USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 551 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 33 LYS NZ :NH3+ 146:sc= -0.841 (180deg=-0.769) USER MOD Set 1.2: A 36 ASN : amide:sc= -1.42 K(o=-2.3,f=-4.8) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 153:sc= -0.234 (180deg=0) USER MOD Set 2.2: A 65 GLN : amide:sc= -0.87 K(o=-1.1,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.27) USER MOD Single : A 2 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-0.86) USER MOD Single : A 3 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-0.7) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.027) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 7 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.044) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 31:sc= 0.121 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 109:sc= 1.11! USER MOD Single : A 39 SER OG : rot 180:sc= 0.0084 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.81! C(o=-7.8!,f=-14!) USER MOD Single : A 43 THR OG1 : rot -80:sc= 1.75 USER MOD Single : A 46 THR OG1 : rot -159:sc= -1.69 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.216 F(o=-2.5!,f=-0.22) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.195 -7.561 -10.299 1.00 73.11 N ATOM 2 CA MET A 1 7.936 -7.734 -11.015 1.00 61.30 C ATOM 3 C MET A 1 7.004 -6.552 -10.769 1.00 34.40 C ATOM 4 O MET A 1 6.485 -6.377 -9.666 1.00 33.40 O ATOM 5 CB MET A 1 7.255 -9.035 -10.585 1.00 13.33 C ATOM 6 CG MET A 1 8.182 -10.239 -10.596 1.00 31.13 C ATOM 7 SD MET A 1 7.295 -11.797 -10.786 1.00 35.24 S ATOM 8 CE MET A 1 6.421 -11.882 -9.224 1.00 41.21 C ATOM 0 H1 MET A 1 9.900 -8.229 -10.671 1.00 73.11 H new ATOM 0 H2 MET A 1 9.537 -6.588 -10.429 1.00 73.11 H new ATOM 0 H3 MET A 1 9.046 -7.743 -9.286 1.00 73.11 H new ATOM 0 HA MET A 1 8.157 -7.783 -12.081 1.00 61.30 H new ATOM 0 HB2 MET A 1 6.849 -8.908 -9.581 1.00 13.33 H new ATOM 0 HB3 MET A 1 6.412 -9.230 -11.247 1.00 13.33 H new ATOM 0 HG2 MET A 1 8.900 -10.133 -11.409 1.00 31.13 H new ATOM 0 HG3 MET A 1 8.753 -10.261 -9.668 1.00 31.13 H new ATOM 0 HE1 MET A 1 5.825 -12.794 -9.190 1.00 41.21 H new ATOM 0 HE2 MET A 1 7.140 -11.887 -8.405 1.00 41.21 H new ATOM 0 HE3 MET A 1 5.765 -11.017 -9.126 1.00 41.21 H new ATOM 18 N HIS A 2 6.795 -5.743 -11.803 1.00 22.40 N ATOM 19 CA HIS A 2 5.925 -4.578 -11.698 1.00 55.24 C ATOM 20 C HIS A 2 5.774 -3.889 -13.051 1.00 73.25 C ATOM 21 O HIS A 2 6.470 -4.223 -14.011 1.00 21.24 O ATOM 22 CB HIS A 2 6.479 -3.591 -10.670 1.00 70.50 C ATOM 23 CG HIS A 2 5.628 -3.462 -9.444 1.00 71.44 C ATOM 24 ND1 HIS A 2 5.978 -4.003 -8.225 1.00 14.10 N ATOM 25 CD2 HIS A 2 4.437 -2.848 -9.254 1.00 72.13 C ATOM 26 CE1 HIS A 2 5.038 -3.728 -7.338 1.00 74.33 C ATOM 27 NE2 HIS A 2 4.091 -3.028 -7.937 1.00 45.15 N ATOM 0 H HIS A 2 7.216 -5.873 -12.723 1.00 22.40 H new ATOM 0 HA HIS A 2 4.943 -4.918 -11.371 1.00 55.24 H new ATOM 0 HB2 HIS A 2 7.479 -3.909 -10.376 1.00 70.50 H new ATOM 0 HB3 HIS A 2 6.580 -2.611 -11.137 1.00 70.50 H new ATOM 0 HD2 HIS A 2 3.865 -2.315 -9.999 1.00 72.13 H new ATOM 0 HE1 HIS A 2 5.043 -4.025 -6.300 1.00 74.33 H new ATOM 0 HE2 HIS A 2 3.242 -2.678 -7.494 1.00 45.15 H new ATOM 35 N HIS A 3 4.859 -2.927 -13.122 1.00 3.13 N ATOM 36 CA HIS A 3 4.617 -2.191 -14.358 1.00 20.33 C ATOM 37 C HIS A 3 4.194 -0.756 -14.062 1.00 14.25 C ATOM 38 O HIS A 3 4.087 -0.356 -12.902 1.00 13.13 O ATOM 39 CB HIS A 3 3.542 -2.891 -15.190 1.00 41.01 C ATOM 40 CG HIS A 3 2.254 -3.098 -14.454 1.00 5.24 C ATOM 41 ND1 HIS A 3 2.108 -4.018 -13.437 1.00 43.00 N ATOM 42 CD2 HIS A 3 1.050 -2.496 -14.590 1.00 0.51 C ATOM 43 CE1 HIS A 3 0.869 -3.974 -12.981 1.00 42.02 C ATOM 44 NE2 HIS A 3 0.206 -3.058 -13.664 1.00 4.23 N ATOM 0 H HIS A 3 4.273 -2.639 -12.338 1.00 3.13 H new ATOM 0 HA HIS A 3 5.547 -2.167 -14.926 1.00 20.33 H new ATOM 0 HB2 HIS A 3 3.348 -2.302 -16.087 1.00 41.01 H new ATOM 0 HB3 HIS A 3 3.922 -3.858 -15.520 1.00 41.01 H new ATOM 0 HD2 HIS A 3 0.799 -1.718 -15.296 1.00 0.51 H new ATOM 0 HE1 HIS A 3 0.467 -4.583 -12.185 1.00 42.02 H new ATOM 0 HE2 HIS A 3 -0.773 -2.809 -13.526 1.00 4.23 H new ATOM 52 N HIS A 4 3.954 0.016 -15.117 1.00 65.55 N ATOM 53 CA HIS A 4 3.543 1.407 -14.970 1.00 51.12 C ATOM 54 C HIS A 4 2.826 1.897 -16.225 1.00 1.23 C ATOM 55 O HIS A 4 2.593 1.130 -17.159 1.00 63.41 O ATOM 56 CB HIS A 4 4.756 2.292 -14.683 1.00 41.23 C ATOM 57 CG HIS A 4 4.663 3.035 -13.386 1.00 35.52 C ATOM 58 ND1 HIS A 4 4.208 4.333 -13.293 1.00 5.22 N ATOM 59 CD2 HIS A 4 4.966 2.652 -12.123 1.00 42.43 C ATOM 60 CE1 HIS A 4 4.239 4.718 -12.030 1.00 14.44 C ATOM 61 NE2 HIS A 4 4.694 3.717 -11.299 1.00 62.42 N ATOM 0 H HIS A 4 4.037 -0.299 -16.084 1.00 65.55 H new ATOM 0 HA HIS A 4 2.851 1.469 -14.130 1.00 51.12 H new ATOM 0 HB2 HIS A 4 5.653 1.673 -14.674 1.00 41.23 H new ATOM 0 HB3 HIS A 4 4.872 3.009 -15.495 1.00 41.23 H new ATOM 0 HD2 HIS A 4 5.350 1.689 -11.820 1.00 42.43 H new ATOM 0 HE1 HIS A 4 3.942 5.688 -11.658 1.00 14.44 H new ATOM 0 HE2 HIS A 4 4.823 3.732 -10.287 1.00 62.42 H new ATOM 69 N HIS A 5 2.478 3.180 -16.238 1.00 53.04 N ATOM 70 CA HIS A 5 1.787 3.772 -17.378 1.00 50.54 C ATOM 71 C HIS A 5 2.443 5.088 -17.787 1.00 70.24 C ATOM 72 O HIS A 5 2.889 5.861 -16.939 1.00 52.21 O ATOM 73 CB HIS A 5 0.314 4.006 -17.043 1.00 54.44 C ATOM 74 CG HIS A 5 -0.364 2.808 -16.453 1.00 50.22 C ATOM 75 ND1 HIS A 5 -1.040 2.841 -15.252 1.00 4.54 N ATOM 76 CD2 HIS A 5 -0.469 1.537 -16.907 1.00 51.42 C ATOM 77 CE1 HIS A 5 -1.529 1.643 -14.991 1.00 74.41 C ATOM 78 NE2 HIS A 5 -1.198 0.833 -15.981 1.00 23.15 N ATOM 0 H HIS A 5 2.663 3.829 -15.473 1.00 53.04 H new ATOM 0 HA HIS A 5 1.856 3.076 -18.214 1.00 50.54 H new ATOM 0 HB2 HIS A 5 0.237 4.838 -16.343 1.00 54.44 H new ATOM 0 HB3 HIS A 5 -0.214 4.302 -17.950 1.00 54.44 H new ATOM 0 HD2 HIS A 5 -0.056 1.149 -17.826 1.00 51.42 H new ATOM 0 HE1 HIS A 5 -2.102 1.371 -14.117 1.00 74.41 H new ATOM 0 HE2 HIS A 5 -1.444 -0.155 -16.047 1.00 23.15 H new ATOM 86 N HIS A 6 2.499 5.335 -19.092 1.00 62.13 N ATOM 87 CA HIS A 6 3.101 6.557 -19.614 1.00 22.12 C ATOM 88 C HIS A 6 2.081 7.690 -19.656 1.00 15.21 C ATOM 89 O HIS A 6 1.467 7.949 -20.692 1.00 23.00 O ATOM 90 CB HIS A 6 3.669 6.314 -21.012 1.00 40.25 C ATOM 91 CG HIS A 6 4.697 7.322 -21.425 1.00 1.32 C ATOM 92 ND1 HIS A 6 4.374 8.577 -21.897 1.00 72.33 N ATOM 93 CD2 HIS A 6 6.049 7.256 -21.432 1.00 10.13 C ATOM 94 CE1 HIS A 6 5.482 9.238 -22.179 1.00 23.12 C ATOM 95 NE2 HIS A 6 6.513 8.459 -21.905 1.00 21.14 N ATOM 0 H HIS A 6 2.135 4.705 -19.807 1.00 62.13 H new ATOM 0 HA HIS A 6 3.912 6.847 -18.946 1.00 22.12 H new ATOM 0 HB2 HIS A 6 4.113 5.319 -21.047 1.00 40.25 H new ATOM 0 HB3 HIS A 6 2.852 6.324 -21.734 1.00 40.25 H new ATOM 0 HD2 HIS A 6 6.651 6.414 -21.123 1.00 10.13 H new ATOM 0 HE1 HIS A 6 5.536 10.244 -22.568 1.00 23.12 H new ATOM 0 HE2 HIS A 6 7.494 8.710 -22.025 1.00 21.14 H new ATOM 103 N HIS A 7 1.903 8.362 -18.523 1.00 13.40 N ATOM 104 CA HIS A 7 0.956 9.468 -18.431 1.00 12.13 C ATOM 105 C HIS A 7 1.658 10.749 -17.989 1.00 34.21 C ATOM 106 O HIS A 7 2.724 10.703 -17.378 1.00 4.14 O ATOM 107 CB HIS A 7 -0.168 9.125 -17.452 1.00 63.22 C ATOM 108 CG HIS A 7 -1.010 7.966 -17.890 1.00 0.31 C ATOM 109 ND1 HIS A 7 -1.533 7.042 -17.011 1.00 31.41 N ATOM 110 CD2 HIS A 7 -1.421 7.586 -19.122 1.00 42.03 C ATOM 111 CE1 HIS A 7 -2.228 6.142 -17.684 1.00 22.42 C ATOM 112 NE2 HIS A 7 -2.176 6.450 -18.967 1.00 62.52 N ATOM 0 H HIS A 7 2.402 8.160 -17.656 1.00 13.40 H new ATOM 0 HA HIS A 7 0.529 9.631 -19.420 1.00 12.13 H new ATOM 0 HB2 HIS A 7 0.266 8.901 -16.477 1.00 63.22 H new ATOM 0 HB3 HIS A 7 -0.806 9.999 -17.323 1.00 63.22 H new ATOM 0 HD2 HIS A 7 -1.197 8.084 -20.054 1.00 42.03 H new ATOM 0 HE1 HIS A 7 -2.750 5.298 -17.257 1.00 22.42 H new ATOM 0 HE2 HIS A 7 -2.624 5.929 -19.720 1.00 62.52 H new ATOM 120 N GLU A 8 1.051 11.889 -18.304 1.00 0.14 N ATOM 121 CA GLU A 8 1.620 13.182 -17.940 1.00 34.30 C ATOM 122 C GLU A 8 0.698 13.931 -16.982 1.00 40.53 C ATOM 123 O GLU A 8 0.194 15.008 -17.303 1.00 30.11 O ATOM 124 CB GLU A 8 1.867 14.025 -19.192 1.00 42.42 C ATOM 125 CG GLU A 8 0.644 14.167 -20.082 1.00 52.51 C ATOM 126 CD GLU A 8 0.658 15.449 -20.893 1.00 31.21 C ATOM 127 OE1 GLU A 8 1.467 15.544 -21.839 1.00 74.25 O ATOM 128 OE2 GLU A 8 -0.141 16.357 -20.580 1.00 61.44 O ATOM 0 H GLU A 8 0.167 11.944 -18.810 1.00 0.14 H new ATOM 0 HA GLU A 8 2.571 13.004 -17.437 1.00 34.30 H new ATOM 0 HB2 GLU A 8 2.204 15.017 -18.891 1.00 42.42 H new ATOM 0 HB3 GLU A 8 2.675 13.575 -19.769 1.00 42.42 H new ATOM 0 HG2 GLU A 8 0.591 13.314 -20.759 1.00 52.51 H new ATOM 0 HG3 GLU A 8 -0.254 14.141 -19.465 1.00 52.51 H new ATOM 135 N VAL A 9 0.482 13.354 -15.805 1.00 11.04 N ATOM 136 CA VAL A 9 -0.378 13.967 -14.799 1.00 72.42 C ATOM 137 C VAL A 9 0.365 14.157 -13.482 1.00 65.10 C ATOM 138 O VAL A 9 1.298 13.422 -13.155 1.00 13.10 O ATOM 139 CB VAL A 9 -1.639 13.118 -14.546 1.00 44.05 C ATOM 140 CG1 VAL A 9 -2.877 13.834 -15.064 1.00 61.32 C ATOM 141 CG2 VAL A 9 -1.496 11.748 -15.191 1.00 61.35 C ATOM 0 H VAL A 9 0.891 12.463 -15.524 1.00 11.04 H new ATOM 0 HA VAL A 9 -0.676 14.941 -15.188 1.00 72.42 H new ATOM 0 HB VAL A 9 -1.753 12.978 -13.471 1.00 44.05 H new ATOM 0 HG11 VAL A 9 -3.758 13.220 -14.877 1.00 61.32 H new ATOM 0 HG12 VAL A 9 -2.986 14.790 -14.551 1.00 61.32 H new ATOM 0 HG13 VAL A 9 -2.776 14.006 -16.136 1.00 61.32 H new ATOM 0 HG21 VAL A 9 -2.395 11.161 -15.003 1.00 61.35 H new ATOM 0 HG22 VAL A 9 -1.357 11.865 -16.266 1.00 61.35 H new ATOM 0 HG23 VAL A 9 -0.633 11.235 -14.767 1.00 61.35 H new ATOM 151 N PRO A 10 -0.055 15.167 -12.706 1.00 20.32 N ATOM 152 CA PRO A 10 0.557 15.477 -11.410 1.00 51.13 C ATOM 153 C PRO A 10 0.258 14.414 -10.358 1.00 51.35 C ATOM 154 O PRO A 10 0.760 14.481 -9.237 1.00 32.32 O ATOM 155 CB PRO A 10 -0.089 16.810 -11.023 1.00 33.50 C ATOM 156 CG PRO A 10 -1.393 16.822 -11.744 1.00 1.10 C ATOM 157 CD PRO A 10 -1.160 16.083 -13.033 1.00 35.14 C ATOM 0 HA PRO A 10 1.645 15.517 -11.472 1.00 51.13 H new ATOM 0 HB2 PRO A 10 -0.232 16.882 -9.945 1.00 33.50 H new ATOM 0 HB3 PRO A 10 0.535 17.653 -11.319 1.00 33.50 H new ATOM 0 HG2 PRO A 10 -2.171 16.339 -11.152 1.00 1.10 H new ATOM 0 HG3 PRO A 10 -1.725 17.843 -11.934 1.00 1.10 H new ATOM 0 HD2 PRO A 10 -2.050 15.541 -13.352 1.00 35.14 H new ATOM 0 HD3 PRO A 10 -0.893 16.762 -13.843 1.00 35.14 H new ATOM 165 N GLN A 11 -0.562 13.436 -10.729 1.00 23.21 N ATOM 166 CA GLN A 11 -0.927 12.359 -9.816 1.00 1.21 C ATOM 167 C GLN A 11 -1.464 11.155 -10.582 1.00 35.23 C ATOM 168 O GLN A 11 -0.769 10.153 -10.753 1.00 31.11 O ATOM 169 CB GLN A 11 -1.972 12.847 -8.811 1.00 25.15 C ATOM 170 CG GLN A 11 -1.374 13.338 -7.502 1.00 22.31 C ATOM 171 CD GLN A 11 -1.843 14.731 -7.132 1.00 34.21 C ATOM 172 OE1 GLN A 11 -2.690 14.900 -6.254 1.00 4.44 O ATOM 173 NE2 GLN A 11 -1.295 15.738 -7.802 1.00 33.04 N ATOM 0 H GLN A 11 -0.986 13.367 -11.654 1.00 23.21 H new ATOM 0 HA GLN A 11 -0.030 12.053 -9.277 1.00 1.21 H new ATOM 0 HB2 GLN A 11 -2.549 13.654 -9.262 1.00 25.15 H new ATOM 0 HB3 GLN A 11 -2.669 12.036 -8.601 1.00 25.15 H new ATOM 0 HG2 GLN A 11 -1.640 12.645 -6.703 1.00 22.31 H new ATOM 0 HG3 GLN A 11 -0.287 13.334 -7.579 1.00 22.31 H new ATOM 0 HE21 GLN A 11 -0.597 15.552 -8.522 1.00 33.04 H new ATOM 0 HE22 GLN A 11 -1.572 16.698 -7.597 1.00 33.04 H new ATOM 182 N THR A 12 -2.708 11.259 -11.041 1.00 63.52 N ATOM 183 CA THR A 12 -3.339 10.178 -11.787 1.00 75.24 C ATOM 184 C THR A 12 -4.166 10.720 -12.948 1.00 10.54 C ATOM 185 O THR A 12 -4.183 10.143 -14.035 1.00 32.55 O ATOM 186 CB THR A 12 -4.246 9.324 -10.881 1.00 14.42 C ATOM 187 OG1 THR A 12 -3.481 8.767 -9.807 1.00 4.43 O ATOM 188 CG2 THR A 12 -4.906 8.206 -11.674 1.00 25.13 C ATOM 0 H THR A 12 -3.298 12.081 -10.909 1.00 63.52 H new ATOM 0 HA THR A 12 -2.536 9.553 -12.177 1.00 75.24 H new ATOM 0 HB THR A 12 -5.026 9.968 -10.475 1.00 14.42 H new ATOM 0 HG1 THR A 12 -4.065 8.227 -9.235 1.00 4.43 H new ATOM 0 HG21 THR A 12 -5.541 7.617 -11.013 1.00 25.13 H new ATOM 0 HG22 THR A 12 -5.512 8.635 -12.472 1.00 25.13 H new ATOM 0 HG23 THR A 12 -4.138 7.564 -12.106 1.00 25.13 H new ATOM 196 N PHE A 13 -4.850 11.835 -12.710 1.00 71.23 N ATOM 197 CA PHE A 13 -5.680 12.456 -13.736 1.00 64.23 C ATOM 198 C PHE A 13 -5.979 13.911 -13.387 1.00 31.43 C ATOM 199 O PHE A 13 -6.305 14.230 -12.244 1.00 4.21 O ATOM 200 CB PHE A 13 -6.988 11.680 -13.903 1.00 63.13 C ATOM 201 CG PHE A 13 -7.969 11.913 -12.790 1.00 61.51 C ATOM 202 CD1 PHE A 13 -8.891 12.944 -12.866 1.00 21.13 C ATOM 203 CD2 PHE A 13 -7.969 11.100 -11.668 1.00 3.03 C ATOM 204 CE1 PHE A 13 -9.796 13.160 -11.843 1.00 45.52 C ATOM 205 CE2 PHE A 13 -8.871 11.311 -10.642 1.00 40.54 C ATOM 206 CZ PHE A 13 -9.785 12.344 -10.730 1.00 23.34 C ATOM 0 H PHE A 13 -4.846 12.326 -11.816 1.00 71.23 H new ATOM 0 HA PHE A 13 -5.129 12.432 -14.676 1.00 64.23 H new ATOM 0 HB2 PHE A 13 -7.450 11.962 -14.849 1.00 63.13 H new ATOM 0 HB3 PHE A 13 -6.764 10.615 -13.962 1.00 63.13 H new ATOM 0 HD1 PHE A 13 -8.903 13.586 -13.734 1.00 21.13 H new ATOM 0 HD2 PHE A 13 -7.256 10.292 -11.594 1.00 3.03 H new ATOM 0 HE1 PHE A 13 -10.511 13.966 -11.915 1.00 45.52 H new ATOM 0 HE2 PHE A 13 -8.862 10.670 -9.773 1.00 40.54 H new ATOM 0 HZ PHE A 13 -10.490 12.512 -9.929 1.00 23.34 H new ATOM 216 N GLU A 14 -5.866 14.787 -14.380 1.00 4.23 N ATOM 217 CA GLU A 14 -6.123 16.208 -14.177 1.00 2.04 C ATOM 218 C GLU A 14 -7.277 16.683 -15.055 1.00 31.04 C ATOM 219 O GLU A 14 -7.457 16.206 -16.175 1.00 21.40 O ATOM 220 CB GLU A 14 -4.866 17.025 -14.482 1.00 3.32 C ATOM 221 CG GLU A 14 -4.376 16.877 -15.912 1.00 41.24 C ATOM 222 CD GLU A 14 -4.831 18.015 -16.806 1.00 32.33 C ATOM 223 OE1 GLU A 14 -4.522 19.181 -16.486 1.00 13.45 O ATOM 224 OE2 GLU A 14 -5.497 17.737 -17.826 1.00 4.44 O ATOM 0 H GLU A 14 -5.598 14.538 -15.332 1.00 4.23 H new ATOM 0 HA GLU A 14 -6.399 16.356 -13.133 1.00 2.04 H new ATOM 0 HB2 GLU A 14 -5.070 18.077 -14.284 1.00 3.32 H new ATOM 0 HB3 GLU A 14 -4.071 16.721 -13.801 1.00 3.32 H new ATOM 0 HG2 GLU A 14 -3.287 16.830 -15.916 1.00 41.24 H new ATOM 0 HG3 GLU A 14 -4.737 15.933 -16.320 1.00 41.24 H new ATOM 231 N VAL A 15 -8.057 17.626 -14.537 1.00 15.33 N ATOM 232 CA VAL A 15 -9.194 18.167 -15.272 1.00 73.04 C ATOM 233 C VAL A 15 -8.820 19.459 -15.990 1.00 12.01 C ATOM 234 O VAL A 15 -7.948 20.201 -15.538 1.00 75.33 O ATOM 235 CB VAL A 15 -10.389 18.438 -14.339 1.00 10.40 C ATOM 236 CG1 VAL A 15 -11.626 18.800 -15.146 1.00 74.45 C ATOM 237 CG2 VAL A 15 -10.655 17.233 -13.451 1.00 33.53 C ATOM 0 H VAL A 15 -7.922 18.031 -13.611 1.00 15.33 H new ATOM 0 HA VAL A 15 -9.481 17.416 -16.008 1.00 73.04 H new ATOM 0 HB VAL A 15 -10.143 19.285 -13.699 1.00 10.40 H new ATOM 0 HG11 VAL A 15 -12.460 18.988 -14.469 1.00 74.45 H new ATOM 0 HG12 VAL A 15 -11.427 19.696 -15.734 1.00 74.45 H new ATOM 0 HG13 VAL A 15 -11.879 17.976 -15.813 1.00 74.45 H new ATOM 0 HG21 VAL A 15 -11.503 17.442 -12.798 1.00 33.53 H new ATOM 0 HG22 VAL A 15 -10.880 16.366 -14.072 1.00 33.53 H new ATOM 0 HG23 VAL A 15 -9.773 17.026 -12.845 1.00 33.53 H new ATOM 247 N GLU A 16 -9.486 19.722 -17.110 1.00 72.41 N ATOM 248 CA GLU A 16 -9.223 20.925 -17.890 1.00 63.14 C ATOM 249 C GLU A 16 -9.609 22.177 -17.107 1.00 62.54 C ATOM 250 O GLU A 16 -8.747 22.949 -16.687 1.00 52.13 O ATOM 251 CB GLU A 16 -9.991 20.880 -19.213 1.00 43.30 C ATOM 252 CG GLU A 16 -9.115 21.109 -20.433 1.00 50.44 C ATOM 253 CD GLU A 16 -8.514 22.501 -20.468 1.00 15.34 C ATOM 254 OE1 GLU A 16 -8.785 23.288 -19.536 1.00 65.30 O ATOM 255 OE2 GLU A 16 -7.774 22.804 -21.427 1.00 22.24 O ATOM 0 H GLU A 16 -10.211 19.118 -17.497 1.00 72.41 H new ATOM 0 HA GLU A 16 -8.154 20.964 -18.100 1.00 63.14 H new ATOM 0 HB2 GLU A 16 -10.482 19.911 -19.306 1.00 43.30 H new ATOM 0 HB3 GLU A 16 -10.777 21.635 -19.193 1.00 43.30 H new ATOM 0 HG2 GLU A 16 -8.313 20.371 -20.443 1.00 50.44 H new ATOM 0 HG3 GLU A 16 -9.706 20.950 -21.335 1.00 50.44 H new ATOM 262 N ARG A 17 -10.910 22.370 -16.916 1.00 24.31 N ATOM 263 CA ARG A 17 -11.411 23.528 -16.185 1.00 63.44 C ATOM 264 C ARG A 17 -12.917 23.423 -15.968 1.00 55.24 C ATOM 265 O ARG A 17 -13.594 22.624 -16.617 1.00 2.04 O ATOM 266 CB ARG A 17 -11.082 24.816 -16.942 1.00 23.02 C ATOM 267 CG ARG A 17 -12.171 25.250 -17.908 1.00 55.04 C ATOM 268 CD ARG A 17 -12.410 24.203 -18.985 1.00 51.44 C ATOM 269 NE ARG A 17 -11.347 24.196 -19.987 1.00 1.14 N ATOM 270 CZ ARG A 17 -11.161 25.172 -20.868 1.00 40.23 C ATOM 271 NH1 ARG A 17 -11.963 26.228 -20.872 1.00 43.21 N ATOM 272 NH2 ARG A 17 -10.171 25.093 -21.748 1.00 40.33 N ATOM 0 H ARG A 17 -11.636 21.740 -17.257 1.00 24.31 H new ATOM 0 HA ARG A 17 -10.922 23.552 -15.211 1.00 63.44 H new ATOM 0 HB2 ARG A 17 -10.907 25.616 -16.222 1.00 23.02 H new ATOM 0 HB3 ARG A 17 -10.153 24.675 -17.495 1.00 23.02 H new ATOM 0 HG2 ARG A 17 -13.096 25.427 -17.359 1.00 55.04 H new ATOM 0 HG3 ARG A 17 -11.891 26.195 -18.373 1.00 55.04 H new ATOM 0 HD2 ARG A 17 -12.480 23.218 -18.524 1.00 51.44 H new ATOM 0 HD3 ARG A 17 -13.366 24.396 -19.472 1.00 51.44 H new ATOM 0 HE ARG A 17 -10.713 23.398 -20.011 1.00 1.14 H new ATOM 0 HH11 ARG A 17 -12.725 26.292 -20.197 1.00 43.21 H new ATOM 0 HH12 ARG A 17 -11.818 26.976 -21.550 1.00 43.21 H new ATOM 0 HH21 ARG A 17 -9.552 24.282 -21.748 1.00 40.33 H new ATOM 0 HH22 ARG A 17 -10.029 25.843 -22.424 1.00 40.33 H new ATOM 286 N ILE A 18 -13.436 24.235 -15.053 1.00 62.01 N ATOM 287 CA ILE A 18 -14.862 24.234 -14.752 1.00 21.05 C ATOM 288 C ILE A 18 -15.666 24.843 -15.895 1.00 40.11 C ATOM 289 O ILE A 18 -15.580 26.042 -16.159 1.00 45.43 O ATOM 290 CB ILE A 18 -15.164 25.010 -13.456 1.00 41.21 C ATOM 291 CG1 ILE A 18 -14.307 24.478 -12.305 1.00 41.45 C ATOM 292 CG2 ILE A 18 -16.643 24.911 -13.112 1.00 5.41 C ATOM 293 CD1 ILE A 18 -14.864 23.226 -11.666 1.00 61.20 C ATOM 0 H ILE A 18 -12.890 24.902 -14.507 1.00 62.01 H new ATOM 0 HA ILE A 18 -15.156 23.193 -14.619 1.00 21.05 H new ATOM 0 HB ILE A 18 -14.917 26.060 -13.613 1.00 41.21 H new ATOM 0 HG12 ILE A 18 -13.303 24.271 -12.676 1.00 41.45 H new ATOM 0 HG13 ILE A 18 -14.213 25.253 -11.545 1.00 41.45 H new ATOM 0 HG21 ILE A 18 -16.841 25.464 -12.194 1.00 5.41 H new ATOM 0 HG22 ILE A 18 -17.235 25.333 -13.925 1.00 5.41 H new ATOM 0 HG23 ILE A 18 -16.914 23.865 -12.971 1.00 5.41 H new ATOM 0 HD11 ILE A 18 -14.206 22.906 -10.859 1.00 61.20 H new ATOM 0 HD12 ILE A 18 -15.856 23.433 -11.265 1.00 61.20 H new ATOM 0 HD13 ILE A 18 -14.932 22.436 -12.413 1.00 61.20 H new ATOM 305 N VAL A 19 -16.450 24.009 -16.570 1.00 71.41 N ATOM 306 CA VAL A 19 -17.273 24.465 -17.684 1.00 21.10 C ATOM 307 C VAL A 19 -18.258 25.538 -17.236 1.00 14.24 C ATOM 308 O VAL A 19 -18.294 26.635 -17.794 1.00 74.43 O ATOM 309 CB VAL A 19 -18.054 23.299 -18.319 1.00 50.32 C ATOM 310 CG1 VAL A 19 -18.695 23.736 -19.628 1.00 22.03 C ATOM 311 CG2 VAL A 19 -17.141 22.102 -18.537 1.00 2.34 C ATOM 0 H VAL A 19 -16.533 23.013 -16.365 1.00 71.41 H new ATOM 0 HA VAL A 19 -16.595 24.886 -18.427 1.00 21.10 H new ATOM 0 HB VAL A 19 -18.848 23.001 -17.634 1.00 50.32 H new ATOM 0 HG11 VAL A 19 -19.242 22.899 -20.062 1.00 22.03 H new ATOM 0 HG12 VAL A 19 -19.382 24.561 -19.439 1.00 22.03 H new ATOM 0 HG13 VAL A 19 -17.920 24.062 -20.322 1.00 22.03 H new ATOM 0 HG21 VAL A 19 -17.710 21.288 -18.986 1.00 2.34 H new ATOM 0 HG22 VAL A 19 -16.324 22.384 -19.201 1.00 2.34 H new ATOM 0 HG23 VAL A 19 -16.734 21.776 -17.580 1.00 2.34 H new ATOM 321 N ARG A 20 -19.056 25.215 -16.223 1.00 55.12 N ATOM 322 CA ARG A 20 -20.044 26.152 -15.700 1.00 23.53 C ATOM 323 C ARG A 20 -20.525 25.718 -14.318 1.00 51.01 C ATOM 324 O ARG A 20 -20.001 24.768 -13.736 1.00 14.12 O ATOM 325 CB ARG A 20 -21.233 26.259 -16.656 1.00 32.14 C ATOM 326 CG ARG A 20 -21.923 24.931 -16.921 1.00 31.10 C ATOM 327 CD ARG A 20 -21.548 24.371 -18.284 1.00 54.13 C ATOM 328 NE ARG A 20 -22.712 23.864 -19.006 1.00 70.53 N ATOM 329 CZ ARG A 20 -22.765 23.752 -20.329 1.00 31.12 C ATOM 330 NH1 ARG A 20 -21.726 24.110 -21.070 1.00 24.31 N ATOM 331 NH2 ARG A 20 -23.860 23.281 -20.913 1.00 24.13 N ATOM 0 H ARG A 20 -19.038 24.312 -15.748 1.00 55.12 H new ATOM 0 HA ARG A 20 -19.570 27.130 -15.611 1.00 23.53 H new ATOM 0 HB2 ARG A 20 -21.959 26.960 -16.243 1.00 32.14 H new ATOM 0 HB3 ARG A 20 -20.891 26.676 -17.603 1.00 32.14 H new ATOM 0 HG2 ARG A 20 -21.649 24.216 -16.145 1.00 31.10 H new ATOM 0 HG3 ARG A 20 -23.003 25.064 -16.866 1.00 31.10 H new ATOM 0 HD2 ARG A 20 -21.065 25.149 -18.875 1.00 54.13 H new ATOM 0 HD3 ARG A 20 -20.821 23.568 -18.159 1.00 54.13 H new ATOM 0 HE ARG A 20 -23.529 23.580 -18.465 1.00 70.53 H new ATOM 0 HH11 ARG A 20 -20.883 24.473 -20.625 1.00 24.31 H new ATOM 0 HH12 ARG A 20 -21.770 24.023 -22.085 1.00 24.31 H new ATOM 0 HH21 ARG A 20 -24.662 23.005 -20.346 1.00 24.13 H new ATOM 0 HH22 ARG A 20 -23.900 23.195 -21.929 1.00 24.13 H new ATOM 345 N LYS A 21 -21.526 26.421 -13.799 1.00 3.15 N ATOM 346 CA LYS A 21 -22.079 26.110 -12.486 1.00 74.11 C ATOM 347 C LYS A 21 -23.547 26.519 -12.404 1.00 24.04 C ATOM 348 O LYS A 21 -24.006 27.377 -13.157 1.00 40.33 O ATOM 349 CB LYS A 21 -21.279 26.819 -11.391 1.00 31.40 C ATOM 350 CG LYS A 21 -21.480 28.324 -11.369 1.00 22.05 C ATOM 351 CD LYS A 21 -20.985 28.933 -10.068 1.00 5.24 C ATOM 352 CE LYS A 21 -21.934 30.007 -9.558 1.00 63.10 C ATOM 353 NZ LYS A 21 -21.252 30.958 -8.637 1.00 51.22 N ATOM 0 H LYS A 21 -21.971 27.210 -14.268 1.00 3.15 H new ATOM 0 HA LYS A 21 -22.011 25.032 -12.336 1.00 74.11 H new ATOM 0 HB2 LYS A 21 -21.563 26.409 -10.422 1.00 31.40 H new ATOM 0 HB3 LYS A 21 -20.219 26.604 -11.530 1.00 31.40 H new ATOM 0 HG2 LYS A 21 -20.950 28.775 -12.208 1.00 22.05 H new ATOM 0 HG3 LYS A 21 -22.538 28.553 -11.500 1.00 22.05 H new ATOM 0 HD2 LYS A 21 -20.881 28.151 -9.316 1.00 5.24 H new ATOM 0 HD3 LYS A 21 -19.995 29.363 -10.220 1.00 5.24 H new ATOM 0 HE2 LYS A 21 -22.350 30.555 -10.403 1.00 63.10 H new ATOM 0 HE3 LYS A 21 -22.770 29.537 -9.041 1.00 63.10 H new ATOM 0 HZ1 LYS A 21 -21.734 31.879 -8.670 1.00 51.22 H new ATOM 0 HZ2 LYS A 21 -21.284 30.585 -7.667 1.00 51.22 H new ATOM 0 HZ3 LYS A 21 -20.261 31.075 -8.930 1.00 51.22 H new ATOM 367 N LYS A 22 -24.278 25.900 -11.483 1.00 3.44 N ATOM 368 CA LYS A 22 -25.692 26.202 -11.299 1.00 34.52 C ATOM 369 C LYS A 22 -26.236 25.518 -10.048 1.00 52.32 C ATOM 370 O LYS A 22 -25.816 24.414 -9.701 1.00 11.24 O ATOM 371 CB LYS A 22 -26.493 25.757 -12.525 1.00 30.42 C ATOM 372 CG LYS A 22 -26.678 24.252 -12.617 1.00 61.14 C ATOM 373 CD LYS A 22 -28.120 23.850 -12.356 1.00 3.01 C ATOM 374 CE LYS A 22 -28.817 23.413 -13.635 1.00 32.00 C ATOM 375 NZ LYS A 22 -30.294 23.586 -13.549 1.00 3.05 N ATOM 0 H LYS A 22 -23.914 25.186 -10.852 1.00 3.44 H new ATOM 0 HA LYS A 22 -25.795 27.280 -11.177 1.00 34.52 H new ATOM 0 HB2 LYS A 22 -27.473 26.234 -12.501 1.00 30.42 H new ATOM 0 HB3 LYS A 22 -25.989 26.108 -13.425 1.00 30.42 H new ATOM 0 HG2 LYS A 22 -26.377 23.907 -13.606 1.00 61.14 H new ATOM 0 HG3 LYS A 22 -26.026 23.760 -11.896 1.00 61.14 H new ATOM 0 HD2 LYS A 22 -28.147 23.037 -11.630 1.00 3.01 H new ATOM 0 HD3 LYS A 22 -28.659 24.689 -11.915 1.00 3.01 H new ATOM 0 HE2 LYS A 22 -28.432 23.992 -14.474 1.00 32.00 H new ATOM 0 HE3 LYS A 22 -28.585 22.367 -13.836 1.00 32.00 H new ATOM 0 HZ1 LYS A 22 -30.732 23.277 -14.440 1.00 3.05 H new ATOM 0 HZ2 LYS A 22 -30.665 23.014 -12.764 1.00 3.05 H new ATOM 0 HZ3 LYS A 22 -30.517 24.588 -13.383 1.00 3.05 H new ATOM 389 N ILE A 23 -27.173 26.181 -9.377 1.00 65.34 N ATOM 390 CA ILE A 23 -27.775 25.635 -8.167 1.00 42.23 C ATOM 391 C ILE A 23 -29.235 25.264 -8.400 1.00 33.54 C ATOM 392 O ILE A 23 -29.919 25.872 -9.223 1.00 64.03 O ATOM 393 CB ILE A 23 -27.691 26.633 -6.997 1.00 44.34 C ATOM 394 CG1 ILE A 23 -28.825 27.657 -7.089 1.00 24.53 C ATOM 395 CG2 ILE A 23 -26.339 27.332 -6.993 1.00 61.50 C ATOM 396 CD1 ILE A 23 -30.045 27.280 -6.279 1.00 31.25 C ATOM 0 H ILE A 23 -27.531 27.096 -9.651 1.00 65.34 H new ATOM 0 HA ILE A 23 -27.211 24.738 -7.910 1.00 42.23 H new ATOM 0 HB ILE A 23 -27.797 26.083 -6.062 1.00 44.34 H new ATOM 0 HG12 ILE A 23 -28.458 28.625 -6.749 1.00 24.53 H new ATOM 0 HG13 ILE A 23 -29.114 27.774 -8.133 1.00 24.53 H new ATOM 0 HG21 ILE A 23 -26.295 28.034 -6.160 1.00 61.50 H new ATOM 0 HG22 ILE A 23 -25.547 26.591 -6.885 1.00 61.50 H new ATOM 0 HG23 ILE A 23 -26.206 27.872 -7.930 1.00 61.50 H new ATOM 0 HD11 ILE A 23 -30.808 28.050 -6.391 1.00 31.25 H new ATOM 0 HD12 ILE A 23 -30.437 26.327 -6.634 1.00 31.25 H new ATOM 0 HD13 ILE A 23 -29.771 27.191 -5.228 1.00 31.25 H new ATOM 408 N VAL A 24 -29.709 24.261 -7.666 1.00 51.04 N ATOM 409 CA VAL A 24 -31.090 23.809 -7.790 1.00 1.40 C ATOM 410 C VAL A 24 -31.704 23.538 -6.421 1.00 41.32 C ATOM 411 O VAL A 24 -31.167 22.761 -5.631 1.00 13.11 O ATOM 412 CB VAL A 24 -31.188 22.533 -8.647 1.00 15.24 C ATOM 413 CG1 VAL A 24 -32.430 22.574 -9.524 1.00 72.42 C ATOM 414 CG2 VAL A 24 -29.935 22.360 -9.490 1.00 44.24 C ATOM 0 H VAL A 24 -29.157 23.747 -6.980 1.00 51.04 H new ATOM 0 HA VAL A 24 -31.643 24.610 -8.281 1.00 1.40 H new ATOM 0 HB VAL A 24 -31.271 21.674 -7.981 1.00 15.24 H new ATOM 0 HG11 VAL A 24 -32.483 21.665 -10.123 1.00 72.42 H new ATOM 0 HG12 VAL A 24 -33.317 22.647 -8.895 1.00 72.42 H new ATOM 0 HG13 VAL A 24 -32.381 23.440 -10.184 1.00 72.42 H new ATOM 0 HG21 VAL A 24 -30.022 21.453 -10.089 1.00 44.24 H new ATOM 0 HG22 VAL A 24 -29.818 23.220 -10.149 1.00 44.24 H new ATOM 0 HG23 VAL A 24 -29.065 22.282 -8.837 1.00 44.24 H new ATOM 424 N HIS A 25 -32.833 24.184 -6.147 1.00 30.13 N ATOM 425 CA HIS A 25 -33.522 24.012 -4.873 1.00 21.33 C ATOM 426 C HIS A 25 -32.588 24.315 -3.705 1.00 31.22 C ATOM 427 O HIS A 25 -32.785 23.821 -2.595 1.00 63.45 O ATOM 428 CB HIS A 25 -34.064 22.587 -4.751 1.00 14.44 C ATOM 429 CG HIS A 25 -35.357 22.501 -4.000 1.00 14.23 C ATOM 430 ND1 HIS A 25 -36.089 21.337 -3.891 1.00 43.24 N ATOM 431 CD2 HIS A 25 -36.048 23.443 -3.316 1.00 35.11 C ATOM 432 CE1 HIS A 25 -37.175 21.567 -3.175 1.00 45.10 C ATOM 433 NE2 HIS A 25 -37.174 22.837 -2.813 1.00 42.42 N ATOM 0 H HIS A 25 -33.290 24.831 -6.790 1.00 30.13 H new ATOM 0 HA HIS A 25 -34.355 24.714 -4.841 1.00 21.33 H new ATOM 0 HB2 HIS A 25 -34.205 22.174 -5.750 1.00 14.44 H new ATOM 0 HB3 HIS A 25 -33.321 21.966 -4.251 1.00 14.44 H new ATOM 0 HD2 HIS A 25 -35.767 24.478 -3.189 1.00 35.11 H new ATOM 0 HE1 HIS A 25 -37.935 20.840 -2.928 1.00 45.10 H new ATOM 0 HE2 HIS A 25 -37.892 23.294 -2.251 1.00 42.42 H new ATOM 441 N GLY A 26 -31.570 25.131 -3.963 1.00 74.42 N ATOM 442 CA GLY A 26 -30.621 25.485 -2.924 1.00 71.51 C ATOM 443 C GLY A 26 -29.414 24.568 -2.905 1.00 41.01 C ATOM 444 O GLY A 26 -28.661 24.543 -1.933 1.00 4.02 O ATOM 0 H GLY A 26 -31.386 25.553 -4.873 1.00 74.42 H new ATOM 0 HA2 GLY A 26 -30.290 26.513 -3.073 1.00 71.51 H new ATOM 0 HA3 GLY A 26 -31.118 25.447 -1.954 1.00 71.51 H new ATOM 448 N ASN A 27 -29.230 23.811 -3.982 1.00 52.43 N ATOM 449 CA ASN A 27 -28.107 22.887 -4.084 1.00 61.15 C ATOM 450 C ASN A 27 -27.175 23.287 -5.224 1.00 3.41 C ATOM 451 O ASN A 27 -27.496 23.103 -6.398 1.00 64.44 O ATOM 452 CB ASN A 27 -28.613 21.459 -4.302 1.00 45.41 C ATOM 453 CG ASN A 27 -29.402 20.939 -3.117 1.00 22.54 C ATOM 454 OD1 ASN A 27 -29.040 21.174 -1.964 1.00 4.12 O ATOM 455 ND2 ASN A 27 -30.487 20.226 -3.396 1.00 20.24 N ATOM 0 H ASN A 27 -29.844 23.820 -4.796 1.00 52.43 H new ATOM 0 HA ASN A 27 -27.548 22.929 -3.149 1.00 61.15 H new ATOM 0 HB2 ASN A 27 -29.240 21.431 -5.193 1.00 45.41 H new ATOM 0 HB3 ASN A 27 -27.765 20.800 -4.488 1.00 45.41 H new ATOM 0 HD21 ASN A 27 -31.058 19.849 -2.640 1.00 20.24 H new ATOM 0 HD22 ASN A 27 -30.750 20.056 -4.367 1.00 20.24 H new ATOM 462 N THR A 28 -26.017 23.837 -4.869 1.00 53.10 N ATOM 463 CA THR A 28 -25.038 24.264 -5.860 1.00 53.44 C ATOM 464 C THR A 28 -24.442 23.069 -6.595 1.00 52.12 C ATOM 465 O THR A 28 -24.239 22.006 -6.009 1.00 1.24 O ATOM 466 CB THR A 28 -23.899 25.074 -5.213 1.00 14.34 C ATOM 467 OG1 THR A 28 -24.412 25.862 -4.132 1.00 23.21 O ATOM 468 CG2 THR A 28 -23.231 25.981 -6.235 1.00 22.11 C ATOM 0 H THR A 28 -25.735 23.997 -3.902 1.00 53.10 H new ATOM 0 HA THR A 28 -25.566 24.899 -6.572 1.00 53.44 H new ATOM 0 HB THR A 28 -23.156 24.374 -4.832 1.00 14.34 H new ATOM 0 HG1 THR A 28 -23.682 26.373 -3.724 1.00 23.21 H new ATOM 0 HG21 THR A 28 -22.430 26.543 -5.754 1.00 22.11 H new ATOM 0 HG22 THR A 28 -22.817 25.377 -7.042 1.00 22.11 H new ATOM 0 HG23 THR A 28 -23.967 26.674 -6.642 1.00 22.11 H new ATOM 476 N SER A 29 -24.163 23.250 -7.882 1.00 54.41 N ATOM 477 CA SER A 29 -23.593 22.185 -8.698 1.00 61.01 C ATOM 478 C SER A 29 -22.595 22.748 -9.706 1.00 74.41 C ATOM 479 O SER A 29 -22.913 23.663 -10.466 1.00 21.20 O ATOM 480 CB SER A 29 -24.701 21.425 -9.430 1.00 10.13 C ATOM 481 OG SER A 29 -25.640 20.887 -8.515 1.00 53.40 O ATOM 0 H SER A 29 -24.323 24.125 -8.382 1.00 54.41 H new ATOM 0 HA SER A 29 -23.066 21.497 -8.037 1.00 61.01 H new ATOM 0 HB2 SER A 29 -25.208 22.095 -10.125 1.00 10.13 H new ATOM 0 HB3 SER A 29 -24.265 20.621 -10.023 1.00 10.13 H new ATOM 0 HG SER A 29 -26.339 20.408 -9.007 1.00 53.40 H new ATOM 487 N TYR A 30 -21.388 22.193 -9.706 1.00 52.52 N ATOM 488 CA TYR A 30 -20.342 22.641 -10.618 1.00 71.54 C ATOM 489 C TYR A 30 -20.143 21.639 -11.752 1.00 31.01 C ATOM 490 O TYR A 30 -19.754 20.493 -11.523 1.00 2.02 O ATOM 491 CB TYR A 30 -19.028 22.839 -9.862 1.00 4.40 C ATOM 492 CG TYR A 30 -18.946 24.158 -9.127 1.00 23.05 C ATOM 493 CD1 TYR A 30 -19.947 24.548 -8.246 1.00 2.22 C ATOM 494 CD2 TYR A 30 -17.866 25.013 -9.312 1.00 13.21 C ATOM 495 CE1 TYR A 30 -19.876 25.752 -7.572 1.00 53.34 C ATOM 496 CE2 TYR A 30 -17.787 26.219 -8.642 1.00 23.44 C ATOM 497 CZ TYR A 30 -18.794 26.584 -7.773 1.00 73.15 C ATOM 498 OH TYR A 30 -18.720 27.784 -7.104 1.00 23.55 O ATOM 0 H TYR A 30 -21.110 21.433 -9.085 1.00 52.52 H new ATOM 0 HA TYR A 30 -20.653 23.593 -11.048 1.00 71.54 H new ATOM 0 HB2 TYR A 30 -18.904 22.026 -9.147 1.00 4.40 H new ATOM 0 HB3 TYR A 30 -18.199 22.773 -10.567 1.00 4.40 H new ATOM 0 HD1 TYR A 30 -20.795 23.899 -8.085 1.00 2.22 H new ATOM 0 HD2 TYR A 30 -17.075 24.730 -9.991 1.00 13.21 H new ATOM 0 HE1 TYR A 30 -20.663 26.040 -6.891 1.00 53.34 H new ATOM 0 HE2 TYR A 30 -16.941 26.872 -8.798 1.00 23.44 H new ATOM 0 HH TYR A 30 -19.167 27.702 -6.235 1.00 23.55 H new ATOM 508 N LEU A 31 -20.413 22.080 -12.976 1.00 24.32 N ATOM 509 CA LEU A 31 -20.263 21.224 -14.147 1.00 70.54 C ATOM 510 C LEU A 31 -18.870 21.366 -14.752 1.00 1.31 C ATOM 511 O LEU A 31 -18.548 22.385 -15.363 1.00 53.41 O ATOM 512 CB LEU A 31 -21.324 21.569 -15.194 1.00 65.34 C ATOM 513 CG LEU A 31 -21.388 20.648 -16.413 1.00 62.15 C ATOM 514 CD1 LEU A 31 -21.340 19.190 -15.984 1.00 63.32 C ATOM 515 CD2 LEU A 31 -22.644 20.925 -17.226 1.00 13.52 C ATOM 0 H LEU A 31 -20.737 23.025 -13.183 1.00 24.32 H new ATOM 0 HA LEU A 31 -20.397 20.190 -13.830 1.00 70.54 H new ATOM 0 HB2 LEU A 31 -22.300 21.564 -14.708 1.00 65.34 H new ATOM 0 HB3 LEU A 31 -21.146 22.587 -15.541 1.00 65.34 H new ATOM 0 HG LEU A 31 -20.521 20.849 -17.042 1.00 62.15 H new ATOM 0 HD11 LEU A 31 -21.387 18.550 -16.865 1.00 63.32 H new ATOM 0 HD12 LEU A 31 -20.412 18.999 -15.446 1.00 63.32 H new ATOM 0 HD13 LEU A 31 -22.187 18.974 -15.333 1.00 63.32 H new ATOM 0 HD21 LEU A 31 -22.672 20.260 -18.089 1.00 13.52 H new ATOM 0 HD22 LEU A 31 -23.524 20.753 -16.606 1.00 13.52 H new ATOM 0 HD23 LEU A 31 -22.637 21.961 -17.566 1.00 13.52 H new ATOM 527 N VAL A 32 -18.047 20.337 -14.579 1.00 21.12 N ATOM 528 CA VAL A 32 -16.689 20.346 -15.110 1.00 71.20 C ATOM 529 C VAL A 32 -16.529 19.321 -16.227 1.00 73.12 C ATOM 530 O VAL A 32 -17.189 18.281 -16.230 1.00 44.13 O ATOM 531 CB VAL A 32 -15.653 20.054 -14.008 1.00 74.41 C ATOM 532 CG1 VAL A 32 -15.777 18.616 -13.527 1.00 23.10 C ATOM 533 CG2 VAL A 32 -14.246 20.337 -14.511 1.00 52.24 C ATOM 0 H VAL A 32 -18.297 19.486 -14.075 1.00 21.12 H new ATOM 0 HA VAL A 32 -16.512 21.345 -15.509 1.00 71.20 H new ATOM 0 HB VAL A 32 -15.851 20.713 -13.163 1.00 74.41 H new ATOM 0 HG11 VAL A 32 -15.037 18.428 -12.749 1.00 23.10 H new ATOM 0 HG12 VAL A 32 -16.777 18.452 -13.125 1.00 23.10 H new ATOM 0 HG13 VAL A 32 -15.606 17.937 -14.362 1.00 23.10 H new ATOM 0 HG21 VAL A 32 -13.527 20.125 -13.719 1.00 52.24 H new ATOM 0 HG22 VAL A 32 -14.034 19.704 -15.373 1.00 52.24 H new ATOM 0 HG23 VAL A 32 -14.167 21.385 -14.802 1.00 52.24 H new ATOM 543 N LYS A 33 -15.649 19.621 -17.176 1.00 24.41 N ATOM 544 CA LYS A 33 -15.399 18.725 -18.299 1.00 51.24 C ATOM 545 C LYS A 33 -14.169 17.861 -18.043 1.00 61.52 C ATOM 546 O LYS A 33 -13.652 17.816 -16.927 1.00 45.31 O ATOM 547 CB LYS A 33 -15.211 19.530 -19.587 1.00 63.03 C ATOM 548 CG LYS A 33 -14.043 20.500 -19.533 1.00 53.21 C ATOM 549 CD LYS A 33 -14.202 21.621 -20.547 1.00 61.30 C ATOM 550 CE LYS A 33 -12.920 21.846 -21.334 1.00 71.32 C ATOM 551 NZ LYS A 33 -13.002 23.060 -22.192 1.00 41.20 N ATOM 0 H LYS A 33 -15.097 20.478 -17.190 1.00 24.41 H new ATOM 0 HA LYS A 33 -16.264 18.071 -18.409 1.00 51.24 H new ATOM 0 HB2 LYS A 33 -15.062 18.841 -20.418 1.00 63.03 H new ATOM 0 HB3 LYS A 33 -16.125 20.086 -19.795 1.00 63.03 H new ATOM 0 HG2 LYS A 33 -13.966 20.923 -18.531 1.00 53.21 H new ATOM 0 HG3 LYS A 33 -13.114 19.963 -19.725 1.00 53.21 H new ATOM 0 HD2 LYS A 33 -15.014 21.380 -21.233 1.00 61.30 H new ATOM 0 HD3 LYS A 33 -14.481 22.541 -20.033 1.00 61.30 H new ATOM 0 HE2 LYS A 33 -12.083 21.945 -20.643 1.00 71.32 H new ATOM 0 HE3 LYS A 33 -12.718 20.974 -21.956 1.00 71.32 H new ATOM 0 HZ1 LYS A 33 -12.066 23.510 -22.246 1.00 41.20 H new ATOM 0 HZ2 LYS A 33 -13.312 22.790 -23.147 1.00 41.20 H new ATOM 0 HZ3 LYS A 33 -13.685 23.729 -21.783 1.00 41.20 H new ATOM 565 N TRP A 34 -13.706 17.177 -19.083 1.00 24.40 N ATOM 566 CA TRP A 34 -12.535 16.314 -18.970 1.00 3.31 C ATOM 567 C TRP A 34 -11.581 16.535 -20.139 1.00 74.42 C ATOM 568 O TRP A 34 -11.770 15.977 -21.221 1.00 23.04 O ATOM 569 CB TRP A 34 -12.961 14.846 -18.913 1.00 5.34 C ATOM 570 CG TRP A 34 -14.190 14.616 -18.087 1.00 53.43 C ATOM 571 CD1 TRP A 34 -14.401 15.022 -16.800 1.00 74.14 C ATOM 572 CD2 TRP A 34 -15.377 13.925 -18.492 1.00 51.41 C ATOM 573 NE1 TRP A 34 -15.648 14.625 -16.381 1.00 30.42 N ATOM 574 CE2 TRP A 34 -16.267 13.951 -17.400 1.00 61.13 C ATOM 575 CE3 TRP A 34 -15.776 13.290 -19.671 1.00 23.51 C ATOM 576 CZ2 TRP A 34 -17.528 13.364 -17.455 1.00 32.15 C ATOM 577 CZ3 TRP A 34 -17.028 12.707 -19.723 1.00 3.10 C ATOM 578 CH2 TRP A 34 -17.892 12.748 -18.621 1.00 53.00 C ATOM 0 H TRP A 34 -14.123 17.203 -20.014 1.00 24.40 H new ATOM 0 HA TRP A 34 -12.014 16.569 -18.047 1.00 3.31 H new ATOM 0 HB2 TRP A 34 -13.141 14.488 -19.927 1.00 5.34 H new ATOM 0 HB3 TRP A 34 -12.142 14.253 -18.506 1.00 5.34 H new ATOM 0 HD1 TRP A 34 -13.692 15.574 -16.200 1.00 74.14 H new ATOM 0 HE1 TRP A 34 -16.048 14.803 -15.460 1.00 30.42 H new ATOM 0 HE3 TRP A 34 -15.118 13.255 -20.526 1.00 23.51 H new ATOM 0 HZ2 TRP A 34 -18.196 13.394 -16.607 1.00 32.15 H new ATOM 0 HZ3 TRP A 34 -17.346 12.211 -20.628 1.00 3.10 H new ATOM 0 HH2 TRP A 34 -18.865 12.284 -18.693 1.00 53.00 H new ATOM 589 N LYS A 35 -10.557 17.351 -19.916 1.00 61.31 N ATOM 590 CA LYS A 35 -9.572 17.644 -20.951 1.00 13.02 C ATOM 591 C LYS A 35 -10.248 17.841 -22.304 1.00 44.32 C ATOM 592 O LYS A 35 -9.737 17.400 -23.333 1.00 12.31 O ATOM 593 CB LYS A 35 -8.545 16.513 -21.041 1.00 51.34 C ATOM 594 CG LYS A 35 -9.134 15.192 -21.504 1.00 33.11 C ATOM 595 CD LYS A 35 -8.057 14.250 -22.015 1.00 34.52 C ATOM 596 CE LYS A 35 -8.642 13.170 -22.913 1.00 44.44 C ATOM 597 NZ LYS A 35 -7.973 13.134 -24.243 1.00 65.13 N ATOM 0 H LYS A 35 -10.387 17.822 -19.027 1.00 61.31 H new ATOM 0 HA LYS A 35 -9.062 18.569 -20.682 1.00 13.02 H new ATOM 0 HB2 LYS A 35 -7.751 16.808 -21.728 1.00 51.34 H new ATOM 0 HB3 LYS A 35 -8.085 16.373 -20.063 1.00 51.34 H new ATOM 0 HG2 LYS A 35 -9.668 14.722 -20.679 1.00 33.11 H new ATOM 0 HG3 LYS A 35 -9.863 15.374 -22.293 1.00 33.11 H new ATOM 0 HD2 LYS A 35 -7.308 14.817 -22.567 1.00 34.52 H new ATOM 0 HD3 LYS A 35 -7.547 13.786 -21.171 1.00 34.52 H new ATOM 0 HE2 LYS A 35 -8.539 12.199 -22.428 1.00 44.44 H new ATOM 0 HE3 LYS A 35 -9.709 13.348 -23.048 1.00 44.44 H new ATOM 0 HZ1 LYS A 35 -8.399 12.386 -24.826 1.00 65.13 H new ATOM 0 HZ2 LYS A 35 -8.093 14.052 -24.717 1.00 65.13 H new ATOM 0 HZ3 LYS A 35 -6.959 12.939 -24.117 1.00 65.13 H new ATOM 611 N ASN A 36 -11.397 18.508 -22.295 1.00 74.02 N ATOM 612 CA ASN A 36 -12.142 18.764 -23.523 1.00 2.42 C ATOM 613 C ASN A 36 -12.533 17.457 -24.205 1.00 62.01 C ATOM 614 O ASN A 36 -12.301 17.275 -25.401 1.00 14.14 O ATOM 615 CB ASN A 36 -11.310 19.622 -24.478 1.00 52.54 C ATOM 616 CG ASN A 36 -11.461 21.106 -24.203 1.00 41.10 C ATOM 617 OD1 ASN A 36 -12.454 21.723 -24.590 1.00 22.23 O ATOM 618 ND2 ASN A 36 -10.473 21.686 -23.532 1.00 10.53 N ATOM 0 H ASN A 36 -11.833 18.881 -21.452 1.00 74.02 H new ATOM 0 HA ASN A 36 -13.053 19.302 -23.261 1.00 2.42 H new ATOM 0 HB2 ASN A 36 -10.260 19.344 -24.390 1.00 52.54 H new ATOM 0 HB3 ASN A 36 -11.610 19.413 -25.505 1.00 52.54 H new ATOM 0 HD21 ASN A 36 -10.518 22.682 -23.318 1.00 10.53 H new ATOM 0 HD22 ASN A 36 -9.669 21.135 -23.231 1.00 10.53 H new ATOM 625 N TYR A 37 -13.127 16.550 -23.437 1.00 42.33 N ATOM 626 CA TYR A 37 -13.549 15.259 -23.967 1.00 24.24 C ATOM 627 C TYR A 37 -15.037 15.267 -24.302 1.00 0.23 C ATOM 628 O TYR A 37 -15.462 14.692 -25.304 1.00 15.35 O ATOM 629 CB TYR A 37 -13.248 14.148 -22.959 1.00 5.11 C ATOM 630 CG TYR A 37 -13.852 12.813 -23.331 1.00 12.14 C ATOM 631 CD1 TYR A 37 -15.169 12.510 -23.005 1.00 42.25 C ATOM 632 CD2 TYR A 37 -13.107 11.854 -24.006 1.00 12.32 C ATOM 633 CE1 TYR A 37 -15.726 11.291 -23.342 1.00 45.54 C ATOM 634 CE2 TYR A 37 -13.656 10.634 -24.348 1.00 20.30 C ATOM 635 CZ TYR A 37 -14.965 10.357 -24.014 1.00 33.11 C ATOM 636 OH TYR A 37 -15.515 9.142 -24.352 1.00 32.52 O ATOM 0 H TYR A 37 -13.327 16.685 -22.446 1.00 42.33 H new ATOM 0 HA TYR A 37 -12.990 15.071 -24.884 1.00 24.24 H new ATOM 0 HB2 TYR A 37 -12.168 14.036 -22.867 1.00 5.11 H new ATOM 0 HB3 TYR A 37 -13.622 14.446 -21.980 1.00 5.11 H new ATOM 0 HD1 TYR A 37 -15.767 13.240 -22.479 1.00 42.25 H new ATOM 0 HD2 TYR A 37 -12.081 12.066 -24.268 1.00 12.32 H new ATOM 0 HE1 TYR A 37 -16.751 11.071 -23.081 1.00 45.54 H new ATOM 0 HE2 TYR A 37 -13.063 9.900 -24.874 1.00 20.30 H new ATOM 0 HH TYR A 37 -14.847 8.600 -24.822 1.00 32.52 H new ATOM 646 N SER A 38 -15.824 15.924 -23.455 1.00 44.34 N ATOM 647 CA SER A 38 -17.265 16.006 -23.658 1.00 53.15 C ATOM 648 C SER A 38 -17.822 17.305 -23.084 1.00 41.42 C ATOM 649 O SER A 38 -18.662 17.290 -22.185 1.00 31.33 O ATOM 650 CB SER A 38 -17.962 14.809 -23.009 1.00 61.42 C ATOM 651 OG SER A 38 -17.730 13.622 -23.748 1.00 71.30 O ATOM 0 H SER A 38 -15.487 16.407 -22.622 1.00 44.34 H new ATOM 0 HA SER A 38 -17.457 15.991 -24.731 1.00 53.15 H new ATOM 0 HB2 SER A 38 -17.600 14.683 -21.989 1.00 61.42 H new ATOM 0 HB3 SER A 38 -19.034 14.998 -22.946 1.00 61.42 H new ATOM 0 HG SER A 38 -17.127 13.036 -23.245 1.00 71.30 H new ATOM 657 N SER A 39 -17.347 18.429 -23.611 1.00 42.33 N ATOM 658 CA SER A 39 -17.793 19.738 -23.149 1.00 52.55 C ATOM 659 C SER A 39 -19.316 19.831 -23.167 1.00 61.32 C ATOM 660 O SER A 39 -19.907 20.674 -22.492 1.00 61.21 O ATOM 661 CB SER A 39 -17.194 20.842 -24.023 1.00 1.41 C ATOM 662 OG SER A 39 -17.188 20.465 -25.389 1.00 4.12 O ATOM 0 H SER A 39 -16.653 18.459 -24.358 1.00 42.33 H new ATOM 0 HA SER A 39 -17.450 19.870 -22.123 1.00 52.55 H new ATOM 0 HB2 SER A 39 -17.768 21.760 -23.899 1.00 1.41 H new ATOM 0 HB3 SER A 39 -16.176 21.056 -23.697 1.00 1.41 H new ATOM 0 HG SER A 39 -16.802 21.188 -25.926 1.00 4.12 H new ATOM 668 N LYS A 40 -19.946 18.957 -23.945 1.00 51.00 N ATOM 669 CA LYS A 40 -21.400 18.937 -24.052 1.00 32.41 C ATOM 670 C LYS A 40 -22.019 18.141 -22.907 1.00 2.43 C ATOM 671 O LYS A 40 -23.097 18.478 -22.416 1.00 62.42 O ATOM 672 CB LYS A 40 -21.825 18.334 -25.393 1.00 51.41 C ATOM 673 CG LYS A 40 -21.117 17.033 -25.727 1.00 32.31 C ATOM 674 CD LYS A 40 -19.917 17.266 -26.628 1.00 45.14 C ATOM 675 CE LYS A 40 -20.286 17.124 -28.097 1.00 30.41 C ATOM 676 NZ LYS A 40 -19.094 16.840 -28.944 1.00 13.23 N ATOM 0 H LYS A 40 -19.472 18.253 -24.511 1.00 51.00 H new ATOM 0 HA LYS A 40 -21.758 19.965 -23.992 1.00 32.41 H new ATOM 0 HB2 LYS A 40 -22.901 18.159 -25.378 1.00 51.41 H new ATOM 0 HB3 LYS A 40 -21.631 19.057 -26.185 1.00 51.41 H new ATOM 0 HG2 LYS A 40 -20.793 16.548 -24.806 1.00 32.31 H new ATOM 0 HG3 LYS A 40 -21.814 16.354 -26.217 1.00 32.31 H new ATOM 0 HD2 LYS A 40 -19.514 18.262 -26.448 1.00 45.14 H new ATOM 0 HD3 LYS A 40 -19.130 16.554 -26.379 1.00 45.14 H new ATOM 0 HE2 LYS A 40 -21.013 16.320 -28.213 1.00 30.41 H new ATOM 0 HE3 LYS A 40 -20.766 18.040 -28.441 1.00 30.41 H new ATOM 0 HZ1 LYS A 40 -19.388 16.750 -29.938 1.00 13.23 H new ATOM 0 HZ2 LYS A 40 -18.411 17.619 -28.854 1.00 13.23 H new ATOM 0 HZ3 LYS A 40 -18.650 15.952 -28.633 1.00 13.23 H new ATOM 690 N ASP A 41 -21.330 17.087 -22.485 1.00 4.13 N ATOM 691 CA ASP A 41 -21.810 16.245 -21.395 1.00 53.51 C ATOM 692 C ASP A 41 -21.307 16.758 -20.050 1.00 4.25 C ATOM 693 O ASP A 41 -22.071 17.309 -19.259 1.00 11.03 O ATOM 694 CB ASP A 41 -21.362 14.798 -21.604 1.00 3.31 C ATOM 695 CG ASP A 41 -22.021 13.842 -20.630 1.00 71.51 C ATOM 696 OD1 ASP A 41 -22.863 14.297 -19.828 1.00 54.34 O ATOM 697 OD2 ASP A 41 -21.696 12.637 -20.670 1.00 65.24 O ATOM 0 H ASP A 41 -20.437 16.795 -22.881 1.00 4.13 H new ATOM 0 HA ASP A 41 -22.899 16.282 -21.393 1.00 53.51 H new ATOM 0 HB2 ASP A 41 -21.596 14.492 -22.624 1.00 3.31 H new ATOM 0 HB3 ASP A 41 -20.279 14.736 -21.493 1.00 3.31 H new ATOM 702 N ASN A 42 -20.015 16.572 -19.797 1.00 32.32 N ATOM 703 CA ASN A 42 -19.409 17.014 -18.546 1.00 35.10 C ATOM 704 C ASN A 42 -20.107 16.375 -17.348 1.00 45.45 C ATOM 705 O ASN A 42 -21.153 15.741 -17.490 1.00 4.02 O ATOM 706 CB ASN A 42 -19.474 18.539 -18.435 1.00 34.52 C ATOM 707 CG ASN A 42 -18.810 19.233 -19.608 1.00 24.42 C ATOM 708 OD1 ASN A 42 -17.882 18.698 -20.215 1.00 71.24 O ATOM 709 ND2 ASN A 42 -19.282 20.431 -19.931 1.00 72.34 N ATOM 0 H ASN A 42 -19.368 16.118 -20.442 1.00 32.32 H new ATOM 0 HA ASN A 42 -18.365 16.700 -18.546 1.00 35.10 H new ATOM 0 HB2 ASN A 42 -20.516 18.852 -18.374 1.00 34.52 H new ATOM 0 HB3 ASN A 42 -18.992 18.854 -17.510 1.00 34.52 H new ATOM 0 HD21 ASN A 42 -18.874 20.947 -20.711 1.00 72.34 H new ATOM 0 HD22 ASN A 42 -20.053 20.836 -19.400 1.00 72.34 H new ATOM 716 N THR A 43 -19.520 16.548 -16.168 1.00 21.31 N ATOM 717 CA THR A 43 -20.083 15.989 -14.946 1.00 32.54 C ATOM 718 C THR A 43 -20.440 17.088 -13.952 1.00 33.22 C ATOM 719 O THR A 43 -19.671 18.026 -13.747 1.00 45.41 O ATOM 720 CB THR A 43 -19.106 15.004 -14.276 1.00 1.23 C ATOM 721 OG1 THR A 43 -17.799 15.150 -14.842 1.00 61.43 O ATOM 722 CG2 THR A 43 -19.581 13.569 -14.446 1.00 54.33 C ATOM 0 H THR A 43 -18.655 17.071 -16.033 1.00 21.31 H new ATOM 0 HA THR A 43 -20.988 15.453 -15.232 1.00 32.54 H new ATOM 0 HB THR A 43 -19.068 15.233 -13.211 1.00 1.23 H new ATOM 0 HG1 THR A 43 -17.758 14.673 -15.697 1.00 61.43 H new ATOM 0 HG21 THR A 43 -18.875 12.893 -13.965 1.00 54.33 H new ATOM 0 HG22 THR A 43 -20.563 13.454 -13.988 1.00 54.33 H new ATOM 0 HG23 THR A 43 -19.646 13.331 -15.508 1.00 54.33 H new ATOM 730 N TRP A 44 -21.611 16.965 -13.337 1.00 21.13 N ATOM 731 CA TRP A 44 -22.069 17.949 -12.363 1.00 13.12 C ATOM 732 C TRP A 44 -21.702 17.524 -10.945 1.00 54.03 C ATOM 733 O TRP A 44 -22.305 16.607 -10.388 1.00 3.10 O ATOM 734 CB TRP A 44 -23.583 18.142 -12.475 1.00 65.32 C ATOM 735 CG TRP A 44 -24.073 18.182 -13.891 1.00 23.20 C ATOM 736 CD1 TRP A 44 -24.238 19.291 -14.670 1.00 43.30 C ATOM 737 CD2 TRP A 44 -24.463 17.063 -14.695 1.00 1.12 C ATOM 738 NE1 TRP A 44 -24.707 18.930 -15.910 1.00 31.42 N ATOM 739 CE2 TRP A 44 -24.853 17.568 -15.951 1.00 3.24 C ATOM 740 CE3 TRP A 44 -24.519 15.684 -14.477 1.00 21.12 C ATOM 741 CZ2 TRP A 44 -25.293 16.742 -16.981 1.00 61.20 C ATOM 742 CZ3 TRP A 44 -24.956 14.865 -15.500 1.00 53.04 C ATOM 743 CH2 TRP A 44 -25.338 15.395 -16.740 1.00 2.51 C ATOM 0 H TRP A 44 -22.260 16.194 -13.495 1.00 21.13 H new ATOM 0 HA TRP A 44 -21.572 18.895 -12.579 1.00 13.12 H new ATOM 0 HB2 TRP A 44 -24.086 17.332 -11.947 1.00 65.32 H new ATOM 0 HB3 TRP A 44 -23.862 19.070 -11.975 1.00 65.32 H new ATOM 0 HD1 TRP A 44 -24.030 20.304 -14.357 1.00 43.30 H new ATOM 0 HE1 TRP A 44 -24.913 19.572 -16.676 1.00 31.42 H new ATOM 0 HE3 TRP A 44 -24.226 15.266 -13.525 1.00 21.12 H new ATOM 0 HZ2 TRP A 44 -25.589 17.149 -17.937 1.00 61.20 H new ATOM 0 HZ3 TRP A 44 -25.004 13.798 -15.342 1.00 53.04 H new ATOM 0 HH2 TRP A 44 -25.674 14.728 -17.520 1.00 2.51 H new ATOM 754 N GLU A 45 -20.711 18.196 -10.368 1.00 55.40 N ATOM 755 CA GLU A 45 -20.265 17.886 -9.015 1.00 13.01 C ATOM 756 C GLU A 45 -20.608 19.022 -8.055 1.00 73.40 C ATOM 757 O GLU A 45 -20.248 20.176 -8.286 1.00 50.42 O ATOM 758 CB GLU A 45 -18.757 17.627 -8.998 1.00 53.31 C ATOM 759 CG GLU A 45 -18.366 16.272 -9.562 1.00 20.30 C ATOM 760 CD GLU A 45 -17.878 15.314 -8.493 1.00 34.35 C ATOM 761 OE1 GLU A 45 -17.094 15.746 -7.623 1.00 5.34 O ATOM 762 OE2 GLU A 45 -18.281 14.132 -8.525 1.00 41.23 O ATOM 0 H GLU A 45 -20.202 18.958 -10.816 1.00 55.40 H new ATOM 0 HA GLU A 45 -20.785 16.986 -8.686 1.00 13.01 H new ATOM 0 HB2 GLU A 45 -18.256 18.408 -9.571 1.00 53.31 H new ATOM 0 HB3 GLU A 45 -18.395 17.702 -7.972 1.00 53.31 H new ATOM 0 HG2 GLU A 45 -19.224 15.834 -10.073 1.00 20.30 H new ATOM 0 HG3 GLU A 45 -17.584 16.406 -10.309 1.00 20.30 H new ATOM 769 N THR A 46 -21.308 18.686 -6.976 1.00 33.52 N ATOM 770 CA THR A 46 -21.702 19.675 -5.981 1.00 52.44 C ATOM 771 C THR A 46 -20.557 20.634 -5.676 1.00 23.31 C ATOM 772 O THR A 46 -19.386 20.272 -5.791 1.00 52.32 O ATOM 773 CB THR A 46 -22.159 19.005 -4.672 1.00 1.22 C ATOM 774 OG1 THR A 46 -21.570 17.705 -4.556 1.00 34.02 O ATOM 775 CG2 THR A 46 -23.675 18.887 -4.624 1.00 42.44 C ATOM 0 H THR A 46 -21.614 17.735 -6.769 1.00 33.52 H new ATOM 0 HA THR A 46 -22.537 20.233 -6.404 1.00 52.44 H new ATOM 0 HB THR A 46 -21.833 19.627 -3.838 1.00 1.22 H new ATOM 0 HG1 THR A 46 -22.095 17.162 -3.931 1.00 34.02 H new ATOM 0 HG21 THR A 46 -23.973 18.411 -3.690 1.00 42.44 H new ATOM 0 HG22 THR A 46 -24.119 19.881 -4.683 1.00 42.44 H new ATOM 0 HG23 THR A 46 -24.020 18.285 -5.465 1.00 42.44 H new ATOM 783 N GLU A 47 -20.902 21.857 -5.285 1.00 74.53 N ATOM 784 CA GLU A 47 -19.901 22.866 -4.963 1.00 51.53 C ATOM 785 C GLU A 47 -18.992 22.391 -3.834 1.00 21.51 C ATOM 786 O GLU A 47 -17.867 22.869 -3.684 1.00 55.03 O ATOM 787 CB GLU A 47 -20.578 24.180 -4.568 1.00 54.42 C ATOM 788 CG GLU A 47 -19.664 25.136 -3.820 1.00 62.23 C ATOM 789 CD GLU A 47 -20.335 26.458 -3.502 1.00 73.35 C ATOM 790 OE1 GLU A 47 -21.054 26.527 -2.483 1.00 43.42 O ATOM 791 OE2 GLU A 47 -20.143 27.422 -4.272 1.00 71.34 O ATOM 0 H GLU A 47 -21.867 22.172 -5.184 1.00 74.53 H new ATOM 0 HA GLU A 47 -19.291 23.032 -5.851 1.00 51.53 H new ATOM 0 HB2 GLU A 47 -20.947 24.673 -5.467 1.00 54.42 H new ATOM 0 HB3 GLU A 47 -21.446 23.959 -3.946 1.00 54.42 H new ATOM 0 HG2 GLU A 47 -19.336 24.667 -2.892 1.00 62.23 H new ATOM 0 HG3 GLU A 47 -18.771 25.321 -4.417 1.00 62.23 H new ATOM 798 N ASP A 48 -19.487 21.446 -3.042 1.00 15.43 N ATOM 799 CA ASP A 48 -18.721 20.905 -1.926 1.00 22.43 C ATOM 800 C ASP A 48 -18.010 19.616 -2.329 1.00 55.21 C ATOM 801 O ASP A 48 -17.291 19.016 -1.530 1.00 51.04 O ATOM 802 CB ASP A 48 -19.637 20.643 -0.729 1.00 43.40 C ATOM 803 CG ASP A 48 -18.912 20.779 0.595 1.00 3.35 C ATOM 804 OD1 ASP A 48 -17.851 20.141 0.759 1.00 41.42 O ATOM 805 OD2 ASP A 48 -19.406 21.523 1.469 1.00 24.11 O ATOM 0 H ASP A 48 -20.416 21.039 -3.153 1.00 15.43 H new ATOM 0 HA ASP A 48 -17.969 21.642 -1.644 1.00 22.43 H new ATOM 0 HB2 ASP A 48 -20.473 21.342 -0.755 1.00 43.40 H new ATOM 0 HB3 ASP A 48 -20.057 19.640 -0.809 1.00 43.40 H new ATOM 810 N ASP A 49 -18.218 19.197 -3.572 1.00 73.43 N ATOM 811 CA ASP A 49 -17.598 17.979 -4.082 1.00 40.21 C ATOM 812 C ASP A 49 -16.731 18.280 -5.301 1.00 14.21 C ATOM 813 O ASP A 49 -16.016 17.409 -5.796 1.00 70.04 O ATOM 814 CB ASP A 49 -18.669 16.949 -4.444 1.00 63.21 C ATOM 815 CG ASP A 49 -19.437 16.462 -3.231 1.00 71.23 C ATOM 816 OD1 ASP A 49 -19.125 16.915 -2.111 1.00 12.45 O ATOM 817 OD2 ASP A 49 -20.350 15.626 -3.403 1.00 3.53 O ATOM 0 H ASP A 49 -18.811 19.682 -4.245 1.00 73.43 H new ATOM 0 HA ASP A 49 -16.961 17.569 -3.298 1.00 40.21 H new ATOM 0 HB2 ASP A 49 -19.365 17.389 -5.159 1.00 63.21 H new ATOM 0 HB3 ASP A 49 -18.199 16.099 -4.938 1.00 63.21 H new ATOM 822 N ILE A 50 -16.802 19.518 -5.779 1.00 63.24 N ATOM 823 CA ILE A 50 -16.024 19.933 -6.940 1.00 23.01 C ATOM 824 C ILE A 50 -14.753 20.662 -6.518 1.00 24.25 C ATOM 825 O ILE A 50 -13.709 20.533 -7.158 1.00 53.53 O ATOM 826 CB ILE A 50 -16.843 20.849 -7.868 1.00 62.04 C ATOM 827 CG1 ILE A 50 -16.045 21.174 -9.133 1.00 12.51 C ATOM 828 CG2 ILE A 50 -17.236 22.126 -7.140 1.00 71.34 C ATOM 829 CD1 ILE A 50 -16.560 20.472 -10.370 1.00 21.24 C ATOM 0 H ILE A 50 -17.390 20.250 -5.381 1.00 63.24 H new ATOM 0 HA ILE A 50 -15.757 19.026 -7.482 1.00 23.01 H new ATOM 0 HB ILE A 50 -17.754 20.326 -8.160 1.00 62.04 H new ATOM 0 HG12 ILE A 50 -16.068 22.251 -9.300 1.00 12.51 H new ATOM 0 HG13 ILE A 50 -15.002 20.898 -8.976 1.00 12.51 H new ATOM 0 HG21 ILE A 50 -17.814 22.763 -7.809 1.00 71.34 H new ATOM 0 HG22 ILE A 50 -17.838 21.876 -6.266 1.00 71.34 H new ATOM 0 HG23 ILE A 50 -16.337 22.655 -6.822 1.00 71.34 H new ATOM 0 HD11 ILE A 50 -15.947 20.749 -11.228 1.00 21.24 H new ATOM 0 HD12 ILE A 50 -16.512 19.393 -10.223 1.00 21.24 H new ATOM 0 HD13 ILE A 50 -17.593 20.767 -10.552 1.00 21.24 H new ATOM 841 N ARG A 51 -14.847 21.426 -5.434 1.00 73.40 N ATOM 842 CA ARG A 51 -13.705 22.175 -4.925 1.00 62.31 C ATOM 843 C ARG A 51 -12.770 21.267 -4.131 1.00 11.35 C ATOM 844 O ARG A 51 -11.613 21.610 -3.886 1.00 43.22 O ATOM 845 CB ARG A 51 -14.178 23.333 -4.045 1.00 73.01 C ATOM 846 CG ARG A 51 -13.998 23.080 -2.557 1.00 54.51 C ATOM 847 CD ARG A 51 -14.947 22.003 -2.056 1.00 71.32 C ATOM 848 NE ARG A 51 -15.674 22.425 -0.862 1.00 50.32 N ATOM 849 CZ ARG A 51 -15.175 22.351 0.367 1.00 71.03 C ATOM 850 NH1 ARG A 51 -13.954 21.873 0.562 1.00 2.41 N ATOM 851 NH2 ARG A 51 -15.898 22.755 1.403 1.00 11.52 N ATOM 0 H ARG A 51 -15.703 21.542 -4.892 1.00 73.40 H new ATOM 0 HA ARG A 51 -13.157 22.577 -5.777 1.00 62.31 H new ATOM 0 HB2 ARG A 51 -13.631 24.235 -4.320 1.00 73.01 H new ATOM 0 HB3 ARG A 51 -15.232 23.525 -4.247 1.00 73.01 H new ATOM 0 HG2 ARG A 51 -12.969 22.780 -2.360 1.00 54.51 H new ATOM 0 HG3 ARG A 51 -14.172 24.004 -2.006 1.00 54.51 H new ATOM 0 HD2 ARG A 51 -15.658 21.752 -2.843 1.00 71.32 H new ATOM 0 HD3 ARG A 51 -14.383 21.097 -1.835 1.00 71.32 H new ATOM 0 HE ARG A 51 -16.617 22.797 -0.978 1.00 50.32 H new ATOM 0 HH11 ARG A 51 -13.396 21.561 -0.232 1.00 2.41 H new ATOM 0 HH12 ARG A 51 -13.573 21.817 1.507 1.00 2.41 H new ATOM 0 HH21 ARG A 51 -16.838 23.123 1.256 1.00 11.52 H new ATOM 0 HH22 ARG A 51 -15.514 22.698 2.346 1.00 11.52 H new ATOM 865 N THR A 52 -13.280 20.107 -3.729 1.00 10.14 N ATOM 866 CA THR A 52 -12.493 19.151 -2.960 1.00 45.25 C ATOM 867 C THR A 52 -11.721 18.210 -3.879 1.00 15.11 C ATOM 868 O THR A 52 -10.630 17.751 -3.541 1.00 11.53 O ATOM 869 CB THR A 52 -13.383 18.317 -2.020 1.00 3.10 C ATOM 870 OG1 THR A 52 -12.573 17.438 -1.231 1.00 53.00 O ATOM 871 CG2 THR A 52 -14.397 17.506 -2.813 1.00 2.34 C ATOM 0 H THR A 52 -14.235 19.807 -3.923 1.00 10.14 H new ATOM 0 HA THR A 52 -11.789 19.730 -2.362 1.00 45.25 H new ATOM 0 HB THR A 52 -13.922 19.001 -1.364 1.00 3.10 H new ATOM 0 HG1 THR A 52 -13.146 16.912 -0.635 1.00 53.00 H new ATOM 0 HG21 THR A 52 -15.014 16.925 -2.128 1.00 2.34 H new ATOM 0 HG22 THR A 52 -15.031 18.180 -3.390 1.00 2.34 H new ATOM 0 HG23 THR A 52 -13.874 16.831 -3.490 1.00 2.34 H new ATOM 879 N LYS A 53 -12.295 17.926 -5.043 1.00 61.04 N ATOM 880 CA LYS A 53 -11.661 17.041 -6.013 1.00 60.41 C ATOM 881 C LYS A 53 -11.027 17.840 -7.147 1.00 1.33 C ATOM 882 O LYS A 53 -10.008 17.438 -7.708 1.00 44.24 O ATOM 883 CB LYS A 53 -12.685 16.055 -6.581 1.00 11.24 C ATOM 884 CG LYS A 53 -13.584 15.437 -5.524 1.00 73.22 C ATOM 885 CD LYS A 53 -12.776 14.757 -4.432 1.00 64.43 C ATOM 886 CE LYS A 53 -11.998 13.567 -4.974 1.00 3.02 C ATOM 887 NZ LYS A 53 -11.668 12.586 -3.903 1.00 4.31 N ATOM 0 H LYS A 53 -13.199 18.296 -5.338 1.00 61.04 H new ATOM 0 HA LYS A 53 -10.876 16.486 -5.500 1.00 60.41 H new ATOM 0 HB2 LYS A 53 -13.303 16.570 -7.317 1.00 11.24 H new ATOM 0 HB3 LYS A 53 -12.158 15.260 -7.108 1.00 11.24 H new ATOM 0 HG2 LYS A 53 -14.214 16.210 -5.084 1.00 73.22 H new ATOM 0 HG3 LYS A 53 -14.250 14.711 -5.991 1.00 73.22 H new ATOM 0 HD2 LYS A 53 -12.085 15.474 -3.989 1.00 64.43 H new ATOM 0 HD3 LYS A 53 -13.444 14.425 -3.637 1.00 64.43 H new ATOM 0 HE2 LYS A 53 -12.583 13.074 -5.751 1.00 3.02 H new ATOM 0 HE3 LYS A 53 -11.078 13.917 -5.442 1.00 3.02 H new ATOM 0 HZ1 LYS A 53 -11.138 11.790 -4.312 1.00 4.31 H new ATOM 0 HZ2 LYS A 53 -11.089 13.049 -3.174 1.00 4.31 H new ATOM 0 HZ3 LYS A 53 -12.547 12.232 -3.473 1.00 4.31 H new ATOM 901 N TYR A 54 -11.635 18.974 -7.477 1.00 72.10 N ATOM 902 CA TYR A 54 -11.130 19.829 -8.544 1.00 52.43 C ATOM 903 C TYR A 54 -10.928 21.258 -8.048 1.00 72.10 C ATOM 904 O TYR A 54 -11.067 22.216 -8.807 1.00 2.33 O ATOM 905 CB TYR A 54 -12.094 19.822 -9.732 1.00 33.22 C ATOM 906 CG TYR A 54 -12.670 18.457 -10.036 1.00 65.00 C ATOM 907 CD1 TYR A 54 -11.864 17.433 -10.519 1.00 42.51 C ATOM 908 CD2 TYR A 54 -14.019 18.191 -9.839 1.00 71.13 C ATOM 909 CE1 TYR A 54 -12.385 16.185 -10.799 1.00 54.40 C ATOM 910 CE2 TYR A 54 -14.549 16.945 -10.115 1.00 51.21 C ATOM 911 CZ TYR A 54 -13.728 15.946 -10.595 1.00 54.12 C ATOM 912 OH TYR A 54 -14.252 14.704 -10.872 1.00 24.35 O ATOM 0 H TYR A 54 -12.478 19.322 -7.021 1.00 72.10 H new ATOM 0 HA TYR A 54 -10.166 19.435 -8.864 1.00 52.43 H new ATOM 0 HB2 TYR A 54 -12.911 20.515 -9.531 1.00 33.22 H new ATOM 0 HB3 TYR A 54 -11.572 20.192 -10.615 1.00 33.22 H new ATOM 0 HD1 TYR A 54 -10.812 17.616 -10.678 1.00 42.51 H new ATOM 0 HD2 TYR A 54 -14.665 18.971 -9.464 1.00 71.13 H new ATOM 0 HE1 TYR A 54 -11.745 15.401 -11.175 1.00 54.40 H new ATOM 0 HE2 TYR A 54 -15.600 16.755 -9.956 1.00 51.21 H new ATOM 0 HH TYR A 54 -15.212 14.702 -10.673 1.00 24.35 H new ATOM 922 N GLY A 55 -10.599 21.391 -6.767 1.00 4.43 N ATOM 923 CA GLY A 55 -10.382 22.705 -6.190 1.00 1.15 C ATOM 924 C GLY A 55 -9.399 23.535 -6.991 1.00 0.52 C ATOM 925 O GLY A 55 -9.391 24.763 -6.896 1.00 72.13 O ATOM 0 H GLY A 55 -10.479 20.613 -6.119 1.00 4.43 H new ATOM 0 HA2 GLY A 55 -11.334 23.233 -6.129 1.00 1.15 H new ATOM 0 HA3 GLY A 55 -10.013 22.594 -5.170 1.00 1.15 H new ATOM 929 N ASP A 56 -8.567 22.865 -7.780 1.00 40.54 N ATOM 930 CA ASP A 56 -7.574 23.549 -8.601 1.00 54.42 C ATOM 931 C ASP A 56 -8.246 24.509 -9.579 1.00 62.31 C ATOM 932 O ASP A 56 -7.918 25.695 -9.626 1.00 3.13 O ATOM 933 CB ASP A 56 -6.726 22.533 -9.366 1.00 61.44 C ATOM 934 CG ASP A 56 -5.240 22.736 -9.146 1.00 22.01 C ATOM 935 OD1 ASP A 56 -4.710 23.773 -9.596 1.00 13.44 O ATOM 936 OD2 ASP A 56 -4.606 21.857 -8.524 1.00 51.23 O ATOM 0 H ASP A 56 -8.560 21.849 -7.869 1.00 40.54 H new ATOM 0 HA ASP A 56 -6.927 24.126 -7.940 1.00 54.42 H new ATOM 0 HB2 ASP A 56 -7.002 21.526 -9.054 1.00 61.44 H new ATOM 0 HB3 ASP A 56 -6.946 22.609 -10.431 1.00 61.44 H new ATOM 941 N LEU A 57 -9.186 23.988 -10.359 1.00 71.35 N ATOM 942 CA LEU A 57 -9.904 24.798 -11.338 1.00 24.50 C ATOM 943 C LEU A 57 -11.056 25.550 -10.681 1.00 53.44 C ATOM 944 O LEU A 57 -11.400 26.660 -11.090 1.00 71.42 O ATOM 945 CB LEU A 57 -10.434 23.915 -12.469 1.00 34.21 C ATOM 946 CG LEU A 57 -10.777 22.473 -12.091 1.00 4.21 C ATOM 947 CD1 LEU A 57 -11.973 21.981 -12.890 1.00 52.53 C ATOM 948 CD2 LEU A 57 -9.576 21.565 -12.311 1.00 61.34 C ATOM 0 H LEU A 57 -9.469 23.008 -10.333 1.00 71.35 H new ATOM 0 HA LEU A 57 -9.208 25.527 -11.752 1.00 24.50 H new ATOM 0 HB2 LEU A 57 -11.328 24.384 -12.881 1.00 34.21 H new ATOM 0 HB3 LEU A 57 -9.690 23.893 -13.265 1.00 34.21 H new ATOM 0 HG LEU A 57 -11.039 22.447 -11.033 1.00 4.21 H new ATOM 0 HD11 LEU A 57 -12.202 20.953 -12.607 1.00 52.53 H new ATOM 0 HD12 LEU A 57 -12.835 22.615 -12.682 1.00 52.53 H new ATOM 0 HD13 LEU A 57 -11.741 22.021 -13.954 1.00 52.53 H new ATOM 0 HD21 LEU A 57 -9.838 20.543 -12.037 1.00 61.34 H new ATOM 0 HD22 LEU A 57 -9.284 21.596 -13.361 1.00 61.34 H new ATOM 0 HD23 LEU A 57 -8.745 21.905 -11.693 1.00 61.34 H new ATOM 960 N VAL A 58 -11.649 24.941 -9.660 1.00 21.34 N ATOM 961 CA VAL A 58 -12.761 25.555 -8.944 1.00 21.44 C ATOM 962 C VAL A 58 -12.391 26.946 -8.443 1.00 2.12 C ATOM 963 O VAL A 58 -13.195 27.876 -8.512 1.00 22.04 O ATOM 964 CB VAL A 58 -13.203 24.691 -7.747 1.00 51.23 C ATOM 965 CG1 VAL A 58 -14.305 25.388 -6.964 1.00 3.43 C ATOM 966 CG2 VAL A 58 -13.660 23.320 -8.221 1.00 34.33 C ATOM 0 H VAL A 58 -11.378 24.022 -9.310 1.00 21.34 H new ATOM 0 HA VAL A 58 -13.587 25.634 -9.651 1.00 21.44 H new ATOM 0 HB VAL A 58 -12.349 24.555 -7.083 1.00 51.23 H new ATOM 0 HG11 VAL A 58 -14.604 24.763 -6.123 1.00 3.43 H new ATOM 0 HG12 VAL A 58 -13.938 26.345 -6.593 1.00 3.43 H new ATOM 0 HG13 VAL A 58 -15.163 25.556 -7.615 1.00 3.43 H new ATOM 0 HG21 VAL A 58 -13.969 22.723 -7.363 1.00 34.33 H new ATOM 0 HG22 VAL A 58 -14.501 23.433 -8.906 1.00 34.33 H new ATOM 0 HG23 VAL A 58 -12.839 22.820 -8.734 1.00 34.33 H new ATOM 976 N ASP A 59 -11.169 27.082 -7.939 1.00 60.05 N ATOM 977 CA ASP A 59 -10.691 28.361 -7.428 1.00 3.20 C ATOM 978 C ASP A 59 -10.227 29.263 -8.568 1.00 22.14 C ATOM 979 O ASP A 59 -9.699 30.351 -8.336 1.00 60.21 O ATOM 980 CB ASP A 59 -9.547 28.143 -6.436 1.00 70.42 C ATOM 981 CG ASP A 59 -10.035 27.646 -5.090 1.00 14.14 C ATOM 982 OD1 ASP A 59 -11.266 27.615 -4.880 1.00 1.01 O ATOM 983 OD2 ASP A 59 -9.187 27.290 -4.245 1.00 31.50 O ATOM 0 H ASP A 59 -10.492 26.322 -7.874 1.00 60.05 H new ATOM 0 HA ASP A 59 -11.518 28.851 -6.915 1.00 3.20 H new ATOM 0 HB2 ASP A 59 -8.842 27.423 -6.852 1.00 70.42 H new ATOM 0 HB3 ASP A 59 -9.005 29.079 -6.300 1.00 70.42 H new ATOM 988 N ASP A 60 -10.426 28.803 -9.798 1.00 33.12 N ATOM 989 CA ASP A 60 -10.029 29.568 -10.974 1.00 24.30 C ATOM 990 C ASP A 60 -11.249 29.989 -11.786 1.00 50.15 C ATOM 991 O ASP A 60 -11.172 30.894 -12.617 1.00 54.43 O ATOM 992 CB ASP A 60 -9.079 28.745 -11.846 1.00 42.33 C ATOM 993 CG ASP A 60 -7.641 29.213 -11.737 1.00 21.03 C ATOM 994 OD1 ASP A 60 -7.419 30.441 -11.679 1.00 23.34 O ATOM 995 OD2 ASP A 60 -6.738 28.351 -11.708 1.00 42.33 O ATOM 0 H ASP A 60 -10.860 27.904 -10.007 1.00 33.12 H new ATOM 0 HA ASP A 60 -9.513 30.467 -10.636 1.00 24.30 H new ATOM 0 HB2 ASP A 60 -9.140 27.696 -11.555 1.00 42.33 H new ATOM 0 HB3 ASP A 60 -9.400 28.806 -12.886 1.00 42.33 H new ATOM 1000 N PHE A 61 -12.374 29.326 -11.542 1.00 32.34 N ATOM 1001 CA PHE A 61 -13.611 29.630 -12.252 1.00 20.11 C ATOM 1002 C PHE A 61 -14.533 30.492 -11.394 1.00 62.13 C ATOM 1003 O PHE A 61 -14.876 31.613 -11.768 1.00 61.22 O ATOM 1004 CB PHE A 61 -14.327 28.337 -12.649 1.00 42.35 C ATOM 1005 CG PHE A 61 -15.673 28.566 -13.275 1.00 33.45 C ATOM 1006 CD1 PHE A 61 -15.782 28.900 -14.615 1.00 22.12 C ATOM 1007 CD2 PHE A 61 -16.830 28.445 -12.522 1.00 54.41 C ATOM 1008 CE1 PHE A 61 -17.020 29.111 -15.192 1.00 44.31 C ATOM 1009 CE2 PHE A 61 -18.071 28.655 -13.094 1.00 52.21 C ATOM 1010 CZ PHE A 61 -18.166 28.988 -14.431 1.00 63.42 C ATOM 0 H PHE A 61 -12.455 28.574 -10.858 1.00 32.34 H new ATOM 0 HA PHE A 61 -13.356 30.188 -13.153 1.00 20.11 H new ATOM 0 HB2 PHE A 61 -13.700 27.783 -13.347 1.00 42.35 H new ATOM 0 HB3 PHE A 61 -14.448 27.712 -11.764 1.00 42.35 H new ATOM 0 HD1 PHE A 61 -14.890 28.997 -15.216 1.00 22.12 H new ATOM 0 HD2 PHE A 61 -16.761 28.184 -11.476 1.00 54.41 H new ATOM 0 HE1 PHE A 61 -17.091 29.372 -16.238 1.00 44.31 H new ATOM 0 HE2 PHE A 61 -18.965 28.559 -12.496 1.00 52.21 H new ATOM 0 HZ PHE A 61 -19.134 29.152 -14.880 1.00 63.42 H new ATOM 1020 N GLU A 62 -14.930 29.959 -10.243 1.00 22.10 N ATOM 1021 CA GLU A 62 -15.813 30.679 -9.333 1.00 70.10 C ATOM 1022 C GLU A 62 -15.133 31.934 -8.794 1.00 41.34 C ATOM 1023 O GLU A 62 -15.782 32.954 -8.560 1.00 2.03 O ATOM 1024 CB GLU A 62 -16.232 29.775 -8.172 1.00 75.20 C ATOM 1025 CG GLU A 62 -15.162 29.619 -7.105 1.00 32.32 C ATOM 1026 CD GLU A 62 -15.261 30.675 -6.021 1.00 23.40 C ATOM 1027 OE1 GLU A 62 -16.070 31.612 -6.177 1.00 52.43 O ATOM 1028 OE2 GLU A 62 -14.528 30.562 -5.016 1.00 3.40 O ATOM 0 H GLU A 62 -14.654 29.032 -9.919 1.00 22.10 H new ATOM 0 HA GLU A 62 -16.701 30.978 -9.890 1.00 70.10 H new ATOM 0 HB2 GLU A 62 -17.134 30.181 -7.714 1.00 75.20 H new ATOM 0 HB3 GLU A 62 -16.489 28.791 -8.563 1.00 75.20 H new ATOM 0 HG2 GLU A 62 -15.246 28.631 -6.653 1.00 32.32 H new ATOM 0 HG3 GLU A 62 -14.178 29.673 -7.571 1.00 32.32 H new ATOM 1035 N LYS A 63 -13.821 31.852 -8.600 1.00 51.20 N ATOM 1036 CA LYS A 63 -13.051 32.980 -8.090 1.00 4.11 C ATOM 1037 C LYS A 63 -12.968 34.096 -9.127 1.00 22.24 C ATOM 1038 O LYS A 63 -12.547 35.210 -8.820 1.00 44.32 O ATOM 1039 CB LYS A 63 -11.642 32.527 -7.699 1.00 71.01 C ATOM 1040 CG LYS A 63 -11.619 31.542 -6.543 1.00 2.53 C ATOM 1041 CD LYS A 63 -12.130 32.177 -5.260 1.00 74.41 C ATOM 1042 CE LYS A 63 -11.237 33.322 -4.810 1.00 0.31 C ATOM 1043 NZ LYS A 63 -11.242 33.481 -3.329 1.00 54.13 N ATOM 0 H LYS A 63 -13.269 31.015 -8.788 1.00 51.20 H new ATOM 0 HA LYS A 63 -13.561 33.366 -7.207 1.00 4.11 H new ATOM 0 HB2 LYS A 63 -11.163 32.070 -8.565 1.00 71.01 H new ATOM 0 HB3 LYS A 63 -11.049 33.402 -7.432 1.00 71.01 H new ATOM 0 HG2 LYS A 63 -12.232 30.675 -6.790 1.00 2.53 H new ATOM 0 HG3 LYS A 63 -10.602 31.181 -6.391 1.00 2.53 H new ATOM 0 HD2 LYS A 63 -13.145 32.545 -5.414 1.00 74.41 H new ATOM 0 HD3 LYS A 63 -12.180 31.423 -4.475 1.00 74.41 H new ATOM 0 HE2 LYS A 63 -10.218 33.144 -5.153 1.00 0.31 H new ATOM 0 HE3 LYS A 63 -11.572 34.249 -5.276 1.00 0.31 H new ATOM 0 HZ1 LYS A 63 -10.621 34.272 -3.063 1.00 54.13 H new ATOM 0 HZ2 LYS A 63 -12.210 33.676 -3.004 1.00 54.13 H new ATOM 0 HZ3 LYS A 63 -10.898 32.606 -2.885 1.00 54.13 H new ATOM 1057 N ASN A 64 -13.374 33.788 -10.354 1.00 40.22 N ATOM 1058 CA ASN A 64 -13.346 34.766 -11.436 1.00 33.11 C ATOM 1059 C ASN A 64 -14.725 35.384 -11.646 1.00 13.01 C ATOM 1060 O ASN A 64 -14.851 36.594 -11.834 1.00 73.42 O ATOM 1061 CB ASN A 64 -12.866 34.110 -12.732 1.00 74.12 C ATOM 1062 CG ASN A 64 -11.365 33.896 -12.751 1.00 11.33 C ATOM 1063 OD1 ASN A 64 -10.824 33.405 -11.642 1.00 53.33 O flip ATOM 1064 ND2 ASN A 64 -10.700 34.169 -13.750 1.00 2.52 N flip ATOM 0 H ASN A 64 -13.726 32.870 -10.624 1.00 40.22 H new ATOM 0 HA ASN A 64 -12.651 35.558 -11.159 1.00 33.11 H new ATOM 0 HB2 ASN A 64 -13.368 33.151 -12.858 1.00 74.12 H new ATOM 0 HB3 ASN A 64 -13.152 34.734 -13.579 1.00 74.12 H new ATOM 0 HD21 ASN A 64 -11.158 34.544 -14.581 1.00 2.52 H new ATOM 0 HD22 ASN A 64 -9.691 34.020 -13.747 1.00 2.52 H new ATOM 1071 N GLN A 65 -15.755 34.545 -11.611 1.00 74.24 N ATOM 1072 CA GLN A 65 -17.125 35.009 -11.798 1.00 1.10 C ATOM 1073 C GLN A 65 -17.708 35.525 -10.487 1.00 12.13 C ATOM 1074 O GLN A 65 -18.826 36.040 -10.452 1.00 32.42 O ATOM 1075 CB GLN A 65 -17.998 33.880 -12.349 1.00 41.30 C ATOM 1076 CG GLN A 65 -18.116 32.690 -11.411 1.00 74.23 C ATOM 1077 CD GLN A 65 -19.548 32.221 -11.242 1.00 20.50 C ATOM 1078 OE1 GLN A 65 -19.923 31.149 -11.720 1.00 10.42 O ATOM 1079 NE2 GLN A 65 -20.357 33.022 -10.559 1.00 30.23 N ATOM 0 H GLN A 65 -15.667 33.541 -11.455 1.00 74.24 H new ATOM 0 HA GLN A 65 -17.109 35.829 -12.516 1.00 1.10 H new ATOM 0 HB2 GLN A 65 -18.995 34.270 -12.555 1.00 41.30 H new ATOM 0 HB3 GLN A 65 -17.585 33.543 -13.300 1.00 41.30 H new ATOM 0 HG2 GLN A 65 -17.511 31.868 -11.795 1.00 74.23 H new ATOM 0 HG3 GLN A 65 -17.708 32.958 -10.437 1.00 74.23 H new ATOM 0 HE21 GLN A 65 -20.004 33.901 -10.181 1.00 30.23 H new ATOM 0 HE22 GLN A 65 -21.331 32.758 -10.413 1.00 30.23 H new ATOM 1088 N LYS A 66 -16.944 35.384 -9.409 1.00 31.11 N ATOM 1089 CA LYS A 66 -17.384 35.836 -8.094 1.00 44.13 C ATOM 1090 C LYS A 66 -17.707 37.327 -8.112 1.00 30.33 C ATOM 1091 O LYS A 66 -18.531 37.803 -7.331 1.00 1.14 O ATOM 1092 CB LYS A 66 -16.305 35.550 -7.047 1.00 32.32 C ATOM 1093 CG LYS A 66 -14.940 36.107 -7.411 1.00 60.34 C ATOM 1094 CD LYS A 66 -14.813 37.570 -7.023 1.00 1.14 C ATOM 1095 CE LYS A 66 -13.500 37.844 -6.306 1.00 4.31 C ATOM 1096 NZ LYS A 66 -12.433 38.280 -7.250 1.00 13.24 N ATOM 0 H LYS A 66 -16.016 34.960 -9.420 1.00 31.11 H new ATOM 0 HA LYS A 66 -18.290 35.289 -7.833 1.00 44.13 H new ATOM 0 HB2 LYS A 66 -16.617 35.972 -6.092 1.00 32.32 H new ATOM 0 HB3 LYS A 66 -16.223 34.472 -6.908 1.00 32.32 H new ATOM 0 HG2 LYS A 66 -14.164 35.528 -6.910 1.00 60.34 H new ATOM 0 HG3 LYS A 66 -14.776 35.998 -8.483 1.00 60.34 H new ATOM 0 HD2 LYS A 66 -14.878 38.191 -7.916 1.00 1.14 H new ATOM 0 HD3 LYS A 66 -15.646 37.850 -6.379 1.00 1.14 H new ATOM 0 HE2 LYS A 66 -13.653 38.614 -5.550 1.00 4.31 H new ATOM 0 HE3 LYS A 66 -13.177 36.944 -5.783 1.00 4.31 H new ATOM 0 HZ1 LYS A 66 -11.554 38.457 -6.723 1.00 13.24 H new ATOM 0 HZ2 LYS A 66 -12.269 37.535 -7.957 1.00 13.24 H new ATOM 0 HZ3 LYS A 66 -12.730 39.153 -7.730 1.00 13.24 H new ATOM 1110 N LYS A 67 -17.054 38.059 -9.008 1.00 73.42 N ATOM 1111 CA LYS A 67 -17.274 39.495 -9.130 1.00 61.12 C ATOM 1112 C LYS A 67 -18.604 39.786 -9.818 1.00 32.45 C ATOM 1113 O LYS A 67 -19.661 39.360 -9.351 1.00 71.52 O ATOM 1114 CB LYS A 67 -16.130 40.142 -9.915 1.00 32.42 C ATOM 1115 CG LYS A 67 -16.124 41.659 -9.842 1.00 32.21 C ATOM 1116 CD LYS A 67 -15.002 42.170 -8.954 1.00 60.11 C ATOM 1117 CE LYS A 67 -15.475 43.300 -8.052 1.00 73.43 C ATOM 1118 NZ LYS A 67 -14.337 44.103 -7.526 1.00 53.11 N ATOM 0 H LYS A 67 -16.368 37.681 -9.661 1.00 73.42 H new ATOM 0 HA LYS A 67 -17.304 39.919 -8.126 1.00 61.12 H new ATOM 0 HB2 LYS A 67 -15.181 39.765 -9.535 1.00 32.42 H new ATOM 0 HB3 LYS A 67 -16.199 39.837 -10.959 1.00 32.42 H new ATOM 0 HG2 LYS A 67 -16.013 42.072 -10.845 1.00 32.21 H new ATOM 0 HG3 LYS A 67 -17.082 42.009 -9.458 1.00 32.21 H new ATOM 0 HD2 LYS A 67 -14.619 41.352 -8.344 1.00 60.11 H new ATOM 0 HD3 LYS A 67 -14.176 42.519 -9.574 1.00 60.11 H new ATOM 0 HE2 LYS A 67 -16.151 43.949 -8.608 1.00 73.43 H new ATOM 0 HE3 LYS A 67 -16.043 42.886 -7.219 1.00 73.43 H new ATOM 0 HZ1 LYS A 67 -14.701 44.863 -6.916 1.00 53.11 H new ATOM 0 HZ2 LYS A 67 -13.705 43.489 -6.974 1.00 53.11 H new ATOM 0 HZ3 LYS A 67 -13.810 44.519 -8.320 1.00 53.11 H new TER 1132 LYS A 67