USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 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 51 SER OG : rot -8:sc= 1.04! USER MOD Set 1.2: A 70 LYS NZ :NH3+ -108:sc= 1.14! (180deg=-3.15!) USER MOD Set 2.1: A 36 CYS SG : rot -67:sc= 0.967 USER MOD Set 2.2: A 44 SER OG : rot 40:sc= 1.57 USER MOD Set 2.3: A 45 GLN : amide:sc= 1.03 K(o=3.6,f=2.4) USER MOD Set 3.1: A 1 GLY N :NH3+ 178:sc= 1.68 (180deg=0.168) USER MOD Set 3.2: A 4 SER OG : rot 62:sc= 1.59 USER MOD Set 3.3: A 12 THR OG1 : rot -73:sc= 1.54 USER MOD Single : A 2 SER OG : rot 131:sc= 0.58 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.951 K(o=0.95,f=-6!) USER MOD Single : A 9 SER OG : rot 57:sc= 0.971 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 103:sc= 0.066 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 144:sc= 1.18 USER MOD Single : A 41 GLN : amide:sc= 0.899 K(o=0.9,f=-6.8!) USER MOD Single : A 46 SER OG : rot 19:sc= 1.24 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= 1.69 (180deg=1.37) USER MOD Single : A 66 GLN : amide:sc= 1.06 K(o=1.1,f=-0.3) USER MOD Single : A 67 TYR OH : rot 116:sc= 1.18 USER MOD Single : A 68 SER OG : rot 59:sc= 1.04 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -159:sc= -0.106 (180deg=-0.207) USER MOD Single : A 79 LYS NZ :NH3+ -136:sc= 0.916 (180deg=-0.242!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 1.11 K(o=1.1,f=-0.047) USER MOD Single : A 89 HIS : no HE2:sc= 0.81 K(o=0.81,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.851 -25.751 -3.203 1.00 1.06 N ATOM 2 CA GLY A 1 8.532 -24.627 -2.487 1.00 1.01 C ATOM 3 C GLY A 1 8.213 -23.302 -3.197 1.00 0.95 C ATOM 4 O GLY A 1 7.149 -23.141 -3.767 1.00 1.00 O ATOM 0 H1 GLY A 1 8.093 -26.652 -2.744 1.00 1.06 H new ATOM 0 H2 GLY A 1 6.821 -25.611 -3.169 1.00 1.06 H new ATOM 0 H3 GLY A 1 8.165 -25.772 -4.194 1.00 1.06 H new ATOM 0 HA2 GLY A 1 8.198 -24.586 -1.450 1.00 1.01 H new ATOM 0 HA3 GLY A 1 9.609 -24.792 -2.469 1.00 1.01 H new ATOM 10 N SER A 2 9.119 -22.354 -3.179 1.00 0.96 N ATOM 11 CA SER A 2 8.856 -21.052 -3.868 1.00 1.04 C ATOM 12 C SER A 2 9.058 -21.215 -5.380 1.00 1.08 C ATOM 13 O SER A 2 8.121 -21.447 -6.122 1.00 1.17 O ATOM 14 CB SER A 2 9.868 -20.063 -3.279 1.00 1.15 C ATOM 15 OG SER A 2 11.191 -20.540 -3.520 1.00 1.13 O ATOM 0 H SER A 2 10.026 -22.425 -2.718 1.00 0.96 H new ATOM 0 HA SER A 2 7.834 -20.702 -3.719 1.00 1.04 H new ATOM 0 HB2 SER A 2 9.736 -19.079 -3.730 1.00 1.15 H new ATOM 0 HB3 SER A 2 9.700 -19.948 -2.208 1.00 1.15 H new ATOM 0 HG SER A 2 11.735 -19.818 -3.899 1.00 1.13 H new ATOM 21 N MET A 3 10.278 -21.115 -5.836 1.00 1.10 N ATOM 22 CA MET A 3 10.562 -21.284 -7.300 1.00 1.24 C ATOM 23 C MET A 3 10.410 -22.765 -7.693 1.00 1.23 C ATOM 24 O MET A 3 11.334 -23.388 -8.180 1.00 1.31 O ATOM 25 CB MET A 3 12.019 -20.834 -7.490 1.00 1.32 C ATOM 26 CG MET A 3 12.123 -19.309 -7.359 1.00 1.50 C ATOM 27 SD MET A 3 12.610 -18.607 -8.957 1.00 2.13 S ATOM 28 CE MET A 3 14.118 -17.772 -8.402 1.00 2.66 C ATOM 0 H MET A 3 11.097 -20.923 -5.259 1.00 1.10 H new ATOM 0 HA MET A 3 9.876 -20.706 -7.920 1.00 1.24 H new ATOM 0 HB2 MET A 3 12.656 -21.315 -6.747 1.00 1.32 H new ATOM 0 HB3 MET A 3 12.380 -21.148 -8.470 1.00 1.32 H new ATOM 0 HG2 MET A 3 11.167 -18.893 -7.042 1.00 1.50 H new ATOM 0 HG3 MET A 3 12.854 -19.046 -6.595 1.00 1.50 H new ATOM 0 HE1 MET A 3 14.585 -17.266 -9.247 1.00 2.66 H new ATOM 0 HE2 MET A 3 13.867 -17.040 -7.634 1.00 2.66 H new ATOM 0 HE3 MET A 3 14.810 -18.507 -7.991 1.00 2.66 H new ATOM 38 N SER A 4 9.251 -23.332 -7.482 1.00 1.22 N ATOM 39 CA SER A 4 9.033 -24.767 -7.834 1.00 1.32 C ATOM 40 C SER A 4 7.573 -24.985 -8.246 1.00 1.40 C ATOM 41 O SER A 4 6.731 -25.308 -7.429 1.00 1.33 O ATOM 42 CB SER A 4 9.377 -25.554 -6.558 1.00 1.21 C ATOM 43 OG SER A 4 8.335 -25.411 -5.586 1.00 1.09 O ATOM 0 H SER A 4 8.442 -22.860 -7.079 1.00 1.22 H new ATOM 0 HA SER A 4 9.648 -25.091 -8.674 1.00 1.32 H new ATOM 0 HB2 SER A 4 9.515 -26.608 -6.800 1.00 1.21 H new ATOM 0 HB3 SER A 4 10.320 -25.195 -6.145 1.00 1.21 H new ATOM 0 HG SER A 4 7.502 -25.786 -5.942 1.00 1.09 H new ATOM 49 N ILE A 5 7.274 -24.791 -9.501 1.00 1.61 N ATOM 50 CA ILE A 5 5.870 -24.962 -10.015 1.00 1.74 C ATOM 51 C ILE A 5 5.158 -26.159 -9.362 1.00 1.70 C ATOM 52 O ILE A 5 4.092 -26.024 -8.792 1.00 1.66 O ATOM 53 CB ILE A 5 6.026 -25.159 -11.533 1.00 2.04 C ATOM 54 CG1 ILE A 5 7.112 -26.217 -11.845 1.00 2.14 C ATOM 55 CG2 ILE A 5 6.412 -23.823 -12.156 1.00 2.13 C ATOM 56 CD1 ILE A 5 7.991 -25.772 -13.023 1.00 2.38 C ATOM 0 H ILE A 5 7.952 -24.516 -10.212 1.00 1.61 H new ATOM 0 HA ILE A 5 5.248 -24.100 -9.775 1.00 1.74 H new ATOM 0 HB ILE A 5 5.083 -25.514 -11.949 1.00 2.04 H new ATOM 0 HG12 ILE A 5 7.733 -26.377 -10.963 1.00 2.14 H new ATOM 0 HG13 ILE A 5 6.639 -27.171 -12.079 1.00 2.14 H new ATOM 0 HG21 ILE A 5 6.527 -23.944 -13.233 1.00 2.13 H new ATOM 0 HG22 ILE A 5 5.632 -23.089 -11.954 1.00 2.13 H new ATOM 0 HG23 ILE A 5 7.353 -23.480 -11.727 1.00 2.13 H new ATOM 0 HD11 ILE A 5 8.746 -26.533 -13.222 1.00 2.38 H new ATOM 0 HD12 ILE A 5 7.371 -25.636 -13.909 1.00 2.38 H new ATOM 0 HD13 ILE A 5 8.481 -24.830 -12.776 1.00 2.38 H new ATOM 68 N MET A 6 5.745 -27.313 -9.437 1.00 1.78 N ATOM 69 CA MET A 6 5.116 -28.525 -8.811 1.00 1.83 C ATOM 70 C MET A 6 5.758 -28.815 -7.454 1.00 1.68 C ATOM 71 O MET A 6 5.196 -28.467 -6.431 1.00 1.54 O ATOM 72 CB MET A 6 5.334 -29.678 -9.808 1.00 2.12 C ATOM 73 CG MET A 6 3.986 -30.096 -10.415 1.00 2.31 C ATOM 74 SD MET A 6 4.263 -31.168 -11.850 1.00 2.63 S ATOM 75 CE MET A 6 3.360 -32.621 -11.249 1.00 3.35 C ATOM 0 H MET A 6 6.636 -27.481 -9.904 1.00 1.78 H new ATOM 0 HA MET A 6 4.053 -28.382 -8.619 1.00 1.83 H new ATOM 0 HB2 MET A 6 6.018 -29.366 -10.597 1.00 2.12 H new ATOM 0 HB3 MET A 6 5.796 -30.526 -9.303 1.00 2.12 H new ATOM 0 HG2 MET A 6 3.388 -30.619 -9.669 1.00 2.31 H new ATOM 0 HG3 MET A 6 3.422 -29.212 -10.713 1.00 2.31 H new ATOM 0 HE1 MET A 6 3.407 -33.413 -11.996 1.00 3.35 H new ATOM 0 HE2 MET A 6 3.810 -32.971 -10.320 1.00 3.35 H new ATOM 0 HE3 MET A 6 2.319 -32.354 -11.069 1.00 3.35 H new ATOM 85 N ASP A 7 6.914 -29.445 -7.427 1.00 1.76 N ATOM 86 CA ASP A 7 7.599 -29.760 -6.124 1.00 1.70 C ATOM 87 C ASP A 7 6.761 -30.729 -5.267 1.00 1.77 C ATOM 88 O ASP A 7 7.245 -31.754 -4.829 1.00 1.94 O ATOM 89 CB ASP A 7 7.764 -28.404 -5.420 1.00 1.48 C ATOM 90 CG ASP A 7 8.526 -28.574 -4.107 1.00 1.46 C ATOM 91 OD1 ASP A 7 9.724 -28.774 -4.156 1.00 1.61 O ATOM 92 OD2 ASP A 7 7.890 -28.471 -3.067 1.00 1.48 O ATOM 0 H ASP A 7 7.416 -29.757 -8.258 1.00 1.76 H new ATOM 0 HA ASP A 7 8.556 -30.257 -6.284 1.00 1.70 H new ATOM 0 HB2 ASP A 7 8.298 -27.712 -6.071 1.00 1.48 H new ATOM 0 HB3 ASP A 7 6.785 -27.967 -5.225 1.00 1.48 H new ATOM 97 N HIS A 8 5.515 -30.411 -5.026 1.00 1.71 N ATOM 98 CA HIS A 8 4.655 -31.311 -4.192 1.00 1.84 C ATOM 99 C HIS A 8 3.242 -31.419 -4.775 1.00 1.87 C ATOM 100 O HIS A 8 2.659 -32.487 -4.828 1.00 2.08 O ATOM 101 CB HIS A 8 4.618 -30.648 -2.810 1.00 1.75 C ATOM 102 CG HIS A 8 5.723 -31.197 -1.953 1.00 1.88 C ATOM 103 ND1 HIS A 8 6.964 -30.586 -1.866 1.00 1.80 N ATOM 104 CD2 HIS A 8 5.787 -32.296 -1.135 1.00 2.15 C ATOM 105 CE1 HIS A 8 7.714 -31.317 -1.020 1.00 2.00 C ATOM 106 NE2 HIS A 8 7.045 -32.371 -0.546 1.00 2.22 N ATOM 0 H HIS A 8 5.054 -29.568 -5.369 1.00 1.71 H new ATOM 0 HA HIS A 8 5.048 -32.327 -4.154 1.00 1.84 H new ATOM 0 HB2 HIS A 8 4.726 -29.568 -2.911 1.00 1.75 H new ATOM 0 HB3 HIS A 8 3.653 -30.828 -2.336 1.00 1.75 H new ATOM 0 HD1 HIS A 8 7.255 -29.739 -2.353 1.00 1.80 H new ATOM 0 HD2 HIS A 8 4.982 -32.997 -0.973 1.00 2.15 H new ATOM 0 HE1 HIS A 8 8.734 -31.080 -0.756 1.00 2.00 H new ATOM 114 N SER A 9 2.690 -30.318 -5.206 1.00 1.71 N ATOM 115 CA SER A 9 1.313 -30.327 -5.787 1.00 1.76 C ATOM 116 C SER A 9 0.935 -28.933 -6.307 1.00 1.61 C ATOM 117 O SER A 9 1.660 -27.973 -6.091 1.00 1.47 O ATOM 118 CB SER A 9 0.395 -30.739 -4.633 1.00 1.80 C ATOM 119 OG SER A 9 0.017 -32.096 -4.812 1.00 2.02 O ATOM 0 H SER A 9 3.137 -29.402 -5.181 1.00 1.71 H new ATOM 0 HA SER A 9 1.233 -31.007 -6.635 1.00 1.76 H new ATOM 0 HB2 SER A 9 0.907 -30.612 -3.679 1.00 1.80 H new ATOM 0 HB3 SER A 9 -0.489 -30.101 -4.607 1.00 1.80 H new ATOM 0 HG SER A 9 0.820 -32.656 -4.859 1.00 2.02 H new ATOM 125 N PRO A 10 -0.196 -28.862 -6.977 1.00 1.66 N ATOM 126 CA PRO A 10 -0.676 -27.566 -7.534 1.00 1.58 C ATOM 127 C PRO A 10 -1.097 -26.610 -6.407 1.00 1.39 C ATOM 128 O PRO A 10 -2.248 -26.237 -6.279 1.00 1.39 O ATOM 129 CB PRO A 10 -1.866 -27.969 -8.399 1.00 1.73 C ATOM 130 CG PRO A 10 -2.342 -29.263 -7.824 1.00 1.82 C ATOM 131 CD PRO A 10 -1.128 -29.963 -7.273 1.00 1.84 C ATOM 0 HA PRO A 10 0.088 -27.032 -8.098 1.00 1.58 H new ATOM 0 HB2 PRO A 10 -2.650 -27.212 -8.369 1.00 1.73 H new ATOM 0 HB3 PRO A 10 -1.574 -28.085 -9.443 1.00 1.73 H new ATOM 0 HG2 PRO A 10 -3.079 -29.090 -7.039 1.00 1.82 H new ATOM 0 HG3 PRO A 10 -2.826 -29.871 -8.588 1.00 1.82 H new ATOM 0 HD2 PRO A 10 -1.368 -30.536 -6.378 1.00 1.84 H new ATOM 0 HD3 PRO A 10 -0.706 -30.662 -7.995 1.00 1.84 H new ATOM 139 N THR A 11 -0.157 -26.215 -5.596 1.00 1.28 N ATOM 140 CA THR A 11 -0.462 -25.279 -4.465 1.00 1.16 C ATOM 141 C THR A 11 0.795 -24.496 -4.042 1.00 1.07 C ATOM 142 O THR A 11 0.719 -23.320 -3.744 1.00 1.03 O ATOM 143 CB THR A 11 -0.979 -26.162 -3.317 1.00 1.22 C ATOM 144 OG1 THR A 11 -1.199 -25.352 -2.171 1.00 1.21 O ATOM 145 CG2 THR A 11 0.037 -27.254 -2.969 1.00 1.35 C ATOM 0 H THR A 11 0.820 -26.500 -5.664 1.00 1.28 H new ATOM 0 HA THR A 11 -1.202 -24.532 -4.754 1.00 1.16 H new ATOM 0 HB THR A 11 -1.908 -26.636 -3.633 1.00 1.22 H new ATOM 0 HG1 THR A 11 -1.530 -25.909 -1.436 1.00 1.21 H new ATOM 0 HG21 THR A 11 -0.351 -27.866 -2.154 1.00 1.35 H new ATOM 0 HG22 THR A 11 0.210 -27.882 -3.843 1.00 1.35 H new ATOM 0 HG23 THR A 11 0.976 -26.793 -2.661 1.00 1.35 H new ATOM 153 N THR A 12 1.951 -25.126 -4.027 1.00 1.08 N ATOM 154 CA THR A 12 3.209 -24.397 -3.632 1.00 1.02 C ATOM 155 C THR A 12 3.376 -23.116 -4.465 1.00 0.94 C ATOM 156 O THR A 12 3.856 -22.103 -3.983 1.00 0.92 O ATOM 157 CB THR A 12 4.354 -25.392 -3.893 1.00 1.07 C ATOM 158 OG1 THR A 12 5.546 -24.920 -3.280 1.00 1.05 O ATOM 159 CG2 THR A 12 4.589 -25.559 -5.396 1.00 1.10 C ATOM 0 H THR A 12 2.079 -26.108 -4.270 1.00 1.08 H new ATOM 0 HA THR A 12 3.190 -24.079 -2.590 1.00 1.02 H new ATOM 0 HB THR A 12 4.078 -26.358 -3.470 1.00 1.07 H new ATOM 0 HG1 THR A 12 5.895 -24.158 -3.788 1.00 1.05 H new ATOM 0 HG21 THR A 12 5.402 -26.266 -5.561 1.00 1.10 H new ATOM 0 HG22 THR A 12 3.680 -25.935 -5.867 1.00 1.10 H new ATOM 0 HG23 THR A 12 4.852 -24.595 -5.832 1.00 1.10 H new ATOM 167 N GLY A 13 2.962 -23.150 -5.705 1.00 0.95 N ATOM 168 CA GLY A 13 3.066 -21.940 -6.575 1.00 0.92 C ATOM 169 C GLY A 13 1.997 -20.931 -6.155 1.00 0.88 C ATOM 170 O GLY A 13 2.295 -19.783 -5.881 1.00 0.86 O ATOM 0 H GLY A 13 2.554 -23.969 -6.155 1.00 0.95 H new ATOM 0 HA2 GLY A 13 4.058 -21.497 -6.486 1.00 0.92 H new ATOM 0 HA3 GLY A 13 2.933 -22.216 -7.621 1.00 0.92 H new ATOM 174 N VAL A 14 0.756 -21.360 -6.083 1.00 0.92 N ATOM 175 CA VAL A 14 -0.346 -20.435 -5.657 1.00 0.92 C ATOM 176 C VAL A 14 -0.018 -19.844 -4.279 1.00 0.89 C ATOM 177 O VAL A 14 -0.251 -18.679 -4.020 1.00 0.88 O ATOM 178 CB VAL A 14 -1.610 -21.307 -5.594 1.00 0.99 C ATOM 179 CG1 VAL A 14 -2.730 -20.541 -4.887 1.00 1.06 C ATOM 180 CG2 VAL A 14 -2.067 -21.657 -7.014 1.00 1.09 C ATOM 0 H VAL A 14 0.459 -22.311 -6.301 1.00 0.92 H new ATOM 0 HA VAL A 14 -0.478 -19.598 -6.343 1.00 0.92 H new ATOM 0 HB VAL A 14 -1.384 -22.220 -5.044 1.00 0.99 H new ATOM 0 HG11 VAL A 14 -3.625 -21.162 -4.844 1.00 1.06 H new ATOM 0 HG12 VAL A 14 -2.415 -20.288 -3.875 1.00 1.06 H new ATOM 0 HG13 VAL A 14 -2.949 -19.626 -5.438 1.00 1.06 H new ATOM 0 HG21 VAL A 14 -2.963 -22.275 -6.966 1.00 1.09 H new ATOM 0 HG22 VAL A 14 -2.287 -20.741 -7.562 1.00 1.09 H new ATOM 0 HG23 VAL A 14 -1.276 -22.204 -7.526 1.00 1.09 H new ATOM 190 N VAL A 15 0.545 -20.633 -3.399 1.00 0.92 N ATOM 191 CA VAL A 15 0.911 -20.098 -2.052 1.00 0.94 C ATOM 192 C VAL A 15 2.076 -19.121 -2.205 1.00 0.87 C ATOM 193 O VAL A 15 2.081 -18.050 -1.627 1.00 0.87 O ATOM 194 CB VAL A 15 1.304 -21.325 -1.213 1.00 1.03 C ATOM 195 CG1 VAL A 15 2.024 -20.881 0.065 1.00 1.21 C ATOM 196 CG2 VAL A 15 0.042 -22.100 -0.826 1.00 1.25 C ATOM 0 H VAL A 15 0.766 -21.617 -3.553 1.00 0.92 H new ATOM 0 HA VAL A 15 0.097 -19.554 -1.572 1.00 0.94 H new ATOM 0 HB VAL A 15 1.968 -21.958 -1.802 1.00 1.03 H new ATOM 0 HG11 VAL A 15 2.298 -21.758 0.652 1.00 1.21 H new ATOM 0 HG12 VAL A 15 2.924 -20.325 -0.199 1.00 1.21 H new ATOM 0 HG13 VAL A 15 1.363 -20.244 0.652 1.00 1.21 H new ATOM 0 HG21 VAL A 15 0.318 -22.971 -0.231 1.00 1.25 H new ATOM 0 HG22 VAL A 15 -0.616 -21.456 -0.243 1.00 1.25 H new ATOM 0 HG23 VAL A 15 -0.476 -22.426 -1.728 1.00 1.25 H new ATOM 206 N THR A 16 3.051 -19.474 -3.000 1.00 0.84 N ATOM 207 CA THR A 16 4.219 -18.561 -3.220 1.00 0.82 C ATOM 208 C THR A 16 3.732 -17.206 -3.734 1.00 0.76 C ATOM 209 O THR A 16 4.072 -16.170 -3.193 1.00 0.75 O ATOM 210 CB THR A 16 5.100 -19.254 -4.268 1.00 0.83 C ATOM 211 OG1 THR A 16 5.631 -20.449 -3.716 1.00 0.89 O ATOM 212 CG2 THR A 16 6.252 -18.334 -4.669 1.00 0.90 C ATOM 0 H THR A 16 3.092 -20.357 -3.509 1.00 0.84 H new ATOM 0 HA THR A 16 4.772 -18.377 -2.299 1.00 0.82 H new ATOM 0 HB THR A 16 4.498 -19.484 -5.147 1.00 0.83 H new ATOM 0 HG1 THR A 16 5.140 -21.219 -4.070 1.00 0.89 H new ATOM 0 HG21 THR A 16 6.873 -18.832 -5.413 1.00 0.90 H new ATOM 0 HG22 THR A 16 5.852 -17.412 -5.089 1.00 0.90 H new ATOM 0 HG23 THR A 16 6.854 -18.101 -3.791 1.00 0.90 H new ATOM 220 N VAL A 17 2.927 -17.207 -4.765 1.00 0.74 N ATOM 221 CA VAL A 17 2.408 -15.917 -5.306 1.00 0.71 C ATOM 222 C VAL A 17 1.511 -15.227 -4.268 1.00 0.71 C ATOM 223 O VAL A 17 1.568 -14.028 -4.103 1.00 0.71 O ATOM 224 CB VAL A 17 1.628 -16.253 -6.585 1.00 0.75 C ATOM 225 CG1 VAL A 17 2.566 -16.886 -7.616 1.00 0.81 C ATOM 226 CG2 VAL A 17 0.486 -17.224 -6.286 1.00 0.82 C ATOM 0 H VAL A 17 2.608 -18.043 -5.254 1.00 0.74 H new ATOM 0 HA VAL A 17 3.220 -15.225 -5.530 1.00 0.71 H new ATOM 0 HB VAL A 17 1.211 -15.327 -6.981 1.00 0.75 H new ATOM 0 HG11 VAL A 17 2.006 -17.122 -8.521 1.00 0.81 H new ATOM 0 HG12 VAL A 17 3.367 -16.187 -7.857 1.00 0.81 H new ATOM 0 HG13 VAL A 17 2.994 -17.801 -7.205 1.00 0.81 H new ATOM 0 HG21 VAL A 17 -0.052 -17.447 -7.207 1.00 0.82 H new ATOM 0 HG22 VAL A 17 0.892 -18.146 -5.870 1.00 0.82 H new ATOM 0 HG23 VAL A 17 -0.197 -16.772 -5.567 1.00 0.82 H new ATOM 236 N ILE A 18 0.703 -15.968 -3.545 1.00 0.76 N ATOM 237 CA ILE A 18 -0.161 -15.323 -2.504 1.00 0.79 C ATOM 238 C ILE A 18 0.718 -14.725 -1.409 1.00 0.78 C ATOM 239 O ILE A 18 0.433 -13.666 -0.890 1.00 0.80 O ATOM 240 CB ILE A 18 -1.058 -16.449 -1.962 1.00 0.90 C ATOM 241 CG1 ILE A 18 -2.242 -16.666 -2.915 1.00 0.97 C ATOM 242 CG2 ILE A 18 -1.591 -16.087 -0.570 1.00 1.03 C ATOM 243 CD1 ILE A 18 -3.102 -15.398 -2.986 1.00 1.07 C ATOM 0 H ILE A 18 0.605 -16.980 -3.629 1.00 0.76 H new ATOM 0 HA ILE A 18 -0.764 -14.507 -2.902 1.00 0.79 H new ATOM 0 HB ILE A 18 -0.467 -17.362 -1.890 1.00 0.90 H new ATOM 0 HG12 ILE A 18 -1.876 -16.923 -3.909 1.00 0.97 H new ATOM 0 HG13 ILE A 18 -2.846 -17.506 -2.571 1.00 0.97 H new ATOM 0 HG21 ILE A 18 -2.224 -16.894 -0.201 1.00 1.03 H new ATOM 0 HG22 ILE A 18 -0.754 -15.941 0.113 1.00 1.03 H new ATOM 0 HG23 ILE A 18 -2.174 -15.168 -0.631 1.00 1.03 H new ATOM 0 HD11 ILE A 18 -3.939 -15.563 -3.665 1.00 1.07 H new ATOM 0 HD12 ILE A 18 -3.482 -15.160 -1.993 1.00 1.07 H new ATOM 0 HD13 ILE A 18 -2.497 -14.568 -3.351 1.00 1.07 H new ATOM 255 N VAL A 19 1.793 -15.377 -1.075 1.00 0.79 N ATOM 256 CA VAL A 19 2.704 -14.817 -0.031 1.00 0.82 C ATOM 257 C VAL A 19 3.340 -13.527 -0.559 1.00 0.75 C ATOM 258 O VAL A 19 3.266 -12.492 0.078 1.00 0.75 O ATOM 259 CB VAL A 19 3.758 -15.905 0.221 1.00 0.89 C ATOM 260 CG1 VAL A 19 4.952 -15.314 0.977 1.00 0.99 C ATOM 261 CG2 VAL A 19 3.142 -17.023 1.063 1.00 1.03 C ATOM 0 H VAL A 19 2.083 -16.269 -1.475 1.00 0.79 H new ATOM 0 HA VAL A 19 2.186 -14.563 0.894 1.00 0.82 H new ATOM 0 HB VAL A 19 4.095 -16.300 -0.737 1.00 0.89 H new ATOM 0 HG11 VAL A 19 5.694 -16.093 1.151 1.00 0.99 H new ATOM 0 HG12 VAL A 19 5.397 -14.514 0.385 1.00 0.99 H new ATOM 0 HG13 VAL A 19 4.615 -14.914 1.933 1.00 0.99 H new ATOM 0 HG21 VAL A 19 3.889 -17.796 1.243 1.00 1.03 H new ATOM 0 HG22 VAL A 19 2.804 -16.616 2.016 1.00 1.03 H new ATOM 0 HG23 VAL A 19 2.294 -17.454 0.531 1.00 1.03 H new ATOM 271 N ILE A 20 3.941 -13.564 -1.727 1.00 0.72 N ATOM 272 CA ILE A 20 4.547 -12.318 -2.279 1.00 0.69 C ATOM 273 C ILE A 20 3.443 -11.285 -2.534 1.00 0.65 C ATOM 274 O ILE A 20 3.626 -10.108 -2.300 1.00 0.65 O ATOM 275 CB ILE A 20 5.280 -12.722 -3.571 1.00 0.71 C ATOM 276 CG1 ILE A 20 4.295 -13.266 -4.608 1.00 0.69 C ATOM 277 CG2 ILE A 20 6.322 -13.797 -3.255 1.00 0.79 C ATOM 278 CD1 ILE A 20 4.945 -13.246 -5.993 1.00 1.00 C ATOM 0 H ILE A 20 4.035 -14.394 -2.312 1.00 0.72 H new ATOM 0 HA ILE A 20 5.253 -11.857 -1.589 1.00 0.69 H new ATOM 0 HB ILE A 20 5.768 -11.837 -3.980 1.00 0.71 H new ATOM 0 HG12 ILE A 20 4.002 -14.283 -4.347 1.00 0.69 H new ATOM 0 HG13 ILE A 20 3.387 -12.664 -4.613 1.00 0.69 H new ATOM 0 HG21 ILE A 20 6.840 -14.082 -4.171 1.00 0.79 H new ATOM 0 HG22 ILE A 20 7.043 -13.405 -2.537 1.00 0.79 H new ATOM 0 HG23 ILE A 20 5.827 -14.671 -2.832 1.00 0.79 H new ATOM 0 HD11 ILE A 20 4.242 -13.634 -6.730 1.00 1.00 H new ATOM 0 HD12 ILE A 20 5.216 -12.223 -6.253 1.00 1.00 H new ATOM 0 HD13 ILE A 20 5.841 -13.867 -5.984 1.00 1.00 H new ATOM 290 N LEU A 21 2.283 -11.722 -2.965 1.00 0.65 N ATOM 291 CA LEU A 21 1.156 -10.759 -3.181 1.00 0.65 C ATOM 292 C LEU A 21 0.768 -10.151 -1.831 1.00 0.67 C ATOM 293 O LEU A 21 0.662 -8.945 -1.690 1.00 0.66 O ATOM 294 CB LEU A 21 0.003 -11.587 -3.755 1.00 0.70 C ATOM 295 CG LEU A 21 0.059 -11.570 -5.284 1.00 0.75 C ATOM 296 CD1 LEU A 21 -0.787 -12.720 -5.832 1.00 0.88 C ATOM 297 CD2 LEU A 21 -0.496 -10.239 -5.801 1.00 0.89 C ATOM 0 H LEU A 21 2.069 -12.697 -3.175 1.00 0.65 H new ATOM 0 HA LEU A 21 1.419 -9.944 -3.856 1.00 0.65 H new ATOM 0 HB2 LEU A 21 0.065 -12.613 -3.392 1.00 0.70 H new ATOM 0 HB3 LEU A 21 -0.950 -11.185 -3.413 1.00 0.70 H new ATOM 0 HG LEU A 21 1.092 -11.685 -5.613 1.00 0.75 H new ATOM 0 HD11 LEU A 21 -0.750 -12.712 -6.921 1.00 0.88 H new ATOM 0 HD12 LEU A 21 -0.395 -13.668 -5.463 1.00 0.88 H new ATOM 0 HD13 LEU A 21 -1.819 -12.601 -5.503 1.00 0.88 H new ATOM 0 HD21 LEU A 21 -0.456 -10.227 -6.890 1.00 0.89 H new ATOM 0 HD22 LEU A 21 -1.530 -10.124 -5.474 1.00 0.89 H new ATOM 0 HD23 LEU A 21 0.102 -9.418 -5.407 1.00 0.89 H new ATOM 309 N ILE A 22 0.585 -10.980 -0.824 1.00 0.72 N ATOM 310 CA ILE A 22 0.239 -10.443 0.530 1.00 0.77 C ATOM 311 C ILE A 22 1.353 -9.495 0.993 1.00 0.75 C ATOM 312 O ILE A 22 1.099 -8.414 1.487 1.00 0.77 O ATOM 313 CB ILE A 22 0.139 -11.673 1.447 1.00 0.87 C ATOM 314 CG1 ILE A 22 -1.205 -12.381 1.213 1.00 0.94 C ATOM 315 CG2 ILE A 22 0.235 -11.244 2.917 1.00 0.98 C ATOM 316 CD1 ILE A 22 -2.358 -11.498 1.702 1.00 1.09 C ATOM 0 H ILE A 22 0.660 -11.995 -0.883 1.00 0.72 H new ATOM 0 HA ILE A 22 -0.693 -9.878 0.536 1.00 0.77 H new ATOM 0 HB ILE A 22 0.959 -12.353 1.217 1.00 0.87 H new ATOM 0 HG12 ILE A 22 -1.329 -12.601 0.153 1.00 0.94 H new ATOM 0 HG13 ILE A 22 -1.219 -13.335 1.740 1.00 0.94 H new ATOM 0 HG21 ILE A 22 0.163 -12.123 3.558 1.00 0.98 H new ATOM 0 HG22 ILE A 22 1.189 -10.746 3.089 1.00 0.98 H new ATOM 0 HG23 ILE A 22 -0.579 -10.558 3.150 1.00 0.98 H new ATOM 0 HD11 ILE A 22 -3.305 -12.009 1.531 1.00 1.09 H new ATOM 0 HD12 ILE A 22 -2.239 -11.301 2.767 1.00 1.09 H new ATOM 0 HD13 ILE A 22 -2.351 -10.555 1.156 1.00 1.09 H new ATOM 328 N ALA A 23 2.586 -9.894 0.812 1.00 0.73 N ATOM 329 CA ALA A 23 3.731 -9.018 1.214 1.00 0.75 C ATOM 330 C ALA A 23 3.699 -7.713 0.407 1.00 0.68 C ATOM 331 O ALA A 23 3.851 -6.639 0.956 1.00 0.69 O ATOM 332 CB ALA A 23 4.994 -9.828 0.902 1.00 0.80 C ATOM 0 H ALA A 23 2.851 -10.790 0.403 1.00 0.73 H new ATOM 0 HA ALA A 23 3.691 -8.740 2.267 1.00 0.75 H new ATOM 0 HB1 ALA A 23 5.875 -9.246 1.172 1.00 0.80 H new ATOM 0 HB2 ALA A 23 4.982 -10.756 1.474 1.00 0.80 H new ATOM 0 HB3 ALA A 23 5.024 -10.059 -0.163 1.00 0.80 H new ATOM 338 N ILE A 24 3.478 -7.796 -0.886 1.00 0.65 N ATOM 339 CA ILE A 24 3.406 -6.550 -1.715 1.00 0.62 C ATOM 340 C ILE A 24 2.240 -5.691 -1.216 1.00 0.61 C ATOM 341 O ILE A 24 2.381 -4.503 -1.004 1.00 0.61 O ATOM 342 CB ILE A 24 3.157 -7.025 -3.154 1.00 0.65 C ATOM 343 CG1 ILE A 24 4.458 -7.572 -3.748 1.00 0.72 C ATOM 344 CG2 ILE A 24 2.670 -5.854 -4.012 1.00 0.75 C ATOM 345 CD1 ILE A 24 4.144 -8.339 -5.034 1.00 0.82 C ATOM 0 H ILE A 24 3.345 -8.667 -1.399 1.00 0.65 H new ATOM 0 HA ILE A 24 4.313 -5.949 -1.655 1.00 0.62 H new ATOM 0 HB ILE A 24 2.399 -7.808 -3.142 1.00 0.65 H new ATOM 0 HG12 ILE A 24 5.147 -6.754 -3.958 1.00 0.72 H new ATOM 0 HG13 ILE A 24 4.951 -8.228 -3.031 1.00 0.72 H new ATOM 0 HG21 ILE A 24 2.495 -6.198 -5.031 1.00 0.75 H new ATOM 0 HG22 ILE A 24 1.742 -5.461 -3.598 1.00 0.75 H new ATOM 0 HG23 ILE A 24 3.426 -5.069 -4.019 1.00 0.75 H new ATOM 0 HD11 ILE A 24 5.068 -8.730 -5.459 1.00 0.82 H new ATOM 0 HD12 ILE A 24 3.470 -9.166 -4.809 1.00 0.82 H new ATOM 0 HD13 ILE A 24 3.670 -7.669 -5.751 1.00 0.82 H new ATOM 357 N ALA A 25 1.096 -6.297 -1.004 1.00 0.64 N ATOM 358 CA ALA A 25 -0.080 -5.529 -0.494 1.00 0.67 C ATOM 359 C ALA A 25 0.242 -4.949 0.885 1.00 0.66 C ATOM 360 O ALA A 25 -0.025 -3.797 1.158 1.00 0.67 O ATOM 361 CB ALA A 25 -1.222 -6.547 -0.412 1.00 0.77 C ATOM 0 H ALA A 25 0.928 -7.290 -1.163 1.00 0.64 H new ATOM 0 HA ALA A 25 -0.344 -4.690 -1.138 1.00 0.67 H new ATOM 0 HB1 ALA A 25 -2.122 -6.055 -0.044 1.00 0.77 H new ATOM 0 HB2 ALA A 25 -1.413 -6.960 -1.402 1.00 0.77 H new ATOM 0 HB3 ALA A 25 -0.944 -7.351 0.269 1.00 0.77 H new ATOM 367 N ALA A 26 0.841 -5.731 1.743 1.00 0.69 N ATOM 368 CA ALA A 26 1.210 -5.216 3.098 1.00 0.73 C ATOM 369 C ALA A 26 2.205 -4.061 2.943 1.00 0.69 C ATOM 370 O ALA A 26 2.063 -3.018 3.555 1.00 0.72 O ATOM 371 CB ALA A 26 1.853 -6.404 3.821 1.00 0.81 C ATOM 0 H ALA A 26 1.091 -6.704 1.566 1.00 0.69 H new ATOM 0 HA ALA A 26 0.354 -4.835 3.655 1.00 0.73 H new ATOM 0 HB1 ALA A 26 2.150 -6.101 4.825 1.00 0.81 H new ATOM 0 HB2 ALA A 26 1.135 -7.222 3.886 1.00 0.81 H new ATOM 0 HB3 ALA A 26 2.731 -6.735 3.267 1.00 0.81 H new ATOM 377 N LEU A 27 3.197 -4.234 2.100 1.00 0.65 N ATOM 378 CA LEU A 27 4.184 -3.141 1.866 1.00 0.66 C ATOM 379 C LEU A 27 3.453 -1.921 1.294 1.00 0.60 C ATOM 380 O LEU A 27 3.634 -0.807 1.754 1.00 0.63 O ATOM 381 CB LEU A 27 5.176 -3.723 0.852 1.00 0.69 C ATOM 382 CG LEU A 27 6.058 -2.608 0.285 1.00 0.76 C ATOM 383 CD1 LEU A 27 7.528 -2.996 0.431 1.00 1.00 C ATOM 384 CD2 LEU A 27 5.732 -2.406 -1.196 1.00 0.83 C ATOM 0 H LEU A 27 3.362 -5.087 1.566 1.00 0.65 H new ATOM 0 HA LEU A 27 4.692 -2.814 2.773 1.00 0.66 H new ATOM 0 HB2 LEU A 27 5.796 -4.481 1.331 1.00 0.69 H new ATOM 0 HB3 LEU A 27 4.636 -4.217 0.044 1.00 0.69 H new ATOM 0 HG LEU A 27 5.870 -1.683 0.831 1.00 0.76 H new ATOM 0 HD11 LEU A 27 8.156 -2.202 0.027 1.00 1.00 H new ATOM 0 HD12 LEU A 27 7.762 -3.143 1.485 1.00 1.00 H new ATOM 0 HD13 LEU A 27 7.716 -3.920 -0.115 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.359 -1.612 -1.602 1.00 0.83 H new ATOM 0 HD22 LEU A 27 5.921 -3.332 -1.740 1.00 0.83 H new ATOM 0 HD23 LEU A 27 4.683 -2.130 -1.303 1.00 0.83 H new ATOM 396 N GLY A 28 2.606 -2.133 0.311 1.00 0.56 N ATOM 397 CA GLY A 28 1.831 -1.000 -0.279 1.00 0.55 C ATOM 398 C GLY A 28 0.988 -0.352 0.820 1.00 0.57 C ATOM 399 O GLY A 28 0.920 0.857 0.929 1.00 0.60 O ATOM 0 H GLY A 28 2.420 -3.045 -0.106 1.00 0.56 H new ATOM 0 HA2 GLY A 28 2.509 -0.267 -0.716 1.00 0.55 H new ATOM 0 HA3 GLY A 28 1.190 -1.360 -1.083 1.00 0.55 H new ATOM 403 N ALA A 29 0.357 -1.153 1.650 1.00 0.62 N ATOM 404 CA ALA A 29 -0.469 -0.589 2.760 1.00 0.70 C ATOM 405 C ALA A 29 0.424 0.179 3.740 1.00 0.73 C ATOM 406 O ALA A 29 0.099 1.275 4.162 1.00 0.78 O ATOM 407 CB ALA A 29 -1.115 -1.801 3.437 1.00 0.79 C ATOM 0 H ALA A 29 0.381 -2.172 1.604 1.00 0.62 H new ATOM 0 HA ALA A 29 -1.221 0.115 2.403 1.00 0.70 H new ATOM 0 HB1 ALA A 29 -1.739 -1.465 4.265 1.00 0.79 H new ATOM 0 HB2 ALA A 29 -1.729 -2.337 2.714 1.00 0.79 H new ATOM 0 HB3 ALA A 29 -0.337 -2.464 3.815 1.00 0.79 H new ATOM 413 N LEU A 30 1.556 -0.379 4.084 1.00 0.74 N ATOM 414 CA LEU A 30 2.485 0.331 5.019 1.00 0.80 C ATOM 415 C LEU A 30 2.958 1.641 4.367 1.00 0.76 C ATOM 416 O LEU A 30 3.080 2.660 5.022 1.00 0.83 O ATOM 417 CB LEU A 30 3.642 -0.662 5.283 1.00 0.85 C ATOM 418 CG LEU A 30 4.957 -0.184 4.648 1.00 0.84 C ATOM 419 CD1 LEU A 30 5.571 0.932 5.496 1.00 0.97 C ATOM 420 CD2 LEU A 30 5.937 -1.355 4.583 1.00 0.90 C ATOM 0 H LEU A 30 1.878 -1.291 3.761 1.00 0.74 H new ATOM 0 HA LEU A 30 2.018 0.615 5.962 1.00 0.80 H new ATOM 0 HB2 LEU A 30 3.780 -0.783 6.357 1.00 0.85 H new ATOM 0 HB3 LEU A 30 3.380 -1.641 4.883 1.00 0.85 H new ATOM 0 HG LEU A 30 4.755 0.193 3.646 1.00 0.84 H new ATOM 0 HD11 LEU A 30 6.503 1.265 5.039 1.00 0.97 H new ATOM 0 HD12 LEU A 30 4.876 1.769 5.554 1.00 0.97 H new ATOM 0 HD13 LEU A 30 5.773 0.557 6.500 1.00 0.97 H new ATOM 0 HD21 LEU A 30 6.872 -1.022 4.133 1.00 0.90 H new ATOM 0 HD22 LEU A 30 6.130 -1.724 5.590 1.00 0.90 H new ATOM 0 HD23 LEU A 30 5.509 -2.155 3.979 1.00 0.90 H new ATOM 432 N ILE A 31 3.190 1.629 3.073 1.00 0.68 N ATOM 433 CA ILE A 31 3.620 2.882 2.377 1.00 0.68 C ATOM 434 C ILE A 31 2.429 3.845 2.303 1.00 0.65 C ATOM 435 O ILE A 31 2.539 5.008 2.653 1.00 0.73 O ATOM 436 CB ILE A 31 4.067 2.440 0.974 1.00 0.66 C ATOM 437 CG1 ILE A 31 5.416 1.722 1.072 1.00 0.75 C ATOM 438 CG2 ILE A 31 4.216 3.661 0.059 1.00 0.74 C ATOM 439 CD1 ILE A 31 5.739 1.054 -0.265 1.00 0.79 C ATOM 0 H ILE A 31 3.100 0.809 2.473 1.00 0.68 H new ATOM 0 HA ILE A 31 4.427 3.401 2.894 1.00 0.68 H new ATOM 0 HB ILE A 31 3.316 1.768 0.559 1.00 0.66 H new ATOM 0 HG12 ILE A 31 6.200 2.433 1.334 1.00 0.75 H new ATOM 0 HG13 ILE A 31 5.385 0.975 1.865 1.00 0.75 H new ATOM 0 HG21 ILE A 31 4.533 3.336 -0.932 1.00 0.74 H new ATOM 0 HG22 ILE A 31 3.259 4.178 -0.017 1.00 0.74 H new ATOM 0 HG23 ILE A 31 4.962 4.338 0.475 1.00 0.74 H new ATOM 0 HD11 ILE A 31 6.699 0.543 -0.194 1.00 0.79 H new ATOM 0 HD12 ILE A 31 4.961 0.331 -0.508 1.00 0.79 H new ATOM 0 HD13 ILE A 31 5.788 1.811 -1.048 1.00 0.79 H new ATOM 451 N LEU A 32 1.289 3.361 1.871 1.00 0.60 N ATOM 452 CA LEU A 32 0.078 4.235 1.793 1.00 0.62 C ATOM 453 C LEU A 32 -0.235 4.813 3.179 1.00 0.75 C ATOM 454 O LEU A 32 -0.477 5.998 3.322 1.00 0.81 O ATOM 455 CB LEU A 32 -1.055 3.319 1.321 1.00 0.68 C ATOM 456 CG LEU A 32 -2.285 4.163 0.976 1.00 0.79 C ATOM 457 CD1 LEU A 32 -2.634 3.977 -0.498 1.00 1.04 C ATOM 458 CD2 LEU A 32 -3.471 3.720 1.835 1.00 1.07 C ATOM 0 H LEU A 32 1.146 2.397 1.569 1.00 0.60 H new ATOM 0 HA LEU A 32 0.218 5.078 1.116 1.00 0.62 H new ATOM 0 HB2 LEU A 32 -0.736 2.749 0.449 1.00 0.68 H new ATOM 0 HB3 LEU A 32 -1.303 2.598 2.100 1.00 0.68 H new ATOM 0 HG LEU A 32 -2.066 5.213 1.171 1.00 0.79 H new ATOM 0 HD11 LEU A 32 -3.510 4.578 -0.743 1.00 1.04 H new ATOM 0 HD12 LEU A 32 -1.792 4.294 -1.114 1.00 1.04 H new ATOM 0 HD13 LEU A 32 -2.850 2.926 -0.691 1.00 1.04 H new ATOM 0 HD21 LEU A 32 -4.345 4.323 1.587 1.00 1.07 H new ATOM 0 HD22 LEU A 32 -3.688 2.669 1.642 1.00 1.07 H new ATOM 0 HD23 LEU A 32 -3.226 3.852 2.889 1.00 1.07 H new ATOM 470 N GLY A 33 -0.216 3.987 4.199 1.00 0.86 N ATOM 471 CA GLY A 33 -0.497 4.483 5.582 1.00 1.03 C ATOM 472 C GLY A 33 0.587 5.479 6.003 1.00 1.06 C ATOM 473 O GLY A 33 0.294 6.525 6.549 1.00 1.19 O ATOM 0 H GLY A 33 -0.017 2.989 4.132 1.00 0.86 H new ATOM 0 HA2 GLY A 33 -1.476 4.961 5.615 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -0.527 3.646 6.280 1.00 1.03 H new ATOM 477 N CYS A 34 1.838 5.163 5.750 1.00 1.01 N ATOM 478 CA CYS A 34 2.949 6.097 6.130 1.00 1.10 C ATOM 479 C CYS A 34 2.761 7.465 5.453 1.00 1.09 C ATOM 480 O CYS A 34 2.835 8.496 6.094 1.00 1.26 O ATOM 481 CB CYS A 34 4.231 5.420 5.634 1.00 1.04 C ATOM 482 SG CYS A 34 5.661 6.143 6.476 1.00 1.31 S ATOM 0 H CYS A 34 2.137 4.299 5.297 1.00 1.01 H new ATOM 0 HA CYS A 34 2.977 6.282 7.204 1.00 1.10 H new ATOM 0 HB2 CYS A 34 4.186 4.348 5.826 1.00 1.04 H new ATOM 0 HB3 CYS A 34 4.328 5.547 4.556 1.00 1.04 H new ATOM 0 HG CYS A 34 6.748 5.567 6.057 1.00 1.31 H new ATOM 488 N TRP A 35 2.514 7.484 4.162 1.00 0.95 N ATOM 489 CA TRP A 35 2.317 8.794 3.452 1.00 0.97 C ATOM 490 C TRP A 35 1.868 8.579 1.993 1.00 0.79 C ATOM 491 O TRP A 35 2.357 9.232 1.087 1.00 0.83 O ATOM 492 CB TRP A 35 3.689 9.482 3.497 1.00 1.15 C ATOM 493 CG TRP A 35 3.510 10.965 3.634 1.00 1.36 C ATOM 494 CD1 TRP A 35 3.109 11.795 2.645 1.00 1.42 C ATOM 495 CD2 TRP A 35 3.729 11.802 4.807 1.00 1.60 C ATOM 496 NE1 TRP A 35 3.067 13.090 3.136 1.00 1.66 N ATOM 497 CE2 TRP A 35 3.440 13.144 4.463 1.00 1.78 C ATOM 498 CE3 TRP A 35 4.146 11.531 6.123 1.00 1.73 C ATOM 499 CZ2 TRP A 35 3.560 14.180 5.391 1.00 2.06 C ATOM 500 CZ3 TRP A 35 4.268 12.570 7.060 1.00 2.02 C ATOM 501 CH2 TRP A 35 3.975 13.892 6.695 1.00 2.17 C ATOM 0 H TRP A 35 2.440 6.655 3.572 1.00 0.95 H new ATOM 0 HA TRP A 35 1.538 9.392 3.925 1.00 0.97 H new ATOM 0 HB2 TRP A 35 4.271 9.098 4.335 1.00 1.15 H new ATOM 0 HB3 TRP A 35 4.249 9.256 2.589 1.00 1.15 H new ATOM 0 HD1 TRP A 35 2.862 11.497 1.637 1.00 1.42 H new ATOM 0 HE1 TRP A 35 2.794 13.903 2.584 1.00 1.66 H new ATOM 0 HE3 TRP A 35 4.374 10.516 6.415 1.00 1.73 H new ATOM 0 HZ2 TRP A 35 3.334 15.196 5.104 1.00 2.06 H new ATOM 0 HZ3 TRP A 35 4.589 12.350 8.067 1.00 2.02 H new ATOM 0 HH2 TRP A 35 4.070 14.687 7.420 1.00 2.17 H new ATOM 512 N CYS A 36 0.938 7.675 1.766 1.00 0.71 N ATOM 513 CA CYS A 36 0.433 7.401 0.371 1.00 0.66 C ATOM 514 C CYS A 36 1.542 6.807 -0.518 1.00 0.75 C ATOM 515 O CYS A 36 1.415 5.707 -1.014 1.00 0.97 O ATOM 516 CB CYS A 36 -0.049 8.753 -0.172 1.00 0.64 C ATOM 517 SG CYS A 36 -1.788 8.622 -0.652 1.00 1.33 S ATOM 0 H CYS A 36 0.502 7.109 2.493 1.00 0.71 H new ATOM 0 HA CYS A 36 -0.371 6.666 0.378 1.00 0.66 H new ATOM 0 HB2 CYS A 36 0.073 9.526 0.586 1.00 0.64 H new ATOM 0 HB3 CYS A 36 0.555 9.049 -1.030 1.00 0.64 H new ATOM 0 HG CYS A 36 -1.898 7.819 -1.668 1.00 1.33 H new ATOM 523 N TYR A 37 2.622 7.524 -0.719 1.00 0.81 N ATOM 524 CA TYR A 37 3.741 7.001 -1.571 1.00 1.08 C ATOM 525 C TYR A 37 4.994 7.872 -1.395 1.00 1.28 C ATOM 526 O TYR A 37 6.026 7.403 -0.956 1.00 1.52 O ATOM 527 CB TYR A 37 3.221 7.072 -3.015 1.00 1.11 C ATOM 528 CG TYR A 37 3.265 5.694 -3.636 1.00 1.15 C ATOM 529 CD1 TYR A 37 4.457 4.958 -3.628 1.00 1.33 C ATOM 530 CD2 TYR A 37 2.113 5.150 -4.218 1.00 1.29 C ATOM 531 CE1 TYR A 37 4.496 3.680 -4.200 1.00 1.45 C ATOM 532 CE2 TYR A 37 2.153 3.871 -4.788 1.00 1.41 C ATOM 533 CZ TYR A 37 3.344 3.137 -4.778 1.00 1.41 C ATOM 534 OH TYR A 37 3.386 1.876 -5.337 1.00 1.60 O ATOM 0 H TYR A 37 2.779 8.453 -0.328 1.00 0.81 H new ATOM 0 HA TYR A 37 4.025 5.984 -1.299 1.00 1.08 H new ATOM 0 HB2 TYR A 37 2.201 7.455 -3.027 1.00 1.11 H new ATOM 0 HB3 TYR A 37 3.828 7.765 -3.598 1.00 1.11 H new ATOM 0 HD1 TYR A 37 5.346 5.376 -3.180 1.00 1.33 H new ATOM 0 HD2 TYR A 37 1.194 5.717 -4.227 1.00 1.29 H new ATOM 0 HE1 TYR A 37 5.416 3.114 -4.195 1.00 1.45 H new ATOM 0 HE2 TYR A 37 1.264 3.451 -5.235 1.00 1.41 H new ATOM 0 HH TYR A 37 2.536 1.417 -5.173 1.00 1.60 H new ATOM 544 N LEU A 38 4.907 9.138 -1.729 1.00 1.31 N ATOM 545 CA LEU A 38 6.082 10.050 -1.578 1.00 1.62 C ATOM 546 C LEU A 38 5.712 11.236 -0.675 1.00 1.62 C ATOM 547 O LEU A 38 6.207 11.365 0.431 1.00 1.63 O ATOM 548 CB LEU A 38 6.408 10.516 -3.005 1.00 1.97 C ATOM 549 CG LEU A 38 7.544 11.546 -2.974 1.00 2.33 C ATOM 550 CD1 LEU A 38 8.890 10.824 -3.005 1.00 2.62 C ATOM 551 CD2 LEU A 38 7.431 12.460 -4.194 1.00 2.66 C ATOM 0 H LEU A 38 4.067 9.580 -2.102 1.00 1.31 H new ATOM 0 HA LEU A 38 6.938 9.561 -1.113 1.00 1.62 H new ATOM 0 HB2 LEU A 38 6.697 9.662 -3.618 1.00 1.97 H new ATOM 0 HB3 LEU A 38 5.522 10.953 -3.465 1.00 1.97 H new ATOM 0 HG LEU A 38 7.472 12.140 -2.063 1.00 2.33 H new ATOM 0 HD11 LEU A 38 9.697 11.557 -2.983 1.00 2.62 H new ATOM 0 HD12 LEU A 38 8.971 10.169 -2.138 1.00 2.62 H new ATOM 0 HD13 LEU A 38 8.964 10.231 -3.916 1.00 2.62 H new ATOM 0 HD21 LEU A 38 8.237 13.193 -4.175 1.00 2.66 H new ATOM 0 HD22 LEU A 38 7.504 11.864 -5.103 1.00 2.66 H new ATOM 0 HD23 LEU A 38 6.471 12.976 -4.175 1.00 2.66 H new ATOM 563 N ARG A 39 4.843 12.093 -1.141 1.00 1.69 N ATOM 564 CA ARG A 39 4.423 13.280 -0.325 1.00 1.85 C ATOM 565 C ARG A 39 2.941 13.626 -0.571 1.00 1.80 C ATOM 566 O ARG A 39 2.545 14.771 -0.463 1.00 2.06 O ATOM 567 CB ARG A 39 5.324 14.425 -0.806 1.00 2.26 C ATOM 568 CG ARG A 39 6.640 14.420 -0.023 1.00 2.38 C ATOM 569 CD ARG A 39 6.383 14.838 1.426 1.00 2.40 C ATOM 570 NE ARG A 39 7.280 13.960 2.230 1.00 2.27 N ATOM 571 CZ ARG A 39 6.784 13.168 3.124 1.00 2.00 C ATOM 572 NH1 ARG A 39 6.382 11.984 2.788 1.00 1.69 N ATOM 573 NH2 ARG A 39 6.685 13.567 4.352 1.00 2.15 N ATOM 0 H ARG A 39 4.401 12.025 -2.058 1.00 1.69 H new ATOM 0 HA ARG A 39 4.522 13.091 0.744 1.00 1.85 H new ATOM 0 HB2 ARG A 39 5.525 14.317 -1.872 1.00 2.26 H new ATOM 0 HB3 ARG A 39 4.815 15.380 -0.672 1.00 2.26 H new ATOM 0 HG2 ARG A 39 7.086 13.426 -0.051 1.00 2.38 H new ATOM 0 HG3 ARG A 39 7.352 15.102 -0.487 1.00 2.38 H new ATOM 0 HD2 ARG A 39 6.614 15.892 1.582 1.00 2.40 H new ATOM 0 HD3 ARG A 39 5.338 14.696 1.701 1.00 2.40 H new ATOM 0 HE ARG A 39 8.288 13.984 2.075 1.00 2.27 H new ATOM 0 HH11 ARG A 39 6.457 11.676 1.818 1.00 1.69 H new ATOM 0 HH12 ARG A 39 5.991 11.359 3.493 1.00 1.69 H new ATOM 0 HH21 ARG A 39 6.998 14.503 4.611 1.00 2.15 H new ATOM 0 HH22 ARG A 39 6.294 12.946 5.060 1.00 2.15 H new ATOM 587 N LEU A 40 2.124 12.645 -0.895 1.00 1.53 N ATOM 588 CA LEU A 40 0.663 12.902 -1.150 1.00 1.55 C ATOM 589 C LEU A 40 0.469 14.073 -2.129 1.00 1.82 C ATOM 590 O LEU A 40 -0.399 14.908 -1.954 1.00 2.04 O ATOM 591 CB LEU A 40 0.066 13.230 0.222 1.00 1.69 C ATOM 592 CG LEU A 40 -1.110 12.295 0.510 1.00 1.59 C ATOM 593 CD1 LEU A 40 -0.862 11.558 1.825 1.00 1.67 C ATOM 594 CD2 LEU A 40 -2.394 13.118 0.617 1.00 2.03 C ATOM 0 H LEU A 40 2.409 11.671 -0.994 1.00 1.53 H new ATOM 0 HA LEU A 40 0.176 12.041 -1.609 1.00 1.55 H new ATOM 0 HB2 LEU A 40 0.827 13.122 0.995 1.00 1.69 H new ATOM 0 HB3 LEU A 40 -0.268 14.267 0.245 1.00 1.69 H new ATOM 0 HG LEU A 40 -1.209 11.570 -0.297 1.00 1.59 H new ATOM 0 HD11 LEU A 40 -1.699 10.891 2.032 1.00 1.67 H new ATOM 0 HD12 LEU A 40 0.056 10.975 1.748 1.00 1.67 H new ATOM 0 HD13 LEU A 40 -0.766 12.281 2.635 1.00 1.67 H new ATOM 0 HD21 LEU A 40 -3.235 12.455 0.822 1.00 2.03 H new ATOM 0 HD22 LEU A 40 -2.296 13.841 1.426 1.00 2.03 H new ATOM 0 HD23 LEU A 40 -2.568 13.645 -0.321 1.00 2.03 H new ATOM 606 N GLN A 41 1.269 14.129 -3.162 1.00 1.90 N ATOM 607 CA GLN A 41 1.136 15.234 -4.160 1.00 2.21 C ATOM 608 C GLN A 41 0.880 14.669 -5.570 1.00 2.25 C ATOM 609 O GLN A 41 1.250 15.267 -6.567 1.00 2.45 O ATOM 610 CB GLN A 41 2.470 15.993 -4.091 1.00 2.38 C ATOM 611 CG GLN A 41 3.631 15.082 -4.519 1.00 2.28 C ATOM 612 CD GLN A 41 4.671 15.900 -5.286 1.00 2.60 C ATOM 613 OE1 GLN A 41 4.678 15.910 -6.502 1.00 2.74 O ATOM 614 NE2 GLN A 41 5.555 16.592 -4.629 1.00 2.79 N ATOM 0 H GLN A 41 2.010 13.456 -3.359 1.00 1.90 H new ATOM 0 HA GLN A 41 0.291 15.888 -3.943 1.00 2.21 H new ATOM 0 HB2 GLN A 41 2.430 16.869 -4.738 1.00 2.38 H new ATOM 0 HB3 GLN A 41 2.638 16.353 -3.076 1.00 2.38 H new ATOM 0 HG2 GLN A 41 4.089 14.624 -3.642 1.00 2.28 H new ATOM 0 HG3 GLN A 41 3.258 14.271 -5.145 1.00 2.28 H new ATOM 0 HE21 GLN A 41 5.552 16.586 -3.609 1.00 2.79 H new ATOM 0 HE22 GLN A 41 6.251 17.141 -5.134 1.00 2.79 H new ATOM 623 N ARG A 42 0.249 13.522 -5.668 1.00 2.08 N ATOM 624 CA ARG A 42 -0.033 12.930 -7.011 1.00 2.17 C ATOM 625 C ARG A 42 -1.312 12.076 -6.951 1.00 2.03 C ATOM 626 O ARG A 42 -2.215 12.371 -6.193 1.00 1.99 O ATOM 627 CB ARG A 42 1.200 12.077 -7.309 1.00 2.14 C ATOM 628 CG ARG A 42 1.621 12.284 -8.767 1.00 2.42 C ATOM 629 CD ARG A 42 2.943 13.056 -8.817 1.00 2.60 C ATOM 630 NE ARG A 42 2.573 14.481 -8.552 1.00 2.69 N ATOM 631 CZ ARG A 42 3.071 15.427 -9.286 1.00 2.97 C ATOM 632 NH1 ARG A 42 2.614 15.624 -10.484 1.00 3.19 N ATOM 633 NH2 ARG A 42 4.013 16.176 -8.814 1.00 3.07 N ATOM 0 H ARG A 42 -0.082 12.972 -4.875 1.00 2.08 H new ATOM 0 HA ARG A 42 -0.204 13.678 -7.786 1.00 2.17 H new ATOM 0 HB2 ARG A 42 2.016 12.352 -6.641 1.00 2.14 H new ATOM 0 HB3 ARG A 42 0.980 11.025 -7.128 1.00 2.14 H new ATOM 0 HG2 ARG A 42 1.732 11.320 -9.264 1.00 2.42 H new ATOM 0 HG3 ARG A 42 0.848 12.833 -9.305 1.00 2.42 H new ATOM 0 HD2 ARG A 42 3.644 12.685 -8.069 1.00 2.60 H new ATOM 0 HD3 ARG A 42 3.426 12.948 -9.788 1.00 2.60 H new ATOM 0 HE ARG A 42 1.929 14.708 -7.794 1.00 2.69 H new ATOM 0 HH11 ARG A 42 1.864 15.035 -10.847 1.00 3.19 H new ATOM 0 HH12 ARG A 42 3.004 16.368 -11.063 1.00 3.19 H new ATOM 0 HH21 ARG A 42 4.362 16.022 -7.868 1.00 3.07 H new ATOM 0 HH22 ARG A 42 4.408 16.921 -9.388 1.00 3.07 H new ATOM 647 N ILE A 43 -1.391 11.021 -7.737 1.00 2.01 N ATOM 648 CA ILE A 43 -2.604 10.132 -7.728 1.00 1.90 C ATOM 649 C ILE A 43 -3.095 9.860 -6.300 1.00 1.66 C ATOM 650 O ILE A 43 -4.279 9.769 -6.049 1.00 1.66 O ATOM 651 CB ILE A 43 -2.146 8.823 -8.381 1.00 1.90 C ATOM 652 CG1 ILE A 43 -0.815 8.338 -7.782 1.00 1.82 C ATOM 653 CG2 ILE A 43 -1.966 9.043 -9.878 1.00 2.19 C ATOM 654 CD1 ILE A 43 -0.470 6.960 -8.354 1.00 1.82 C ATOM 0 H ILE A 43 -0.660 10.736 -8.389 1.00 2.01 H new ATOM 0 HA ILE A 43 -3.436 10.598 -8.256 1.00 1.90 H new ATOM 0 HB ILE A 43 -2.906 8.064 -8.196 1.00 1.90 H new ATOM 0 HG12 ILE A 43 -0.020 9.048 -8.011 1.00 1.82 H new ATOM 0 HG13 ILE A 43 -0.891 8.284 -6.696 1.00 1.82 H new ATOM 0 HG21 ILE A 43 -1.640 8.114 -10.346 1.00 2.19 H new ATOM 0 HG22 ILE A 43 -2.913 9.357 -10.316 1.00 2.19 H new ATOM 0 HG23 ILE A 43 -1.215 9.816 -10.045 1.00 2.19 H new ATOM 0 HD11 ILE A 43 0.473 6.616 -7.930 1.00 1.82 H new ATOM 0 HD12 ILE A 43 -1.261 6.253 -8.102 1.00 1.82 H new ATOM 0 HD13 ILE A 43 -0.377 7.029 -9.438 1.00 1.82 H new ATOM 666 N SER A 44 -2.177 9.735 -5.377 1.00 1.52 N ATOM 667 CA SER A 44 -2.534 9.470 -3.938 1.00 1.37 C ATOM 668 C SER A 44 -3.227 8.106 -3.779 1.00 1.19 C ATOM 669 O SER A 44 -2.641 7.166 -3.275 1.00 1.06 O ATOM 670 CB SER A 44 -3.464 10.622 -3.522 1.00 1.56 C ATOM 671 OG SER A 44 -4.186 10.252 -2.348 1.00 1.93 O ATOM 0 H SER A 44 -1.175 9.806 -5.557 1.00 1.52 H new ATOM 0 HA SER A 44 -1.646 9.428 -3.307 1.00 1.37 H new ATOM 0 HB2 SER A 44 -2.881 11.524 -3.334 1.00 1.56 H new ATOM 0 HB3 SER A 44 -4.158 10.853 -4.330 1.00 1.56 H new ATOM 0 HG SER A 44 -3.592 9.768 -1.737 1.00 1.93 H new ATOM 677 N GLN A 45 -4.462 7.984 -4.200 1.00 1.28 N ATOM 678 CA GLN A 45 -5.180 6.679 -4.064 1.00 1.20 C ATOM 679 C GLN A 45 -4.867 5.765 -5.261 1.00 1.11 C ATOM 680 O GLN A 45 -5.488 5.848 -6.306 1.00 1.31 O ATOM 681 CB GLN A 45 -6.665 7.048 -4.020 1.00 1.44 C ATOM 682 CG GLN A 45 -6.988 7.692 -2.666 1.00 1.60 C ATOM 683 CD GLN A 45 -7.540 9.104 -2.876 1.00 1.70 C ATOM 684 OE1 GLN A 45 -8.716 9.278 -3.119 1.00 1.97 O ATOM 685 NE2 GLN A 45 -6.741 10.127 -2.787 1.00 1.84 N ATOM 0 H GLN A 45 -5.004 8.732 -4.632 1.00 1.28 H new ATOM 0 HA GLN A 45 -4.876 6.129 -3.174 1.00 1.20 H new ATOM 0 HB2 GLN A 45 -6.904 7.737 -4.830 1.00 1.44 H new ATOM 0 HB3 GLN A 45 -7.277 6.158 -4.168 1.00 1.44 H new ATOM 0 HG2 GLN A 45 -7.716 7.084 -2.129 1.00 1.60 H new ATOM 0 HG3 GLN A 45 -6.090 7.732 -2.049 1.00 1.60 H new ATOM 0 HE21 GLN A 45 -5.752 9.985 -2.583 1.00 1.84 H new ATOM 0 HE22 GLN A 45 -7.104 11.071 -2.921 1.00 1.84 H new ATOM 694 N SER A 46 -3.900 4.894 -5.112 1.00 0.92 N ATOM 695 CA SER A 46 -3.527 3.961 -6.224 1.00 0.97 C ATOM 696 C SER A 46 -2.627 2.833 -5.692 1.00 0.87 C ATOM 697 O SER A 46 -1.632 2.481 -6.297 1.00 1.05 O ATOM 698 CB SER A 46 -2.775 4.824 -7.245 1.00 1.18 C ATOM 699 OG SER A 46 -3.706 5.441 -8.134 1.00 1.42 O ATOM 0 H SER A 46 -3.348 4.787 -4.261 1.00 0.92 H new ATOM 0 HA SER A 46 -4.400 3.484 -6.670 1.00 0.97 H new ATOM 0 HB2 SER A 46 -2.190 5.586 -6.730 1.00 1.18 H new ATOM 0 HB3 SER A 46 -2.073 4.209 -7.808 1.00 1.18 H new ATOM 0 HG SER A 46 -4.598 5.435 -7.729 1.00 1.42 H new ATOM 705 N GLU A 47 -2.972 2.270 -4.558 1.00 0.74 N ATOM 706 CA GLU A 47 -2.149 1.174 -3.972 1.00 0.72 C ATOM 707 C GLU A 47 -3.046 0.094 -3.346 1.00 0.65 C ATOM 708 O GLU A 47 -4.215 -0.021 -3.673 1.00 0.65 O ATOM 709 CB GLU A 47 -1.298 1.861 -2.896 1.00 0.80 C ATOM 710 CG GLU A 47 0.166 1.933 -3.357 1.00 1.05 C ATOM 711 CD GLU A 47 0.778 0.529 -3.457 1.00 1.08 C ATOM 712 OE1 GLU A 47 0.263 -0.383 -2.825 1.00 1.23 O ATOM 713 OE2 GLU A 47 1.765 0.394 -4.162 1.00 1.55 O ATOM 0 H GLU A 47 -3.795 2.527 -4.013 1.00 0.74 H new ATOM 0 HA GLU A 47 -1.540 0.670 -4.722 1.00 0.72 H new ATOM 0 HB2 GLU A 47 -1.678 2.864 -2.705 1.00 0.80 H new ATOM 0 HB3 GLU A 47 -1.367 1.310 -1.958 1.00 0.80 H new ATOM 0 HG2 GLU A 47 0.222 2.429 -4.326 1.00 1.05 H new ATOM 0 HG3 GLU A 47 0.743 2.537 -2.656 1.00 1.05 H new ATOM 720 N ASP A 48 -2.494 -0.695 -2.453 1.00 0.69 N ATOM 721 CA ASP A 48 -3.279 -1.780 -1.778 1.00 0.72 C ATOM 722 C ASP A 48 -3.836 -2.783 -2.810 1.00 0.69 C ATOM 723 O ASP A 48 -4.977 -3.205 -2.734 1.00 0.76 O ATOM 724 CB ASP A 48 -4.403 -1.052 -1.020 1.00 0.76 C ATOM 725 CG ASP A 48 -3.920 -0.685 0.386 1.00 0.93 C ATOM 726 OD1 ASP A 48 -3.830 -1.579 1.211 1.00 1.23 O ATOM 727 OD2 ASP A 48 -3.648 0.484 0.614 1.00 1.11 O ATOM 0 H ASP A 48 -1.519 -0.632 -2.159 1.00 0.69 H new ATOM 0 HA ASP A 48 -2.664 -2.372 -1.100 1.00 0.72 H new ATOM 0 HB2 ASP A 48 -4.697 -0.152 -1.561 1.00 0.76 H new ATOM 0 HB3 ASP A 48 -5.285 -1.689 -0.958 1.00 0.76 H new ATOM 732 N GLU A 49 -3.018 -3.179 -3.761 1.00 0.64 N ATOM 733 CA GLU A 49 -3.454 -4.172 -4.802 1.00 0.63 C ATOM 734 C GLU A 49 -4.787 -3.761 -5.456 1.00 0.67 C ATOM 735 O GLU A 49 -5.701 -4.557 -5.584 1.00 0.78 O ATOM 736 CB GLU A 49 -3.602 -5.496 -4.038 1.00 0.67 C ATOM 737 CG GLU A 49 -2.559 -6.501 -4.539 1.00 0.66 C ATOM 738 CD GLU A 49 -3.042 -7.133 -5.841 1.00 0.62 C ATOM 739 OE1 GLU A 49 -3.745 -8.125 -5.770 1.00 0.76 O ATOM 740 OE2 GLU A 49 -2.714 -6.605 -6.896 1.00 0.67 O ATOM 0 H GLU A 49 -2.057 -2.853 -3.862 1.00 0.64 H new ATOM 0 HA GLU A 49 -2.737 -4.242 -5.620 1.00 0.63 H new ATOM 0 HB2 GLU A 49 -3.474 -5.326 -2.969 1.00 0.67 H new ATOM 0 HB3 GLU A 49 -4.605 -5.898 -4.179 1.00 0.67 H new ATOM 0 HG2 GLU A 49 -1.604 -6.000 -4.698 1.00 0.66 H new ATOM 0 HG3 GLU A 49 -2.393 -7.273 -3.788 1.00 0.66 H new ATOM 747 N GLU A 50 -4.907 -2.529 -5.889 1.00 0.72 N ATOM 748 CA GLU A 50 -6.172 -2.087 -6.538 1.00 0.79 C ATOM 749 C GLU A 50 -6.172 -2.468 -8.020 1.00 0.79 C ATOM 750 O GLU A 50 -5.200 -2.291 -8.736 1.00 0.82 O ATOM 751 CB GLU A 50 -6.225 -0.567 -6.362 1.00 0.90 C ATOM 752 CG GLU A 50 -7.668 -0.147 -6.044 1.00 1.10 C ATOM 753 CD GLU A 50 -8.514 -0.164 -7.321 1.00 1.14 C ATOM 754 OE1 GLU A 50 -8.492 0.822 -8.033 1.00 1.69 O ATOM 755 OE2 GLU A 50 -9.176 -1.165 -7.563 1.00 1.31 O ATOM 0 H GLU A 50 -4.182 -1.815 -5.819 1.00 0.72 H new ATOM 0 HA GLU A 50 -7.044 -2.565 -6.091 1.00 0.79 H new ATOM 0 HB2 GLU A 50 -5.558 -0.258 -5.557 1.00 0.90 H new ATOM 0 HB3 GLU A 50 -5.881 -0.071 -7.270 1.00 0.90 H new ATOM 0 HG2 GLU A 50 -8.097 -0.823 -5.305 1.00 1.10 H new ATOM 0 HG3 GLU A 50 -7.677 0.851 -5.606 1.00 1.10 H new ATOM 762 N SER A 51 -7.261 -2.997 -8.476 1.00 0.80 N ATOM 763 CA SER A 51 -7.370 -3.410 -9.917 1.00 0.83 C ATOM 764 C SER A 51 -8.842 -3.498 -10.351 1.00 0.90 C ATOM 765 O SER A 51 -9.170 -4.157 -11.323 1.00 0.95 O ATOM 766 CB SER A 51 -6.711 -4.793 -9.991 1.00 0.77 C ATOM 767 OG SER A 51 -5.310 -4.692 -9.703 1.00 0.73 O ATOM 0 H SER A 51 -8.097 -3.168 -7.917 1.00 0.80 H new ATOM 0 HA SER A 51 -6.890 -2.689 -10.579 1.00 0.83 H new ATOM 0 HB2 SER A 51 -7.187 -5.469 -9.281 1.00 0.77 H new ATOM 0 HB3 SER A 51 -6.855 -5.220 -10.984 1.00 0.77 H new ATOM 0 HG SER A 51 -5.055 -3.747 -9.647 1.00 0.73 H new ATOM 773 N ILE A 52 -9.723 -2.833 -9.649 1.00 0.95 N ATOM 774 CA ILE A 52 -11.155 -2.852 -9.998 1.00 1.05 C ATOM 775 C ILE A 52 -11.593 -1.415 -10.214 1.00 1.18 C ATOM 776 O ILE A 52 -12.288 -1.112 -11.159 1.00 1.26 O ATOM 777 CB ILE A 52 -11.858 -3.431 -8.767 1.00 1.07 C ATOM 778 CG1 ILE A 52 -11.197 -4.744 -8.346 1.00 1.02 C ATOM 779 CG2 ILE A 52 -13.320 -3.689 -9.099 1.00 1.18 C ATOM 780 CD1 ILE A 52 -10.827 -4.676 -6.865 1.00 1.16 C ATOM 0 H ILE A 52 -9.494 -2.268 -8.831 1.00 0.95 H new ATOM 0 HA ILE A 52 -11.378 -3.432 -10.894 1.00 1.05 H new ATOM 0 HB ILE A 52 -11.781 -2.717 -7.947 1.00 1.07 H new ATOM 0 HG12 ILE A 52 -11.875 -5.579 -8.524 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -10.305 -4.924 -8.947 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -13.824 -4.101 -8.225 1.00 1.18 H new ATOM 0 HG22 ILE A 52 -13.799 -2.753 -9.386 1.00 1.18 H new ATOM 0 HG23 ILE A 52 -13.386 -4.398 -9.924 1.00 1.18 H new ATOM 0 HD11 ILE A 52 -10.356 -5.612 -6.564 1.00 1.16 H new ATOM 0 HD12 ILE A 52 -10.133 -3.851 -6.701 1.00 1.16 H new ATOM 0 HD13 ILE A 52 -11.728 -4.516 -6.272 1.00 1.16 H new ATOM 792 N VAL A 53 -11.176 -0.538 -9.320 1.00 1.22 N ATOM 793 CA VAL A 53 -11.510 0.937 -9.375 1.00 1.38 C ATOM 794 C VAL A 53 -13.028 1.215 -9.394 1.00 1.49 C ATOM 795 O VAL A 53 -13.480 2.195 -8.835 1.00 1.65 O ATOM 796 CB VAL A 53 -10.796 1.522 -10.622 1.00 1.41 C ATOM 797 CG1 VAL A 53 -9.427 0.855 -10.819 1.00 1.32 C ATOM 798 CG2 VAL A 53 -11.634 1.316 -11.891 1.00 1.47 C ATOM 0 H VAL A 53 -10.594 -0.793 -8.522 1.00 1.22 H new ATOM 0 HA VAL A 53 -11.157 1.424 -8.466 1.00 1.38 H new ATOM 0 HB VAL A 53 -10.666 2.591 -10.451 1.00 1.41 H new ATOM 0 HG11 VAL A 53 -8.940 1.277 -11.698 1.00 1.32 H new ATOM 0 HG12 VAL A 53 -8.807 1.031 -9.940 1.00 1.32 H new ATOM 0 HG13 VAL A 53 -9.562 -0.218 -10.959 1.00 1.32 H new ATOM 0 HG21 VAL A 53 -11.107 1.737 -12.747 1.00 1.47 H new ATOM 0 HG22 VAL A 53 -11.795 0.250 -12.052 1.00 1.47 H new ATOM 0 HG23 VAL A 53 -12.596 1.815 -11.777 1.00 1.47 H new ATOM 808 N GLY A 54 -13.810 0.381 -10.020 1.00 1.43 N ATOM 809 CA GLY A 54 -15.288 0.613 -10.064 1.00 1.56 C ATOM 810 C GLY A 54 -16.018 -0.643 -9.592 1.00 1.51 C ATOM 811 O GLY A 54 -16.905 -1.137 -10.260 1.00 1.55 O ATOM 0 H GLY A 54 -13.491 -0.457 -10.507 1.00 1.43 H new ATOM 0 HA2 GLY A 54 -15.552 1.459 -9.430 1.00 1.56 H new ATOM 0 HA3 GLY A 54 -15.597 0.866 -11.078 1.00 1.56 H new ATOM 815 N ASP A 55 -15.642 -1.169 -8.450 1.00 1.48 N ATOM 816 CA ASP A 55 -16.312 -2.406 -7.930 1.00 1.48 C ATOM 817 C ASP A 55 -17.821 -2.176 -7.740 1.00 1.64 C ATOM 818 O ASP A 55 -18.262 -1.091 -7.404 1.00 1.82 O ATOM 819 CB ASP A 55 -15.638 -2.695 -6.580 1.00 1.49 C ATOM 820 CG ASP A 55 -15.892 -4.151 -6.179 1.00 1.48 C ATOM 821 OD1 ASP A 55 -16.984 -4.440 -5.714 1.00 1.60 O ATOM 822 OD2 ASP A 55 -14.990 -4.955 -6.342 1.00 1.55 O ATOM 0 H ASP A 55 -14.901 -0.796 -7.856 1.00 1.48 H new ATOM 0 HA ASP A 55 -16.211 -3.240 -8.625 1.00 1.48 H new ATOM 0 HB2 ASP A 55 -14.566 -2.508 -6.650 1.00 1.49 H new ATOM 0 HB3 ASP A 55 -16.029 -2.023 -5.816 1.00 1.49 H new ATOM 827 N GLY A 56 -18.608 -3.203 -7.936 1.00 1.64 N ATOM 828 CA GLY A 56 -20.087 -3.082 -7.757 1.00 1.82 C ATOM 829 C GLY A 56 -20.508 -4.082 -6.690 1.00 1.85 C ATOM 830 O GLY A 56 -21.116 -3.733 -5.697 1.00 2.00 O ATOM 0 H GLY A 56 -18.286 -4.130 -8.215 1.00 1.64 H new ATOM 0 HA2 GLY A 56 -20.354 -2.069 -7.458 1.00 1.82 H new ATOM 0 HA3 GLY A 56 -20.603 -3.284 -8.695 1.00 1.82 H new ATOM 834 N GLU A 57 -20.156 -5.325 -6.879 1.00 1.74 N ATOM 835 CA GLU A 57 -20.491 -6.366 -5.871 1.00 1.80 C ATOM 836 C GLU A 57 -19.321 -7.359 -5.740 1.00 1.71 C ATOM 837 O GLU A 57 -19.515 -8.540 -5.515 1.00 1.75 O ATOM 838 CB GLU A 57 -21.777 -7.055 -6.372 1.00 1.85 C ATOM 839 CG GLU A 57 -21.672 -7.387 -7.871 1.00 2.10 C ATOM 840 CD GLU A 57 -23.021 -7.887 -8.416 1.00 2.13 C ATOM 841 OE1 GLU A 57 -24.015 -7.788 -7.713 1.00 2.71 O ATOM 842 OE2 GLU A 57 -23.031 -8.373 -9.539 1.00 1.86 O ATOM 0 H GLU A 57 -19.647 -5.664 -7.695 1.00 1.74 H new ATOM 0 HA GLU A 57 -20.654 -5.943 -4.880 1.00 1.80 H new ATOM 0 HB2 GLU A 57 -21.950 -7.969 -5.804 1.00 1.85 H new ATOM 0 HB3 GLU A 57 -22.634 -6.405 -6.198 1.00 1.85 H new ATOM 0 HG2 GLU A 57 -21.358 -6.501 -8.423 1.00 2.10 H new ATOM 0 HG3 GLU A 57 -20.907 -8.148 -8.027 1.00 2.10 H new ATOM 849 N THR A 58 -18.105 -6.869 -5.869 1.00 1.62 N ATOM 850 CA THR A 58 -16.886 -7.743 -5.750 1.00 1.57 C ATOM 851 C THR A 58 -17.030 -9.014 -6.601 1.00 1.49 C ATOM 852 O THR A 58 -16.543 -10.073 -6.248 1.00 1.55 O ATOM 853 CB THR A 58 -16.781 -8.080 -4.255 1.00 1.76 C ATOM 854 OG1 THR A 58 -17.001 -6.906 -3.479 1.00 1.90 O ATOM 855 CG2 THR A 58 -15.385 -8.622 -3.946 1.00 1.80 C ATOM 0 H THR A 58 -17.903 -5.886 -6.054 1.00 1.62 H new ATOM 0 HA THR A 58 -15.989 -7.243 -6.115 1.00 1.57 H new ATOM 0 HB THR A 58 -17.532 -8.830 -4.009 1.00 1.76 H new ATOM 0 HG1 THR A 58 -16.935 -7.126 -2.526 1.00 1.90 H new ATOM 0 HG21 THR A 58 -15.314 -8.860 -2.885 1.00 1.80 H new ATOM 0 HG22 THR A 58 -15.206 -9.523 -4.533 1.00 1.80 H new ATOM 0 HG23 THR A 58 -14.638 -7.870 -4.200 1.00 1.80 H new ATOM 863 N LYS A 59 -17.695 -8.912 -7.722 1.00 1.42 N ATOM 864 CA LYS A 59 -17.885 -10.085 -8.609 1.00 1.41 C ATOM 865 C LYS A 59 -18.150 -9.590 -10.037 1.00 1.31 C ATOM 866 O LYS A 59 -19.265 -9.640 -10.541 1.00 1.41 O ATOM 867 CB LYS A 59 -19.097 -10.798 -8.031 1.00 1.58 C ATOM 868 CG LYS A 59 -19.494 -11.947 -8.955 1.00 1.66 C ATOM 869 CD LYS A 59 -20.966 -12.332 -8.732 1.00 1.85 C ATOM 870 CE LYS A 59 -21.856 -11.077 -8.673 1.00 1.86 C ATOM 871 NZ LYS A 59 -21.655 -10.371 -9.976 1.00 1.71 N ATOM 0 H LYS A 59 -18.119 -8.049 -8.061 1.00 1.42 H new ATOM 0 HA LYS A 59 -17.021 -10.747 -8.658 1.00 1.41 H new ATOM 0 HB2 LYS A 59 -18.869 -11.179 -7.035 1.00 1.58 H new ATOM 0 HB3 LYS A 59 -19.927 -10.100 -7.923 1.00 1.58 H new ATOM 0 HG2 LYS A 59 -19.341 -11.655 -9.994 1.00 1.66 H new ATOM 0 HG3 LYS A 59 -18.854 -12.809 -8.769 1.00 1.66 H new ATOM 0 HD2 LYS A 59 -21.302 -12.984 -9.538 1.00 1.85 H new ATOM 0 HD3 LYS A 59 -21.063 -12.896 -7.804 1.00 1.85 H new ATOM 0 HE2 LYS A 59 -22.903 -11.347 -8.532 1.00 1.86 H new ATOM 0 HE3 LYS A 59 -21.576 -10.438 -7.835 1.00 1.86 H new ATOM 0 HZ1 LYS A 59 -22.443 -9.712 -10.139 1.00 1.71 H new ATOM 0 HZ2 LYS A 59 -20.760 -9.842 -9.950 1.00 1.71 H new ATOM 0 HZ3 LYS A 59 -21.622 -11.068 -10.747 1.00 1.71 H new ATOM 885 N GLU A 60 -17.126 -9.093 -10.669 1.00 1.19 N ATOM 886 CA GLU A 60 -17.261 -8.557 -12.060 1.00 1.16 C ATOM 887 C GLU A 60 -16.113 -9.065 -12.950 1.00 1.11 C ATOM 888 O GLU A 60 -15.083 -9.486 -12.455 1.00 1.09 O ATOM 889 CB GLU A 60 -17.172 -7.034 -11.902 1.00 1.17 C ATOM 890 CG GLU A 60 -18.431 -6.507 -11.202 1.00 1.24 C ATOM 891 CD GLU A 60 -18.098 -6.095 -9.765 1.00 1.37 C ATOM 892 OE1 GLU A 60 -17.263 -5.223 -9.595 1.00 1.68 O ATOM 893 OE2 GLU A 60 -18.690 -6.655 -8.856 1.00 1.49 O ATOM 0 H GLU A 60 -16.185 -9.032 -10.279 1.00 1.19 H new ATOM 0 HA GLU A 60 -18.191 -8.874 -12.532 1.00 1.16 H new ATOM 0 HB2 GLU A 60 -16.287 -6.771 -11.323 1.00 1.17 H new ATOM 0 HB3 GLU A 60 -17.065 -6.564 -12.880 1.00 1.17 H new ATOM 0 HG2 GLU A 60 -18.832 -5.654 -11.750 1.00 1.24 H new ATOM 0 HG3 GLU A 60 -19.204 -7.276 -11.199 1.00 1.24 H new ATOM 900 N PRO A 61 -16.329 -8.999 -14.244 1.00 1.15 N ATOM 901 CA PRO A 61 -15.292 -9.450 -15.216 1.00 1.18 C ATOM 902 C PRO A 61 -14.074 -8.505 -15.205 1.00 1.09 C ATOM 903 O PRO A 61 -12.957 -8.927 -15.441 1.00 1.11 O ATOM 904 CB PRO A 61 -16.023 -9.404 -16.559 1.00 1.34 C ATOM 905 CG PRO A 61 -17.128 -8.415 -16.365 1.00 1.34 C ATOM 906 CD PRO A 61 -17.538 -8.506 -14.920 1.00 1.22 C ATOM 0 HA PRO A 61 -14.892 -10.438 -14.987 1.00 1.18 H new ATOM 0 HB2 PRO A 61 -15.354 -9.095 -17.362 1.00 1.34 H new ATOM 0 HB3 PRO A 61 -16.414 -10.385 -16.829 1.00 1.34 H new ATOM 0 HG2 PRO A 61 -16.793 -7.407 -16.610 1.00 1.34 H new ATOM 0 HG3 PRO A 61 -17.969 -8.640 -17.021 1.00 1.34 H new ATOM 0 HD2 PRO A 61 -17.847 -7.536 -14.530 1.00 1.22 H new ATOM 0 HD3 PRO A 61 -18.378 -9.187 -14.784 1.00 1.22 H new ATOM 914 N PHE A 62 -14.287 -7.238 -14.928 1.00 1.07 N ATOM 915 CA PHE A 62 -13.152 -6.255 -14.895 1.00 1.05 C ATOM 916 C PHE A 62 -12.022 -6.749 -13.986 1.00 0.93 C ATOM 917 O PHE A 62 -10.922 -7.013 -14.432 1.00 0.90 O ATOM 918 CB PHE A 62 -13.755 -4.957 -14.342 1.00 1.15 C ATOM 919 CG PHE A 62 -13.804 -3.916 -15.432 1.00 1.46 C ATOM 920 CD1 PHE A 62 -14.905 -3.855 -16.294 1.00 1.87 C ATOM 921 CD2 PHE A 62 -12.747 -3.011 -15.580 1.00 1.83 C ATOM 922 CE1 PHE A 62 -14.947 -2.889 -17.303 1.00 2.29 C ATOM 923 CE2 PHE A 62 -12.791 -2.046 -16.589 1.00 2.28 C ATOM 924 CZ PHE A 62 -13.891 -1.986 -17.450 1.00 2.40 C ATOM 0 H PHE A 62 -15.203 -6.840 -14.722 1.00 1.07 H new ATOM 0 HA PHE A 62 -12.716 -6.116 -15.884 1.00 1.05 H new ATOM 0 HB2 PHE A 62 -14.758 -5.145 -13.959 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -13.158 -4.594 -13.506 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.721 -4.553 -16.180 1.00 1.87 H new ATOM 0 HD2 PHE A 62 -11.898 -3.059 -14.915 1.00 1.83 H new ATOM 0 HE1 PHE A 62 -15.796 -2.840 -17.969 1.00 2.29 H new ATOM 0 HE2 PHE A 62 -11.976 -1.347 -16.704 1.00 2.28 H new ATOM 0 HZ PHE A 62 -13.924 -1.240 -18.230 1.00 2.40 H new ATOM 934 N LEU A 63 -12.285 -6.877 -12.716 1.00 0.92 N ATOM 935 CA LEU A 63 -11.220 -7.358 -11.781 1.00 0.86 C ATOM 936 C LEU A 63 -10.818 -8.800 -12.123 1.00 0.80 C ATOM 937 O LEU A 63 -9.696 -9.207 -11.888 1.00 0.80 O ATOM 938 CB LEU A 63 -11.815 -7.252 -10.368 1.00 0.96 C ATOM 939 CG LEU A 63 -13.016 -8.193 -10.203 1.00 1.06 C ATOM 940 CD1 LEU A 63 -12.568 -9.491 -9.533 1.00 1.14 C ATOM 941 CD2 LEU A 63 -14.066 -7.514 -9.321 1.00 1.26 C ATOM 0 H LEU A 63 -13.185 -6.672 -12.283 1.00 0.92 H new ATOM 0 HA LEU A 63 -10.311 -6.762 -11.859 1.00 0.86 H new ATOM 0 HB2 LEU A 63 -11.052 -7.498 -9.629 1.00 0.96 H new ATOM 0 HB3 LEU A 63 -12.125 -6.225 -10.176 1.00 0.96 H new ATOM 0 HG LEU A 63 -13.437 -8.417 -11.183 1.00 1.06 H new ATOM 0 HD11 LEU A 63 -13.424 -10.156 -9.418 1.00 1.14 H new ATOM 0 HD12 LEU A 63 -11.812 -9.977 -10.150 1.00 1.14 H new ATOM 0 HD13 LEU A 63 -12.148 -9.268 -8.552 1.00 1.14 H new ATOM 0 HD21 LEU A 63 -14.923 -8.177 -9.199 1.00 1.26 H new ATOM 0 HD22 LEU A 63 -13.634 -7.296 -8.344 1.00 1.26 H new ATOM 0 HD23 LEU A 63 -14.390 -6.585 -9.790 1.00 1.26 H new ATOM 953 N LEU A 64 -11.717 -9.561 -12.702 1.00 0.84 N ATOM 954 CA LEU A 64 -11.385 -10.970 -13.087 1.00 0.90 C ATOM 955 C LEU A 64 -10.255 -10.966 -14.124 1.00 0.87 C ATOM 956 O LEU A 64 -9.248 -11.636 -13.959 1.00 0.88 O ATOM 957 CB LEU A 64 -12.675 -11.551 -13.682 1.00 1.03 C ATOM 958 CG LEU A 64 -12.865 -12.992 -13.199 1.00 1.35 C ATOM 959 CD1 LEU A 64 -13.864 -13.015 -12.044 1.00 1.70 C ATOM 960 CD2 LEU A 64 -13.403 -13.845 -14.348 1.00 1.80 C ATOM 0 H LEU A 64 -12.668 -9.266 -12.925 1.00 0.84 H new ATOM 0 HA LEU A 64 -11.043 -11.563 -12.239 1.00 0.90 H new ATOM 0 HB2 LEU A 64 -13.529 -10.943 -13.386 1.00 1.03 H new ATOM 0 HB3 LEU A 64 -12.628 -11.526 -14.771 1.00 1.03 H new ATOM 0 HG LEU A 64 -11.908 -13.391 -12.862 1.00 1.35 H new ATOM 0 HD11 LEU A 64 -13.999 -14.041 -11.700 1.00 1.70 H new ATOM 0 HD12 LEU A 64 -13.486 -12.404 -11.224 1.00 1.70 H new ATOM 0 HD13 LEU A 64 -14.821 -12.617 -12.382 1.00 1.70 H new ATOM 0 HD21 LEU A 64 -13.539 -14.871 -14.007 1.00 1.80 H new ATOM 0 HD22 LEU A 64 -14.360 -13.444 -14.682 1.00 1.80 H new ATOM 0 HD23 LEU A 64 -12.694 -13.829 -15.176 1.00 1.80 H new ATOM 972 N VAL A 65 -10.396 -10.195 -15.181 1.00 0.89 N ATOM 973 CA VAL A 65 -9.315 -10.131 -16.210 1.00 0.92 C ATOM 974 C VAL A 65 -8.138 -9.308 -15.671 1.00 0.84 C ATOM 975 O VAL A 65 -6.988 -9.612 -15.932 1.00 0.86 O ATOM 976 CB VAL A 65 -9.941 -9.475 -17.453 1.00 1.03 C ATOM 977 CG1 VAL A 65 -11.122 -10.315 -17.944 1.00 1.16 C ATOM 978 CG2 VAL A 65 -10.434 -8.057 -17.134 1.00 1.02 C ATOM 0 H VAL A 65 -11.211 -9.612 -15.371 1.00 0.89 H new ATOM 0 HA VAL A 65 -8.925 -11.118 -16.459 1.00 0.92 H new ATOM 0 HB VAL A 65 -9.176 -9.418 -18.228 1.00 1.03 H new ATOM 0 HG11 VAL A 65 -11.561 -9.846 -18.824 1.00 1.16 H new ATOM 0 HG12 VAL A 65 -10.775 -11.316 -18.201 1.00 1.16 H new ATOM 0 HG13 VAL A 65 -11.873 -10.383 -17.156 1.00 1.16 H new ATOM 0 HG21 VAL A 65 -10.872 -7.614 -18.028 1.00 1.02 H new ATOM 0 HG22 VAL A 65 -11.185 -8.102 -16.346 1.00 1.02 H new ATOM 0 HG23 VAL A 65 -9.595 -7.446 -16.801 1.00 1.02 H new ATOM 988 N GLN A 66 -8.420 -8.287 -14.896 1.00 0.80 N ATOM 989 CA GLN A 66 -7.320 -7.456 -14.309 1.00 0.77 C ATOM 990 C GLN A 66 -6.441 -8.335 -13.419 1.00 0.71 C ATOM 991 O GLN A 66 -5.231 -8.363 -13.553 1.00 0.75 O ATOM 992 CB GLN A 66 -8.018 -6.368 -13.481 1.00 0.82 C ATOM 993 CG GLN A 66 -7.318 -5.022 -13.704 1.00 1.00 C ATOM 994 CD GLN A 66 -8.241 -4.083 -14.480 1.00 1.18 C ATOM 995 OE1 GLN A 66 -8.035 -3.840 -15.649 1.00 1.49 O ATOM 996 NE2 GLN A 66 -9.256 -3.541 -13.874 1.00 1.40 N ATOM 0 H GLN A 66 -9.364 -7.993 -14.645 1.00 0.80 H new ATOM 0 HA GLN A 66 -6.678 -7.016 -15.072 1.00 0.77 H new ATOM 0 HB2 GLN A 66 -9.067 -6.296 -13.768 1.00 0.82 H new ATOM 0 HB3 GLN A 66 -7.994 -6.631 -12.423 1.00 0.82 H new ATOM 0 HG2 GLN A 66 -7.052 -4.576 -12.745 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -6.389 -5.171 -14.254 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -9.431 -3.745 -12.890 1.00 1.40 H new ATOM 0 HE22 GLN A 66 -9.877 -2.912 -14.383 1.00 1.40 H new ATOM 1005 N TYR A 67 -7.049 -9.077 -12.533 1.00 0.68 N ATOM 1006 CA TYR A 67 -6.265 -9.989 -11.648 1.00 0.67 C ATOM 1007 C TYR A 67 -5.634 -11.096 -12.492 1.00 0.71 C ATOM 1008 O TYR A 67 -4.482 -11.447 -12.313 1.00 0.74 O ATOM 1009 CB TYR A 67 -7.274 -10.566 -10.647 1.00 0.73 C ATOM 1010 CG TYR A 67 -6.705 -10.468 -9.254 1.00 0.64 C ATOM 1011 CD1 TYR A 67 -5.565 -11.204 -8.912 1.00 0.66 C ATOM 1012 CD2 TYR A 67 -7.312 -9.635 -8.307 1.00 0.68 C ATOM 1013 CE1 TYR A 67 -5.033 -11.108 -7.621 1.00 0.67 C ATOM 1014 CE2 TYR A 67 -6.777 -9.539 -7.016 1.00 0.70 C ATOM 1015 CZ TYR A 67 -5.639 -10.276 -6.676 1.00 0.66 C ATOM 1016 OH TYR A 67 -5.109 -10.178 -5.411 1.00 0.75 O ATOM 0 H TYR A 67 -8.058 -9.091 -12.383 1.00 0.68 H new ATOM 0 HA TYR A 67 -5.456 -9.474 -11.130 1.00 0.67 H new ATOM 0 HB2 TYR A 67 -8.216 -10.020 -10.707 1.00 0.73 H new ATOM 0 HB3 TYR A 67 -7.492 -11.606 -10.891 1.00 0.73 H new ATOM 0 HD1 TYR A 67 -5.096 -11.845 -9.644 1.00 0.66 H new ATOM 0 HD2 TYR A 67 -8.192 -9.067 -8.571 1.00 0.68 H new ATOM 0 HE1 TYR A 67 -4.154 -11.677 -7.355 1.00 0.67 H new ATOM 0 HE2 TYR A 67 -7.243 -8.896 -6.284 1.00 0.70 H new ATOM 0 HH TYR A 67 -4.793 -9.263 -5.259 1.00 0.75 H new ATOM 1026 N SER A 68 -6.378 -11.626 -13.426 1.00 0.79 N ATOM 1027 CA SER A 68 -5.828 -12.698 -14.317 1.00 0.91 C ATOM 1028 C SER A 68 -4.568 -12.187 -15.025 1.00 0.91 C ATOM 1029 O SER A 68 -3.612 -12.914 -15.200 1.00 0.99 O ATOM 1030 CB SER A 68 -6.930 -12.999 -15.338 1.00 1.01 C ATOM 1031 OG SER A 68 -8.028 -13.624 -14.681 1.00 1.08 O ATOM 0 H SER A 68 -7.346 -11.364 -13.613 1.00 0.79 H new ATOM 0 HA SER A 68 -5.551 -13.591 -13.758 1.00 0.91 H new ATOM 0 HB2 SER A 68 -7.257 -12.077 -15.819 1.00 1.01 H new ATOM 0 HB3 SER A 68 -6.545 -13.649 -16.124 1.00 1.01 H new ATOM 0 HG SER A 68 -8.365 -13.034 -13.975 1.00 1.08 H new ATOM 1037 N ALA A 69 -4.558 -10.935 -15.423 1.00 0.88 N ATOM 1038 CA ALA A 69 -3.353 -10.369 -16.107 1.00 0.94 C ATOM 1039 C ALA A 69 -2.306 -9.939 -15.069 1.00 0.87 C ATOM 1040 O ALA A 69 -1.116 -10.113 -15.260 1.00 0.94 O ATOM 1041 CB ALA A 69 -3.868 -9.159 -16.894 1.00 0.98 C ATOM 0 H ALA A 69 -5.333 -10.282 -15.303 1.00 0.88 H new ATOM 0 HA ALA A 69 -2.870 -11.097 -16.759 1.00 0.94 H new ATOM 0 HB1 ALA A 69 -3.039 -8.690 -17.424 1.00 0.98 H new ATOM 0 HB2 ALA A 69 -4.620 -9.486 -17.613 1.00 0.98 H new ATOM 0 HB3 ALA A 69 -4.312 -8.440 -16.206 1.00 0.98 H new ATOM 1047 N LYS A 70 -2.747 -9.383 -13.971 1.00 0.78 N ATOM 1048 CA LYS A 70 -1.787 -8.941 -12.909 1.00 0.74 C ATOM 1049 C LYS A 70 -1.016 -10.143 -12.348 1.00 0.72 C ATOM 1050 O LYS A 70 0.155 -10.043 -12.047 1.00 0.76 O ATOM 1051 CB LYS A 70 -2.647 -8.250 -11.827 1.00 0.70 C ATOM 1052 CG LYS A 70 -2.871 -9.178 -10.619 1.00 0.64 C ATOM 1053 CD LYS A 70 -3.210 -8.341 -9.380 1.00 0.65 C ATOM 1054 CE LYS A 70 -4.546 -7.624 -9.586 1.00 0.71 C ATOM 1055 NZ LYS A 70 -4.610 -6.589 -8.513 1.00 0.63 N ATOM 0 H LYS A 70 -3.731 -9.215 -13.761 1.00 0.78 H new ATOM 0 HA LYS A 70 -1.033 -8.256 -13.296 1.00 0.74 H new ATOM 0 HB2 LYS A 70 -2.157 -7.333 -11.499 1.00 0.70 H new ATOM 0 HB3 LYS A 70 -3.609 -7.962 -12.252 1.00 0.70 H new ATOM 0 HG2 LYS A 70 -3.680 -9.877 -10.830 1.00 0.64 H new ATOM 0 HG3 LYS A 70 -1.976 -9.773 -10.434 1.00 0.64 H new ATOM 0 HD2 LYS A 70 -3.263 -8.983 -8.500 1.00 0.65 H new ATOM 0 HD3 LYS A 70 -2.421 -7.612 -9.196 1.00 0.65 H new ATOM 0 HE2 LYS A 70 -4.599 -7.168 -10.575 1.00 0.71 H new ATOM 0 HE3 LYS A 70 -5.381 -8.320 -9.511 1.00 0.71 H new ATOM 0 HZ1 LYS A 70 -5.312 -6.872 -7.799 1.00 0.63 H new ATOM 0 HZ2 LYS A 70 -3.677 -6.497 -8.063 1.00 0.63 H new ATOM 0 HZ3 LYS A 70 -4.886 -5.676 -8.927 1.00 0.63 H new ATOM 1069 N GLY A 71 -1.667 -11.269 -12.206 1.00 0.73 N ATOM 1070 CA GLY A 71 -0.981 -12.490 -11.660 1.00 0.76 C ATOM 1071 C GLY A 71 0.365 -12.706 -12.360 1.00 0.82 C ATOM 1072 O GLY A 71 1.404 -12.620 -11.731 1.00 0.81 O ATOM 0 H GLY A 71 -2.650 -11.401 -12.445 1.00 0.73 H new ATOM 0 HA2 GLY A 71 -0.826 -12.378 -10.587 1.00 0.76 H new ATOM 0 HA3 GLY A 71 -1.616 -13.365 -11.801 1.00 0.76 H new ATOM 1076 N PRO A 72 0.312 -12.962 -13.647 1.00 0.92 N ATOM 1077 CA PRO A 72 1.560 -13.169 -14.428 1.00 1.02 C ATOM 1078 C PRO A 72 2.370 -11.864 -14.485 1.00 1.02 C ATOM 1079 O PRO A 72 3.582 -11.878 -14.380 1.00 1.07 O ATOM 1080 CB PRO A 72 1.056 -13.591 -15.808 1.00 1.15 C ATOM 1081 CG PRO A 72 -0.330 -13.039 -15.890 1.00 1.10 C ATOM 1082 CD PRO A 72 -0.885 -13.079 -14.492 1.00 0.98 C ATOM 0 HA PRO A 72 2.230 -13.912 -13.995 1.00 1.02 H new ATOM 0 HB2 PRO A 72 1.689 -13.191 -16.600 1.00 1.15 H new ATOM 0 HB3 PRO A 72 1.057 -14.676 -15.916 1.00 1.15 H new ATOM 0 HG2 PRO A 72 -0.320 -12.019 -16.275 1.00 1.10 H new ATOM 0 HG3 PRO A 72 -0.944 -13.630 -16.569 1.00 1.10 H new ATOM 0 HD2 PRO A 72 -1.584 -12.262 -14.314 1.00 0.98 H new ATOM 0 HD3 PRO A 72 -1.423 -14.007 -14.300 1.00 0.98 H new ATOM 1090 N CYS A 73 1.711 -10.733 -14.621 1.00 1.00 N ATOM 1091 CA CYS A 73 2.455 -9.434 -14.652 1.00 1.04 C ATOM 1092 C CYS A 73 3.190 -9.222 -13.324 1.00 0.98 C ATOM 1093 O CYS A 73 4.366 -8.904 -13.292 1.00 1.05 O ATOM 1094 CB CYS A 73 1.386 -8.357 -14.859 1.00 1.05 C ATOM 1095 SG CYS A 73 2.169 -6.839 -15.458 1.00 1.33 S ATOM 0 H CYS A 73 0.698 -10.656 -14.711 1.00 1.00 H new ATOM 0 HA CYS A 73 3.206 -9.407 -15.442 1.00 1.04 H new ATOM 0 HB2 CYS A 73 0.641 -8.702 -15.576 1.00 1.05 H new ATOM 0 HB3 CYS A 73 0.862 -8.164 -13.923 1.00 1.05 H new ATOM 0 HG CYS A 73 1.263 -5.924 -15.636 1.00 1.33 H new ATOM 1101 N VAL A 74 2.505 -9.421 -12.228 1.00 0.88 N ATOM 1102 CA VAL A 74 3.147 -9.258 -10.886 1.00 0.85 C ATOM 1103 C VAL A 74 4.214 -10.335 -10.702 1.00 0.86 C ATOM 1104 O VAL A 74 5.316 -10.055 -10.270 1.00 0.93 O ATOM 1105 CB VAL A 74 2.009 -9.408 -9.866 1.00 0.76 C ATOM 1106 CG1 VAL A 74 2.584 -9.559 -8.457 1.00 0.80 C ATOM 1107 CG2 VAL A 74 1.123 -8.161 -9.908 1.00 0.83 C ATOM 0 H VAL A 74 1.522 -9.691 -12.203 1.00 0.88 H new ATOM 0 HA VAL A 74 3.645 -8.295 -10.768 1.00 0.85 H new ATOM 0 HB VAL A 74 1.424 -10.293 -10.116 1.00 0.76 H new ATOM 0 HG11 VAL A 74 1.769 -9.665 -7.741 1.00 0.80 H new ATOM 0 HG12 VAL A 74 3.220 -10.443 -8.416 1.00 0.80 H new ATOM 0 HG13 VAL A 74 3.174 -8.677 -8.208 1.00 0.80 H new ATOM 0 HG21 VAL A 74 0.314 -8.265 -9.185 1.00 0.83 H new ATOM 0 HG22 VAL A 74 1.719 -7.282 -9.662 1.00 0.83 H new ATOM 0 HG23 VAL A 74 0.703 -8.046 -10.907 1.00 0.83 H new ATOM 1117 N GLU A 75 3.907 -11.556 -11.064 1.00 0.84 N ATOM 1118 CA GLU A 75 4.924 -12.654 -10.951 1.00 0.90 C ATOM 1119 C GLU A 75 6.168 -12.257 -11.753 1.00 1.01 C ATOM 1120 O GLU A 75 7.293 -12.419 -11.312 1.00 1.07 O ATOM 1121 CB GLU A 75 4.253 -13.891 -11.561 1.00 0.94 C ATOM 1122 CG GLU A 75 5.034 -15.156 -11.177 1.00 0.94 C ATOM 1123 CD GLU A 75 5.780 -15.697 -12.396 1.00 1.14 C ATOM 1124 OE1 GLU A 75 5.134 -15.997 -13.384 1.00 1.35 O ATOM 1125 OE2 GLU A 75 6.997 -15.803 -12.325 1.00 1.33 O ATOM 0 H GLU A 75 3.000 -11.842 -11.432 1.00 0.84 H new ATOM 0 HA GLU A 75 5.237 -12.844 -9.924 1.00 0.90 H new ATOM 0 HB2 GLU A 75 3.224 -13.968 -11.208 1.00 0.94 H new ATOM 0 HB3 GLU A 75 4.212 -13.795 -12.646 1.00 0.94 H new ATOM 0 HG2 GLU A 75 5.741 -14.929 -10.379 1.00 0.94 H new ATOM 0 HG3 GLU A 75 4.351 -15.913 -10.792 1.00 0.94 H new ATOM 1132 N ARG A 76 5.955 -11.708 -12.921 1.00 1.07 N ATOM 1133 CA ARG A 76 7.090 -11.256 -13.779 1.00 1.20 C ATOM 1134 C ARG A 76 7.867 -10.143 -13.070 1.00 1.21 C ATOM 1135 O ARG A 76 9.062 -10.234 -12.862 1.00 1.28 O ATOM 1136 CB ARG A 76 6.429 -10.716 -15.054 1.00 1.28 C ATOM 1137 CG ARG A 76 6.190 -11.862 -16.038 1.00 1.47 C ATOM 1138 CD ARG A 76 7.539 -12.362 -16.565 1.00 1.54 C ATOM 1139 NE ARG A 76 7.407 -13.854 -16.662 1.00 1.76 N ATOM 1140 CZ ARG A 76 7.011 -14.550 -15.637 1.00 2.16 C ATOM 1141 NH1 ARG A 76 7.847 -14.859 -14.692 1.00 2.60 N ATOM 1142 NH2 ARG A 76 5.783 -14.951 -15.573 1.00 2.63 N ATOM 0 H ARG A 76 5.030 -11.552 -13.322 1.00 1.07 H new ATOM 0 HA ARG A 76 7.797 -12.058 -13.993 1.00 1.20 H new ATOM 0 HB2 ARG A 76 5.484 -10.233 -14.808 1.00 1.28 H new ATOM 0 HB3 ARG A 76 7.065 -9.958 -15.512 1.00 1.28 H new ATOM 0 HG2 ARG A 76 5.654 -12.674 -15.546 1.00 1.47 H new ATOM 0 HG3 ARG A 76 5.566 -11.523 -16.865 1.00 1.47 H new ATOM 0 HD2 ARG A 76 7.766 -11.925 -17.537 1.00 1.54 H new ATOM 0 HD3 ARG A 76 8.350 -12.083 -15.892 1.00 1.54 H new ATOM 0 HE ARG A 76 7.630 -14.326 -17.539 1.00 1.76 H new ATOM 0 HH11 ARG A 76 8.819 -14.556 -14.752 1.00 2.60 H new ATOM 0 HH12 ARG A 76 7.531 -15.405 -13.890 1.00 2.60 H new ATOM 0 HH21 ARG A 76 5.132 -14.721 -16.324 1.00 2.63 H new ATOM 0 HH22 ARG A 76 5.466 -15.497 -14.772 1.00 2.63 H new ATOM 1156 N LYS A 77 7.181 -9.096 -12.697 1.00 1.19 N ATOM 1157 CA LYS A 77 7.848 -7.954 -11.990 1.00 1.25 C ATOM 1158 C LYS A 77 8.550 -8.439 -10.717 1.00 1.18 C ATOM 1159 O LYS A 77 9.728 -8.217 -10.521 1.00 1.28 O ATOM 1160 CB LYS A 77 6.710 -6.989 -11.639 1.00 1.27 C ATOM 1161 CG LYS A 77 6.706 -5.821 -12.628 1.00 1.46 C ATOM 1162 CD LYS A 77 6.572 -4.504 -11.856 1.00 1.82 C ATOM 1163 CE LYS A 77 7.648 -3.515 -12.326 1.00 2.38 C ATOM 1164 NZ LYS A 77 8.452 -3.187 -11.106 1.00 2.82 N ATOM 0 H LYS A 77 6.180 -8.978 -12.851 1.00 1.19 H new ATOM 0 HA LYS A 77 8.613 -7.483 -12.607 1.00 1.25 H new ATOM 0 HB2 LYS A 77 5.754 -7.511 -11.673 1.00 1.27 H new ATOM 0 HB3 LYS A 77 6.835 -6.617 -10.622 1.00 1.27 H new ATOM 0 HG2 LYS A 77 7.626 -5.821 -13.212 1.00 1.46 H new ATOM 0 HG3 LYS A 77 5.881 -5.929 -13.332 1.00 1.46 H new ATOM 0 HD2 LYS A 77 5.581 -4.079 -12.013 1.00 1.82 H new ATOM 0 HD3 LYS A 77 6.675 -4.687 -10.786 1.00 1.82 H new ATOM 0 HE2 LYS A 77 8.274 -3.956 -13.102 1.00 2.38 H new ATOM 0 HE3 LYS A 77 7.198 -2.618 -12.752 1.00 2.38 H new ATOM 0 HZ1 LYS A 77 8.952 -2.287 -11.251 1.00 2.82 H new ATOM 0 HZ2 LYS A 77 7.819 -3.103 -10.285 1.00 2.82 H new ATOM 0 HZ3 LYS A 77 9.145 -3.943 -10.933 1.00 2.82 H new ATOM 1178 N ALA A 78 7.822 -9.100 -9.859 1.00 1.05 N ATOM 1179 CA ALA A 78 8.410 -9.617 -8.582 1.00 1.02 C ATOM 1180 C ALA A 78 9.662 -10.457 -8.853 1.00 1.06 C ATOM 1181 O ALA A 78 10.673 -10.308 -8.196 1.00 1.11 O ATOM 1182 CB ALA A 78 7.305 -10.478 -7.966 1.00 0.95 C ATOM 0 H ALA A 78 6.832 -9.308 -9.987 1.00 1.05 H new ATOM 0 HA ALA A 78 8.724 -8.809 -7.921 1.00 1.02 H new ATOM 0 HB1 ALA A 78 7.654 -10.898 -7.023 1.00 0.95 H new ATOM 0 HB2 ALA A 78 6.423 -9.864 -7.786 1.00 0.95 H new ATOM 0 HB3 ALA A 78 7.050 -11.287 -8.651 1.00 0.95 H new ATOM 1188 N LYS A 79 9.599 -11.331 -9.815 1.00 1.10 N ATOM 1189 CA LYS A 79 10.787 -12.188 -10.134 1.00 1.21 C ATOM 1190 C LYS A 79 11.885 -11.362 -10.823 1.00 1.35 C ATOM 1191 O LYS A 79 13.054 -11.519 -10.537 1.00 1.48 O ATOM 1192 CB LYS A 79 10.255 -13.272 -11.074 1.00 1.26 C ATOM 1193 CG LYS A 79 9.543 -14.351 -10.259 1.00 1.25 C ATOM 1194 CD LYS A 79 9.851 -15.725 -10.858 1.00 1.44 C ATOM 1195 CE LYS A 79 9.306 -16.817 -9.938 1.00 1.68 C ATOM 1196 NZ LYS A 79 8.040 -17.283 -10.582 1.00 1.79 N ATOM 0 H LYS A 79 8.778 -11.494 -10.399 1.00 1.10 H new ATOM 0 HA LYS A 79 11.237 -12.611 -9.236 1.00 1.21 H new ATOM 0 HB2 LYS A 79 9.567 -12.835 -11.798 1.00 1.26 H new ATOM 0 HB3 LYS A 79 11.076 -13.712 -11.640 1.00 1.26 H new ATOM 0 HG2 LYS A 79 9.870 -14.313 -9.220 1.00 1.25 H new ATOM 0 HG3 LYS A 79 8.468 -14.174 -10.261 1.00 1.25 H new ATOM 0 HD2 LYS A 79 9.402 -15.811 -11.847 1.00 1.44 H new ATOM 0 HD3 LYS A 79 10.927 -15.845 -10.985 1.00 1.44 H new ATOM 0 HE2 LYS A 79 10.019 -17.635 -9.835 1.00 1.68 H new ATOM 0 HE3 LYS A 79 9.118 -16.430 -8.937 1.00 1.68 H new ATOM 0 HZ1 LYS A 79 7.300 -17.385 -9.859 1.00 1.79 H new ATOM 0 HZ2 LYS A 79 7.736 -16.588 -11.293 1.00 1.79 H new ATOM 0 HZ3 LYS A 79 8.202 -18.201 -11.043 1.00 1.79 H new ATOM 1210 N LEU A 80 11.519 -10.494 -11.732 1.00 1.40 N ATOM 1211 CA LEU A 80 12.542 -9.667 -12.446 1.00 1.57 C ATOM 1212 C LEU A 80 13.195 -8.647 -11.500 1.00 1.57 C ATOM 1213 O LEU A 80 14.388 -8.418 -11.546 1.00 1.70 O ATOM 1214 CB LEU A 80 11.768 -8.955 -13.560 1.00 1.68 C ATOM 1215 CG LEU A 80 12.748 -8.263 -14.512 1.00 1.93 C ATOM 1216 CD1 LEU A 80 12.958 -9.135 -15.747 1.00 2.24 C ATOM 1217 CD2 LEU A 80 12.180 -6.909 -14.942 1.00 2.09 C ATOM 0 H LEU A 80 10.553 -10.321 -12.012 1.00 1.40 H new ATOM 0 HA LEU A 80 13.355 -10.280 -12.835 1.00 1.57 H new ATOM 0 HB2 LEU A 80 11.159 -9.674 -14.109 1.00 1.68 H new ATOM 0 HB3 LEU A 80 11.085 -8.222 -13.130 1.00 1.68 H new ATOM 0 HG LEU A 80 13.699 -8.113 -14.002 1.00 1.93 H new ATOM 0 HD11 LEU A 80 13.655 -8.643 -16.425 1.00 2.24 H new ATOM 0 HD12 LEU A 80 13.364 -10.101 -15.446 1.00 2.24 H new ATOM 0 HD13 LEU A 80 12.004 -9.285 -16.253 1.00 2.24 H new ATOM 0 HD21 LEU A 80 12.880 -6.419 -15.619 1.00 2.09 H new ATOM 0 HD22 LEU A 80 11.228 -7.059 -15.450 1.00 2.09 H new ATOM 0 HD23 LEU A 80 12.027 -6.283 -14.063 1.00 2.09 H new ATOM 1229 N MET A 81 12.418 -8.027 -10.657 1.00 1.49 N ATOM 1230 CA MET A 81 12.980 -7.009 -9.710 1.00 1.55 C ATOM 1231 C MET A 81 13.444 -7.664 -8.395 1.00 1.41 C ATOM 1232 O MET A 81 14.284 -7.131 -7.699 1.00 1.45 O ATOM 1233 CB MET A 81 11.820 -6.040 -9.454 1.00 1.62 C ATOM 1234 CG MET A 81 12.351 -4.608 -9.403 1.00 1.82 C ATOM 1235 SD MET A 81 10.974 -3.461 -9.147 1.00 1.98 S ATOM 1236 CE MET A 81 11.955 -2.091 -8.487 1.00 2.69 C ATOM 0 H MET A 81 11.412 -8.178 -10.579 1.00 1.49 H new ATOM 0 HA MET A 81 13.858 -6.510 -10.121 1.00 1.55 H new ATOM 0 HB2 MET A 81 11.073 -6.134 -10.243 1.00 1.62 H new ATOM 0 HB3 MET A 81 11.325 -6.289 -8.515 1.00 1.62 H new ATOM 0 HG2 MET A 81 13.077 -4.507 -8.596 1.00 1.82 H new ATOM 0 HG3 MET A 81 12.870 -4.368 -10.331 1.00 1.82 H new ATOM 0 HE1 MET A 81 11.298 -1.253 -8.253 1.00 2.69 H new ATOM 0 HE2 MET A 81 12.468 -2.414 -7.581 1.00 2.69 H new ATOM 0 HE3 MET A 81 12.690 -1.779 -9.229 1.00 2.69 H new ATOM 1246 N THR A 82 12.891 -8.805 -8.049 1.00 1.27 N ATOM 1247 CA THR A 82 13.273 -9.503 -6.772 1.00 1.16 C ATOM 1248 C THR A 82 13.130 -8.551 -5.576 1.00 1.19 C ATOM 1249 O THR A 82 14.091 -8.275 -4.879 1.00 1.24 O ATOM 1250 CB THR A 82 14.736 -9.942 -6.934 1.00 1.20 C ATOM 1251 OG1 THR A 82 14.913 -10.590 -8.187 1.00 1.42 O ATOM 1252 CG2 THR A 82 15.099 -10.918 -5.818 1.00 1.23 C ATOM 0 H THR A 82 12.183 -9.289 -8.602 1.00 1.27 H new ATOM 0 HA THR A 82 12.624 -10.358 -6.584 1.00 1.16 H new ATOM 0 HB THR A 82 15.378 -9.062 -6.885 1.00 1.20 H new ATOM 0 HG1 THR A 82 15.849 -10.866 -8.284 1.00 1.42 H new ATOM 0 HG21 THR A 82 16.137 -11.231 -5.931 1.00 1.23 H new ATOM 0 HG22 THR A 82 14.970 -10.430 -4.852 1.00 1.23 H new ATOM 0 HG23 THR A 82 14.449 -11.791 -5.873 1.00 1.23 H new ATOM 1260 N PRO A 83 11.922 -8.087 -5.367 1.00 1.24 N ATOM 1261 CA PRO A 83 11.648 -7.163 -4.241 1.00 1.34 C ATOM 1262 C PRO A 83 11.518 -7.927 -2.920 1.00 1.33 C ATOM 1263 O PRO A 83 10.958 -7.421 -1.965 1.00 1.47 O ATOM 1264 CB PRO A 83 10.311 -6.545 -4.604 1.00 1.49 C ATOM 1265 CG PRO A 83 9.638 -7.556 -5.481 1.00 1.46 C ATOM 1266 CD PRO A 83 10.713 -8.369 -6.149 1.00 1.31 C ATOM 0 HA PRO A 83 12.446 -6.433 -4.102 1.00 1.34 H new ATOM 0 HB2 PRO A 83 9.717 -6.339 -3.713 1.00 1.49 H new ATOM 0 HB3 PRO A 83 10.444 -5.597 -5.125 1.00 1.49 H new ATOM 0 HG2 PRO A 83 8.983 -8.198 -4.892 1.00 1.46 H new ATOM 0 HG3 PRO A 83 9.014 -7.062 -6.225 1.00 1.46 H new ATOM 0 HD2 PRO A 83 10.472 -9.432 -6.139 1.00 1.31 H new ATOM 0 HD3 PRO A 83 10.839 -8.081 -7.193 1.00 1.31 H new ATOM 1274 N ASN A 84 12.024 -9.131 -2.843 1.00 1.25 N ATOM 1275 CA ASN A 84 11.912 -9.905 -1.567 1.00 1.39 C ATOM 1276 C ASN A 84 12.878 -9.348 -0.509 1.00 1.49 C ATOM 1277 O ASN A 84 13.571 -10.088 0.164 1.00 1.59 O ATOM 1278 CB ASN A 84 12.272 -11.353 -1.926 1.00 1.39 C ATOM 1279 CG ASN A 84 11.416 -11.832 -3.099 1.00 1.41 C ATOM 1280 OD1 ASN A 84 11.934 -12.168 -4.142 1.00 1.41 O ATOM 1281 ND2 ASN A 84 10.120 -11.873 -2.982 1.00 1.63 N ATOM 0 H ASN A 84 12.507 -9.611 -3.603 1.00 1.25 H new ATOM 0 HA ASN A 84 10.911 -9.837 -1.142 1.00 1.39 H new ATOM 0 HB2 ASN A 84 13.329 -11.420 -2.186 1.00 1.39 H new ATOM 0 HB3 ASN A 84 12.115 -12.000 -1.063 1.00 1.39 H new ATOM 0 HD21 ASN A 84 9.547 -12.187 -3.765 1.00 1.63 H new ATOM 0 HD22 ASN A 84 9.678 -11.592 -2.107 1.00 1.63 H new ATOM 1288 N GLY A 85 12.922 -8.045 -0.353 1.00 1.56 N ATOM 1289 CA GLY A 85 13.833 -7.431 0.660 1.00 1.76 C ATOM 1290 C GLY A 85 13.357 -7.786 2.071 1.00 1.93 C ATOM 1291 O GLY A 85 14.075 -8.425 2.817 1.00 2.07 O ATOM 0 H GLY A 85 12.363 -7.380 -0.887 1.00 1.56 H new ATOM 0 HA2 GLY A 85 14.852 -7.788 0.510 1.00 1.76 H new ATOM 0 HA3 GLY A 85 13.853 -6.348 0.535 1.00 1.76 H new ATOM 1295 N PRO A 86 12.156 -7.366 2.396 1.00 2.04 N ATOM 1296 CA PRO A 86 11.595 -7.659 3.743 1.00 2.36 C ATOM 1297 C PRO A 86 11.339 -9.159 3.917 1.00 2.42 C ATOM 1298 O PRO A 86 11.424 -9.684 5.012 1.00 2.76 O ATOM 1299 CB PRO A 86 10.298 -6.849 3.775 1.00 2.53 C ATOM 1300 CG PRO A 86 9.922 -6.673 2.338 1.00 2.29 C ATOM 1301 CD PRO A 86 11.211 -6.601 1.565 1.00 2.04 C ATOM 0 HA PRO A 86 12.269 -7.392 4.557 1.00 2.36 H new ATOM 0 HB2 PRO A 86 9.518 -7.373 4.327 1.00 2.53 H new ATOM 0 HB3 PRO A 86 10.444 -5.887 4.266 1.00 2.53 H new ATOM 0 HG2 PRO A 86 9.309 -7.505 1.993 1.00 2.29 H new ATOM 0 HG3 PRO A 86 9.335 -5.765 2.199 1.00 2.29 H new ATOM 0 HD2 PRO A 86 11.107 -7.037 0.571 1.00 2.04 H new ATOM 0 HD3 PRO A 86 11.540 -5.571 1.429 1.00 2.04 H new ATOM 1309 N GLU A 87 11.047 -9.854 2.849 1.00 2.19 N ATOM 1310 CA GLU A 87 10.805 -11.330 2.949 1.00 2.34 C ATOM 1311 C GLU A 87 12.034 -12.029 3.551 1.00 2.59 C ATOM 1312 O GLU A 87 11.917 -12.995 4.278 1.00 2.95 O ATOM 1313 CB GLU A 87 10.566 -11.799 1.506 1.00 2.06 C ATOM 1314 CG GLU A 87 9.136 -11.445 1.068 1.00 2.06 C ATOM 1315 CD GLU A 87 9.167 -10.274 0.086 1.00 1.82 C ATOM 1316 OE1 GLU A 87 9.611 -9.206 0.479 1.00 1.99 O ATOM 1317 OE2 GLU A 87 8.752 -10.466 -1.045 1.00 2.00 O ATOM 0 H GLU A 87 10.965 -9.466 1.909 1.00 2.19 H new ATOM 0 HA GLU A 87 9.959 -11.566 3.594 1.00 2.34 H new ATOM 0 HB2 GLU A 87 11.287 -11.328 0.838 1.00 2.06 H new ATOM 0 HB3 GLU A 87 10.721 -12.876 1.434 1.00 2.06 H new ATOM 0 HG2 GLU A 87 8.665 -12.310 0.601 1.00 2.06 H new ATOM 0 HG3 GLU A 87 8.534 -11.185 1.938 1.00 2.06 H new ATOM 1324 N VAL A 88 13.206 -11.542 3.248 1.00 2.52 N ATOM 1325 CA VAL A 88 14.451 -12.162 3.793 1.00 2.91 C ATOM 1326 C VAL A 88 15.106 -11.252 4.861 1.00 3.15 C ATOM 1327 O VAL A 88 15.963 -11.692 5.610 1.00 3.57 O ATOM 1328 CB VAL A 88 15.350 -12.345 2.556 1.00 2.80 C ATOM 1329 CG1 VAL A 88 15.981 -11.011 2.144 1.00 2.80 C ATOM 1330 CG2 VAL A 88 16.453 -13.359 2.864 1.00 3.47 C ATOM 0 H VAL A 88 13.357 -10.736 2.642 1.00 2.52 H new ATOM 0 HA VAL A 88 14.266 -13.107 4.304 1.00 2.91 H new ATOM 0 HB VAL A 88 14.736 -12.710 1.733 1.00 2.80 H new ATOM 0 HG11 VAL A 88 16.612 -11.162 1.268 1.00 2.80 H new ATOM 0 HG12 VAL A 88 15.195 -10.295 1.905 1.00 2.80 H new ATOM 0 HG13 VAL A 88 16.586 -10.626 2.965 1.00 2.80 H new ATOM 0 HG21 VAL A 88 17.087 -13.485 1.986 1.00 3.47 H new ATOM 0 HG22 VAL A 88 17.056 -12.999 3.698 1.00 3.47 H new ATOM 0 HG23 VAL A 88 16.004 -14.316 3.128 1.00 3.47 H new ATOM 1340 N HIS A 89 14.715 -9.992 4.940 1.00 2.97 N ATOM 1341 CA HIS A 89 15.317 -9.068 5.955 1.00 3.29 C ATOM 1342 C HIS A 89 14.325 -7.941 6.295 1.00 3.29 C ATOM 1343 O HIS A 89 14.148 -7.006 5.533 1.00 3.16 O ATOM 1344 CB HIS A 89 16.576 -8.511 5.275 1.00 3.23 C ATOM 1345 CG HIS A 89 17.801 -9.058 5.954 1.00 3.69 C ATOM 1346 ND1 HIS A 89 17.933 -10.400 6.257 1.00 3.93 N ATOM 1347 CD2 HIS A 89 18.954 -8.458 6.390 1.00 4.08 C ATOM 1348 CE1 HIS A 89 19.130 -10.567 6.850 1.00 4.41 C ATOM 1349 NE2 HIS A 89 19.794 -9.413 6.955 1.00 4.52 N ATOM 0 H HIS A 89 14.004 -9.569 4.343 1.00 2.97 H new ATOM 0 HA HIS A 89 15.553 -9.568 6.894 1.00 3.29 H new ATOM 0 HB2 HIS A 89 16.581 -8.782 4.219 1.00 3.23 H new ATOM 0 HB3 HIS A 89 16.576 -7.422 5.324 1.00 3.23 H new ATOM 0 HD1 HIS A 89 17.248 -11.131 6.066 1.00 3.93 H new ATOM 0 HD2 HIS A 89 19.177 -7.404 6.308 1.00 4.08 H new ATOM 0 HE1 HIS A 89 19.507 -11.517 7.198 1.00 4.41 H new ATOM 1357 N GLY A 90 13.670 -8.032 7.431 1.00 3.67 N ATOM 1358 CA GLY A 90 12.680 -6.977 7.824 1.00 3.84 C ATOM 1359 C GLY A 90 12.813 -6.671 9.317 1.00 4.34 C ATOM 1360 O GLY A 90 12.346 -7.472 10.110 1.00 4.72 O ATOM 1361 OXT GLY A 90 13.375 -5.639 9.640 1.00 4.68 O ATOM 0 H GLY A 90 13.779 -8.792 8.103 1.00 3.67 H new ATOM 0 HA2 GLY A 90 12.849 -6.071 7.241 1.00 3.84 H new ATOM 0 HA3 GLY A 90 11.668 -7.314 7.601 1.00 3.84 H new TER 1365 GLY A 90