USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 77 CYS SG : rot 180:sc= 0.0426 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 72 ASN : amide:sc= 1.32 K(o=2.2,f=-6.1!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.918 K(o=2.2,f=0.52) USER MOD Set 3.1: A 42 HIS : +bothHN:sc= 0.45 K(o=1.1,f=-8.9!) USER MOD Set 3.2: A 45 ASN : amide:sc= 0.694 K(o=1.1,f=-9.8!) USER MOD Set 4.1: A 13 THR OG1 : rot -140:sc= 0.67 USER MOD Set 4.2: A 69 LYS NZ :NH3+ -156:sc= 0.363! (180deg=-0.866) USER MOD Single : A 5 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 2.17 (180deg=2.13) USER MOD Single : A 19 TYR OH : rot -19:sc= 1.07 USER MOD Single : A 20 ASN : amide:sc= 0.237 K(o=0.24,f=-3.2) USER MOD Single : A 21 GLN : amide:sc= 0.535 K(o=0.53,f=-5.3!) USER MOD Single : A 24 THR OG1 : rot 93:sc= 1.31 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.134 (180deg=-1.85!) USER MOD Single : A 26 SER OG : rot -128:sc= 1.3 USER MOD Single : A 41 GLN : amide:sc= 2.28 K(o=2.3,f=-6.2!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.0945 USER MOD Single : A 47 GLN : amide:sc= 0.258 X(o=0.26,f=-0.2) USER MOD Single : A 49 MET CE :methyl -165:sc= -0.0121 (180deg=-0.267) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 61 LYS NZ :NH3+ -152:sc= 0.942 (180deg=-0.885) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.0482 USER MOD Single : A 64 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.48) USER MOD Single : A 81 THR OG1 : rot 70:sc= 1.15 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0613) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -2.608 7.941 12.688 1.00 0.00 N ATOM 15 CA ALA A 2 -3.266 6.749 12.168 1.00 0.00 C ATOM 16 C ALA A 2 -4.770 7.042 12.085 1.00 0.00 C ATOM 17 O ALA A 2 -5.387 7.255 13.126 1.00 0.00 O ATOM 18 CB ALA A 2 -2.970 5.522 13.038 1.00 0.00 C ATOM 0 HA ALA A 2 -2.883 6.511 11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.476 4.651 12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.895 5.342 13.059 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.328 5.700 14.052 1.00 0.00 H new ATOM 24 N PRO A 3 -5.359 7.134 10.882 1.00 0.00 N ATOM 25 CA PRO A 3 -6.763 7.474 10.721 1.00 0.00 C ATOM 26 C PRO A 3 -7.664 6.313 11.116 1.00 0.00 C ATOM 27 O PRO A 3 -7.251 5.156 11.115 1.00 0.00 O ATOM 28 CB PRO A 3 -6.952 7.827 9.242 1.00 0.00 C ATOM 29 CG PRO A 3 -5.783 7.141 8.531 1.00 0.00 C ATOM 30 CD PRO A 3 -4.700 6.991 9.598 1.00 0.00 C ATOM 0 HA PRO A 3 -7.035 8.308 11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.910 7.467 8.868 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.933 8.906 9.086 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.079 6.171 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.428 7.737 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.211 6.020 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.926 7.748 9.473 1.00 0.00 H new ATOM 38 N ALA A 4 -8.927 6.631 11.403 1.00 0.00 N ATOM 39 CA ALA A 4 -9.940 5.615 11.623 1.00 0.00 C ATOM 40 C ALA A 4 -10.088 4.768 10.357 1.00 0.00 C ATOM 41 O ALA A 4 -10.067 3.543 10.405 1.00 0.00 O ATOM 42 CB ALA A 4 -11.266 6.275 12.012 1.00 0.00 C ATOM 0 H ALA A 4 -9.267 7.589 11.487 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.641 4.962 12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.021 5.506 12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.131 6.851 12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.591 6.938 11.210 1.00 0.00 H new ATOM 48 N ASN A 5 -10.161 5.436 9.202 1.00 0.00 N ATOM 49 CA ASN A 5 -10.164 4.789 7.893 1.00 0.00 C ATOM 50 C ASN A 5 -8.721 4.559 7.458 1.00 0.00 C ATOM 51 O ASN A 5 -8.301 4.999 6.390 1.00 0.00 O ATOM 52 CB ASN A 5 -10.968 5.591 6.853 1.00 0.00 C ATOM 53 CG ASN A 5 -10.750 7.092 6.946 1.00 0.00 C ATOM 54 OD1 ASN A 5 -11.619 7.839 7.377 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.555 7.531 6.581 1.00 0.00 N ATOM 0 H ASN A 5 -10.220 6.453 9.153 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.669 3.826 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.694 5.253 5.854 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.029 5.377 6.982 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.332 8.524 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.858 6.876 6.227 1.00 0.00 H new ATOM 62 N ALA A 6 -7.965 3.857 8.297 1.00 0.00 N ATOM 63 CA ALA A 6 -6.699 3.243 7.932 1.00 0.00 C ATOM 64 C ALA A 6 -6.970 1.871 7.327 1.00 0.00 C ATOM 65 O ALA A 6 -7.790 1.119 7.848 1.00 0.00 O ATOM 66 CB ALA A 6 -5.821 3.092 9.176 1.00 0.00 C ATOM 0 H ALA A 6 -8.224 3.698 9.271 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.182 3.871 7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.873 2.631 8.898 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.634 4.074 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.330 2.463 9.906 1.00 0.00 H new ATOM 72 N VAL A 7 -6.259 1.519 6.255 1.00 0.00 N ATOM 73 CA VAL A 7 -6.186 0.134 5.831 1.00 0.00 C ATOM 74 C VAL A 7 -5.347 -0.602 6.864 1.00 0.00 C ATOM 75 O VAL A 7 -4.139 -0.375 6.980 1.00 0.00 O ATOM 76 CB VAL A 7 -5.578 -0.014 4.435 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.498 -1.488 4.019 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.409 0.723 3.384 1.00 0.00 C ATOM 0 H VAL A 7 -5.733 2.172 5.674 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.190 -0.284 5.765 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.578 0.416 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.062 -1.562 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.876 -2.033 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.499 -1.918 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.950 0.598 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.419 0.314 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.451 1.784 3.632 1.00 0.00 H new ATOM 88 N ALA A 8 -6.014 -1.479 7.603 1.00 0.00 N ATOM 89 CA ALA A 8 -5.404 -2.339 8.592 1.00 0.00 C ATOM 90 C ALA A 8 -4.703 -3.498 7.890 1.00 0.00 C ATOM 91 O ALA A 8 -5.177 -3.971 6.858 1.00 0.00 O ATOM 92 CB ALA A 8 -6.483 -2.864 9.539 1.00 0.00 C ATOM 0 H ALA A 8 -7.022 -1.610 7.524 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.668 -1.779 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.027 -3.513 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.970 -2.025 10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.222 -3.429 8.971 1.00 0.00 H new ATOM 98 N ALA A 9 -3.592 -3.974 8.451 1.00 0.00 N ATOM 99 CA ALA A 9 -2.906 -5.167 7.960 1.00 0.00 C ATOM 100 C ALA A 9 -3.889 -6.323 7.719 1.00 0.00 C ATOM 101 O ALA A 9 -3.806 -7.014 6.707 1.00 0.00 O ATOM 102 CB ALA A 9 -1.822 -5.574 8.961 1.00 0.00 C ATOM 0 H ALA A 9 -3.143 -3.543 9.259 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.444 -4.935 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.308 -6.464 8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.105 -4.760 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.280 -5.788 9.927 1.00 0.00 H new ATOM 108 N ASP A 10 -4.825 -6.517 8.650 1.00 0.00 N ATOM 109 CA ASP A 10 -5.828 -7.573 8.653 1.00 0.00 C ATOM 110 C ASP A 10 -7.148 -7.142 7.999 1.00 0.00 C ATOM 111 O ASP A 10 -8.146 -7.851 8.129 1.00 0.00 O ATOM 112 CB ASP A 10 -6.061 -8.003 10.112 1.00 0.00 C ATOM 113 CG ASP A 10 -6.576 -6.852 10.967 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.887 -5.806 10.958 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.629 -7.032 11.613 1.00 0.00 O ATOM 0 H ASP A 10 -4.904 -5.907 9.464 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.458 -8.407 8.056 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.777 -8.824 10.139 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.129 -8.379 10.533 1.00 0.00 H new ATOM 120 N ASP A 11 -7.184 -6.019 7.266 1.00 0.00 N ATOM 121 CA ASP A 11 -8.357 -5.659 6.473 1.00 0.00 C ATOM 122 C ASP A 11 -8.682 -6.812 5.512 1.00 0.00 C ATOM 123 O ASP A 11 -7.789 -7.504 5.028 1.00 0.00 O ATOM 124 CB ASP A 11 -8.104 -4.325 5.752 1.00 0.00 C ATOM 125 CG ASP A 11 -9.158 -3.876 4.752 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.221 -4.517 4.588 1.00 0.00 O ATOM 127 OD2 ASP A 11 -8.905 -2.854 4.082 1.00 0.00 O ATOM 0 H ASP A 11 -6.415 -5.351 7.209 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.229 -5.510 7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.998 -3.546 6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.149 -4.396 5.231 1.00 0.00 H new ATOM 132 N ALA A 12 -9.958 -7.008 5.190 1.00 0.00 N ATOM 133 CA ALA A 12 -10.375 -8.045 4.259 1.00 0.00 C ATOM 134 C ALA A 12 -9.782 -7.723 2.890 1.00 0.00 C ATOM 135 O ALA A 12 -9.222 -8.580 2.204 1.00 0.00 O ATOM 136 CB ALA A 12 -11.904 -8.108 4.205 1.00 0.00 C ATOM 0 H ALA A 12 -10.727 -6.453 5.567 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.017 -9.022 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.212 -8.886 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.294 -8.336 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.296 -7.147 3.873 1.00 0.00 H new ATOM 142 N THR A 13 -9.867 -6.446 2.517 1.00 0.00 N ATOM 143 CA THR A 13 -9.264 -5.959 1.297 1.00 0.00 C ATOM 144 C THR A 13 -7.744 -6.159 1.359 1.00 0.00 C ATOM 145 O THR A 13 -7.138 -6.600 0.386 1.00 0.00 O ATOM 146 CB THR A 13 -9.670 -4.494 1.119 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.068 -4.354 1.320 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.321 -3.966 -0.273 1.00 0.00 C ATOM 0 H THR A 13 -10.355 -5.731 3.056 1.00 0.00 H new ATOM 0 HA THR A 13 -9.613 -6.514 0.426 1.00 0.00 H new ATOM 0 HB THR A 13 -9.115 -3.914 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.431 -3.722 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.627 -2.923 -0.354 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.245 -4.042 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.841 -4.556 -1.027 1.00 0.00 H new ATOM 156 N ALA A 14 -7.117 -5.891 2.510 1.00 0.00 N ATOM 157 CA ALA A 14 -5.685 -6.116 2.652 1.00 0.00 C ATOM 158 C ALA A 14 -5.333 -7.586 2.465 1.00 0.00 C ATOM 159 O ALA A 14 -4.344 -7.903 1.817 1.00 0.00 O ATOM 160 CB ALA A 14 -5.171 -5.642 4.008 1.00 0.00 C ATOM 0 H ALA A 14 -7.576 -5.523 3.343 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.200 -5.531 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.099 -5.827 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.363 -4.575 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.684 -6.185 4.802 1.00 0.00 H new ATOM 166 N ILE A 15 -6.144 -8.482 3.019 1.00 0.00 N ATOM 167 CA ILE A 15 -5.946 -9.919 2.950 1.00 0.00 C ATOM 168 C ILE A 15 -6.035 -10.361 1.490 1.00 0.00 C ATOM 169 O ILE A 15 -5.210 -11.150 1.026 1.00 0.00 O ATOM 170 CB ILE A 15 -6.941 -10.611 3.894 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.402 -10.443 5.324 1.00 0.00 C ATOM 172 CG2 ILE A 15 -7.126 -12.096 3.551 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.440 -10.782 6.389 1.00 0.00 C ATOM 0 H ILE A 15 -6.979 -8.217 3.542 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.955 -10.213 3.295 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.925 -10.154 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.530 -11.083 5.456 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.067 -9.415 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.838 -12.544 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.503 -12.190 2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.168 -12.610 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.004 -10.645 7.379 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.303 -10.125 6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.756 -11.818 6.272 1.00 0.00 H new ATOM 185 N ALA A 16 -7.003 -9.832 0.737 1.00 0.00 N ATOM 186 CA ALA A 16 -7.045 -10.035 -0.706 1.00 0.00 C ATOM 187 C ALA A 16 -5.748 -9.537 -1.361 1.00 0.00 C ATOM 188 O ALA A 16 -5.062 -10.307 -2.038 1.00 0.00 O ATOM 189 CB ALA A 16 -8.282 -9.357 -1.303 1.00 0.00 C ATOM 0 H ALA A 16 -7.764 -9.262 1.105 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.122 -11.103 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.300 -9.517 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.181 -9.783 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.246 -8.288 -1.096 1.00 0.00 H new ATOM 195 N LEU A 17 -5.398 -8.272 -1.120 1.00 0.00 N ATOM 196 CA LEU A 17 -4.303 -7.566 -1.789 1.00 0.00 C ATOM 197 C LEU A 17 -2.924 -7.963 -1.261 1.00 0.00 C ATOM 198 O LEU A 17 -1.919 -7.618 -1.872 1.00 0.00 O ATOM 199 CB LEU A 17 -4.575 -6.057 -1.762 1.00 0.00 C ATOM 200 CG LEU A 17 -5.866 -5.657 -2.503 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.029 -4.137 -2.415 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.854 -6.067 -3.982 1.00 0.00 C ATOM 0 H LEU A 17 -5.883 -7.693 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.273 -7.875 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.641 -5.725 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.730 -5.534 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.695 -6.180 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.939 -3.838 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.094 -3.838 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.170 -3.652 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.788 -5.760 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.017 -5.584 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.748 -7.149 -4.059 1.00 0.00 H new ATOM 214 N LYS A 18 -2.858 -8.732 -0.173 1.00 0.00 N ATOM 215 CA LYS A 18 -1.632 -9.092 0.513 1.00 0.00 C ATOM 216 C LYS A 18 -0.916 -7.828 0.982 1.00 0.00 C ATOM 217 O LYS A 18 0.312 -7.737 0.957 1.00 0.00 O ATOM 218 CB LYS A 18 -0.758 -9.987 -0.366 1.00 0.00 C ATOM 219 CG LYS A 18 -1.539 -11.107 -1.064 1.00 0.00 C ATOM 220 CD LYS A 18 -2.007 -12.172 -0.064 1.00 0.00 C ATOM 221 CE LYS A 18 -2.935 -13.189 -0.733 1.00 0.00 C ATOM 222 NZ LYS A 18 -4.270 -12.615 -0.993 1.00 0.00 N ATOM 0 H LYS A 18 -3.689 -9.131 0.264 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.866 -9.680 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.266 -9.373 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.027 -10.430 0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.402 -10.684 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.911 -11.571 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.142 -12.686 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.526 -11.692 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.493 -13.524 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.034 -14.068 -0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.846 -13.301 -1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.736 -12.396 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.170 -11.743 -1.551 1.00 0.00 H new ATOM 236 N TYR A 19 -1.707 -6.838 1.403 1.00 0.00 N ATOM 237 CA TYR A 19 -1.152 -5.582 1.861 1.00 0.00 C ATOM 238 C TYR A 19 -0.520 -5.779 3.231 1.00 0.00 C ATOM 239 O TYR A 19 -0.997 -6.579 4.033 1.00 0.00 O ATOM 240 CB TYR A 19 -2.200 -4.458 1.854 1.00 0.00 C ATOM 241 CG TYR A 19 -1.954 -3.294 2.806 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.417 -3.381 4.133 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.291 -2.123 2.387 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.394 -2.257 4.968 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.194 -1.022 3.264 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.854 -1.051 4.502 1.00 0.00 C ATOM 247 OH TYR A 19 -2.007 0.096 5.226 1.00 0.00 O ATOM 0 H TYR A 19 -2.725 -6.890 1.433 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.374 -5.264 1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.269 -4.062 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.170 -4.894 2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.792 -4.321 4.509 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.859 -2.069 1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.792 -2.320 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.612 -0.157 2.982 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.747 -0.013 5.859 1.00 0.00 H new ATOM 257 N ASN A 20 0.510 -4.988 3.525 1.00 0.00 N ATOM 258 CA ASN A 20 0.851 -4.689 4.902 1.00 0.00 C ATOM 259 C ASN A 20 1.180 -3.210 5.015 1.00 0.00 C ATOM 260 O ASN A 20 1.667 -2.610 4.059 1.00 0.00 O ATOM 261 CB ASN A 20 1.965 -5.586 5.430 1.00 0.00 C ATOM 262 CG ASN A 20 2.203 -5.324 6.914 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.280 -5.008 7.661 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.453 -5.367 7.337 1.00 0.00 N ATOM 0 H ASN A 20 1.114 -4.549 2.830 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.007 -4.904 5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.701 -6.632 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.883 -5.404 4.871 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.672 -5.134 8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.200 -5.633 6.695 1.00 0.00 H new ATOM 271 N GLN A 21 0.886 -2.645 6.187 1.00 0.00 N ATOM 272 CA GLN A 21 1.170 -1.270 6.562 1.00 0.00 C ATOM 273 C GLN A 21 2.670 -1.002 6.493 1.00 0.00 C ATOM 274 O GLN A 21 3.088 0.053 6.021 1.00 0.00 O ATOM 275 CB GLN A 21 0.677 -1.060 7.995 1.00 0.00 C ATOM 276 CG GLN A 21 -0.846 -0.908 8.053 1.00 0.00 C ATOM 277 CD GLN A 21 -1.382 -1.012 9.473 1.00 0.00 C ATOM 278 OE1 GLN A 21 -2.120 -1.938 9.801 1.00 0.00 O ATOM 279 NE2 GLN A 21 -1.011 -0.064 10.330 1.00 0.00 N ATOM 0 H GLN A 21 0.421 -3.164 6.932 1.00 0.00 H new ATOM 0 HA GLN A 21 0.667 -0.586 5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.982 -1.905 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.148 -0.171 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.129 0.056 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.310 -1.677 7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.397 0.690 10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.341 -0.091 11.295 1.00 0.00 H new ATOM 288 N ASP A 22 3.462 -1.960 6.985 1.00 0.00 N ATOM 289 CA ASP A 22 4.909 -1.953 6.818 1.00 0.00 C ATOM 290 C ASP A 22 5.278 -2.867 5.651 1.00 0.00 C ATOM 291 O ASP A 22 5.141 -4.089 5.714 1.00 0.00 O ATOM 292 CB ASP A 22 5.662 -2.267 8.121 1.00 0.00 C ATOM 293 CG ASP A 22 5.685 -3.732 8.521 1.00 0.00 C ATOM 294 OD1 ASP A 22 4.773 -4.144 9.274 1.00 0.00 O ATOM 295 OD2 ASP A 22 6.667 -4.449 8.201 1.00 0.00 O ATOM 0 H ASP A 22 3.112 -2.761 7.510 1.00 0.00 H new ATOM 0 HA ASP A 22 5.237 -0.943 6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.690 -1.919 8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.209 -1.694 8.930 1.00 0.00 H new ATOM 300 N ALA A 23 5.736 -2.266 4.555 1.00 0.00 N ATOM 301 CA ALA A 23 6.165 -2.999 3.378 1.00 0.00 C ATOM 302 C ALA A 23 7.170 -4.097 3.742 1.00 0.00 C ATOM 303 O ALA A 23 7.120 -5.184 3.173 1.00 0.00 O ATOM 304 CB ALA A 23 6.748 -2.007 2.377 1.00 0.00 C ATOM 0 H ALA A 23 5.818 -1.253 4.463 1.00 0.00 H new ATOM 0 HA ALA A 23 5.311 -3.504 2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.076 -2.541 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.987 -1.276 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.598 -1.494 2.826 1.00 0.00 H new ATOM 310 N THR A 24 8.060 -3.826 4.701 1.00 0.00 N ATOM 311 CA THR A 24 9.083 -4.737 5.189 1.00 0.00 C ATOM 312 C THR A 24 8.559 -6.159 5.399 1.00 0.00 C ATOM 313 O THR A 24 9.095 -7.091 4.807 1.00 0.00 O ATOM 314 CB THR A 24 9.700 -4.136 6.462 1.00 0.00 C ATOM 315 OG1 THR A 24 8.771 -3.274 7.098 1.00 0.00 O ATOM 316 CG2 THR A 24 10.923 -3.287 6.107 1.00 0.00 C ATOM 0 H THR A 24 8.083 -2.923 5.175 1.00 0.00 H new ATOM 0 HA THR A 24 9.859 -4.843 4.431 1.00 0.00 H new ATOM 0 HB THR A 24 9.976 -4.962 7.117 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.268 -3.776 7.773 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.351 -2.867 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.667 -3.910 5.610 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.623 -2.478 5.440 1.00 0.00 H new ATOM 324 N LYS A 25 7.524 -6.350 6.225 1.00 0.00 N ATOM 325 CA LYS A 25 6.993 -7.692 6.465 1.00 0.00 C ATOM 326 C LYS A 25 5.887 -8.086 5.478 1.00 0.00 C ATOM 327 O LYS A 25 5.145 -9.031 5.736 1.00 0.00 O ATOM 328 CB LYS A 25 6.508 -7.789 7.910 1.00 0.00 C ATOM 329 CG LYS A 25 7.691 -7.714 8.887 1.00 0.00 C ATOM 330 CD LYS A 25 7.252 -8.001 10.333 1.00 0.00 C ATOM 331 CE LYS A 25 6.074 -7.125 10.772 1.00 0.00 C ATOM 332 NZ LYS A 25 6.336 -5.696 10.521 1.00 0.00 N ATOM 0 H LYS A 25 7.045 -5.604 6.730 1.00 0.00 H new ATOM 0 HA LYS A 25 7.800 -8.405 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.806 -6.981 8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.969 -8.725 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.455 -8.432 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.145 -6.724 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.974 -9.051 10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.094 -7.836 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.174 -7.430 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.881 -7.279 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.439 -5.171 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.968 -5.324 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.787 -5.584 9.591 1.00 0.00 H new ATOM 346 N SER A 26 5.764 -7.387 4.349 1.00 0.00 N ATOM 347 CA SER A 26 4.883 -7.817 3.275 1.00 0.00 C ATOM 348 C SER A 26 5.492 -8.998 2.506 1.00 0.00 C ATOM 349 O SER A 26 6.623 -9.412 2.754 1.00 0.00 O ATOM 350 CB SER A 26 4.615 -6.643 2.331 1.00 0.00 C ATOM 351 OG SER A 26 3.551 -6.984 1.468 1.00 0.00 O ATOM 0 H SER A 26 6.266 -6.520 4.159 1.00 0.00 H new ATOM 0 HA SER A 26 3.940 -8.152 3.707 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.365 -5.749 2.903 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.510 -6.412 1.753 1.00 0.00 H new ATOM 0 HG SER A 26 3.822 -6.832 0.539 1.00 0.00 H new ATOM 357 N GLU A 27 4.756 -9.488 1.506 1.00 0.00 N ATOM 358 CA GLU A 27 5.210 -10.533 0.597 1.00 0.00 C ATOM 359 C GLU A 27 6.252 -10.012 -0.396 1.00 0.00 C ATOM 360 O GLU A 27 6.818 -10.801 -1.147 1.00 0.00 O ATOM 361 CB GLU A 27 4.017 -11.102 -0.181 1.00 0.00 C ATOM 362 CG GLU A 27 3.023 -11.833 0.729 1.00 0.00 C ATOM 363 CD GLU A 27 1.881 -12.467 -0.060 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.675 -12.052 -1.221 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.216 -13.350 0.522 1.00 0.00 O ATOM 0 H GLU A 27 3.811 -9.161 1.305 1.00 0.00 H new ATOM 0 HA GLU A 27 5.674 -11.312 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.504 -10.291 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.379 -11.789 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.547 -12.606 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.615 -11.131 1.456 1.00 0.00 H new ATOM 372 N ARG A 28 6.487 -8.698 -0.451 1.00 0.00 N ATOM 373 CA ARG A 28 7.224 -8.051 -1.523 1.00 0.00 C ATOM 374 C ARG A 28 8.538 -8.742 -1.895 1.00 0.00 C ATOM 375 O ARG A 28 8.804 -8.955 -3.073 1.00 0.00 O ATOM 376 CB ARG A 28 7.399 -6.565 -1.203 1.00 0.00 C ATOM 377 CG ARG A 28 8.125 -6.274 0.109 1.00 0.00 C ATOM 378 CD ARG A 28 8.368 -4.772 0.224 1.00 0.00 C ATOM 379 NE ARG A 28 9.360 -4.469 1.273 1.00 0.00 N ATOM 380 CZ ARG A 28 9.848 -3.249 1.545 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.511 -2.194 0.804 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.746 -3.061 2.511 1.00 0.00 N ATOM 0 H ARG A 28 6.161 -8.048 0.265 1.00 0.00 H new ATOM 0 HA ARG A 28 6.625 -8.147 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.949 -6.094 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.415 -6.097 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.531 -6.624 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.073 -6.812 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.717 -4.383 -0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.430 -4.266 0.451 1.00 0.00 H new ATOM 0 HE ARG A 28 9.702 -5.248 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.873 -2.307 0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.891 -1.274 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.076 -3.854 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.103 -2.124 2.700 1.00 0.00 H new ATOM 396 N VAL A 29 9.348 -9.113 -0.905 1.00 0.00 N ATOM 397 CA VAL A 29 10.605 -9.833 -1.099 1.00 0.00 C ATOM 398 C VAL A 29 10.367 -11.176 -1.791 1.00 0.00 C ATOM 399 O VAL A 29 11.119 -11.559 -2.683 1.00 0.00 O ATOM 400 CB VAL A 29 11.307 -9.955 0.266 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.888 -11.337 0.582 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.417 -8.907 0.395 1.00 0.00 C ATOM 0 H VAL A 29 9.144 -8.917 0.075 1.00 0.00 H new ATOM 0 HA VAL A 29 11.267 -9.284 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 29 10.515 -9.785 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.360 -11.317 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.088 -12.077 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.630 -11.601 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.902 -9.008 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.152 -9.057 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.987 -7.909 0.306 1.00 0.00 H new ATOM 412 N ALA A 30 9.324 -11.893 -1.371 1.00 0.00 N ATOM 413 CA ALA A 30 8.972 -13.189 -1.934 1.00 0.00 C ATOM 414 C ALA A 30 8.455 -13.022 -3.365 1.00 0.00 C ATOM 415 O ALA A 30 8.869 -13.741 -4.270 1.00 0.00 O ATOM 416 CB ALA A 30 7.937 -13.886 -1.042 1.00 0.00 C ATOM 0 H ALA A 30 8.699 -11.586 -0.626 1.00 0.00 H new ATOM 0 HA ALA A 30 9.862 -13.818 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.680 -14.854 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.354 -14.030 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.041 -13.270 -0.975 1.00 0.00 H new ATOM 422 N ALA A 31 7.536 -12.075 -3.560 1.00 0.00 N ATOM 423 CA ALA A 31 6.919 -11.804 -4.850 1.00 0.00 C ATOM 424 C ALA A 31 7.941 -11.276 -5.861 1.00 0.00 C ATOM 425 O ALA A 31 7.890 -11.635 -7.034 1.00 0.00 O ATOM 426 CB ALA A 31 5.777 -10.801 -4.657 1.00 0.00 C ATOM 0 H ALA A 31 7.198 -11.469 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 31 6.523 -12.736 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.309 -10.593 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.036 -11.220 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.172 -9.876 -4.238 1.00 0.00 H new ATOM 432 N ALA A 32 8.828 -10.388 -5.402 1.00 0.00 N ATOM 433 CA ALA A 32 9.844 -9.692 -6.183 1.00 0.00 C ATOM 434 C ALA A 32 9.310 -9.230 -7.541 1.00 0.00 C ATOM 435 O ALA A 32 9.867 -9.554 -8.589 1.00 0.00 O ATOM 436 CB ALA A 32 11.107 -10.552 -6.300 1.00 0.00 C ATOM 0 H ALA A 32 8.854 -10.123 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 32 10.118 -8.780 -5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.857 -10.020 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.502 -10.756 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.862 -11.493 -6.793 1.00 0.00 H new ATOM 442 N ARG A 33 8.226 -8.447 -7.520 1.00 0.00 N ATOM 443 CA ARG A 33 7.650 -7.889 -8.737 1.00 0.00 C ATOM 444 C ARG A 33 8.711 -7.068 -9.480 1.00 0.00 C ATOM 445 O ARG A 33 9.501 -6.391 -8.825 1.00 0.00 O ATOM 446 CB ARG A 33 6.419 -7.051 -8.408 1.00 0.00 C ATOM 447 CG ARG A 33 5.289 -8.051 -8.200 1.00 0.00 C ATOM 448 CD ARG A 33 4.057 -7.381 -7.636 1.00 0.00 C ATOM 449 NE ARG A 33 3.532 -6.312 -8.500 1.00 0.00 N ATOM 450 CZ ARG A 33 2.656 -6.449 -9.505 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.265 -7.665 -9.894 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.194 -5.356 -10.119 1.00 0.00 N ATOM 0 H ARG A 33 7.732 -8.187 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 33 7.327 -8.699 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.581 -6.450 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.187 -6.360 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.044 -8.528 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.619 -8.839 -7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.281 -8.131 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.294 -6.965 -6.657 1.00 0.00 H new ATOM 0 HE ARG A 33 3.870 -5.368 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.633 -8.493 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.598 -7.766 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.508 -4.432 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.527 -5.445 -10.885 1.00 0.00 H new ATOM 466 N PRO A 34 8.761 -7.105 -10.818 1.00 0.00 N ATOM 467 CA PRO A 34 9.734 -6.331 -11.570 1.00 0.00 C ATOM 468 C PRO A 34 9.448 -4.833 -11.418 1.00 0.00 C ATOM 469 O PRO A 34 8.300 -4.428 -11.241 1.00 0.00 O ATOM 470 CB PRO A 34 9.596 -6.807 -13.019 1.00 0.00 C ATOM 471 CG PRO A 34 8.142 -7.275 -13.099 1.00 0.00 C ATOM 472 CD PRO A 34 7.884 -7.848 -11.705 1.00 0.00 C ATOM 0 HA PRO A 34 10.754 -6.475 -11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.800 -6.004 -13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.292 -7.615 -13.245 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.466 -6.451 -13.328 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.003 -8.027 -13.876 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.840 -7.728 -11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.103 -8.915 -11.672 1.00 0.00 H new ATOM 480 N GLY A 35 10.501 -4.011 -11.492 1.00 0.00 N ATOM 481 CA GLY A 35 10.408 -2.561 -11.408 1.00 0.00 C ATOM 482 C GLY A 35 11.599 -2.003 -10.637 1.00 0.00 C ATOM 483 O GLY A 35 12.412 -1.268 -11.191 1.00 0.00 O ATOM 0 H GLY A 35 11.456 -4.348 -11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.380 -2.132 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.479 -2.276 -10.913 1.00 0.00 H new ATOM 487 N LEU A 36 11.694 -2.360 -9.357 1.00 0.00 N ATOM 488 CA LEU A 36 12.713 -1.909 -8.415 1.00 0.00 C ATOM 489 C LEU A 36 12.879 -3.054 -7.406 1.00 0.00 C ATOM 490 O LEU A 36 12.033 -3.950 -7.380 1.00 0.00 O ATOM 491 CB LEU A 36 12.247 -0.591 -7.763 1.00 0.00 C ATOM 492 CG LEU A 36 13.204 0.610 -7.874 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.536 0.987 -9.321 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.557 1.818 -7.185 1.00 0.00 C ATOM 0 H LEU A 36 11.028 -3.004 -8.929 1.00 0.00 H new ATOM 0 HA LEU A 36 13.674 -1.693 -8.883 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.293 -0.309 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.060 -0.781 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 36 14.140 0.323 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.214 1.840 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.012 0.141 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.619 1.248 -9.849 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.224 2.677 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.611 2.052 -7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.376 1.585 -6.136 1.00 0.00 H new ATOM 506 N PRO A 37 13.950 -3.079 -6.599 1.00 0.00 N ATOM 507 CA PRO A 37 14.225 -4.190 -5.708 1.00 0.00 C ATOM 508 C PRO A 37 13.193 -4.155 -4.579 1.00 0.00 C ATOM 509 O PRO A 37 12.755 -3.064 -4.203 1.00 0.00 O ATOM 510 CB PRO A 37 15.663 -3.975 -5.233 1.00 0.00 C ATOM 511 CG PRO A 37 15.874 -2.461 -5.324 1.00 0.00 C ATOM 512 CD PRO A 37 14.837 -1.966 -6.337 1.00 0.00 C ATOM 0 HA PRO A 37 14.144 -5.175 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.802 -4.335 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.373 -4.513 -5.861 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.733 -1.986 -4.353 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.887 -2.224 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.284 -1.115 -5.940 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.321 -1.632 -7.255 1.00 0.00 H new ATOM 520 N PRO A 38 12.767 -5.321 -4.059 1.00 0.00 N ATOM 521 CA PRO A 38 11.567 -5.429 -3.248 1.00 0.00 C ATOM 522 C PRO A 38 11.595 -4.433 -2.103 1.00 0.00 C ATOM 523 O PRO A 38 10.606 -3.750 -1.860 1.00 0.00 O ATOM 524 CB PRO A 38 11.465 -6.886 -2.790 1.00 0.00 C ATOM 525 CG PRO A 38 12.859 -7.462 -3.028 1.00 0.00 C ATOM 526 CD PRO A 38 13.431 -6.609 -4.162 1.00 0.00 C ATOM 0 HA PRO A 38 10.673 -5.175 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.182 -6.953 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.709 -7.428 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.475 -7.397 -2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.812 -8.515 -3.307 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.511 -6.501 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.243 -7.070 -5.132 1.00 0.00 H new ATOM 534 N GLU A 39 12.733 -4.278 -1.431 1.00 0.00 N ATOM 535 CA GLU A 39 12.774 -3.433 -0.260 1.00 0.00 C ATOM 536 C GLU A 39 12.475 -1.949 -0.517 1.00 0.00 C ATOM 537 O GLU A 39 11.964 -1.284 0.391 1.00 0.00 O ATOM 538 CB GLU A 39 13.978 -3.763 0.619 1.00 0.00 C ATOM 539 CG GLU A 39 13.854 -5.210 1.146 1.00 0.00 C ATOM 540 CD GLU A 39 12.624 -5.377 2.040 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.626 -4.783 3.139 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.594 -5.905 1.568 1.00 0.00 O ATOM 0 H GLU A 39 13.618 -4.720 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 39 11.910 -3.686 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.900 -3.651 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.034 -3.065 1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.790 -5.901 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.751 -5.472 1.707 1.00 0.00 H new ATOM 549 N GLU A 40 12.663 -1.450 -1.747 1.00 0.00 N ATOM 550 CA GLU A 40 12.214 -0.116 -2.124 1.00 0.00 C ATOM 551 C GLU A 40 10.826 -0.099 -2.771 1.00 0.00 C ATOM 552 O GLU A 40 10.310 0.971 -3.087 1.00 0.00 O ATOM 553 CB GLU A 40 13.262 0.565 -3.014 1.00 0.00 C ATOM 554 CG GLU A 40 13.973 1.671 -2.230 1.00 0.00 C ATOM 555 CD GLU A 40 13.000 2.778 -1.825 1.00 0.00 C ATOM 556 OE1 GLU A 40 12.487 3.466 -2.731 1.00 0.00 O ATOM 557 OE2 GLU A 40 12.688 2.855 -0.615 1.00 0.00 O ATOM 0 H GLU A 40 13.127 -1.960 -2.498 1.00 0.00 H new ATOM 0 HA GLU A 40 12.109 0.455 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.988 -0.169 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.783 0.985 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.437 1.248 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.774 2.092 -2.837 1.00 0.00 H new ATOM 564 N GLN A 41 10.176 -1.246 -2.957 1.00 0.00 N ATOM 565 CA GLN A 41 8.794 -1.258 -3.403 1.00 0.00 C ATOM 566 C GLN A 41 7.912 -0.903 -2.215 1.00 0.00 C ATOM 567 O GLN A 41 7.918 -1.620 -1.214 1.00 0.00 O ATOM 568 CB GLN A 41 8.395 -2.645 -3.907 1.00 0.00 C ATOM 569 CG GLN A 41 9.273 -3.110 -5.066 1.00 0.00 C ATOM 570 CD GLN A 41 8.772 -4.419 -5.660 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.679 -4.891 -5.345 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.582 -5.005 -6.530 1.00 0.00 N ATOM 0 H GLN A 41 10.584 -2.169 -2.806 1.00 0.00 H new ATOM 0 HA GLN A 41 8.675 -0.543 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.466 -3.362 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.353 -2.628 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.291 -2.342 -5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.298 -3.237 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.479 -4.577 -6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.309 -5.884 -6.969 1.00 0.00 H new ATOM 581 N HIS A 42 7.132 0.169 -2.310 1.00 0.00 N ATOM 582 CA HIS A 42 6.118 0.489 -1.318 1.00 0.00 C ATOM 583 C HIS A 42 5.091 1.416 -1.965 1.00 0.00 C ATOM 584 O HIS A 42 5.362 1.966 -3.031 1.00 0.00 O ATOM 585 CB HIS A 42 6.769 1.059 -0.037 1.00 0.00 C ATOM 586 CG HIS A 42 8.010 1.893 -0.261 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.194 2.766 -1.311 1.00 0.00 N ATOM 588 CD2 HIS A 42 9.211 1.763 0.388 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.480 3.161 -1.310 1.00 0.00 C ATOM 590 NE2 HIS A 42 10.113 2.570 -0.282 1.00 0.00 N ATOM 0 H HIS A 42 7.187 0.839 -3.077 1.00 0.00 H new ATOM 0 HA HIS A 42 5.590 -0.406 -0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.031 1.668 0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.023 0.229 0.622 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.478 3.062 -1.975 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.413 1.150 1.254 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.930 3.841 -2.018 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.095 2.696 -0.037 1.00 0.00 H new ATOM 599 N CYS A 43 3.918 1.590 -1.358 1.00 0.00 N ATOM 600 CA CYS A 43 2.852 2.414 -1.911 1.00 0.00 C ATOM 601 C CYS A 43 3.382 3.804 -2.305 1.00 0.00 C ATOM 602 O CYS A 43 3.005 4.359 -3.331 1.00 0.00 O ATOM 603 CB CYS A 43 1.700 2.506 -0.948 1.00 0.00 C ATOM 604 SG CYS A 43 0.881 0.914 -0.612 1.00 0.00 S ATOM 0 H CYS A 43 3.682 1.160 -0.464 1.00 0.00 H new ATOM 0 HA CYS A 43 2.482 1.940 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.060 2.923 -0.007 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.963 3.204 -1.345 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.094 1.096 0.228 1.00 0.00 H new ATOM 609 N ALA A 44 4.321 4.352 -1.528 1.00 0.00 N ATOM 610 CA ALA A 44 4.992 5.618 -1.808 1.00 0.00 C ATOM 611 C ALA A 44 5.435 5.766 -3.273 1.00 0.00 C ATOM 612 O ALA A 44 5.365 6.867 -3.816 1.00 0.00 O ATOM 613 CB ALA A 44 6.201 5.783 -0.883 1.00 0.00 C ATOM 0 H ALA A 44 4.642 3.913 -0.665 1.00 0.00 H new ATOM 0 HA ALA A 44 4.260 6.404 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.697 6.730 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.869 5.774 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.899 4.962 -1.047 1.00 0.00 H new ATOM 619 N ASN A 45 5.910 4.680 -3.901 1.00 0.00 N ATOM 620 CA ASN A 45 6.336 4.662 -5.301 1.00 0.00 C ATOM 621 C ASN A 45 5.492 3.679 -6.114 1.00 0.00 C ATOM 622 O ASN A 45 5.973 3.132 -7.109 1.00 0.00 O ATOM 623 CB ASN A 45 7.850 4.397 -5.431 1.00 0.00 C ATOM 624 CG ASN A 45 8.340 3.081 -4.821 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.690 2.487 -3.967 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.534 2.629 -5.177 1.00 0.00 N ATOM 0 H ASN A 45 6.009 3.776 -3.439 1.00 0.00 H new ATOM 0 HA ASN A 45 6.165 5.653 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.114 4.409 -6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.388 5.219 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.912 1.788 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.075 3.122 -5.887 1.00 0.00 H new ATOM 633 N CYS A 46 4.226 3.495 -5.723 1.00 0.00 N ATOM 634 CA CYS A 46 3.250 2.702 -6.450 1.00 0.00 C ATOM 635 C CYS A 46 2.428 3.605 -7.370 1.00 0.00 C ATOM 636 O CYS A 46 1.984 4.689 -6.986 1.00 0.00 O ATOM 637 CB CYS A 46 2.355 1.986 -5.486 1.00 0.00 C ATOM 638 SG CYS A 46 1.157 0.936 -6.330 1.00 0.00 S ATOM 0 H CYS A 46 3.850 3.908 -4.869 1.00 0.00 H new ATOM 0 HA CYS A 46 3.770 1.963 -7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.960 1.378 -4.813 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.828 2.715 -4.870 1.00 0.00 H new ATOM 0 HG CYS A 46 0.409 0.338 -5.451 1.00 0.00 H new ATOM 643 N GLN A 47 2.220 3.144 -8.600 1.00 0.00 N ATOM 644 CA GLN A 47 1.525 3.839 -9.664 1.00 0.00 C ATOM 645 C GLN A 47 0.123 4.268 -9.247 1.00 0.00 C ATOM 646 O GLN A 47 -0.392 5.255 -9.773 1.00 0.00 O ATOM 647 CB GLN A 47 1.535 2.943 -10.912 1.00 0.00 C ATOM 648 CG GLN A 47 0.954 3.596 -12.171 1.00 0.00 C ATOM 649 CD GLN A 47 1.651 4.883 -12.573 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.490 4.879 -13.462 1.00 0.00 O ATOM 651 NE2 GLN A 47 1.316 5.983 -11.909 1.00 0.00 N ATOM 0 H GLN A 47 2.553 2.225 -8.891 1.00 0.00 H new ATOM 0 HA GLN A 47 2.041 4.770 -9.897 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.562 2.639 -11.117 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.971 2.035 -10.696 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.015 2.888 -12.997 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.103 3.803 -12.006 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.610 5.940 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.765 6.871 -12.134 1.00 0.00 H new ATOM 660 N PHE A 48 -0.483 3.524 -8.324 1.00 0.00 N ATOM 661 CA PHE A 48 -1.863 3.702 -7.920 1.00 0.00 C ATOM 662 C PHE A 48 -1.995 4.473 -6.608 1.00 0.00 C ATOM 663 O PHE A 48 -3.122 4.653 -6.153 1.00 0.00 O ATOM 664 CB PHE A 48 -2.507 2.314 -7.836 1.00 0.00 C ATOM 665 CG PHE A 48 -2.407 1.482 -9.108 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.415 2.081 -10.385 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.205 0.094 -9.001 1.00 0.00 C ATOM 668 CE1 PHE A 48 -2.117 1.316 -11.526 1.00 0.00 C ATOM 669 CE2 PHE A 48 -1.870 -0.664 -10.136 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.816 -0.051 -11.399 1.00 0.00 C ATOM 0 H PHE A 48 -0.012 2.766 -7.830 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.382 4.312 -8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.040 1.762 -7.020 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.560 2.433 -7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.651 3.130 -10.486 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.308 -0.392 -8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.119 1.779 -12.502 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.654 -1.718 -10.037 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.544 -0.629 -12.270 1.00 0.00 H new ATOM 680 N MET A 49 -0.899 4.943 -6.005 1.00 0.00 N ATOM 681 CA MET A 49 -0.985 5.744 -4.789 1.00 0.00 C ATOM 682 C MET A 49 -1.529 7.136 -5.127 1.00 0.00 C ATOM 683 O MET A 49 -1.083 7.757 -6.092 1.00 0.00 O ATOM 684 CB MET A 49 0.388 5.778 -4.115 1.00 0.00 C ATOM 685 CG MET A 49 0.402 6.520 -2.769 1.00 0.00 C ATOM 686 SD MET A 49 0.459 8.332 -2.816 1.00 0.00 S ATOM 687 CE MET A 49 2.085 8.609 -3.558 1.00 0.00 C ATOM 0 H MET A 49 0.051 4.782 -6.340 1.00 0.00 H new ATOM 0 HA MET A 49 -1.682 5.302 -4.077 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.731 4.755 -3.959 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.101 6.254 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.488 6.225 -2.213 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.264 6.170 -2.201 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.379 9.648 -3.412 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.817 7.954 -3.085 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.040 8.392 -4.625 1.00 0.00 H new ATOM 697 N GLN A 50 -2.507 7.607 -4.344 1.00 0.00 N ATOM 698 CA GLN A 50 -3.208 8.868 -4.545 1.00 0.00 C ATOM 699 C GLN A 50 -3.037 9.742 -3.301 1.00 0.00 C ATOM 700 O GLN A 50 -3.579 9.440 -2.237 1.00 0.00 O ATOM 701 CB GLN A 50 -4.698 8.610 -4.797 1.00 0.00 C ATOM 702 CG GLN A 50 -4.937 7.585 -5.911 1.00 0.00 C ATOM 703 CD GLN A 50 -6.422 7.317 -6.123 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.109 6.849 -5.222 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.939 7.600 -7.317 1.00 0.00 N ATOM 0 H GLN A 50 -2.839 7.097 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.790 9.378 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.163 8.256 -3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.186 9.548 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.497 7.948 -6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.431 6.652 -5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.346 7.989 -8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.928 7.428 -7.498 1.00 0.00 H new ATOM 714 N ALA A 51 -2.313 10.851 -3.433 1.00 0.00 N ATOM 715 CA ALA A 51 -2.247 11.873 -2.392 1.00 0.00 C ATOM 716 C ALA A 51 -3.467 12.794 -2.445 1.00 0.00 C ATOM 717 O ALA A 51 -3.790 13.470 -1.472 1.00 0.00 O ATOM 718 CB ALA A 51 -0.941 12.653 -2.509 1.00 0.00 C ATOM 0 H ALA A 51 -1.758 11.066 -4.261 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.263 11.384 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.900 13.413 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.098 11.971 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.890 13.133 -3.486 1.00 0.00 H new ATOM 724 N ASP A 52 -4.155 12.775 -3.584 1.00 0.00 N ATOM 725 CA ASP A 52 -5.340 13.535 -3.940 1.00 0.00 C ATOM 726 C ASP A 52 -6.507 13.214 -3.001 1.00 0.00 C ATOM 727 O ASP A 52 -7.468 13.975 -2.901 1.00 0.00 O ATOM 728 CB ASP A 52 -5.733 13.162 -5.385 1.00 0.00 C ATOM 729 CG ASP A 52 -4.548 12.997 -6.335 1.00 0.00 C ATOM 730 OD1 ASP A 52 -3.754 12.058 -6.074 1.00 0.00 O ATOM 731 OD2 ASP A 52 -4.448 13.804 -7.282 1.00 0.00 O ATOM 0 H ASP A 52 -3.865 12.168 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.121 14.599 -3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.301 12.232 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.396 13.932 -5.779 1.00 0.00 H new ATOM 736 N ALA A 53 -6.453 12.045 -2.358 1.00 0.00 N ATOM 737 CA ALA A 53 -7.552 11.505 -1.585 1.00 0.00 C ATOM 738 C ALA A 53 -7.773 12.320 -0.313 1.00 0.00 C ATOM 739 O ALA A 53 -7.123 12.088 0.705 1.00 0.00 O ATOM 740 CB ALA A 53 -7.261 10.043 -1.267 1.00 0.00 C ATOM 0 H ALA A 53 -5.628 11.445 -2.366 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.472 11.565 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.083 9.627 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.154 9.483 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.337 9.972 -0.693 1.00 0.00 H new ATOM 746 N ALA A 54 -8.713 13.263 -0.371 1.00 0.00 N ATOM 747 CA ALA A 54 -9.143 14.043 0.780 1.00 0.00 C ATOM 748 C ALA A 54 -9.427 13.112 1.961 1.00 0.00 C ATOM 749 O ALA A 54 -10.231 12.189 1.841 1.00 0.00 O ATOM 750 CB ALA A 54 -10.383 14.866 0.430 1.00 0.00 C ATOM 0 H ALA A 54 -9.201 13.507 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.346 14.731 1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.693 15.444 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.150 15.543 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.191 14.198 0.131 1.00 0.00 H new ATOM 756 N GLY A 55 -8.729 13.332 3.078 1.00 0.00 N ATOM 757 CA GLY A 55 -8.688 12.412 4.206 1.00 0.00 C ATOM 758 C GLY A 55 -7.253 11.962 4.479 1.00 0.00 C ATOM 759 O GLY A 55 -6.901 11.724 5.631 1.00 0.00 O ATOM 0 H GLY A 55 -8.168 14.172 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.098 12.896 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.314 11.544 3.998 1.00 0.00 H new ATOM 763 N ALA A 56 -6.434 11.846 3.427 1.00 0.00 N ATOM 764 CA ALA A 56 -5.008 11.557 3.498 1.00 0.00 C ATOM 765 C ALA A 56 -4.330 12.390 4.593 1.00 0.00 C ATOM 766 O ALA A 56 -4.608 13.583 4.714 1.00 0.00 O ATOM 767 CB ALA A 56 -4.386 11.843 2.126 1.00 0.00 C ATOM 0 H ALA A 56 -6.765 11.956 2.469 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.860 10.509 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.317 11.632 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.857 11.210 1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.541 12.890 1.867 1.00 0.00 H new ATOM 773 N THR A 57 -3.452 11.762 5.382 1.00 0.00 N ATOM 774 CA THR A 57 -2.757 12.402 6.497 1.00 0.00 C ATOM 775 C THR A 57 -1.241 12.358 6.294 1.00 0.00 C ATOM 776 O THR A 57 -0.758 12.576 5.179 1.00 0.00 O ATOM 777 CB THR A 57 -3.248 11.880 7.864 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.693 10.627 8.183 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.765 11.724 7.935 1.00 0.00 C ATOM 0 H THR A 57 -3.203 10.781 5.260 1.00 0.00 H new ATOM 0 HA THR A 57 -3.016 13.461 6.510 1.00 0.00 H new ATOM 0 HB THR A 57 -2.922 12.639 8.575 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.028 10.333 9.056 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.047 11.354 8.921 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.239 12.690 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.094 11.016 7.174 1.00 0.00 H new ATOM 787 N ASP A 58 -0.475 12.116 7.358 1.00 0.00 N ATOM 788 CA ASP A 58 0.955 12.242 7.416 1.00 0.00 C ATOM 789 C ASP A 58 1.519 11.081 6.591 1.00 0.00 C ATOM 790 O ASP A 58 1.972 11.271 5.459 1.00 0.00 O ATOM 791 CB ASP A 58 1.452 12.241 8.888 1.00 0.00 C ATOM 792 CG ASP A 58 0.495 12.514 10.056 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.729 12.657 9.847 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.970 12.392 11.207 1.00 0.00 O ATOM 0 H ASP A 58 -0.873 11.810 8.246 1.00 0.00 H new ATOM 0 HA ASP A 58 1.299 13.190 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.904 11.266 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.251 12.980 8.953 1.00 0.00 H new ATOM 799 N GLU A 59 1.400 9.854 7.101 1.00 0.00 N ATOM 800 CA GLU A 59 1.903 8.659 6.475 1.00 0.00 C ATOM 801 C GLU A 59 0.859 8.082 5.526 1.00 0.00 C ATOM 802 O GLU A 59 1.139 7.097 4.849 1.00 0.00 O ATOM 803 CB GLU A 59 2.206 7.618 7.560 1.00 0.00 C ATOM 804 CG GLU A 59 2.948 8.134 8.808 1.00 0.00 C ATOM 805 CD GLU A 59 1.999 8.587 9.912 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.875 9.026 9.579 1.00 0.00 O ATOM 807 OE2 GLU A 59 2.369 8.531 11.104 1.00 0.00 O ATOM 0 H GLU A 59 0.934 9.673 7.990 1.00 0.00 H new ATOM 0 HA GLU A 59 2.805 8.904 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.264 7.173 7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.800 6.820 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.596 7.346 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.592 8.966 8.524 1.00 0.00 H new ATOM 814 N TRP A 60 -0.359 8.636 5.528 1.00 0.00 N ATOM 815 CA TRP A 60 -1.522 7.923 5.038 1.00 0.00 C ATOM 816 C TRP A 60 -2.079 8.584 3.796 1.00 0.00 C ATOM 817 O TRP A 60 -2.324 9.788 3.806 1.00 0.00 O ATOM 818 CB TRP A 60 -2.558 7.857 6.145 1.00 0.00 C ATOM 819 CG TRP A 60 -2.075 7.137 7.352 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.437 7.714 8.387 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.142 5.716 7.660 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.082 6.752 9.301 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.534 5.507 8.931 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.683 4.587 7.013 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.507 4.256 9.555 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.656 3.319 7.625 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.111 3.164 8.914 1.00 0.00 C ATOM 0 H TRP A 60 -0.555 9.578 5.866 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.238 6.909 4.756 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.847 8.870 6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.453 7.362 5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.235 8.771 8.484 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.548 6.938 10.150 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.125 4.696 6.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.029 4.132 10.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.055 2.462 7.103 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.158 2.205 9.409 1.00 0.00 H new ATOM 838 N LYS A 61 -2.243 7.803 2.731 1.00 0.00 N ATOM 839 CA LYS A 61 -2.699 8.271 1.430 1.00 0.00 C ATOM 840 C LYS A 61 -3.800 7.345 0.905 1.00 0.00 C ATOM 841 O LYS A 61 -4.109 6.325 1.515 1.00 0.00 O ATOM 842 CB LYS A 61 -1.504 8.377 0.459 1.00 0.00 C ATOM 843 CG LYS A 61 -0.887 9.784 0.434 1.00 0.00 C ATOM 844 CD LYS A 61 0.104 10.097 1.571 1.00 0.00 C ATOM 845 CE LYS A 61 -0.148 11.501 2.141 1.00 0.00 C ATOM 846 NZ LYS A 61 0.798 11.888 3.209 1.00 0.00 N ATOM 0 H LYS A 61 -2.057 6.800 2.753 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.128 9.269 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.741 7.654 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.832 8.110 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.374 9.919 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.694 10.516 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.003 9.354 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.126 10.029 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.086 12.228 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.164 11.547 2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.338 12.564 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.084 11.042 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.639 12.330 2.785 1.00 0.00 H new ATOM 860 N GLY A 62 -4.414 7.719 -0.215 1.00 0.00 N ATOM 861 CA GLY A 62 -5.372 6.867 -0.902 1.00 0.00 C ATOM 862 C GLY A 62 -4.639 5.902 -1.830 1.00 0.00 C ATOM 863 O GLY A 62 -3.468 6.119 -2.148 1.00 0.00 O ATOM 0 H GLY A 62 -4.260 8.620 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.962 6.309 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.069 7.478 -1.476 1.00 0.00 H new ATOM 867 N CYS A 63 -5.336 4.857 -2.284 1.00 0.00 N ATOM 868 CA CYS A 63 -4.864 3.944 -3.313 1.00 0.00 C ATOM 869 C CYS A 63 -6.012 3.710 -4.299 1.00 0.00 C ATOM 870 O CYS A 63 -7.171 3.589 -3.889 1.00 0.00 O ATOM 871 CB CYS A 63 -4.338 2.672 -2.691 1.00 0.00 C ATOM 872 SG CYS A 63 -4.035 1.461 -3.996 1.00 0.00 S ATOM 0 H CYS A 63 -6.265 4.622 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.024 4.369 -3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.417 2.873 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.057 2.279 -1.972 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.580 0.362 -3.471 1.00 0.00 H new ATOM 877 N GLN A 64 -5.701 3.703 -5.598 1.00 0.00 N ATOM 878 CA GLN A 64 -6.671 3.502 -6.662 1.00 0.00 C ATOM 879 C GLN A 64 -7.414 2.184 -6.417 1.00 0.00 C ATOM 880 O GLN A 64 -6.797 1.132 -6.280 1.00 0.00 O ATOM 881 CB GLN A 64 -5.968 3.531 -8.031 1.00 0.00 C ATOM 882 CG GLN A 64 -6.889 4.007 -9.162 1.00 0.00 C ATOM 883 CD GLN A 64 -8.029 3.035 -9.437 1.00 0.00 C ATOM 884 OE1 GLN A 64 -9.180 3.315 -9.116 1.00 0.00 O ATOM 885 NE2 GLN A 64 -7.717 1.879 -10.013 1.00 0.00 N ATOM 0 H GLN A 64 -4.749 3.840 -5.939 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.404 4.308 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.100 4.188 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.598 2.533 -8.266 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.302 4.982 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.303 4.140 -10.071 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.749 1.680 -10.266 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.445 1.190 -10.202 1.00 0.00 H new ATOM 894 N LEU A 65 -8.745 2.251 -6.354 1.00 0.00 N ATOM 895 CA LEU A 65 -9.605 1.112 -6.058 1.00 0.00 C ATOM 896 C LEU A 65 -9.369 0.579 -4.636 1.00 0.00 C ATOM 897 O LEU A 65 -9.641 -0.585 -4.353 1.00 0.00 O ATOM 898 CB LEU A 65 -9.477 0.033 -7.156 1.00 0.00 C ATOM 899 CG LEU A 65 -10.800 -0.598 -7.630 1.00 0.00 C ATOM 900 CD1 LEU A 65 -11.576 -1.304 -6.513 1.00 0.00 C ATOM 901 CD2 LEU A 65 -11.705 0.417 -8.344 1.00 0.00 C ATOM 0 H LEU A 65 -9.262 3.116 -6.511 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.643 1.444 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.978 0.475 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.829 -0.761 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.503 -1.363 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.496 -1.724 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.965 -2.104 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.820 -0.586 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.625 -0.075 -8.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.945 1.233 -7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.188 0.814 -9.218 1.00 0.00 H new ATOM 913 N PHE A 66 -8.963 1.454 -3.708 1.00 0.00 N ATOM 914 CA PHE A 66 -8.969 1.193 -2.272 1.00 0.00 C ATOM 915 C PHE A 66 -9.855 2.266 -1.614 1.00 0.00 C ATOM 916 O PHE A 66 -9.359 3.130 -0.897 1.00 0.00 O ATOM 917 CB PHE A 66 -7.506 1.189 -1.769 1.00 0.00 C ATOM 918 CG PHE A 66 -7.112 0.065 -0.826 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.963 -0.344 0.218 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.845 -0.535 -0.965 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.589 -1.420 1.045 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.453 -1.575 -0.107 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.352 -2.059 0.858 1.00 0.00 C ATOM 0 H PHE A 66 -8.614 2.383 -3.945 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.386 0.220 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.848 1.151 -2.637 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.316 2.137 -1.266 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.900 0.166 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.171 -0.193 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.255 -1.755 1.826 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.464 -2.001 -0.189 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.093 -2.921 1.455 1.00 0.00 H new ATOM 933 N PRO A 67 -11.170 2.274 -1.896 1.00 0.00 N ATOM 934 CA PRO A 67 -12.018 3.424 -1.623 1.00 0.00 C ATOM 935 C PRO A 67 -12.328 3.568 -0.138 1.00 0.00 C ATOM 936 O PRO A 67 -12.415 2.584 0.593 1.00 0.00 O ATOM 937 CB PRO A 67 -13.301 3.190 -2.420 1.00 0.00 C ATOM 938 CG PRO A 67 -13.390 1.666 -2.489 1.00 0.00 C ATOM 939 CD PRO A 67 -11.923 1.247 -2.598 1.00 0.00 C ATOM 0 HA PRO A 67 -11.517 4.348 -1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.169 3.623 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.246 3.636 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.866 1.248 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.971 1.333 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.761 0.267 -2.150 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.612 1.176 -3.640 1.00 0.00 H new ATOM 947 N GLY A 68 -12.500 4.814 0.310 1.00 0.00 N ATOM 948 CA GLY A 68 -12.909 5.163 1.664 1.00 0.00 C ATOM 949 C GLY A 68 -11.755 5.062 2.659 1.00 0.00 C ATOM 950 O GLY A 68 -11.574 5.932 3.508 1.00 0.00 O ATOM 0 H GLY A 68 -12.352 5.631 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.305 6.178 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.717 4.503 1.979 1.00 0.00 H new ATOM 954 N LYS A 69 -10.992 3.977 2.563 1.00 0.00 N ATOM 955 CA LYS A 69 -9.868 3.684 3.435 1.00 0.00 C ATOM 956 C LYS A 69 -8.638 4.480 2.966 1.00 0.00 C ATOM 957 O LYS A 69 -8.611 4.966 1.838 1.00 0.00 O ATOM 958 CB LYS A 69 -9.567 2.174 3.433 1.00 0.00 C ATOM 959 CG LYS A 69 -10.756 1.292 3.023 1.00 0.00 C ATOM 960 CD LYS A 69 -10.584 -0.149 3.511 1.00 0.00 C ATOM 961 CE LYS A 69 -11.573 -1.085 2.800 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.337 -2.491 3.170 1.00 0.00 N ATOM 0 H LYS A 69 -11.146 3.259 1.855 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.117 3.978 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.736 1.982 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.238 1.880 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.676 1.708 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.858 1.299 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.563 -0.482 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.743 -0.195 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.594 -0.804 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.475 -0.969 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.701 -3.113 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.316 -2.652 3.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.827 -2.702 4.063 1.00 0.00 H new ATOM 976 N LEU A 70 -7.607 4.581 3.808 1.00 0.00 N ATOM 977 CA LEU A 70 -6.321 5.175 3.466 1.00 0.00 C ATOM 978 C LEU A 70 -5.223 4.149 3.731 1.00 0.00 C ATOM 979 O LEU A 70 -5.134 3.605 4.832 1.00 0.00 O ATOM 980 CB LEU A 70 -6.069 6.426 4.314 1.00 0.00 C ATOM 981 CG LEU A 70 -7.110 7.533 4.093 1.00 0.00 C ATOM 982 CD1 LEU A 70 -6.962 8.554 5.220 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.936 8.223 2.734 1.00 0.00 C ATOM 0 H LEU A 70 -7.649 4.242 4.769 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.323 5.463 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.065 6.147 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.078 6.818 4.084 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.105 7.088 4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.692 9.352 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.132 8.065 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.957 8.974 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.693 8.999 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.945 8.673 2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.046 7.488 1.936 1.00 0.00 H new ATOM 995 N ILE A 71 -4.388 3.880 2.732 1.00 0.00 N ATOM 996 CA ILE A 71 -3.202 3.050 2.878 1.00 0.00 C ATOM 997 C ILE A 71 -2.104 3.874 3.547 1.00 0.00 C ATOM 998 O ILE A 71 -2.172 5.102 3.549 1.00 0.00 O ATOM 999 CB ILE A 71 -2.728 2.579 1.497 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.604 3.767 0.527 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.682 1.525 0.924 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.457 3.542 -0.442 1.00 0.00 C ATOM 0 H ILE A 71 -4.520 4.238 1.786 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.433 2.178 3.489 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.744 2.126 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.535 3.893 -0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.439 4.687 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.326 1.206 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.720 0.666 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.680 1.953 0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.383 4.391 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.525 3.440 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.638 2.633 -1.016 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.072 3.220 4.081 1.00 0.00 N ATOM 1015 CA ASN A 72 0.132 3.906 4.516 1.00 0.00 C ATOM 1016 C ASN A 72 1.127 3.886 3.354 1.00 0.00 C ATOM 1017 O ASN A 72 1.329 2.829 2.763 1.00 0.00 O ATOM 1018 CB ASN A 72 0.692 3.197 5.752 1.00 0.00 C ATOM 1019 CG ASN A 72 1.787 4.016 6.428 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.766 4.412 5.798 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.631 4.278 7.723 1.00 0.00 N ATOM 0 H ASN A 72 -1.052 2.210 4.221 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.072 4.941 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.114 3.013 6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.091 2.225 5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.335 4.822 8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.807 3.935 8.217 1.00 0.00 H new ATOM 1028 N VAL A 73 1.758 5.019 3.027 1.00 0.00 N ATOM 1029 CA VAL A 73 2.749 5.115 1.949 1.00 0.00 C ATOM 1030 C VAL A 73 3.837 4.052 2.087 1.00 0.00 C ATOM 1031 O VAL A 73 4.380 3.541 1.112 1.00 0.00 O ATOM 1032 CB VAL A 73 3.402 6.506 1.922 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.339 7.573 1.713 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.223 6.846 3.176 1.00 0.00 C ATOM 0 H VAL A 73 1.594 5.904 3.508 1.00 0.00 H new ATOM 0 HA VAL A 73 2.214 4.949 1.014 1.00 0.00 H new ATOM 0 HB VAL A 73 4.107 6.485 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.809 8.556 1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.828 7.397 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.616 7.531 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.648 7.844 3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.577 6.815 4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.027 6.120 3.292 1.00 0.00 H new ATOM 1044 N ASN A 74 4.180 3.757 3.335 1.00 0.00 N ATOM 1045 CA ASN A 74 5.228 2.803 3.674 1.00 0.00 C ATOM 1046 C ASN A 74 4.769 1.351 3.518 1.00 0.00 C ATOM 1047 O ASN A 74 5.559 0.448 3.790 1.00 0.00 O ATOM 1048 CB ASN A 74 5.625 3.019 5.137 1.00 0.00 C ATOM 1049 CG ASN A 74 6.218 4.394 5.389 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.358 4.676 5.036 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.426 5.252 6.011 1.00 0.00 N ATOM 0 H ASN A 74 3.733 4.178 4.149 1.00 0.00 H new ATOM 0 HA ASN A 74 6.062 2.971 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.748 2.885 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.348 2.257 5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.757 6.195 6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.485 4.971 6.285 1.00 0.00 H new ATOM 1058 N GLY A 75 3.516 1.115 3.122 1.00 0.00 N ATOM 1059 CA GLY A 75 2.986 -0.217 2.907 1.00 0.00 C ATOM 1060 C GLY A 75 3.336 -0.721 1.514 1.00 0.00 C ATOM 1061 O GLY A 75 4.126 -0.103 0.807 1.00 0.00 O ATOM 0 H GLY A 75 2.840 1.857 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.388 -0.898 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.903 -0.207 3.033 1.00 0.00 H new ATOM 1065 N TRP A 76 2.765 -1.859 1.127 1.00 0.00 N ATOM 1066 CA TRP A 76 2.898 -2.478 -0.186 1.00 0.00 C ATOM 1067 C TRP A 76 1.659 -3.348 -0.345 1.00 0.00 C ATOM 1068 O TRP A 76 1.091 -3.714 0.683 1.00 0.00 O ATOM 1069 CB TRP A 76 4.166 -3.343 -0.207 1.00 0.00 C ATOM 1070 CG TRP A 76 4.498 -4.086 -1.472 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.443 -3.707 -2.356 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.052 -5.404 -1.927 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.630 -4.686 -3.309 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.786 -5.754 -3.100 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.159 -6.375 -1.430 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.645 -6.994 -3.738 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 3.034 -7.636 -2.038 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.773 -7.948 -3.191 1.00 0.00 C ATOM 0 H TRP A 76 2.168 -2.400 1.753 1.00 0.00 H new ATOM 0 HA TRP A 76 2.979 -1.747 -0.991 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.012 -2.699 0.033 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.084 -4.074 0.597 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.978 -2.769 -2.322 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.306 -4.627 -4.070 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.558 -6.145 -0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.200 -7.212 -4.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.365 -8.371 -1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.671 -8.918 -3.655 1.00 0.00 H new ATOM 1089 N CYS A 77 1.270 -3.688 -1.580 1.00 0.00 N ATOM 1090 CA CYS A 77 0.321 -4.753 -1.889 1.00 0.00 C ATOM 1091 C CYS A 77 0.753 -5.460 -3.180 1.00 0.00 C ATOM 1092 O CYS A 77 1.625 -4.970 -3.902 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.102 -4.251 -1.970 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.480 -3.548 -3.592 1.00 0.00 S ATOM 0 H CYS A 77 1.620 -3.213 -2.412 1.00 0.00 H new ATOM 0 HA CYS A 77 0.333 -5.473 -1.070 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.788 -5.072 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.265 -3.496 -1.201 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.712 -3.135 -3.609 1.00 0.00 H new ATOM 1099 N ALA A 78 0.153 -6.617 -3.466 1.00 0.00 N ATOM 1100 CA ALA A 78 0.452 -7.453 -4.624 1.00 0.00 C ATOM 1101 C ALA A 78 0.387 -6.667 -5.933 1.00 0.00 C ATOM 1102 O ALA A 78 1.146 -6.936 -6.863 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.508 -8.644 -4.651 1.00 0.00 C ATOM 0 H ALA A 78 -0.580 -7.009 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 78 1.476 -7.814 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.287 -9.270 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.388 -9.229 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.534 -8.283 -4.718 1.00 0.00 H new ATOM 1109 N SER A 79 -0.517 -5.693 -6.015 1.00 0.00 N ATOM 1110 CA SER A 79 -0.695 -4.857 -7.187 1.00 0.00 C ATOM 1111 C SER A 79 0.438 -3.842 -7.386 1.00 0.00 C ATOM 1112 O SER A 79 0.423 -3.153 -8.408 1.00 0.00 O ATOM 1113 CB SER A 79 -2.049 -4.147 -7.089 1.00 0.00 C ATOM 1114 OG SER A 79 -3.042 -5.067 -6.677 1.00 0.00 O ATOM 0 H SER A 79 -1.154 -5.463 -5.253 1.00 0.00 H new ATOM 0 HA SER A 79 -0.668 -5.505 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.987 -3.322 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.316 -3.717 -8.055 1.00 0.00 H new ATOM 0 HG SER A 79 -3.906 -4.609 -6.614 1.00 0.00 H new ATOM 1120 N TRP A 80 1.397 -3.721 -6.450 1.00 0.00 N ATOM 1121 CA TRP A 80 2.464 -2.724 -6.518 1.00 0.00 C ATOM 1122 C TRP A 80 3.055 -2.635 -7.924 1.00 0.00 C ATOM 1123 O TRP A 80 3.429 -3.649 -8.512 1.00 0.00 O ATOM 1124 CB TRP A 80 3.580 -2.985 -5.497 1.00 0.00 C ATOM 1125 CG TRP A 80 4.641 -1.922 -5.507 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.629 -0.804 -4.748 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.797 -1.786 -6.390 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.658 0.033 -5.128 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.412 -0.520 -6.145 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.378 -2.599 -7.389 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.535 -0.084 -6.869 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.517 -2.181 -8.100 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.102 -0.932 -7.833 1.00 0.00 C ATOM 0 H TRP A 80 1.448 -4.318 -5.624 1.00 0.00 H new ATOM 0 HA TRP A 80 2.002 -1.769 -6.267 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.145 -3.048 -4.499 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.039 -3.951 -5.707 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.919 -0.596 -3.961 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.839 0.946 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.939 -3.560 -7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.957 0.893 -6.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.944 -2.824 -8.855 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.988 -0.624 -8.369 1.00 0.00 H new ATOM 1144 N THR A 81 3.102 -1.430 -8.478 1.00 0.00 N ATOM 1145 CA THR A 81 3.521 -1.166 -9.843 1.00 0.00 C ATOM 1146 C THR A 81 4.352 0.101 -9.767 1.00 0.00 C ATOM 1147 O THR A 81 3.876 1.069 -9.197 1.00 0.00 O ATOM 1148 CB THR A 81 2.249 -0.983 -10.688 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.569 -2.223 -10.755 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.529 -0.471 -12.106 1.00 0.00 C ATOM 0 H THR A 81 2.841 -0.585 -7.971 1.00 0.00 H new ATOM 0 HA THR A 81 4.108 -1.964 -10.298 1.00 0.00 H new ATOM 0 HB THR A 81 1.639 -0.222 -10.201 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.196 -2.440 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.589 -0.365 -12.647 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.028 0.497 -12.052 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.170 -1.181 -12.629 1.00 0.00 H new ATOM 1158 N LEU A 82 5.583 0.105 -10.278 1.00 0.00 N ATOM 1159 CA LEU A 82 6.455 1.265 -10.172 1.00 0.00 C ATOM 1160 C LEU A 82 5.736 2.498 -10.739 1.00 0.00 C ATOM 1161 O LEU A 82 5.304 2.473 -11.889 1.00 0.00 O ATOM 1162 CB LEU A 82 7.754 0.958 -10.926 1.00 0.00 C ATOM 1163 CG LEU A 82 8.973 1.790 -10.489 1.00 0.00 C ATOM 1164 CD1 LEU A 82 10.115 1.501 -11.470 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.739 3.306 -10.461 1.00 0.00 C ATOM 0 H LEU A 82 5.996 -0.687 -10.770 1.00 0.00 H new ATOM 0 HA LEU A 82 6.700 1.482 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.990 -0.099 -10.798 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.585 1.120 -11.991 1.00 0.00 H new ATOM 0 HG LEU A 82 9.199 1.497 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.995 2.078 -11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.355 0.438 -11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.808 1.781 -12.478 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.652 3.809 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.465 3.650 -11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.934 3.537 -9.763 1.00 0.00 H new ATOM 1177 N LYS A 83 5.576 3.549 -9.928 1.00 0.00 N ATOM 1178 CA LYS A 83 4.928 4.790 -10.332 1.00 0.00 C ATOM 1179 C LYS A 83 5.630 5.424 -11.535 1.00 0.00 C ATOM 1180 O LYS A 83 6.621 6.134 -11.386 1.00 0.00 O ATOM 1181 CB LYS A 83 4.849 5.743 -9.128 1.00 0.00 C ATOM 1182 CG LYS A 83 3.978 6.977 -9.399 1.00 0.00 C ATOM 1183 CD LYS A 83 3.729 7.774 -8.109 1.00 0.00 C ATOM 1184 CE LYS A 83 2.398 8.546 -8.130 1.00 0.00 C ATOM 1185 NZ LYS A 83 2.165 9.279 -9.393 1.00 0.00 N ATOM 0 H LYS A 83 5.899 3.556 -8.961 1.00 0.00 H new ATOM 0 HA LYS A 83 3.911 4.572 -10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.449 5.203 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.855 6.066 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.466 7.615 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.025 6.666 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.734 7.091 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.549 8.477 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.578 7.846 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.383 9.253 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.355 9.921 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.012 9.831 -9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.963 8.601 -10.156 1.00 0.00 H new