LYS A 124 -7.935 16.916 4.204 1.00 0.01 H new ATOM 1976 N SER A 125 -5.238 12.662 -2.609 1.00 0.00 N ATOM 1977 CA SER A 125 -4.150 12.695 -3.633 1.00 0.01 C ATOM 1978 C SER A 125 -4.751 12.884 -5.023 1.00 0.01 C ATOM 1979 O SER A 125 -5.930 12.695 -5.236 1.00 0.01 O ATOM 1980 CB SER A 125 -3.357 11.385 -3.607 1.00 0.01 C ATOM 1981 OG SER A 125 -2.639 11.289 -2.386 1.00 0.01 O ATOM 0 H SER A 125 -5.492 11.733 -2.274 1.00 0.00 H new ATOM 0 HA SER A 125 -3.484 13.526 -3.403 1.00 0.01 H new ATOM 0 HB2 SER A 125 -4.033 10.536 -3.711 1.00 0.01 H new ATOM 0 HB3 SER A 125 -2.667 11.348 -4.450 1.00 0.01 H new ATOM 0 HG SER A 125 -3.040 11.889 -1.723 1.00 0.01 H new ATOM 1987 N ARG A 126 -3.941 13.260 -5.969 1.00 0.01 N ATOM 1988 CA ARG A 126 -4.447 13.469 -7.351 1.00 0.01 C ATOM 1989 C ARG A 126 -4.853 12.120 -7.961 1.00 0.00 C ATOM 1990 O ARG A 126 -5.803 12.028 -8.713 1.00 0.00 O ATOM 1991 CB ARG A 126 -3.339 14.116 -8.208 1.00 0.01 C ATOM 1992 CG ARG A 126 -2.483 15.076 -7.341 1.00 0.01 C ATOM 1993 CD ARG A 126 -1.230 14.350 -6.817 1.00 0.01 C ATOM 1994 NE ARG A 126 -0.774 14.989 -5.550 1.00 0.00 N ATOM 1995 CZ ARG A 126 0.083 14.371 -4.782 1.00 0.01 C ATOM 1996 NH1 ARG A 126 0.532 13.195 -5.125 1.00 0.01 N ATOM 1997 NH2 ARG A 126 0.491 14.927 -3.675 1.00 0.01 N ATOM 0 H ARG A 126 -2.944 13.433 -5.844 1.00 0.01 H new ATOM 0 HA ARG A 126 -5.316 14.126 -7.326 1.00 0.01 H new ATOM 0 HB2 ARG A 126 -2.705 13.342 -8.640 1.00 0.01 H new ATOM 0 HB3 ARG A 126 -3.785 14.664 -9.038 1.00 0.01 H new ATOM 0 HG2 ARG A 126 -2.189 15.944 -7.931 1.00 0.01 H new ATOM 0 HG3 ARG A 126 -3.075 15.445 -6.503 1.00 0.01 H new ATOM 0 HD2 ARG A 126 -1.453 13.297 -6.645 1.00 0.01 H new ATOM 0 HD3 ARG A 126 -0.436 14.390 -7.563 1.00 0.01 H new ATOM 0 HE ARG A 126 -1.130 15.907 -5.283 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.214 12.760 -5.991 1.00 0.01 H new ATOM 0 HH12 ARG A 126 1.201 12.710 -4.527 1.00 0.01 H new ATOM 0 HH21 ARG A 126 0.141 15.847 -3.407 1.00 0.01 H new ATOM 0 HH22 ARG A 126 1.160 14.442 -3.077 1.00 0.01 H new ATOM 2011 N PHE A 127 -4.127 11.079 -7.653 1.00 0.01 N ATOM 2012 CA PHE A 127 -4.451 9.740 -8.226 1.00 0.01 C ATOM 2013 C PHE A 127 -5.865 9.311 -7.821 1.00 0.01 C ATOM 2014 O PHE A 127 -6.659 8.909 -8.647 1.00 0.00 O ATOM 2015 CB PHE A 127 -3.445 8.710 -7.706 1.00 0.01 C ATOM 2016 CG PHE A 127 -2.060 9.067 -8.188 1.00 0.00 C ATOM 2017 CD1 PHE A 127 -1.635 8.663 -9.460 1.00 0.01 C ATOM 2018 CD2 PHE A 127 -1.200 9.804 -7.364 1.00 0.00 C ATOM 2019 CE1 PHE A 127 -0.349 8.995 -9.905 1.00 0.01 C ATOM 2020 CE2 PHE A 127 0.084 10.135 -7.811 1.00 0.00 C ATOM 2021 CZ PHE A 127 0.509 9.731 -9.082 1.00 0.00 C ATOM 0 H PHE A 127 -3.321 11.098 -7.028 1.00 0.01 H new ATOM 0 HA PHE A 127 -4.398 9.801 -9.313 1.00 0.01 H new ATOM 0 HB2 PHE A 127 -3.466 8.684 -6.617 1.00 0.01 H new ATOM 0 HB3 PHE A 127 -3.717 7.713 -8.054 1.00 0.01 H new ATOM 0 HD1 PHE A 127 -2.298 8.096 -10.097 1.00 0.01 H new ATOM 0 HD2 PHE A 127 -1.528 10.117 -6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.020 8.682 -10.885 1.00 0.01 H new ATOM 0 HE2 PHE A 127 0.747 10.702 -7.175 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.500 9.988 -9.427 1.00 0.00 H new ATOM 2031 N TYR A 128 -6.188 9.387 -6.559 1.00 0.01 N ATOM 2032 CA TYR A 128 -7.552 8.976 -6.118 1.00 0.01 C ATOM 2033 C TYR A 128 -8.580 9.973 -6.646 1.00 0.01 C ATOM 2034 O TYR A 128 -9.625 9.607 -7.143 1.00 0.00 O ATOM 2035 CB TYR A 128 -7.607 8.961 -4.592 1.00 0.00 C ATOM 2036 CG TYR A 128 -8.894 8.322 -4.134 1.00 0.01 C ATOM 2037 CD1 TYR A 128 -8.954 6.940 -3.914 1.00 0.01 C ATOM 2038 CD2 TYR A 128 -10.028 9.113 -3.920 1.00 0.00 C ATOM 2039 CE1 TYR A 128 -10.149 6.352 -3.483 1.00 0.01 C ATOM 2040 CE2 TYR A 128 -11.221 8.526 -3.490 1.00 0.01 C ATOM 2041 CZ TYR A 128 -11.283 7.144 -3.271 1.00 0.01 C ATOM 2042 OH TYR A 128 -12.460 6.565 -2.846 1.00 0.01 O ATOM 0 H TYR A 128 -5.570 9.714 -5.817 1.00 0.01 H new ATOM 0 HA TYR A 128 -7.774 7.981 -6.505 1.00 0.01 H new ATOM 0 HB2 TYR A 128 -6.755 8.410 -4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -7.538 9.978 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -8.079 6.328 -4.077 1.00 0.01 H new ATOM 0 HD2 TYR A 128 -9.981 10.179 -4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -10.196 5.286 -3.314 1.00 0.01 H new ATOM 0 HE2 TYR A 128 -12.096 9.138 -3.326 1.00 0.01 H new ATOM 0 HH TYR A 128 -13.148 7.256 -2.747 1.00 0.01 H new ATOM 2052 N LEU A 129 -8.284 11.237 -6.534 1.00 0.01 N ATOM 2053 CA LEU A 129 -9.231 12.275 -7.020 1.00 0.01 C ATOM 2054 C LEU A 129 -9.451 12.102 -8.524 1.00 0.01 C ATOM 2055 O LEU A 129 -10.557 12.215 -9.014 1.00 0.01 O ATOM 2056 CB LEU A 129 -8.638 13.658 -6.742 1.00 0.01 C ATOM 2057 CG LEU A 129 -8.640 13.937 -5.230 1.00 0.01 C ATOM 2058 CD1 LEU A 129 -7.822 15.201 -4.956 1.00 0.01 C ATOM 2059 CD2 LEU A 129 -10.082 14.129 -4.715 1.00 0.01 C ATOM 0 H LEU A 129 -7.422 11.597 -6.124 1.00 0.01 H new ATOM 0 HA LEU A 129 -10.186 12.175 -6.505 1.00 0.01 H new ATOM 0 HB2 LEU A 129 -7.620 13.711 -7.128 1.00 0.01 H new ATOM 0 HB3 LEU A 129 -9.216 14.422 -7.262 1.00 0.01 H new ATOM 0 HG LEU A 129 -8.199 13.087 -4.710 1.00 0.01 H new ATOM 0 HD11 LEU A 129 -7.818 15.407 -3.886 1.00 0.01 H new ATOM 0 HD12 LEU A 129 -6.799 15.054 -5.301 1.00 0.01 H new ATOM 0 HD13 LEU A 129 -8.266 16.044 -5.486 1.00 0.01 H new ATOM 0 HD21 LEU A 129 -10.062 14.325 -3.643 1.00 0.01 H new ATOM 0 HD22 LEU A 129 -10.543 14.972 -5.230 1.00 0.01 H new ATOM 0 HD23 LEU A 129 -10.661 13.226 -4.908 1.00 0.01 H new ATOM 2071 N ASP A 130 -8.412 11.820 -9.262 1.00 0.56 N ATOM 2072 CA ASP A 130 -8.580 11.634 -10.730 1.00 0.91 C ATOM 2073 C ASP A 130 -9.546 10.480 -10.973 1.00 1.05 C ATOM 2074 O ASP A 130 -10.492 10.591 -11.728 1.00 1.91 O ATOM 2075 CB ASP A 130 -7.226 11.305 -11.363 1.00 2.23 C ATOM 2076 CG ASP A 130 -6.331 12.543 -11.324 1.00 3.00 C ATOM 2077 OD1 ASP A 130 -6.865 13.632 -11.184 1.00 3.77 O ATOM 2078 OD2 ASP A 130 -5.127 12.383 -11.433 1.00 3.36 O ATOM 0 H ASP A 130 -7.459 11.711 -8.914 1.00 0.56 H new ATOM 0 HA ASP A 130 -8.973 12.548 -11.175 1.00 0.91 H new ATOM 0 HB2 ASP A 130 -6.752 10.483 -10.826 1.00 2.23 H new ATOM 0 HB3 ASP A 130 -7.364 10.975 -12.393 1.00 2.23 H new ATOM 2083 N LEU A 131 -9.322 9.377 -10.321 1.00 1.16 N ATOM 2084 CA LEU A 131 -10.229 8.215 -10.487 1.00 1.68 C ATOM 2085 C LEU A 131 -11.567 8.547 -9.834 1.00 2.00 C ATOM 2086 O LEU A 131 -12.622 8.221 -10.341 1.00 2.21 O ATOM 2087 CB LEU A 131 -9.626 6.999 -9.786 1.00 2.07 C ATOM 2088 CG LEU A 131 -8.262 6.665 -10.396 1.00 2.94 C ATOM 2089 CD1 LEU A 131 -7.594 5.575 -9.551 1.00 3.87 C ATOM 2090 CD2 LEU A 131 -8.434 6.171 -11.845 1.00 3.54 C ATOM 0 H LEU A 131 -8.545 9.231 -9.677 1.00 1.16 H new ATOM 0 HA LEU A 131 -10.366 7.998 -11.546 1.00 1.68 H new ATOM 0 HB2 LEU A 131 -9.517 7.200 -8.720 1.00 2.07 H new ATOM 0 HB3 LEU A 131 -10.296 6.144 -9.882 1.00 2.07 H new ATOM 0 HG LEU A 131 -7.639 7.559 -10.406 1.00 2.94 H new ATOM 0 HD11 LEU A 131 -6.621 5.329 -9.977 1.00 3.87 H new ATOM 0 HD12 LEU A 131 -7.463 5.935 -8.531 1.00 3.87 H new ATOM 0 HD13 LEU A 131 -8.222 4.684 -9.544 1.00 3.87 H new ATOM 0 HD21 LEU A 131 -7.457 5.937 -12.268 1.00 3.54 H new ATOM 0 HD22 LEU A 131 -9.057 5.277 -11.853 1.00 3.54 H new ATOM 0 HD23 LEU A 131 -8.910 6.950 -12.441 1.00 3.54 H new ATOM 2102 N THR A 132 -11.514 9.195 -8.696 1.00 2.68 N ATOM 2103 CA THR A 132 -12.754 9.569 -7.959 1.00 3.30 C ATOM 2104 C THR A 132 -12.842 11.091 -7.885 1.00 3.72 C ATOM 2105 O THR A 132 -12.460 11.708 -6.911 1.00 3.94 O ATOM 2106 CB THR A 132 -12.689 8.983 -6.539 1.00 3.80 C ATOM 2107 OG1 THR A 132 -11.898 9.824 -5.711 1.00 4.04 O ATOM 2108 CG2 THR A 132 -12.048 7.590 -6.581 1.00 4.63 C ATOM 0 H THR A 132 -10.647 9.484 -8.242 1.00 2.68 H new ATOM 0 HA THR A 132 -13.632 9.177 -8.472 1.00 3.30 H new ATOM 0 HB THR A 132 -13.701 8.912 -6.140 1.00 3.80 H new ATOM 0 HG1 THR A 132 -11.370 9.274 -5.095 1.00 4.04 H new ATOM 0 HG21 THR A 132 -12.004 7.179 -5.572 1.00 4.63 H new ATOM 0 HG22 THR A 132 -12.645 6.934 -7.215 1.00 4.63 H new ATOM 0 HG23 THR A 132 -11.039 7.666 -6.986 1.00 4.63 H new