USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 28 LYS NZ :NH3+ -118:sc= 0.0373 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= 0.0077 K(o=0.045,f=-0.63) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -115:sc= -9.38! (180deg=-20.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 21 SER OG : rot -121:sc= -1.04 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -5.62! C(o=-6.1!,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.35 K(o=-0.35,f=-1.1) USER MOD Single : A 42 TYR OH : rot -86:sc= 0.271 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -170:sc= -0.393 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -164:sc= -0.174 USER MOD Single : A 62 GLN :FLIP amide:sc= -5.32 F(o=-11!,f=-5.3) USER MOD Single : A 64 SER OG : rot 37:sc= 1.19 USER MOD Single : A 67 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0131 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 5.010 9.870 4.033 1.00 61.32 N ATOM 73 CA GLU A 7 5.179 9.204 2.746 1.00 41.53 C ATOM 74 C GLU A 7 5.213 7.688 2.918 1.00 43.44 C ATOM 75 O GLU A 7 6.055 7.153 3.640 1.00 10.43 O ATOM 76 CB GLU A 7 6.466 9.681 2.067 1.00 61.50 C ATOM 77 CG GLU A 7 6.424 11.138 1.639 1.00 33.00 C ATOM 78 CD GLU A 7 7.047 11.363 0.275 1.00 42.42 C ATOM 79 OE1 GLU A 7 8.292 11.336 0.179 1.00 13.14 O ATOM 80 OE2 GLU A 7 6.289 11.567 -0.696 1.00 41.12 O ATOM 0 HA GLU A 7 4.327 9.461 2.117 1.00 41.53 H new ATOM 0 HB2 GLU A 7 7.303 9.536 2.750 1.00 61.50 H new ATOM 0 HB3 GLU A 7 6.657 9.059 1.192 1.00 61.50 H new ATOM 0 HG2 GLU A 7 5.389 11.478 1.622 1.00 33.00 H new ATOM 0 HG3 GLU A 7 6.947 11.745 2.378 1.00 33.00 H new ATOM 85 N VAL A 8 4.291 7.002 2.250 1.00 53.50 N ATOM 86 CA VAL A 8 4.215 5.549 2.328 1.00 32.53 C ATOM 87 C VAL A 8 4.752 4.902 1.056 1.00 73.22 C ATOM 88 O VAL A 8 4.276 5.180 -0.045 1.00 60.11 O ATOM 89 CB VAL A 8 2.768 5.075 2.560 1.00 62.03 C ATOM 90 CG1 VAL A 8 2.017 4.985 1.240 1.00 22.11 C ATOM 91 CG2 VAL A 8 2.756 3.736 3.283 1.00 21.25 C ATOM 0 H VAL A 8 3.587 7.430 1.649 1.00 53.50 H new ATOM 0 HA VAL A 8 4.830 5.244 3.175 1.00 32.53 H new ATOM 0 HB VAL A 8 2.261 5.806 3.189 1.00 62.03 H new ATOM 0 HG11 VAL A 8 0.997 4.649 1.424 1.00 22.11 H new ATOM 0 HG12 VAL A 8 1.996 5.966 0.766 1.00 22.11 H new ATOM 0 HG13 VAL A 8 2.520 4.276 0.583 1.00 22.11 H new ATOM 0 HG21 VAL A 8 1.726 3.416 3.439 1.00 21.25 H new ATOM 0 HG22 VAL A 8 3.280 2.993 2.682 1.00 21.25 H new ATOM 0 HG23 VAL A 8 3.254 3.839 4.247 1.00 21.25 H new ATOM 101 N THR A 9 5.748 4.035 1.215 1.00 14.44 N ATOM 102 CA THR A 9 6.351 3.348 0.080 1.00 50.11 C ATOM 103 C THR A 9 6.353 1.839 0.289 1.00 73.21 C ATOM 104 O THR A 9 6.544 1.358 1.405 1.00 70.44 O ATOM 105 CB THR A 9 7.797 3.824 -0.160 1.00 71.54 C ATOM 106 OG1 THR A 9 8.607 3.525 0.982 1.00 53.24 O ATOM 107 CG2 THR A 9 7.836 5.318 -0.439 1.00 23.14 C ATOM 0 H THR A 9 6.154 3.792 2.119 1.00 14.44 H new ATOM 0 HA THR A 9 5.746 3.590 -0.794 1.00 50.11 H new ATOM 0 HB THR A 9 8.189 3.298 -1.031 1.00 71.54 H new ATOM 0 HG1 THR A 9 9.525 3.829 0.821 1.00 53.24 H new ATOM 0 HG21 THR A 9 8.867 5.630 -0.605 1.00 23.14 H new ATOM 0 HG22 THR A 9 7.243 5.538 -1.327 1.00 23.14 H new ATOM 0 HG23 THR A 9 7.426 5.858 0.414 1.00 23.14 H new ATOM 115 N MET A 10 6.139 1.096 -0.792 1.00 35.21 N ATOM 116 CA MET A 10 6.118 -0.361 -0.726 1.00 34.14 C ATOM 117 C MET A 10 7.333 -0.955 -1.433 1.00 50.44 C ATOM 118 O MET A 10 7.442 -0.896 -2.658 1.00 42.25 O ATOM 119 CB MET A 10 4.833 -0.902 -1.356 1.00 64.54 C ATOM 120 CG MET A 10 3.648 0.040 -1.223 1.00 21.21 C ATOM 121 SD MET A 10 3.070 0.195 0.478 1.00 54.43 S ATOM 122 CE MET A 10 3.292 1.951 0.752 1.00 20.33 C ATOM 0 H MET A 10 5.978 1.478 -1.724 1.00 35.21 H new ATOM 0 HA MET A 10 6.151 -0.653 0.324 1.00 34.14 H new ATOM 0 HB2 MET A 10 5.012 -1.101 -2.413 1.00 64.54 H new ATOM 0 HB3 MET A 10 4.583 -1.855 -0.890 1.00 64.54 H new ATOM 0 HG2 MET A 10 3.928 1.024 -1.599 1.00 21.21 H new ATOM 0 HG3 MET A 10 2.831 -0.320 -1.849 1.00 21.21 H new ATOM 0 HE1 MET A 10 4.050 2.106 1.520 1.00 20.33 H new ATOM 0 HE2 MET A 10 3.612 2.426 -0.175 1.00 20.33 H new ATOM 0 HE3 MET A 10 2.349 2.390 1.078 1.00 20.33 H new ATOM 130 N LYS A 11 8.245 -1.525 -0.653 1.00 62.22 N ATOM 131 CA LYS A 11 9.452 -2.131 -1.203 1.00 44.23 C ATOM 132 C LYS A 11 9.227 -3.608 -1.513 1.00 45.33 C ATOM 133 O LYS A 11 8.851 -4.387 -0.636 1.00 1.45 O ATOM 134 CB LYS A 11 10.617 -1.976 -0.222 1.00 71.51 C ATOM 135 CG LYS A 11 11.972 -1.867 -0.900 1.00 31.24 C ATOM 136 CD LYS A 11 13.064 -1.507 0.093 1.00 33.00 C ATOM 137 CE LYS A 11 14.311 -2.351 -0.120 1.00 63.32 C ATOM 138 NZ LYS A 11 15.017 -1.991 -1.380 1.00 71.54 N ATOM 0 H LYS A 11 8.171 -1.580 0.363 1.00 62.22 H new ATOM 0 HA LYS A 11 9.696 -1.616 -2.132 1.00 44.23 H new ATOM 0 HB2 LYS A 11 10.452 -1.087 0.387 1.00 71.51 H new ATOM 0 HB3 LYS A 11 10.627 -2.830 0.456 1.00 71.51 H new ATOM 0 HG2 LYS A 11 12.216 -2.813 -1.383 1.00 31.24 H new ATOM 0 HG3 LYS A 11 11.928 -1.111 -1.684 1.00 31.24 H new ATOM 0 HD2 LYS A 11 13.316 -0.451 -0.009 1.00 33.00 H new ATOM 0 HD3 LYS A 11 12.695 -1.650 1.109 1.00 33.00 H new ATOM 0 HE2 LYS A 11 14.987 -2.220 0.725 1.00 63.32 H new ATOM 0 HE3 LYS A 11 14.035 -3.405 -0.147 1.00 63.32 H new ATOM 0 HZ1 LYS A 11 15.861 -2.589 -1.488 1.00 71.54 H new ATOM 0 HZ2 LYS A 11 14.381 -2.140 -2.189 1.00 71.54 H new ATOM 0 HZ3 LYS A 11 15.303 -0.992 -1.344 1.00 71.54 H new ATOM 148 N LYS A 12 9.461 -3.986 -2.765 1.00 63.42 N ATOM 149 CA LYS A 12 9.287 -5.371 -3.190 1.00 3.15 C ATOM 150 C LYS A 12 9.826 -6.335 -2.139 1.00 43.21 C ATOM 151 O LYS A 12 11.018 -6.338 -1.838 1.00 52.04 O ATOM 152 CB LYS A 12 9.996 -5.607 -4.526 1.00 25.02 C ATOM 153 CG LYS A 12 9.390 -6.734 -5.345 1.00 62.34 C ATOM 154 CD LYS A 12 9.462 -6.442 -6.834 1.00 23.55 C ATOM 155 CE LYS A 12 9.458 -7.723 -7.654 1.00 64.13 C ATOM 156 NZ LYS A 12 10.771 -7.962 -8.314 1.00 33.54 N ATOM 0 H LYS A 12 9.771 -3.354 -3.503 1.00 63.42 H new ATOM 0 HA LYS A 12 8.220 -5.557 -3.313 1.00 3.15 H new ATOM 0 HB2 LYS A 12 9.967 -4.688 -5.111 1.00 25.02 H new ATOM 0 HB3 LYS A 12 11.046 -5.831 -4.336 1.00 25.02 H new ATOM 0 HG2 LYS A 12 9.915 -7.664 -5.130 1.00 62.34 H new ATOM 0 HG3 LYS A 12 8.350 -6.880 -5.052 1.00 62.34 H new ATOM 0 HD2 LYS A 12 8.616 -5.820 -7.125 1.00 23.55 H new ATOM 0 HD3 LYS A 12 10.366 -5.873 -7.051 1.00 23.55 H new ATOM 0 HE2 LYS A 12 9.217 -8.567 -7.008 1.00 64.13 H new ATOM 0 HE3 LYS A 12 8.676 -7.667 -8.411 1.00 64.13 H new ATOM 0 HZ1 LYS A 12 10.728 -8.844 -8.863 1.00 33.54 H new ATOM 0 HZ2 LYS A 12 10.989 -7.169 -8.950 1.00 33.54 H new ATOM 0 HZ3 LYS A 12 11.514 -8.040 -7.591 1.00 33.54 H new ATOM 166 N GLY A 13 8.937 -7.155 -1.584 1.00 10.33 N ATOM 167 CA GLY A 13 9.343 -8.114 -0.574 1.00 61.34 C ATOM 168 C GLY A 13 9.196 -7.571 0.834 1.00 40.13 C ATOM 169 O GLY A 13 10.136 -7.620 1.627 1.00 52.25 O ATOM 0 H GLY A 13 7.944 -7.171 -1.816 1.00 10.33 H new ATOM 0 HA2 GLY A 13 8.744 -9.019 -0.675 1.00 61.34 H new ATOM 0 HA3 GLY A 13 10.381 -8.398 -0.744 1.00 61.34 H new ATOM 173 N ASP A 14 8.014 -7.049 1.144 1.00 71.10 N ATOM 174 CA ASP A 14 7.747 -6.493 2.465 1.00 72.34 C ATOM 175 C ASP A 14 6.270 -6.628 2.823 1.00 73.21 C ATOM 176 O ASP A 14 5.408 -6.653 1.944 1.00 30.20 O ATOM 177 CB ASP A 14 8.165 -5.023 2.518 1.00 61.33 C ATOM 178 CG ASP A 14 8.716 -4.626 3.873 1.00 51.43 C ATOM 179 OD1 ASP A 14 9.925 -4.837 4.108 1.00 5.32 O ATOM 180 OD2 ASP A 14 7.939 -4.105 4.699 1.00 44.41 O ATOM 0 H ASP A 14 7.226 -6.999 0.498 1.00 71.10 H new ATOM 0 HA ASP A 14 8.332 -7.055 3.193 1.00 72.34 H new ATOM 0 HB2 ASP A 14 8.919 -4.835 1.753 1.00 61.33 H new ATOM 0 HB3 ASP A 14 7.306 -4.395 2.280 1.00 61.33 H new ATOM 184 N ILE A 15 5.985 -6.715 4.119 1.00 35.03 N ATOM 185 CA ILE A 15 4.613 -6.847 4.591 1.00 11.40 C ATOM 186 C ILE A 15 4.116 -5.542 5.205 1.00 21.34 C ATOM 187 O ILE A 15 4.609 -5.104 6.244 1.00 11.25 O ATOM 188 CB ILE A 15 4.483 -7.973 5.633 1.00 31.41 C ATOM 189 CG1 ILE A 15 5.074 -9.274 5.087 1.00 23.42 C ATOM 190 CG2 ILE A 15 3.025 -8.169 6.022 1.00 22.25 C ATOM 191 CD1 ILE A 15 5.721 -10.137 6.147 1.00 53.32 C ATOM 0 H ILE A 15 6.686 -6.696 4.860 1.00 35.03 H new ATOM 0 HA ILE A 15 4.002 -7.094 3.723 1.00 11.40 H new ATOM 0 HB ILE A 15 5.042 -7.689 6.525 1.00 31.41 H new ATOM 0 HG12 ILE A 15 4.285 -9.845 4.598 1.00 23.42 H new ATOM 0 HG13 ILE A 15 5.814 -9.035 4.324 1.00 23.42 H new ATOM 0 HG21 ILE A 15 2.949 -8.968 6.759 1.00 22.25 H new ATOM 0 HG22 ILE A 15 2.635 -7.245 6.448 1.00 22.25 H new ATOM 0 HG23 ILE A 15 2.445 -8.435 5.138 1.00 22.25 H new ATOM 0 HD11 ILE A 15 6.118 -11.042 5.687 1.00 53.32 H new ATOM 0 HD12 ILE A 15 6.533 -9.585 6.620 1.00 53.32 H new ATOM 0 HD13 ILE A 15 4.979 -10.407 6.899 1.00 53.32 H new ATOM 202 N LEU A 16 3.133 -4.927 4.555 1.00 62.12 N ATOM 203 CA LEU A 16 2.566 -3.673 5.037 1.00 41.02 C ATOM 204 C LEU A 16 1.140 -3.877 5.539 1.00 31.31 C ATOM 205 O LEU A 16 0.307 -4.470 4.852 1.00 64.33 O ATOM 206 CB LEU A 16 2.582 -2.623 3.924 1.00 45.24 C ATOM 207 CG LEU A 16 3.715 -2.742 2.905 1.00 22.22 C ATOM 208 CD1 LEU A 16 3.187 -3.273 1.581 1.00 73.11 C ATOM 209 CD2 LEU A 16 4.399 -1.397 2.708 1.00 22.12 C ATOM 0 H LEU A 16 2.713 -5.277 3.694 1.00 62.12 H new ATOM 0 HA LEU A 16 3.177 -3.322 5.869 1.00 41.02 H new ATOM 0 HB2 LEU A 16 1.633 -2.674 3.390 1.00 45.24 H new ATOM 0 HB3 LEU A 16 2.636 -1.636 4.384 1.00 45.24 H new ATOM 0 HG LEU A 16 4.451 -3.448 3.289 1.00 22.22 H new ATOM 0 HD11 LEU A 16 4.007 -3.351 0.867 1.00 73.11 H new ATOM 0 HD12 LEU A 16 2.744 -4.257 1.734 1.00 73.11 H new ATOM 0 HD13 LEU A 16 2.431 -2.592 1.191 1.00 73.11 H new ATOM 0 HD21 LEU A 16 5.203 -1.501 1.979 1.00 22.12 H new ATOM 0 HD22 LEU A 16 3.673 -0.669 2.346 1.00 22.12 H new ATOM 0 HD23 LEU A 16 4.812 -1.056 3.657 1.00 22.12 H new ATOM 220 N THR A 17 0.863 -3.379 6.740 1.00 34.40 N ATOM 221 CA THR A 17 -0.462 -3.507 7.333 1.00 0.10 C ATOM 222 C THR A 17 -1.554 -3.264 6.298 1.00 12.13 C ATOM 223 O THR A 17 -1.523 -2.271 5.570 1.00 25.13 O ATOM 224 CB THR A 17 -0.651 -2.521 8.502 1.00 73.43 C ATOM 225 OG1 THR A 17 0.412 -2.677 9.450 1.00 13.14 O ATOM 226 CG2 THR A 17 -1.988 -2.748 9.191 1.00 62.41 C ATOM 0 H THR A 17 1.539 -2.883 7.321 1.00 34.40 H new ATOM 0 HA THR A 17 -0.543 -4.527 7.709 1.00 0.10 H new ATOM 0 HB THR A 17 -0.635 -1.508 8.100 1.00 73.43 H new ATOM 0 HG1 THR A 17 0.286 -2.046 10.189 1.00 13.14 H new ATOM 0 HG21 THR A 17 -2.099 -2.040 10.013 1.00 62.41 H new ATOM 0 HG22 THR A 17 -2.796 -2.601 8.474 1.00 62.41 H new ATOM 0 HG23 THR A 17 -2.029 -3.765 9.580 1.00 62.41 H new ATOM 234 N LEU A 18 -2.518 -4.175 6.236 1.00 72.40 N ATOM 235 CA LEU A 18 -3.622 -4.060 5.289 1.00 54.10 C ATOM 236 C LEU A 18 -4.602 -2.977 5.725 1.00 44.23 C ATOM 237 O LEU A 18 -5.773 -3.255 5.994 1.00 14.42 O ATOM 238 CB LEU A 18 -4.348 -5.399 5.157 1.00 71.01 C ATOM 239 CG LEU A 18 -5.277 -5.543 3.950 1.00 12.53 C ATOM 240 CD1 LEU A 18 -6.698 -5.150 4.321 1.00 2.24 C ATOM 241 CD2 LEU A 18 -4.774 -4.699 2.788 1.00 32.12 C ATOM 0 H LEU A 18 -2.558 -5.003 6.831 1.00 72.40 H new ATOM 0 HA LEU A 18 -3.209 -3.781 4.319 1.00 54.10 H new ATOM 0 HB2 LEU A 18 -3.601 -6.192 5.112 1.00 71.01 H new ATOM 0 HB3 LEU A 18 -4.933 -5.563 6.062 1.00 71.01 H new ATOM 0 HG LEU A 18 -5.281 -6.588 3.640 1.00 12.53 H new ATOM 0 HD11 LEU A 18 -7.345 -5.259 3.450 1.00 2.24 H new ATOM 0 HD12 LEU A 18 -7.057 -5.796 5.122 1.00 2.24 H new ATOM 0 HD13 LEU A 18 -6.713 -4.113 4.657 1.00 2.24 H new ATOM 0 HD21 LEU A 18 -5.446 -4.813 1.938 1.00 32.12 H new ATOM 0 HD22 LEU A 18 -4.741 -3.651 3.087 1.00 32.12 H new ATOM 0 HD23 LEU A 18 -3.774 -5.027 2.506 1.00 32.12 H new ATOM 252 N LEU A 19 -4.119 -1.741 5.794 1.00 62.32 N ATOM 253 CA LEU A 19 -4.954 -0.614 6.196 1.00 25.54 C ATOM 254 C LEU A 19 -6.250 -0.582 5.393 1.00 34.34 C ATOM 255 O LEU A 19 -6.507 -1.466 4.575 1.00 12.04 O ATOM 256 CB LEU A 19 -4.195 0.700 6.011 1.00 53.12 C ATOM 257 CG LEU A 19 -3.385 1.183 7.217 1.00 24.23 C ATOM 258 CD1 LEU A 19 -2.521 0.058 7.764 1.00 30.40 C ATOM 259 CD2 LEU A 19 -2.527 2.381 6.838 1.00 21.43 C ATOM 0 H LEU A 19 -3.154 -1.494 5.577 1.00 62.32 H new ATOM 0 HA LEU A 19 -5.204 -0.737 7.250 1.00 25.54 H new ATOM 0 HB2 LEU A 19 -3.518 0.589 5.164 1.00 53.12 H new ATOM 0 HB3 LEU A 19 -4.912 1.477 5.746 1.00 53.12 H new ATOM 0 HG LEU A 19 -4.080 1.492 7.997 1.00 24.23 H new ATOM 0 HD11 LEU A 19 -1.952 0.420 8.621 1.00 30.40 H new ATOM 0 HD12 LEU A 19 -3.157 -0.771 8.074 1.00 30.40 H new ATOM 0 HD13 LEU A 19 -1.833 -0.282 6.990 1.00 30.40 H new ATOM 0 HD21 LEU A 19 -1.958 2.711 7.707 1.00 21.43 H new ATOM 0 HD22 LEU A 19 -1.840 2.099 6.041 1.00 21.43 H new ATOM 0 HD23 LEU A 19 -3.168 3.193 6.494 1.00 21.43 H new ATOM 270 N ASN A 20 -7.063 0.442 5.629 1.00 70.50 N ATOM 271 CA ASN A 20 -8.332 0.590 4.926 1.00 21.13 C ATOM 272 C ASN A 20 -8.169 0.286 3.439 1.00 41.43 C ATOM 273 O ASN A 20 -7.700 1.127 2.672 1.00 21.31 O ATOM 274 CB ASN A 20 -8.880 2.006 5.111 1.00 4.52 C ATOM 275 CG ASN A 20 -10.301 2.012 5.641 1.00 10.20 C ATOM 276 OD1 ASN A 20 -11.264 1.800 4.752 1.00 4.31 O flip ATOM 277 ND2 ASN A 20 -10.529 2.204 6.835 1.00 33.42 N flip ATOM 0 H ASN A 20 -6.866 1.182 6.302 1.00 70.50 H new ATOM 0 HA ASN A 20 -9.038 -0.124 5.350 1.00 21.13 H new ATOM 0 HB2 ASN A 20 -8.236 2.555 5.799 1.00 4.52 H new ATOM 0 HB3 ASN A 20 -8.849 2.532 4.157 1.00 4.52 H new ATOM 0 HD21 ASN A 20 -9.757 2.363 7.483 1.00 33.42 H new ATOM 0 HD22 ASN A 20 -11.490 2.204 7.177 1.00 33.42 H new ATOM 283 N SER A 21 -8.558 -0.921 3.041 1.00 25.12 N ATOM 284 CA SER A 21 -8.453 -1.336 1.648 1.00 72.35 C ATOM 285 C SER A 21 -9.786 -1.164 0.927 1.00 0.14 C ATOM 286 O SER A 21 -10.084 -1.876 -0.034 1.00 45.14 O ATOM 287 CB SER A 21 -8.000 -2.795 1.563 1.00 33.44 C ATOM 288 OG SER A 21 -6.587 -2.887 1.484 1.00 24.01 O ATOM 0 H SER A 21 -8.949 -1.628 3.664 1.00 25.12 H new ATOM 0 HA SER A 21 -7.712 -0.702 1.161 1.00 72.35 H new ATOM 0 HB2 SER A 21 -8.355 -3.341 2.437 1.00 33.44 H new ATOM 0 HB3 SER A 21 -8.448 -3.268 0.689 1.00 33.44 H new ATOM 0 HG SER A 21 -6.335 -3.353 0.660 1.00 24.01 H new ATOM 293 N THR A 22 -10.587 -0.212 1.396 1.00 52.34 N ATOM 294 CA THR A 22 -11.889 0.056 0.798 1.00 61.23 C ATOM 295 C THR A 22 -11.768 0.282 -0.704 1.00 72.41 C ATOM 296 O THR A 22 -12.443 -0.375 -1.496 1.00 21.30 O ATOM 297 CB THR A 22 -12.559 1.286 1.439 1.00 22.31 C ATOM 298 OG1 THR A 22 -13.680 1.699 0.650 1.00 64.21 O ATOM 299 CG2 THR A 22 -11.571 2.436 1.566 1.00 70.43 C ATOM 0 H THR A 22 -10.356 0.387 2.189 1.00 52.34 H new ATOM 0 HA THR A 22 -12.508 -0.822 0.981 1.00 61.23 H new ATOM 0 HB THR A 22 -12.899 1.009 2.437 1.00 22.31 H new ATOM 0 HG1 THR A 22 -14.102 2.480 1.065 1.00 64.21 H new ATOM 0 HG21 THR A 22 -12.067 3.293 2.021 1.00 70.43 H new ATOM 0 HG22 THR A 22 -10.733 2.128 2.191 1.00 70.43 H new ATOM 0 HG23 THR A 22 -11.205 2.712 0.577 1.00 70.43 H new ATOM 307 N ASN A 23 -10.904 1.214 -1.090 1.00 44.21 N ATOM 308 CA ASN A 23 -10.695 1.527 -2.499 1.00 41.01 C ATOM 309 C ASN A 23 -10.274 0.282 -3.276 1.00 1.00 C ATOM 310 O ASN A 23 -9.179 -0.244 -3.080 1.00 63.40 O ATOM 311 CB ASN A 23 -9.633 2.618 -2.649 1.00 4.45 C ATOM 312 CG ASN A 23 -10.217 3.930 -3.136 1.00 31.25 C ATOM 313 OD1 ASN A 23 -10.241 4.114 -4.452 1.00 61.12 O flip ATOM 314 ND2 ASN A 23 -10.642 4.767 -2.341 1.00 42.32 N flip ATOM 0 H ASN A 23 -10.337 1.766 -0.447 1.00 44.21 H new ATOM 0 HA ASN A 23 -11.638 1.889 -2.909 1.00 41.01 H new ATOM 0 HB2 ASN A 23 -9.141 2.776 -1.689 1.00 4.45 H new ATOM 0 HB3 ASN A 23 -8.867 2.282 -3.348 1.00 4.45 H new ATOM 0 HD21 ASN A 23 -10.604 4.584 -1.338 1.00 42.32 H new ATOM 0 HD22 ASN A 23 -11.033 5.644 -2.684 1.00 42.32 H new ATOM 320 N LYS A 24 -11.153 -0.182 -4.158 1.00 14.31 N ATOM 321 CA LYS A 24 -10.873 -1.363 -4.966 1.00 13.34 C ATOM 322 C LYS A 24 -9.682 -1.122 -5.888 1.00 71.22 C ATOM 323 O LYS A 24 -8.962 -2.056 -6.245 1.00 22.03 O ATOM 324 CB LYS A 24 -12.103 -1.742 -5.794 1.00 62.41 C ATOM 325 CG LYS A 24 -12.207 -0.989 -7.109 1.00 50.12 C ATOM 326 CD LYS A 24 -13.617 -1.045 -7.674 1.00 52.34 C ATOM 327 CE LYS A 24 -13.754 -2.136 -8.724 1.00 41.12 C ATOM 328 NZ LYS A 24 -14.562 -3.285 -8.227 1.00 3.43 N ATOM 0 H LYS A 24 -12.065 0.242 -4.331 1.00 14.31 H new ATOM 0 HA LYS A 24 -10.628 -2.184 -4.292 1.00 13.34 H new ATOM 0 HB2 LYS A 24 -12.077 -2.812 -5.999 1.00 62.41 H new ATOM 0 HB3 LYS A 24 -13.000 -1.552 -5.204 1.00 62.41 H new ATOM 0 HG2 LYS A 24 -11.916 0.050 -6.958 1.00 50.12 H new ATOM 0 HG3 LYS A 24 -11.508 -1.415 -7.829 1.00 50.12 H new ATOM 0 HD2 LYS A 24 -14.327 -1.225 -6.866 1.00 52.34 H new ATOM 0 HD3 LYS A 24 -13.872 -0.081 -8.114 1.00 52.34 H new ATOM 0 HE2 LYS A 24 -14.221 -1.723 -9.618 1.00 41.12 H new ATOM 0 HE3 LYS A 24 -12.764 -2.487 -9.015 1.00 41.12 H new ATOM 0 HZ1 LYS A 24 -14.632 -4.008 -8.972 1.00 3.43 H new ATOM 0 HZ2 LYS A 24 -14.103 -3.695 -7.389 1.00 3.43 H new ATOM 0 HZ3 LYS A 24 -15.515 -2.955 -7.973 1.00 3.43 H new ATOM 338 N ASP A 25 -9.478 0.134 -6.268 1.00 32.31 N ATOM 339 CA ASP A 25 -8.372 0.497 -7.147 1.00 61.33 C ATOM 340 C ASP A 25 -7.174 0.986 -6.337 1.00 30.53 C ATOM 341 O ASP A 25 -6.132 1.327 -6.898 1.00 4.02 O ATOM 342 CB ASP A 25 -8.811 1.579 -8.135 1.00 74.24 C ATOM 343 CG ASP A 25 -10.020 1.164 -8.948 1.00 60.54 C ATOM 344 OD1 ASP A 25 -9.839 0.459 -9.962 1.00 61.42 O ATOM 345 OD2 ASP A 25 -11.148 1.544 -8.571 1.00 22.34 O ATOM 0 H ASP A 25 -10.064 0.918 -5.981 1.00 32.31 H new ATOM 0 HA ASP A 25 -8.075 -0.392 -7.703 1.00 61.33 H new ATOM 0 HB2 ASP A 25 -9.041 2.494 -7.589 1.00 74.24 H new ATOM 0 HB3 ASP A 25 -7.985 1.809 -8.808 1.00 74.24 H new ATOM 349 N TRP A 26 -7.330 1.015 -5.019 1.00 13.41 N ATOM 350 CA TRP A 26 -6.261 1.463 -4.133 1.00 72.01 C ATOM 351 C TRP A 26 -6.444 0.896 -2.730 1.00 24.11 C ATOM 352 O TRP A 26 -7.472 1.120 -2.090 1.00 53.34 O ATOM 353 CB TRP A 26 -6.222 2.992 -4.078 1.00 31.44 C ATOM 354 CG TRP A 26 -5.819 3.622 -5.377 1.00 52.21 C ATOM 355 CD1 TRP A 26 -6.603 3.799 -6.481 1.00 74.14 C ATOM 356 CD2 TRP A 26 -4.532 4.157 -5.707 1.00 65.33 C ATOM 357 NE1 TRP A 26 -5.882 4.412 -7.477 1.00 53.21 N ATOM 358 CE2 TRP A 26 -4.609 4.643 -7.026 1.00 2.30 C ATOM 359 CE3 TRP A 26 -3.324 4.276 -5.014 1.00 33.30 C ATOM 360 CZ2 TRP A 26 -3.523 5.235 -7.665 1.00 72.22 C ATOM 361 CZ3 TRP A 26 -2.247 4.863 -5.650 1.00 62.45 C ATOM 362 CH2 TRP A 26 -2.353 5.338 -6.964 1.00 54.24 C ATOM 0 H TRP A 26 -8.185 0.734 -4.540 1.00 13.41 H new ATOM 0 HA TRP A 26 -5.315 1.097 -4.532 1.00 72.01 H new ATOM 0 HB2 TRP A 26 -7.206 3.364 -3.792 1.00 31.44 H new ATOM 0 HB3 TRP A 26 -5.525 3.303 -3.300 1.00 31.44 H new ATOM 0 HD1 TRP A 26 -7.638 3.501 -6.560 1.00 74.14 H new ATOM 0 HE1 TRP A 26 -6.237 4.656 -8.402 1.00 53.21 H new ATOM 0 HE3 TRP A 26 -3.234 3.916 -4.000 1.00 33.30 H new ATOM 0 HZ2 TRP A 26 -3.602 5.600 -8.678 1.00 72.22 H new ATOM 0 HZ3 TRP A 26 -1.308 4.957 -5.126 1.00 62.45 H new ATOM 0 HH2 TRP A 26 -1.494 5.795 -7.433 1.00 54.24 H new ATOM 372 N TRP A 27 -5.442 0.163 -2.258 1.00 64.42 N ATOM 373 CA TRP A 27 -5.495 -0.435 -0.928 1.00 31.13 C ATOM 374 C TRP A 27 -4.549 0.281 0.028 1.00 54.54 C ATOM 375 O TRP A 27 -3.332 0.264 -0.157 1.00 51.21 O ATOM 376 CB TRP A 27 -5.137 -1.921 -1.001 1.00 63.42 C ATOM 377 CG TRP A 27 -6.333 -2.813 -1.149 1.00 74.03 C ATOM 378 CD1 TRP A 27 -7.593 -2.439 -1.520 1.00 31.03 C ATOM 379 CD2 TRP A 27 -6.380 -4.226 -0.927 1.00 61.14 C ATOM 380 NE1 TRP A 27 -8.421 -3.536 -1.542 1.00 2.45 N ATOM 381 CE2 TRP A 27 -7.701 -4.645 -1.183 1.00 1.20 C ATOM 382 CE3 TRP A 27 -5.436 -5.180 -0.538 1.00 35.53 C ATOM 383 CZ2 TRP A 27 -8.098 -5.973 -1.062 1.00 74.22 C ATOM 384 CZ3 TRP A 27 -5.831 -6.499 -0.418 1.00 15.13 C ATOM 385 CH2 TRP A 27 -7.152 -6.886 -0.680 1.00 22.03 C ATOM 0 H TRP A 27 -4.584 -0.032 -2.775 1.00 64.42 H new ATOM 0 HA TRP A 27 -6.512 -0.331 -0.549 1.00 31.13 H new ATOM 0 HB2 TRP A 27 -4.464 -2.084 -1.843 1.00 63.42 H new ATOM 0 HB3 TRP A 27 -4.593 -2.201 -0.099 1.00 63.42 H new ATOM 0 HD1 TRP A 27 -7.894 -1.430 -1.761 1.00 31.03 H new ATOM 0 HE1 TRP A 27 -9.411 -3.526 -1.786 1.00 2.45 H new ATOM 0 HE3 TRP A 27 -4.415 -4.892 -0.335 1.00 35.53 H new ATOM 0 HZ2 TRP A 27 -9.116 -6.273 -1.262 1.00 74.22 H new ATOM 0 HZ3 TRP A 27 -5.109 -7.244 -0.117 1.00 15.13 H new ATOM 0 HH2 TRP A 27 -7.429 -7.925 -0.579 1.00 22.03 H new ATOM 395 N LYS A 28 -5.115 0.910 1.053 1.00 51.43 N ATOM 396 CA LYS A 28 -4.321 1.632 2.041 1.00 62.51 C ATOM 397 C LYS A 28 -3.447 0.673 2.843 1.00 4.34 C ATOM 398 O LYS A 28 -3.902 -0.388 3.269 1.00 75.33 O ATOM 399 CB LYS A 28 -5.235 2.416 2.985 1.00 24.12 C ATOM 400 CG LYS A 28 -4.616 3.702 3.503 1.00 21.02 C ATOM 401 CD LYS A 28 -5.276 4.159 4.793 1.00 62.15 C ATOM 402 CE LYS A 28 -4.933 5.605 5.113 1.00 43.51 C ATOM 403 NZ LYS A 28 -5.660 6.095 6.317 1.00 64.01 N ATOM 0 H LYS A 28 -6.121 0.934 1.221 1.00 51.43 H new ATOM 0 HA LYS A 28 -3.673 2.329 1.510 1.00 62.51 H new ATOM 0 HB2 LYS A 28 -6.163 2.653 2.465 1.00 24.12 H new ATOM 0 HB3 LYS A 28 -5.498 1.782 3.832 1.00 24.12 H new ATOM 0 HG2 LYS A 28 -3.550 3.551 3.672 1.00 21.02 H new ATOM 0 HG3 LYS A 28 -4.711 4.483 2.748 1.00 21.02 H new ATOM 0 HD2 LYS A 28 -6.357 4.051 4.708 1.00 62.15 H new ATOM 0 HD3 LYS A 28 -4.955 3.518 5.614 1.00 62.15 H new ATOM 0 HE2 LYS A 28 -3.859 5.696 5.275 1.00 43.51 H new ATOM 0 HE3 LYS A 28 -5.181 6.235 4.258 1.00 43.51 H new ATOM 0 HZ1 LYS A 28 -6.280 6.886 6.050 1.00 64.01 H new ATOM 0 HZ2 LYS A 28 -6.234 5.324 6.714 1.00 64.01 H new ATOM 0 HZ3 LYS A 28 -4.974 6.418 7.029 1.00 64.01 H new ATOM 413 N VAL A 29 -2.189 1.055 3.044 1.00 64.15 N ATOM 414 CA VAL A 29 -1.252 0.230 3.797 1.00 44.14 C ATOM 415 C VAL A 29 -0.279 1.091 4.594 1.00 0.24 C ATOM 416 O VAL A 29 0.180 2.129 4.117 1.00 63.21 O ATOM 417 CB VAL A 29 -0.453 -0.703 2.868 1.00 11.54 C ATOM 418 CG1 VAL A 29 -1.390 -1.623 2.101 1.00 22.12 C ATOM 419 CG2 VAL A 29 0.410 0.109 1.913 1.00 51.32 C ATOM 0 H VAL A 29 -1.796 1.930 2.696 1.00 64.15 H new ATOM 0 HA VAL A 29 -1.844 -0.374 4.484 1.00 44.14 H new ATOM 0 HB VAL A 29 0.204 -1.321 3.480 1.00 11.54 H new ATOM 0 HG11 VAL A 29 -0.808 -2.275 1.450 1.00 22.12 H new ATOM 0 HG12 VAL A 29 -1.961 -2.229 2.804 1.00 22.12 H new ATOM 0 HG13 VAL A 29 -2.074 -1.025 1.498 1.00 22.12 H new ATOM 0 HG21 VAL A 29 0.968 -0.566 1.264 1.00 51.32 H new ATOM 0 HG22 VAL A 29 -0.226 0.753 1.306 1.00 51.32 H new ATOM 0 HG23 VAL A 29 1.107 0.722 2.484 1.00 51.32 H new ATOM 429 N GLU A 30 0.033 0.653 5.810 1.00 22.22 N ATOM 430 CA GLU A 30 0.952 1.386 6.673 1.00 31.31 C ATOM 431 C GLU A 30 2.334 0.738 6.670 1.00 21.13 C ATOM 432 O GLU A 30 2.511 -0.369 6.162 1.00 51.34 O ATOM 433 CB GLU A 30 0.408 1.446 8.101 1.00 71.55 C ATOM 434 CG GLU A 30 1.351 2.118 9.085 1.00 20.30 C ATOM 435 CD GLU A 30 0.718 2.337 10.444 1.00 63.33 C ATOM 436 OE1 GLU A 30 -0.460 1.958 10.619 1.00 43.32 O ATOM 437 OE2 GLU A 30 1.400 2.885 11.334 1.00 44.54 O ATOM 0 H GLU A 30 -0.337 -0.205 6.219 1.00 22.22 H new ATOM 0 HA GLU A 30 1.044 2.400 6.285 1.00 31.31 H new ATOM 0 HB2 GLU A 30 -0.541 1.982 8.097 1.00 71.55 H new ATOM 0 HB3 GLU A 30 0.200 0.433 8.444 1.00 71.55 H new ATOM 0 HG2 GLU A 30 2.246 1.507 9.200 1.00 20.30 H new ATOM 0 HG3 GLU A 30 1.670 3.078 8.679 1.00 20.30 H new ATOM 442 N VAL A 31 3.309 1.437 7.239 1.00 53.52 N ATOM 443 CA VAL A 31 4.676 0.932 7.304 1.00 0.02 C ATOM 444 C VAL A 31 5.189 0.915 8.739 1.00 70.42 C ATOM 445 O VAL A 31 5.740 -0.084 9.200 1.00 43.30 O ATOM 446 CB VAL A 31 5.629 1.779 6.439 1.00 61.51 C ATOM 447 CG1 VAL A 31 6.353 0.903 5.427 1.00 43.11 C ATOM 448 CG2 VAL A 31 4.865 2.894 5.741 1.00 50.32 C ATOM 0 H VAL A 31 3.179 2.356 7.662 1.00 53.52 H new ATOM 0 HA VAL A 31 4.655 -0.087 6.918 1.00 0.02 H new ATOM 0 HB VAL A 31 6.376 2.233 7.090 1.00 61.51 H new ATOM 0 HG11 VAL A 31 7.022 1.519 4.825 1.00 43.11 H new ATOM 0 HG12 VAL A 31 6.933 0.144 5.952 1.00 43.11 H new ATOM 0 HG13 VAL A 31 5.624 0.418 4.778 1.00 43.11 H new ATOM 0 HG21 VAL A 31 5.553 3.482 5.134 1.00 50.32 H new ATOM 0 HG22 VAL A 31 4.095 2.462 5.101 1.00 50.32 H new ATOM 0 HG23 VAL A 31 4.398 3.537 6.487 1.00 50.32 H new ATOM 458 N ASN A 32 5.003 2.028 9.441 1.00 73.40 N ATOM 459 CA ASN A 32 5.447 2.141 10.826 1.00 74.11 C ATOM 460 C ASN A 32 5.062 3.496 11.412 1.00 22.45 C ATOM 461 O ASN A 32 4.816 3.617 12.612 1.00 62.11 O ATOM 462 CB ASN A 32 6.963 1.948 10.914 1.00 64.54 C ATOM 463 CG ASN A 32 7.722 3.250 10.749 1.00 52.50 C ATOM 464 OD1 ASN A 32 8.001 3.947 11.725 1.00 3.13 O ATOM 465 ND2 ASN A 32 8.061 3.584 9.509 1.00 64.52 N ATOM 0 H ASN A 32 4.548 2.864 9.074 1.00 73.40 H new ATOM 0 HA ASN A 32 4.953 1.361 11.405 1.00 74.11 H new ATOM 0 HB2 ASN A 32 7.215 1.503 11.877 1.00 64.54 H new ATOM 0 HB3 ASN A 32 7.282 1.245 10.145 1.00 64.54 H new ATOM 0 HD21 ASN A 32 8.574 4.449 9.336 1.00 64.52 H new ATOM 0 HD22 ASN A 32 7.809 2.976 8.730 1.00 64.52 H new ATOM 471 N ASP A 33 5.009 4.510 10.556 1.00 42.23 N ATOM 472 CA ASP A 33 4.651 5.856 10.989 1.00 1.34 C ATOM 473 C ASP A 33 3.818 6.565 9.925 1.00 14.13 C ATOM 474 O ASP A 33 2.917 7.341 10.242 1.00 44.04 O ATOM 475 CB ASP A 33 5.910 6.669 11.295 1.00 23.45 C ATOM 476 CG ASP A 33 5.676 7.718 12.363 1.00 52.41 C ATOM 477 OD1 ASP A 33 4.712 7.568 13.142 1.00 72.41 O ATOM 478 OD2 ASP A 33 6.458 8.692 12.421 1.00 24.43 O ATOM 0 H ASP A 33 5.209 4.426 9.559 1.00 42.23 H new ATOM 0 HA ASP A 33 4.053 5.772 11.897 1.00 1.34 H new ATOM 0 HB2 ASP A 33 6.704 5.996 11.619 1.00 23.45 H new ATOM 0 HB3 ASP A 33 6.256 7.155 10.383 1.00 23.45 H new ATOM 482 N ARG A 34 4.129 6.294 8.661 1.00 3.51 N ATOM 483 CA ARG A 34 3.411 6.909 7.550 1.00 33.33 C ATOM 484 C ARG A 34 2.366 5.952 6.983 1.00 13.03 C ATOM 485 O ARG A 34 2.159 4.860 7.511 1.00 51.11 O ATOM 486 CB ARG A 34 4.390 7.323 6.449 1.00 63.34 C ATOM 487 CG ARG A 34 5.639 8.011 6.973 1.00 53.03 C ATOM 488 CD ARG A 34 6.856 7.679 6.123 1.00 63.34 C ATOM 489 NE ARG A 34 8.089 7.680 6.907 1.00 63.03 N ATOM 490 CZ ARG A 34 8.615 8.773 7.448 1.00 11.14 C ATOM 491 NH1 ARG A 34 8.019 9.947 7.291 1.00 20.22 N ATOM 492 NH2 ARG A 34 9.739 8.694 8.147 1.00 60.42 N ATOM 0 H ARG A 34 4.872 5.654 8.381 1.00 3.51 H new ATOM 0 HA ARG A 34 2.901 7.796 7.926 1.00 33.33 H new ATOM 0 HB2 ARG A 34 4.683 6.438 5.883 1.00 63.34 H new ATOM 0 HB3 ARG A 34 3.881 7.992 5.755 1.00 63.34 H new ATOM 0 HG2 ARG A 34 5.484 9.090 6.983 1.00 53.03 H new ATOM 0 HG3 ARG A 34 5.819 7.705 8.004 1.00 53.03 H new ATOM 0 HD2 ARG A 34 6.720 6.700 5.662 1.00 63.34 H new ATOM 0 HD3 ARG A 34 6.941 8.404 5.313 1.00 63.34 H new ATOM 0 HE ARG A 34 8.572 6.793 7.046 1.00 63.03 H new ATOM 0 HH11 ARG A 34 7.154 10.012 6.754 1.00 20.22 H new ATOM 0 HH12 ARG A 34 8.425 10.785 7.708 1.00 20.22 H new ATOM 0 HH21 ARG A 34 10.201 7.793 8.270 1.00 60.42 H new ATOM 0 HH22 ARG A 34 10.142 9.534 8.562 1.00 60.42 H new ATOM 503 N GLN A 35 1.712 6.371 5.904 1.00 32.33 N ATOM 504 CA GLN A 35 0.688 5.551 5.266 1.00 62.23 C ATOM 505 C GLN A 35 -0.022 6.328 4.163 1.00 12.32 C ATOM 506 O GLN A 35 0.297 7.487 3.902 1.00 2.32 O ATOM 507 CB GLN A 35 -0.329 5.070 6.303 1.00 63.22 C ATOM 508 CG GLN A 35 -0.390 5.943 7.546 1.00 10.34 C ATOM 509 CD GLN A 35 -1.801 6.111 8.072 1.00 42.31 C ATOM 510 OE1 GLN A 35 -2.702 6.529 7.345 1.00 21.30 O ATOM 511 NE2 GLN A 35 -2.002 5.785 9.344 1.00 15.40 N ATOM 0 H GLN A 35 1.873 7.272 5.454 1.00 32.33 H new ATOM 0 HA GLN A 35 1.177 4.686 4.819 1.00 62.23 H new ATOM 0 HB2 GLN A 35 -1.317 5.038 5.843 1.00 63.22 H new ATOM 0 HB3 GLN A 35 -0.081 4.050 6.597 1.00 63.22 H new ATOM 0 HG2 GLN A 35 0.234 5.504 8.325 1.00 10.34 H new ATOM 0 HG3 GLN A 35 0.028 6.924 7.318 1.00 10.34 H new ATOM 0 HE21 GLN A 35 -1.227 5.442 9.911 1.00 15.40 H new ATOM 0 HE22 GLN A 35 -2.932 5.877 9.753 1.00 15.40 H new ATOM 518 N GLY A 36 -0.986 5.680 3.515 1.00 41.34 N ATOM 519 CA GLY A 36 -1.725 6.326 2.447 1.00 24.32 C ATOM 520 C GLY A 36 -2.401 5.330 1.526 1.00 31.51 C ATOM 521 O GLY A 36 -2.497 4.145 1.844 1.00 35.43 O ATOM 0 H GLY A 36 -1.268 4.719 3.711 1.00 41.34 H new ATOM 0 HA2 GLY A 36 -2.477 6.987 2.878 1.00 24.32 H new ATOM 0 HA3 GLY A 36 -1.047 6.951 1.866 1.00 24.32 H new ATOM 525 N PHE A 37 -2.873 5.811 0.381 1.00 22.03 N ATOM 526 CA PHE A 37 -3.547 4.955 -0.589 1.00 13.53 C ATOM 527 C PHE A 37 -2.577 4.496 -1.674 1.00 2.12 C ATOM 528 O PHE A 37 -1.942 5.312 -2.341 1.00 34.14 O ATOM 529 CB PHE A 37 -4.725 5.696 -1.224 1.00 24.41 C ATOM 530 CG PHE A 37 -5.885 5.891 -0.288 1.00 35.23 C ATOM 531 CD1 PHE A 37 -6.695 4.823 0.063 1.00 33.22 C ATOM 532 CD2 PHE A 37 -6.164 7.141 0.240 1.00 53.43 C ATOM 533 CE1 PHE A 37 -7.762 5.000 0.923 1.00 30.34 C ATOM 534 CE2 PHE A 37 -7.230 7.324 1.101 1.00 34.42 C ATOM 535 CZ PHE A 37 -8.029 6.251 1.443 1.00 4.11 C ATOM 0 H PHE A 37 -2.801 6.789 0.102 1.00 22.03 H new ATOM 0 HA PHE A 37 -3.921 4.076 -0.063 1.00 13.53 H new ATOM 0 HB2 PHE A 37 -4.384 6.670 -1.576 1.00 24.41 H new ATOM 0 HB3 PHE A 37 -5.064 5.142 -2.099 1.00 24.41 H new ATOM 0 HD1 PHE A 37 -6.490 3.842 -0.340 1.00 33.22 H new ATOM 0 HD2 PHE A 37 -5.541 7.983 -0.024 1.00 53.43 H new ATOM 0 HE1 PHE A 37 -8.387 4.160 1.188 1.00 30.34 H new ATOM 0 HE2 PHE A 37 -7.437 8.304 1.505 1.00 34.42 H new ATOM 0 HZ PHE A 37 -8.862 6.390 2.116 1.00 4.11 H new ATOM 544 N VAL A 38 -2.469 3.182 -1.844 1.00 32.34 N ATOM 545 CA VAL A 38 -1.578 2.612 -2.848 1.00 15.10 C ATOM 546 C VAL A 38 -2.327 1.655 -3.769 1.00 3.25 C ATOM 547 O VAL A 38 -3.380 1.119 -3.424 1.00 52.12 O ATOM 548 CB VAL A 38 -0.402 1.862 -2.194 1.00 51.12 C ATOM 549 CG1 VAL A 38 0.702 2.833 -1.806 1.00 41.31 C ATOM 550 CG2 VAL A 38 -0.881 1.074 -0.983 1.00 24.02 C ATOM 0 H VAL A 38 -2.987 2.492 -1.300 1.00 32.34 H new ATOM 0 HA VAL A 38 -1.188 3.445 -3.434 1.00 15.10 H new ATOM 0 HB VAL A 38 0.006 1.158 -2.919 1.00 51.12 H new ATOM 0 HG11 VAL A 38 1.524 2.284 -1.346 1.00 41.31 H new ATOM 0 HG12 VAL A 38 1.063 3.348 -2.696 1.00 41.31 H new ATOM 0 HG13 VAL A 38 0.312 3.564 -1.098 1.00 41.31 H new ATOM 0 HG21 VAL A 38 -0.038 0.550 -0.533 1.00 24.02 H new ATOM 0 HG22 VAL A 38 -1.315 1.757 -0.253 1.00 24.02 H new ATOM 0 HG23 VAL A 38 -1.634 0.350 -1.295 1.00 24.02 H new ATOM 560 N PRO A 39 -1.774 1.436 -4.971 1.00 31.04 N ATOM 561 CA PRO A 39 -2.372 0.543 -5.967 1.00 65.43 C ATOM 562 C PRO A 39 -2.293 -0.923 -5.553 1.00 1.03 C ATOM 563 O PRO A 39 -1.206 -1.486 -5.435 1.00 13.15 O ATOM 564 CB PRO A 39 -1.529 0.792 -7.220 1.00 44.14 C ATOM 565 CG PRO A 39 -0.216 1.270 -6.704 1.00 51.24 C ATOM 566 CD PRO A 39 -0.521 2.043 -5.450 1.00 12.02 C ATOM 0 HA PRO A 39 -3.435 0.742 -6.106 1.00 65.43 H new ATOM 0 HB2 PRO A 39 -1.415 -0.119 -7.808 1.00 44.14 H new ATOM 0 HB3 PRO A 39 -1.994 1.535 -7.869 1.00 44.14 H new ATOM 0 HG2 PRO A 39 0.449 0.432 -6.494 1.00 51.24 H new ATOM 0 HG3 PRO A 39 0.286 1.900 -7.438 1.00 51.24 H new ATOM 0 HD2 PRO A 39 0.278 1.948 -4.715 1.00 12.02 H new ATOM 0 HD3 PRO A 39 -0.642 3.107 -5.653 1.00 12.02 H new ATOM 571 N ALA A 40 -3.453 -1.535 -5.336 1.00 40.53 N ATOM 572 CA ALA A 40 -3.513 -2.936 -4.938 1.00 12.21 C ATOM 573 C ALA A 40 -2.714 -3.814 -5.895 1.00 51.11 C ATOM 574 O ALA A 40 -2.369 -4.949 -5.570 1.00 70.14 O ATOM 575 CB ALA A 40 -4.959 -3.404 -4.874 1.00 44.44 C ATOM 0 H ALA A 40 -4.363 -1.083 -5.429 1.00 40.53 H new ATOM 0 HA ALA A 40 -3.068 -3.026 -3.947 1.00 12.21 H new ATOM 0 HB1 ALA A 40 -4.989 -4.452 -4.576 1.00 44.44 H new ATOM 0 HB2 ALA A 40 -5.504 -2.803 -4.146 1.00 44.44 H new ATOM 0 HB3 ALA A 40 -5.421 -3.292 -5.855 1.00 44.44 H new ATOM 581 N ALA A 41 -2.422 -3.280 -7.077 1.00 44.42 N ATOM 582 CA ALA A 41 -1.661 -4.014 -8.080 1.00 45.13 C ATOM 583 C ALA A 41 -0.218 -4.220 -7.633 1.00 21.03 C ATOM 584 O ALA A 41 0.433 -5.186 -8.029 1.00 34.54 O ATOM 585 CB ALA A 41 -1.705 -3.283 -9.414 1.00 63.34 C ATOM 0 H ALA A 41 -2.701 -2.342 -7.363 1.00 44.42 H new ATOM 0 HA ALA A 41 -2.118 -4.996 -8.201 1.00 45.13 H new ATOM 0 HB1 ALA A 41 -1.133 -3.842 -10.154 1.00 63.34 H new ATOM 0 HB2 ALA A 41 -2.739 -3.194 -9.746 1.00 63.34 H new ATOM 0 HB3 ALA A 41 -1.275 -2.288 -9.298 1.00 63.34 H new ATOM 591 N TYR A 42 0.276 -3.304 -6.807 1.00 33.04 N ATOM 592 CA TYR A 42 1.644 -3.383 -6.310 1.00 75.35 C ATOM 593 C TYR A 42 1.707 -4.185 -5.013 1.00 72.12 C ATOM 594 O TYR A 42 2.787 -4.521 -4.528 1.00 15.50 O ATOM 595 CB TYR A 42 2.209 -1.980 -6.082 1.00 13.25 C ATOM 596 CG TYR A 42 2.502 -1.231 -7.363 1.00 61.32 C ATOM 597 CD1 TYR A 42 1.543 -1.123 -8.363 1.00 72.34 C ATOM 598 CD2 TYR A 42 3.737 -0.629 -7.572 1.00 33.13 C ATOM 599 CE1 TYR A 42 1.807 -0.440 -9.535 1.00 61.51 C ATOM 600 CE2 TYR A 42 4.009 0.056 -8.740 1.00 4.22 C ATOM 601 CZ TYR A 42 3.041 0.149 -9.719 1.00 62.55 C ATOM 602 OH TYR A 42 3.307 0.831 -10.883 1.00 70.20 O ATOM 0 H TYR A 42 -0.250 -2.499 -6.468 1.00 33.04 H new ATOM 0 HA TYR A 42 2.247 -3.892 -7.062 1.00 75.35 H new ATOM 0 HB2 TYR A 42 1.500 -1.404 -5.488 1.00 13.25 H new ATOM 0 HB3 TYR A 42 3.126 -2.057 -5.498 1.00 13.25 H new ATOM 0 HD1 TYR A 42 0.575 -1.581 -8.222 1.00 72.34 H new ATOM 0 HD2 TYR A 42 4.497 -0.698 -6.808 1.00 33.13 H new ATOM 0 HE1 TYR A 42 1.051 -0.368 -10.303 1.00 61.51 H new ATOM 0 HE2 TYR A 42 4.975 0.517 -8.886 1.00 4.22 H new ATOM 0 HH TYR A 42 3.619 0.202 -11.567 1.00 70.20 H new ATOM 611 N VAL A 43 0.538 -4.489 -4.457 1.00 54.31 N ATOM 612 CA VAL A 43 0.458 -5.253 -3.217 1.00 11.34 C ATOM 613 C VAL A 43 -0.481 -6.445 -3.366 1.00 52.43 C ATOM 614 O VAL A 43 -1.108 -6.629 -4.410 1.00 55.24 O ATOM 615 CB VAL A 43 -0.025 -4.375 -2.047 1.00 72.30 C ATOM 616 CG1 VAL A 43 1.105 -3.492 -1.541 1.00 43.15 C ATOM 617 CG2 VAL A 43 -1.220 -3.535 -2.470 1.00 31.34 C ATOM 0 H VAL A 43 -0.366 -4.218 -4.845 1.00 54.31 H new ATOM 0 HA VAL A 43 1.464 -5.612 -3.000 1.00 11.34 H new ATOM 0 HB VAL A 43 -0.338 -5.027 -1.231 1.00 72.30 H new ATOM 0 HG11 VAL A 43 0.745 -2.879 -0.715 1.00 43.15 H new ATOM 0 HG12 VAL A 43 1.929 -4.117 -1.197 1.00 43.15 H new ATOM 0 HG13 VAL A 43 1.451 -2.846 -2.348 1.00 43.15 H new ATOM 0 HG21 VAL A 43 -1.548 -2.921 -1.631 1.00 31.34 H new ATOM 0 HG22 VAL A 43 -0.936 -2.891 -3.302 1.00 31.34 H new ATOM 0 HG23 VAL A 43 -2.034 -4.190 -2.780 1.00 31.34 H new ATOM 627 N LYS A 44 -0.576 -7.251 -2.314 1.00 53.03 N ATOM 628 CA LYS A 44 -1.440 -8.425 -2.325 1.00 35.21 C ATOM 629 C LYS A 44 -1.504 -9.067 -0.942 1.00 2.33 C ATOM 630 O LYS A 44 -0.488 -9.201 -0.261 1.00 50.14 O ATOM 631 CB LYS A 44 -0.936 -9.445 -3.349 1.00 51.34 C ATOM 632 CG LYS A 44 -1.626 -10.795 -3.252 1.00 13.31 C ATOM 633 CD LYS A 44 -0.769 -11.903 -3.841 1.00 52.34 C ATOM 634 CE LYS A 44 0.609 -11.944 -3.197 1.00 4.22 C ATOM 635 NZ LYS A 44 1.000 -13.329 -2.811 1.00 24.24 N ATOM 0 H LYS A 44 -0.065 -7.112 -1.442 1.00 53.03 H new ATOM 0 HA LYS A 44 -2.444 -8.104 -2.604 1.00 35.21 H new ATOM 0 HB2 LYS A 44 -1.081 -9.043 -4.352 1.00 51.34 H new ATOM 0 HB3 LYS A 44 0.137 -9.584 -3.214 1.00 51.34 H new ATOM 0 HG2 LYS A 44 -1.844 -11.019 -2.208 1.00 13.31 H new ATOM 0 HG3 LYS A 44 -2.581 -10.755 -3.776 1.00 13.31 H new ATOM 0 HD2 LYS A 44 -1.266 -12.863 -3.700 1.00 52.34 H new ATOM 0 HD3 LYS A 44 -0.665 -11.752 -4.916 1.00 52.34 H new ATOM 0 HE2 LYS A 44 1.346 -11.538 -3.890 1.00 4.22 H new ATOM 0 HE3 LYS A 44 0.616 -11.305 -2.314 1.00 4.22 H new ATOM 0 HZ1 LYS A 44 1.944 -13.315 -2.376 1.00 24.24 H new ATOM 0 HZ2 LYS A 44 0.311 -13.707 -2.130 1.00 24.24 H new ATOM 0 HZ3 LYS A 44 1.018 -13.933 -3.657 1.00 24.24 H new ATOM 645 N LYS A 45 -2.704 -9.462 -0.534 1.00 23.25 N ATOM 646 CA LYS A 45 -2.903 -10.092 0.766 1.00 13.44 C ATOM 647 C LYS A 45 -2.001 -11.312 0.921 1.00 41.14 C ATOM 648 O LYS A 45 -1.644 -11.964 -0.062 1.00 45.22 O ATOM 649 CB LYS A 45 -4.367 -10.501 0.941 1.00 12.11 C ATOM 650 CG LYS A 45 -5.073 -9.767 2.066 1.00 3.50 C ATOM 651 CD LYS A 45 -6.237 -10.574 2.616 1.00 72.13 C ATOM 652 CE LYS A 45 -7.542 -10.213 1.924 1.00 71.34 C ATOM 653 NZ LYS A 45 -7.951 -11.250 0.935 1.00 43.14 N ATOM 0 H LYS A 45 -3.556 -9.357 -1.086 1.00 23.25 H new ATOM 0 HA LYS A 45 -2.642 -9.367 1.537 1.00 13.44 H new ATOM 0 HB2 LYS A 45 -4.900 -10.318 0.008 1.00 12.11 H new ATOM 0 HB3 LYS A 45 -4.416 -11.573 1.131 1.00 12.11 H new ATOM 0 HG2 LYS A 45 -4.364 -9.558 2.867 1.00 3.50 H new ATOM 0 HG3 LYS A 45 -5.436 -8.805 1.703 1.00 3.50 H new ATOM 0 HD2 LYS A 45 -6.037 -11.638 2.486 1.00 72.13 H new ATOM 0 HD3 LYS A 45 -6.331 -10.396 3.687 1.00 72.13 H new ATOM 0 HE2 LYS A 45 -8.328 -10.093 2.670 1.00 71.34 H new ATOM 0 HE3 LYS A 45 -7.432 -9.253 1.419 1.00 71.34 H new ATOM 0 HZ1 LYS A 45 -8.845 -10.967 0.485 1.00 43.14 H new ATOM 0 HZ2 LYS A 45 -7.213 -11.347 0.209 1.00 43.14 H new ATOM 0 HZ3 LYS A 45 -8.081 -12.161 1.420 1.00 43.14 H new ATOM 663 N LEU A 46 -1.636 -11.618 2.162 1.00 12.12 N ATOM 664 CA LEU A 46 -0.777 -12.763 2.446 1.00 44.34 C ATOM 665 C LEU A 46 -1.535 -13.832 3.227 1.00 51.42 C ATOM 666 O LEU A 46 -2.595 -13.566 3.795 1.00 51.13 O ATOM 667 CB LEU A 46 0.455 -12.316 3.236 1.00 75.45 C ATOM 668 CG LEU A 46 1.444 -11.422 2.487 1.00 71.13 C ATOM 669 CD1 LEU A 46 2.378 -10.724 3.465 1.00 0.03 C ATOM 670 CD2 LEU A 46 2.238 -12.235 1.476 1.00 20.30 C ATOM 0 H LEU A 46 -1.921 -11.090 2.987 1.00 12.12 H new ATOM 0 HA LEU A 46 -0.457 -13.191 1.496 1.00 44.34 H new ATOM 0 HB2 LEU A 46 0.118 -11.785 4.126 1.00 75.45 H new ATOM 0 HB3 LEU A 46 0.986 -13.205 3.577 1.00 75.45 H new ATOM 0 HG LEU A 46 0.880 -10.661 1.948 1.00 71.13 H new ATOM 0 HD11 LEU A 46 3.075 -10.092 2.915 1.00 0.03 H new ATOM 0 HD12 LEU A 46 1.794 -10.109 4.150 1.00 0.03 H new ATOM 0 HD13 LEU A 46 2.935 -11.470 4.032 1.00 0.03 H new ATOM 0 HD21 LEU A 46 2.937 -11.582 0.952 1.00 20.30 H new ATOM 0 HD22 LEU A 46 2.792 -13.019 1.993 1.00 20.30 H new ATOM 0 HD23 LEU A 46 1.556 -12.687 0.757 1.00 20.30 H new ATOM 681 N ASP A 47 -0.984 -15.040 3.252 1.00 51.12 N ATOM 682 CA ASP A 47 -1.606 -16.149 3.966 1.00 20.20 C ATOM 683 C ASP A 47 -0.828 -16.485 5.234 1.00 75.15 C ATOM 684 O ASP A 47 0.239 -17.095 5.176 1.00 70.13 O ATOM 685 CB ASP A 47 -1.690 -17.382 3.064 1.00 3.32 C ATOM 686 CG ASP A 47 -3.120 -17.745 2.711 1.00 41.41 C ATOM 687 OD1 ASP A 47 -3.640 -17.202 1.715 1.00 4.53 O ATOM 688 OD2 ASP A 47 -3.717 -18.571 3.433 1.00 2.13 O ATOM 0 H ASP A 47 -0.108 -15.277 2.786 1.00 51.12 H new ATOM 0 HA ASP A 47 -2.614 -15.845 4.249 1.00 20.20 H new ATOM 0 HB2 ASP A 47 -1.128 -17.198 2.148 1.00 3.32 H new ATOM 0 HB3 ASP A 47 -1.216 -18.227 3.564 1.00 3.32 H new ATOM 692 N SER A 48 -1.368 -16.080 6.379 1.00 61.31 N ATOM 693 CA SER A 48 -0.722 -16.334 7.661 1.00 44.05 C ATOM 694 C SER A 48 -1.503 -17.366 8.469 1.00 51.15 C ATOM 695 O SER A 48 -0.924 -18.281 9.053 1.00 23.24 O ATOM 696 CB SER A 48 -0.597 -15.034 8.459 1.00 73.13 C ATOM 697 OG SER A 48 0.342 -15.170 9.512 1.00 34.41 O ATOM 0 H SER A 48 -2.251 -15.575 6.445 1.00 61.31 H new ATOM 0 HA SER A 48 0.274 -16.730 7.465 1.00 44.05 H new ATOM 0 HB2 SER A 48 -0.290 -14.225 7.796 1.00 73.13 H new ATOM 0 HB3 SER A 48 -1.569 -14.760 8.868 1.00 73.13 H new ATOM 0 HG SER A 48 0.405 -14.326 10.006 1.00 34.41 H new ATOM 702 N GLY A 49 -2.823 -17.211 8.496 1.00 43.23 N ATOM 703 CA GLY A 49 -3.664 -18.136 9.235 1.00 74.14 C ATOM 704 C GLY A 49 -3.812 -17.747 10.693 1.00 20.23 C ATOM 705 O GLY A 49 -3.871 -18.608 11.570 1.00 45.21 O ATOM 0 H GLY A 49 -3.325 -16.462 8.020 1.00 43.23 H new ATOM 0 HA2 GLY A 49 -4.650 -18.176 8.771 1.00 74.14 H new ATOM 0 HA3 GLY A 49 -3.240 -19.138 9.171 1.00 74.14 H new ATOM 709 N THR A 50 -3.872 -16.444 10.953 1.00 61.42 N ATOM 710 CA THR A 50 -4.012 -15.943 12.314 1.00 14.41 C ATOM 711 C THR A 50 -5.221 -15.023 12.439 1.00 60.23 C ATOM 712 O THR A 50 -5.719 -14.782 13.538 1.00 72.12 O ATOM 713 CB THR A 50 -2.752 -15.179 12.763 1.00 11.32 C ATOM 714 OG1 THR A 50 -2.607 -13.979 11.995 1.00 34.11 O ATOM 715 CG2 THR A 50 -1.510 -16.042 12.604 1.00 31.13 C ATOM 0 H THR A 50 -3.826 -15.717 10.239 1.00 61.42 H new ATOM 0 HA THR A 50 -4.151 -16.811 12.958 1.00 14.41 H new ATOM 0 HB THR A 50 -2.865 -14.924 13.817 1.00 11.32 H new ATOM 0 HG1 THR A 50 -1.729 -13.581 12.172 1.00 34.11 H new ATOM 0 HG21 THR A 50 -0.633 -15.481 12.927 1.00 31.13 H new ATOM 0 HG22 THR A 50 -1.611 -16.940 13.213 1.00 31.13 H new ATOM 0 HG23 THR A 50 -1.395 -16.324 11.557 1.00 31.13 H new ATOM 723 N GLY A 51 -5.691 -14.513 11.305 1.00 24.13 N ATOM 724 CA GLY A 51 -6.840 -13.626 11.311 1.00 13.20 C ATOM 725 C GLY A 51 -6.444 -12.164 11.252 1.00 35.11 C ATOM 726 O GLY A 51 -7.202 -11.290 11.673 1.00 54.54 O ATOM 0 H GLY A 51 -5.297 -14.698 10.383 1.00 24.13 H new ATOM 0 HA2 GLY A 51 -7.480 -13.860 10.461 1.00 13.20 H new ATOM 0 HA3 GLY A 51 -7.428 -13.804 12.211 1.00 13.20 H new ATOM 730 N LYS A 52 -5.252 -11.896 10.728 1.00 60.15 N ATOM 731 CA LYS A 52 -4.755 -10.530 10.616 1.00 21.23 C ATOM 732 C LYS A 52 -4.910 -10.010 9.191 1.00 3.14 C ATOM 733 O LYS A 52 -5.064 -10.788 8.250 1.00 60.14 O ATOM 734 CB LYS A 52 -3.285 -10.464 11.036 1.00 63.14 C ATOM 735 CG LYS A 52 -3.065 -10.703 12.521 1.00 4.31 C ATOM 736 CD LYS A 52 -2.072 -9.711 13.104 1.00 25.51 C ATOM 737 CE LYS A 52 -2.779 -8.570 13.819 1.00 65.22 C ATOM 738 NZ LYS A 52 -1.869 -7.851 14.752 1.00 3.32 N ATOM 0 H LYS A 52 -4.612 -12.607 10.374 1.00 60.15 H new ATOM 0 HA LYS A 52 -5.346 -9.900 11.281 1.00 21.23 H new ATOM 0 HB2 LYS A 52 -2.720 -11.205 10.470 1.00 63.14 H new ATOM 0 HB3 LYS A 52 -2.884 -9.486 10.771 1.00 63.14 H new ATOM 0 HG2 LYS A 52 -4.015 -10.621 13.048 1.00 4.31 H new ATOM 0 HG3 LYS A 52 -2.701 -11.718 12.677 1.00 4.31 H new ATOM 0 HD2 LYS A 52 -1.410 -10.224 13.801 1.00 25.51 H new ATOM 0 HD3 LYS A 52 -1.446 -9.310 12.307 1.00 25.51 H new ATOM 0 HE2 LYS A 52 -3.172 -7.869 13.083 1.00 65.22 H new ATOM 0 HE3 LYS A 52 -3.632 -8.962 14.373 1.00 65.22 H new ATOM 0 HZ1 LYS A 52 -2.389 -7.081 15.219 1.00 3.32 H new ATOM 0 HZ2 LYS A 52 -1.513 -8.514 15.470 1.00 3.32 H new ATOM 0 HZ3 LYS A 52 -1.068 -7.455 14.220 1.00 3.32 H new ATOM 748 N GLU A 53 -4.869 -8.690 9.039 1.00 1.02 N ATOM 749 CA GLU A 53 -5.006 -8.068 7.728 1.00 13.52 C ATOM 750 C GLU A 53 -3.671 -7.495 7.256 1.00 21.31 C ATOM 751 O GLU A 53 -3.322 -6.359 7.576 1.00 3.04 O ATOM 752 CB GLU A 53 -6.061 -6.961 7.770 1.00 3.32 C ATOM 753 CG GLU A 53 -7.238 -7.277 8.678 1.00 24.11 C ATOM 754 CD GLU A 53 -8.412 -6.343 8.458 1.00 42.50 C ATOM 755 OE1 GLU A 53 -8.207 -5.112 8.500 1.00 51.32 O ATOM 756 OE2 GLU A 53 -9.535 -6.843 8.243 1.00 4.04 O ATOM 0 H GLU A 53 -4.742 -8.031 9.807 1.00 1.02 H new ATOM 0 HA GLU A 53 -5.324 -8.835 7.022 1.00 13.52 H new ATOM 0 HB2 GLU A 53 -5.592 -6.036 8.106 1.00 3.32 H new ATOM 0 HB3 GLU A 53 -6.430 -6.783 6.760 1.00 3.32 H new ATOM 0 HG2 GLU A 53 -7.559 -8.304 8.506 1.00 24.11 H new ATOM 0 HG3 GLU A 53 -6.917 -7.213 9.718 1.00 24.11 H new ATOM 761 N LEU A 54 -2.930 -8.291 6.494 1.00 22.42 N ATOM 762 CA LEU A 54 -1.634 -7.866 5.977 1.00 41.02 C ATOM 763 C LEU A 54 -1.597 -7.957 4.455 1.00 33.50 C ATOM 764 O LEU A 54 -2.430 -8.627 3.842 1.00 54.22 O ATOM 765 CB LEU A 54 -0.517 -8.722 6.578 1.00 61.31 C ATOM 766 CG LEU A 54 -0.928 -10.109 7.074 1.00 2.35 C ATOM 767 CD1 LEU A 54 -1.352 -10.989 5.908 1.00 4.21 C ATOM 768 CD2 LEU A 54 0.211 -10.757 7.847 1.00 51.24 C ATOM 0 H LEU A 54 -3.204 -9.235 6.220 1.00 22.42 H new ATOM 0 HA LEU A 54 -1.481 -6.826 6.264 1.00 41.02 H new ATOM 0 HB2 LEU A 54 0.264 -8.843 5.828 1.00 61.31 H new ATOM 0 HB3 LEU A 54 -0.076 -8.176 7.412 1.00 61.31 H new ATOM 0 HG LEU A 54 -1.779 -9.997 7.746 1.00 2.35 H new ATOM 0 HD11 LEU A 54 -1.641 -11.972 6.280 1.00 4.21 H new ATOM 0 HD12 LEU A 54 -2.199 -10.532 5.396 1.00 4.21 H new ATOM 0 HD13 LEU A 54 -0.521 -11.095 5.211 1.00 4.21 H new ATOM 0 HD21 LEU A 54 -0.099 -11.743 8.193 1.00 51.24 H new ATOM 0 HD22 LEU A 54 1.081 -10.857 7.198 1.00 51.24 H new ATOM 0 HD23 LEU A 54 0.468 -10.136 8.705 1.00 51.24 H new ATOM 779 N VAL A 55 -0.625 -7.282 3.850 1.00 23.43 N ATOM 780 CA VAL A 55 -0.478 -7.290 2.399 1.00 64.02 C ATOM 781 C VAL A 55 0.982 -7.123 1.994 1.00 43.33 C ATOM 782 O VAL A 55 1.618 -6.120 2.323 1.00 41.33 O ATOM 783 CB VAL A 55 -1.312 -6.174 1.744 1.00 4.24 C ATOM 784 CG1 VAL A 55 -2.733 -6.651 1.483 1.00 72.13 C ATOM 785 CG2 VAL A 55 -1.312 -4.927 2.616 1.00 54.01 C ATOM 0 H VAL A 55 0.072 -6.723 4.342 1.00 23.43 H new ATOM 0 HA VAL A 55 -0.841 -8.257 2.049 1.00 64.02 H new ATOM 0 HB VAL A 55 -0.858 -5.920 0.786 1.00 4.24 H new ATOM 0 HG11 VAL A 55 -3.307 -5.848 1.020 1.00 72.13 H new ATOM 0 HG12 VAL A 55 -2.711 -7.513 0.816 1.00 72.13 H new ATOM 0 HG13 VAL A 55 -3.201 -6.934 2.426 1.00 72.13 H new ATOM 0 HG21 VAL A 55 -1.906 -4.148 2.138 1.00 54.01 H new ATOM 0 HG22 VAL A 55 -1.741 -5.164 3.590 1.00 54.01 H new ATOM 0 HG23 VAL A 55 -0.289 -4.574 2.746 1.00 54.01 H new ATOM 795 N LEU A 56 1.509 -8.110 1.278 1.00 4.32 N ATOM 796 CA LEU A 56 2.896 -8.072 0.826 1.00 21.22 C ATOM 797 C LEU A 56 3.053 -7.140 -0.371 1.00 30.33 C ATOM 798 O LEU A 56 2.103 -6.902 -1.115 1.00 24.53 O ATOM 799 CB LEU A 56 3.371 -9.479 0.459 1.00 11.33 C ATOM 800 CG LEU A 56 4.797 -9.584 -0.083 1.00 31.32 C ATOM 801 CD1 LEU A 56 5.503 -10.797 0.504 1.00 44.20 C ATOM 802 CD2 LEU A 56 4.786 -9.658 -1.604 1.00 4.51 C ATOM 0 H LEU A 56 0.997 -8.947 0.998 1.00 4.32 H new ATOM 0 HA LEU A 56 3.509 -7.690 1.642 1.00 21.22 H new ATOM 0 HB2 LEU A 56 3.292 -10.110 1.344 1.00 11.33 H new ATOM 0 HB3 LEU A 56 2.689 -9.889 -0.286 1.00 11.33 H new ATOM 0 HG LEU A 56 5.344 -8.690 0.214 1.00 31.32 H new ATOM 0 HD11 LEU A 56 6.516 -10.856 0.107 1.00 44.20 H new ATOM 0 HD12 LEU A 56 5.543 -10.705 1.589 1.00 44.20 H new ATOM 0 HD13 LEU A 56 4.956 -11.701 0.237 1.00 44.20 H new ATOM 0 HD21 LEU A 56 5.809 -9.732 -1.972 1.00 4.51 H new ATOM 0 HD22 LEU A 56 4.222 -10.535 -1.922 1.00 4.51 H new ATOM 0 HD23 LEU A 56 4.319 -8.760 -2.009 1.00 4.51 H new ATOM 813 N ALA A 57 4.261 -6.617 -0.552 1.00 72.01 N ATOM 814 CA ALA A 57 4.545 -5.715 -1.661 1.00 30.11 C ATOM 815 C ALA A 57 5.117 -6.474 -2.853 1.00 22.35 C ATOM 816 O ALA A 57 6.224 -7.012 -2.788 1.00 44.21 O ATOM 817 CB ALA A 57 5.506 -4.621 -1.220 1.00 43.31 C ATOM 0 H ALA A 57 5.059 -6.803 0.056 1.00 72.01 H new ATOM 0 HA ALA A 57 3.607 -5.255 -1.972 1.00 30.11 H new ATOM 0 HB1 ALA A 57 5.709 -3.955 -2.059 1.00 43.31 H new ATOM 0 HB2 ALA A 57 5.060 -4.052 -0.404 1.00 43.31 H new ATOM 0 HB3 ALA A 57 6.439 -5.071 -0.880 1.00 43.31 H new ATOM 823 N LEU A 58 4.357 -6.516 -3.943 1.00 42.34 N ATOM 824 CA LEU A 58 4.787 -7.210 -5.150 1.00 54.30 C ATOM 825 C LEU A 58 5.708 -6.327 -5.988 1.00 70.43 C ATOM 826 O LEU A 58 6.713 -6.793 -6.524 1.00 55.00 O ATOM 827 CB LEU A 58 3.574 -7.633 -5.980 1.00 23.52 C ATOM 828 CG LEU A 58 2.337 -8.061 -5.190 1.00 23.00 C ATOM 829 CD1 LEU A 58 1.197 -8.414 -6.132 1.00 73.22 C ATOM 830 CD2 LEU A 58 2.665 -9.237 -4.282 1.00 73.35 C ATOM 0 H LEU A 58 3.439 -6.077 -4.014 1.00 42.34 H new ATOM 0 HA LEU A 58 5.341 -8.099 -4.849 1.00 54.30 H new ATOM 0 HB2 LEU A 58 3.296 -6.803 -6.630 1.00 23.52 H new ATOM 0 HB3 LEU A 58 3.871 -8.459 -6.627 1.00 23.52 H new ATOM 0 HG LEU A 58 2.020 -7.224 -4.567 1.00 23.00 H new ATOM 0 HD11 LEU A 58 0.325 -8.716 -5.551 1.00 73.22 H new ATOM 0 HD12 LEU A 58 0.945 -7.545 -6.740 1.00 73.22 H new ATOM 0 HD13 LEU A 58 1.502 -9.234 -6.781 1.00 73.22 H new ATOM 0 HD21 LEU A 58 1.773 -9.528 -3.727 1.00 73.35 H new ATOM 0 HD22 LEU A 58 3.008 -10.078 -4.885 1.00 73.35 H new ATOM 0 HD23 LEU A 58 3.449 -8.949 -3.582 1.00 73.35 H new ATOM 841 N TYR A 59 5.358 -5.050 -6.093 1.00 32.33 N ATOM 842 CA TYR A 59 6.152 -4.102 -6.865 1.00 4.44 C ATOM 843 C TYR A 59 6.585 -2.922 -5.999 1.00 61.10 C ATOM 844 O TYR A 59 6.176 -2.803 -4.843 1.00 13.43 O ATOM 845 CB TYR A 59 5.354 -3.598 -8.069 1.00 3.30 C ATOM 846 CG TYR A 59 4.473 -4.654 -8.697 1.00 55.01 C ATOM 847 CD1 TYR A 59 4.917 -5.963 -8.836 1.00 30.54 C ATOM 848 CD2 TYR A 59 3.197 -4.344 -9.150 1.00 53.33 C ATOM 849 CE1 TYR A 59 4.116 -6.932 -9.411 1.00 61.22 C ATOM 850 CE2 TYR A 59 2.388 -5.305 -9.723 1.00 35.40 C ATOM 851 CZ TYR A 59 2.852 -6.598 -9.852 1.00 51.32 C ATOM 852 OH TYR A 59 2.051 -7.560 -10.423 1.00 61.30 O ATOM 0 H TYR A 59 4.530 -4.648 -5.653 1.00 32.33 H new ATOM 0 HA TYR A 59 7.045 -4.618 -7.219 1.00 4.44 H new ATOM 0 HB2 TYR A 59 4.734 -2.758 -7.757 1.00 3.30 H new ATOM 0 HB3 TYR A 59 6.047 -3.221 -8.821 1.00 3.30 H new ATOM 0 HD1 TYR A 59 5.905 -6.228 -8.489 1.00 30.54 H new ATOM 0 HD2 TYR A 59 2.831 -3.333 -9.052 1.00 53.33 H new ATOM 0 HE1 TYR A 59 4.477 -7.944 -9.514 1.00 61.22 H new ATOM 0 HE2 TYR A 59 1.398 -5.046 -10.068 1.00 35.40 H new ATOM 0 HH TYR A 59 1.193 -7.162 -10.678 1.00 61.30 H new ATOM 861 N ASP A 60 7.415 -2.055 -6.566 1.00 13.41 N ATOM 862 CA ASP A 60 7.904 -0.883 -5.848 1.00 53.45 C ATOM 863 C ASP A 60 6.992 0.317 -6.081 1.00 64.44 C ATOM 864 O ASP A 60 6.614 0.612 -7.214 1.00 22.55 O ATOM 865 CB ASP A 60 9.330 -0.548 -6.287 1.00 51.43 C ATOM 866 CG ASP A 60 9.512 -0.647 -7.789 1.00 53.53 C ATOM 867 OD1 ASP A 60 8.541 -0.370 -8.523 1.00 3.53 O ATOM 868 OD2 ASP A 60 10.625 -1.001 -8.230 1.00 31.41 O ATOM 0 H ASP A 60 7.764 -2.141 -7.521 1.00 13.41 H new ATOM 0 HA ASP A 60 7.905 -1.114 -4.783 1.00 53.45 H new ATOM 0 HB2 ASP A 60 9.580 0.461 -5.959 1.00 51.43 H new ATOM 0 HB3 ASP A 60 10.027 -1.225 -5.794 1.00 51.43 H new ATOM 872 N TYR A 61 6.641 1.005 -5.000 1.00 62.11 N ATOM 873 CA TYR A 61 5.769 2.171 -5.086 1.00 52.21 C ATOM 874 C TYR A 61 6.241 3.275 -4.144 1.00 71.11 C ATOM 875 O TYR A 61 7.053 3.036 -3.249 1.00 23.04 O ATOM 876 CB TYR A 61 4.328 1.782 -4.754 1.00 41.34 C ATOM 877 CG TYR A 61 3.347 2.926 -4.883 1.00 72.43 C ATOM 878 CD1 TYR A 61 3.238 3.890 -3.889 1.00 1.25 C ATOM 879 CD2 TYR A 61 2.530 3.042 -6.001 1.00 71.43 C ATOM 880 CE1 TYR A 61 2.343 4.936 -4.003 1.00 12.23 C ATOM 881 CE2 TYR A 61 1.633 4.085 -6.124 1.00 1.20 C ATOM 882 CZ TYR A 61 1.543 5.029 -5.123 1.00 44.42 C ATOM 883 OH TYR A 61 0.650 6.070 -5.242 1.00 53.44 O ATOM 0 H TYR A 61 6.947 0.776 -4.054 1.00 62.11 H new ATOM 0 HA TYR A 61 5.809 2.549 -6.108 1.00 52.21 H new ATOM 0 HB2 TYR A 61 4.018 0.972 -5.414 1.00 41.34 H new ATOM 0 HB3 TYR A 61 4.290 1.395 -3.736 1.00 41.34 H new ATOM 0 HD1 TYR A 61 3.864 3.821 -3.012 1.00 1.25 H new ATOM 0 HD2 TYR A 61 2.598 2.304 -6.787 1.00 71.43 H new ATOM 0 HE1 TYR A 61 2.270 5.676 -3.220 1.00 12.23 H new ATOM 0 HE2 TYR A 61 1.005 4.161 -7.000 1.00 1.20 H new ATOM 0 HH TYR A 61 -0.004 5.862 -5.942 1.00 53.44 H new ATOM 892 N GLN A 62 5.726 4.482 -4.351 1.00 13.12 N ATOM 893 CA GLN A 62 6.094 5.622 -3.521 1.00 51.40 C ATOM 894 C GLN A 62 4.961 6.643 -3.466 1.00 14.50 C ATOM 895 O GLN A 62 4.555 7.189 -4.491 1.00 71.45 O ATOM 896 CB GLN A 62 7.365 6.282 -4.058 1.00 55.31 C ATOM 897 CG GLN A 62 7.552 7.716 -3.587 1.00 73.33 C ATOM 898 CD GLN A 62 7.893 7.805 -2.112 1.00 11.13 C ATOM 899 OE1 GLN A 62 6.868 7.845 -1.269 1.00 51.40 O flip ATOM 900 NE2 GLN A 62 9.065 7.838 -1.736 1.00 11.23 N flip ATOM 0 H GLN A 62 5.052 4.696 -5.087 1.00 13.12 H new ATOM 0 HA GLN A 62 6.281 5.258 -2.511 1.00 51.40 H new ATOM 0 HB2 GLN A 62 8.228 5.692 -3.751 1.00 55.31 H new ATOM 0 HB3 GLN A 62 7.340 6.267 -5.148 1.00 55.31 H new ATOM 0 HG2 GLN A 62 8.346 8.185 -4.169 1.00 73.33 H new ATOM 0 HG3 GLN A 62 6.639 8.280 -3.780 1.00 73.33 H new ATOM 0 HE21 GLN A 62 9.821 7.805 -2.420 1.00 11.23 H new ATOM 0 HE22 GLN A 62 9.280 7.898 -0.741 1.00 11.23 H new ATOM 907 N GLU A 63 4.457 6.895 -2.262 1.00 54.11 N ATOM 908 CA GLU A 63 3.372 7.850 -2.074 1.00 32.02 C ATOM 909 C GLU A 63 3.846 9.064 -1.281 1.00 44.14 C ATOM 910 O GLU A 63 4.830 8.993 -0.545 1.00 43.14 O ATOM 911 CB GLU A 63 2.197 7.184 -1.355 1.00 2.42 C ATOM 912 CG GLU A 63 0.865 7.373 -2.062 1.00 64.11 C ATOM 913 CD GLU A 63 0.281 8.756 -1.847 1.00 10.11 C ATOM 914 OE1 GLU A 63 0.707 9.696 -2.552 1.00 64.51 O ATOM 915 OE2 GLU A 63 -0.602 8.898 -0.976 1.00 41.33 O ATOM 0 H GLU A 63 4.783 6.451 -1.403 1.00 54.11 H new ATOM 0 HA GLU A 63 3.044 8.187 -3.057 1.00 32.02 H new ATOM 0 HB2 GLU A 63 2.399 6.117 -1.258 1.00 2.42 H new ATOM 0 HB3 GLU A 63 2.123 7.588 -0.345 1.00 2.42 H new ATOM 0 HG2 GLU A 63 0.997 7.201 -3.130 1.00 64.11 H new ATOM 0 HG3 GLU A 63 0.158 6.625 -1.703 1.00 64.11 H new ATOM 920 N SER A 64 3.138 10.179 -1.436 1.00 13.10 N ATOM 921 CA SER A 64 3.488 11.410 -0.738 1.00 13.12 C ATOM 922 C SER A 64 2.271 11.997 -0.029 1.00 50.35 C ATOM 923 O SER A 64 1.517 12.778 -0.608 1.00 34.43 O ATOM 924 CB SER A 64 4.062 12.433 -1.721 1.00 22.20 C ATOM 925 OG SER A 64 3.059 12.916 -2.597 1.00 13.21 O ATOM 0 H SER A 64 2.319 10.254 -2.039 1.00 13.10 H new ATOM 0 HA SER A 64 4.244 11.172 0.011 1.00 13.12 H new ATOM 0 HB2 SER A 64 4.500 13.265 -1.170 1.00 22.20 H new ATOM 0 HB3 SER A 64 4.865 11.976 -2.299 1.00 22.20 H new ATOM 0 HG SER A 64 2.212 12.998 -2.111 1.00 13.21 H new ATOM 930 N GLY A 65 2.088 11.615 1.232 1.00 24.34 N ATOM 931 CA GLY A 65 0.961 12.111 2.000 1.00 42.54 C ATOM 932 C GLY A 65 -0.340 11.427 1.632 1.00 53.44 C ATOM 933 O GLY A 65 -0.858 11.616 0.532 1.00 34.53 O ATOM 0 H GLY A 65 2.700 10.972 1.734 1.00 24.34 H new ATOM 0 HA2 GLY A 65 1.157 11.964 3.062 1.00 42.54 H new ATOM 0 HA3 GLY A 65 0.861 13.185 1.840 1.00 42.54 H new ATOM 937 N ASP A 66 -0.868 10.629 2.553 1.00 52.24 N ATOM 938 CA ASP A 66 -2.116 9.913 2.320 1.00 22.43 C ATOM 939 C ASP A 66 -3.094 10.770 1.522 1.00 41.20 C ATOM 940 O ASP A 66 -3.700 11.697 2.057 1.00 43.24 O ATOM 941 CB ASP A 66 -2.749 9.499 3.650 1.00 13.23 C ATOM 942 CG ASP A 66 -4.210 9.122 3.503 1.00 54.14 C ATOM 943 OD1 ASP A 66 -4.491 8.040 2.946 1.00 2.30 O ATOM 944 OD2 ASP A 66 -5.072 9.908 3.948 1.00 1.40 O ATOM 0 H ASP A 66 -0.451 10.462 3.469 1.00 52.24 H new ATOM 0 HA ASP A 66 -1.889 9.018 1.741 1.00 22.43 H new ATOM 0 HB2 ASP A 66 -2.199 8.654 4.064 1.00 13.23 H new ATOM 0 HB3 ASP A 66 -2.658 10.318 4.363 1.00 13.23 H new ATOM 948 N ASN A 67 -3.240 10.455 0.240 1.00 30.52 N ATOM 949 CA ASN A 67 -4.143 11.198 -0.632 1.00 71.30 C ATOM 950 C ASN A 67 -5.170 10.268 -1.270 1.00 4.23 C ATOM 951 O ASN A 67 -4.824 9.210 -1.794 1.00 21.31 O ATOM 952 CB ASN A 67 -3.351 11.924 -1.721 1.00 52.22 C ATOM 953 CG ASN A 67 -2.393 11.003 -2.452 1.00 20.14 C ATOM 954 OD1 ASN A 67 -1.176 11.174 -2.385 1.00 71.05 O ATOM 955 ND2 ASN A 67 -2.941 10.020 -3.157 1.00 64.42 N ATOM 0 H ASN A 67 -2.745 9.690 -0.219 1.00 30.52 H new ATOM 0 HA ASN A 67 -4.672 11.933 -0.025 1.00 71.30 H new ATOM 0 HB2 ASN A 67 -4.044 12.365 -2.437 1.00 52.22 H new ATOM 0 HB3 ASN A 67 -2.791 12.745 -1.273 1.00 52.22 H new ATOM 0 HD21 ASN A 67 -2.348 9.369 -3.671 1.00 64.42 H new ATOM 0 HD22 ASN A 67 -3.955 9.916 -3.184 1.00 64.42 H new ATOM 961 N ALA A 68 -6.436 10.672 -1.224 1.00 2.42 N ATOM 962 CA ALA A 68 -7.513 9.877 -1.799 1.00 2.42 C ATOM 963 C ALA A 68 -7.234 9.553 -3.263 1.00 25.11 C ATOM 964 O ALA A 68 -6.790 10.400 -4.038 1.00 42.54 O ATOM 965 CB ALA A 68 -8.840 10.610 -1.662 1.00 64.31 C ATOM 0 H ALA A 68 -6.740 11.546 -0.794 1.00 2.42 H new ATOM 0 HA ALA A 68 -7.571 8.937 -1.251 1.00 2.42 H new ATOM 0 HB1 ALA A 68 -9.636 10.005 -2.096 1.00 64.31 H new ATOM 0 HB2 ALA A 68 -9.051 10.786 -0.607 1.00 64.31 H new ATOM 0 HB3 ALA A 68 -8.784 11.565 -2.185 1.00 64.31 H new ATOM 971 N PRO A 69 -7.501 8.297 -3.653 1.00 42.14 N ATOM 972 CA PRO A 69 -7.286 7.833 -5.026 1.00 31.43 C ATOM 973 C PRO A 69 -8.275 8.451 -6.009 1.00 51.42 C ATOM 974 O PRO A 69 -9.263 7.823 -6.388 1.00 2.13 O ATOM 975 CB PRO A 69 -7.505 6.321 -4.927 1.00 34.42 C ATOM 976 CG PRO A 69 -8.401 6.145 -3.750 1.00 73.44 C ATOM 977 CD PRO A 69 -8.032 7.235 -2.783 1.00 45.23 C ATOM 0 HA PRO A 69 -6.301 8.112 -5.401 1.00 31.43 H new ATOM 0 HB2 PRO A 69 -7.962 5.927 -5.835 1.00 34.42 H new ATOM 0 HB3 PRO A 69 -6.562 5.792 -4.789 1.00 34.42 H new ATOM 0 HG2 PRO A 69 -9.448 6.220 -4.042 1.00 73.44 H new ATOM 0 HG3 PRO A 69 -8.266 5.162 -3.300 1.00 73.44 H new ATOM 0 HD2 PRO A 69 -8.896 7.577 -2.214 1.00 45.23 H new ATOM 0 HD3 PRO A 69 -7.288 6.897 -2.061 1.00 45.23 H new ATOM 982 N SER A 70 -8.000 9.686 -6.418 1.00 23.25 N ATOM 983 CA SER A 70 -8.868 10.391 -7.355 1.00 64.31 C ATOM 984 C SER A 70 -8.519 10.030 -8.795 1.00 12.04 C ATOM 985 O SER A 70 -9.188 10.461 -9.735 1.00 64.23 O ATOM 986 CB SER A 70 -8.751 11.902 -7.152 1.00 22.22 C ATOM 987 OG SER A 70 -9.729 12.373 -6.242 1.00 61.41 O ATOM 0 H SER A 70 -7.184 10.218 -6.116 1.00 23.25 H new ATOM 0 HA SER A 70 -9.896 10.085 -7.162 1.00 64.31 H new ATOM 0 HB2 SER A 70 -7.756 12.146 -6.779 1.00 22.22 H new ATOM 0 HB3 SER A 70 -8.866 12.410 -8.109 1.00 22.22 H new ATOM 0 HG SER A 70 -9.631 13.341 -6.129 1.00 61.41 H new ATOM 992 N TYR A 71 -7.466 9.236 -8.961 1.00 2.45 N ATOM 993 CA TYR A 71 -7.025 8.820 -10.287 1.00 31.41 C ATOM 994 C TYR A 71 -6.764 7.317 -10.326 1.00 62.54 C ATOM 995 O TYR A 71 -6.788 6.644 -9.295 1.00 51.32 O ATOM 996 CB TYR A 71 -5.760 9.578 -10.688 1.00 21.14 C ATOM 997 CG TYR A 71 -4.702 9.605 -9.609 1.00 15.31 C ATOM 998 CD1 TYR A 71 -4.221 8.428 -9.051 1.00 73.41 C ATOM 999 CD2 TYR A 71 -4.182 10.808 -9.147 1.00 4.14 C ATOM 1000 CE1 TYR A 71 -3.255 8.446 -8.064 1.00 40.24 C ATOM 1001 CE2 TYR A 71 -3.215 10.838 -8.162 1.00 71.43 C ATOM 1002 CZ TYR A 71 -2.754 9.654 -7.623 1.00 4.33 C ATOM 1003 OH TYR A 71 -1.791 9.679 -6.641 1.00 64.11 O ATOM 0 H TYR A 71 -6.903 8.868 -8.194 1.00 2.45 H new ATOM 0 HA TYR A 71 -7.819 9.052 -10.996 1.00 31.41 H new ATOM 0 HB2 TYR A 71 -5.341 9.120 -11.584 1.00 21.14 H new ATOM 0 HB3 TYR A 71 -6.028 10.602 -10.948 1.00 21.14 H new ATOM 0 HD1 TYR A 71 -4.609 7.481 -9.395 1.00 73.41 H new ATOM 0 HD2 TYR A 71 -4.541 11.736 -9.566 1.00 4.14 H new ATOM 0 HE1 TYR A 71 -2.894 7.521 -7.640 1.00 40.24 H new ATOM 0 HE2 TYR A 71 -2.822 11.782 -7.815 1.00 71.43 H new ATOM 0 HH TYR A 71 -1.546 10.608 -6.447 1.00 64.11 H new ATOM 1012 N SER A 72 -6.517 6.797 -11.524 1.00 61.13 N ATOM 1013 CA SER A 72 -6.255 5.373 -11.700 1.00 51.42 C ATOM 1014 C SER A 72 -4.859 5.012 -11.201 1.00 53.13 C ATOM 1015 O SER A 72 -3.951 5.843 -11.161 1.00 12.12 O ATOM 1016 CB SER A 72 -6.398 4.985 -13.173 1.00 23.52 C ATOM 1017 OG SER A 72 -5.702 5.892 -14.009 1.00 2.44 O ATOM 0 H SER A 72 -6.493 7.340 -12.387 1.00 61.13 H new ATOM 0 HA SER A 72 -6.987 4.819 -11.113 1.00 51.42 H new ATOM 0 HB2 SER A 72 -6.013 3.977 -13.326 1.00 23.52 H new ATOM 0 HB3 SER A 72 -7.453 4.969 -13.447 1.00 23.52 H new ATOM 0 HG SER A 72 -5.808 5.621 -14.945 1.00 2.44 H new ATOM 1022 N PRO A 73 -4.682 3.741 -10.810 1.00 0.43 N ATOM 1023 CA PRO A 73 -3.400 3.239 -10.306 1.00 54.13 C ATOM 1024 C PRO A 73 -2.341 3.153 -11.400 1.00 75.10 C ATOM 1025 O PRO A 73 -2.641 2.921 -12.571 1.00 24.13 O ATOM 1026 CB PRO A 73 -3.745 1.842 -9.785 1.00 20.43 C ATOM 1027 CG PRO A 73 -4.946 1.433 -10.567 1.00 3.02 C ATOM 1028 CD PRO A 73 -5.719 2.697 -10.830 1.00 60.34 C ATOM 0 HA PRO A 73 -2.974 3.897 -9.549 1.00 54.13 H new ATOM 0 HB2 PRO A 73 -2.919 1.148 -9.936 1.00 20.43 H new ATOM 0 HB3 PRO A 73 -3.956 1.859 -8.716 1.00 20.43 H new ATOM 0 HG2 PRO A 73 -4.658 0.950 -11.501 1.00 3.02 H new ATOM 0 HG3 PRO A 73 -5.549 0.716 -10.010 1.00 3.02 H new ATOM 0 HD2 PRO A 73 -6.234 2.661 -11.790 1.00 60.34 H new ATOM 0 HD3 PRO A 73 -6.478 2.870 -10.067 1.00 60.34 H new ATOM 1033 N PRO A 74 -1.071 3.344 -11.012 1.00 31.21 N ATOM 1034 CA PRO A 74 0.058 3.291 -11.945 1.00 31.45 C ATOM 1035 C PRO A 74 0.322 1.879 -12.456 1.00 74.20 C ATOM 1036 O PRO A 74 0.029 0.886 -11.789 1.00 50.40 O ATOM 1037 CB PRO A 74 1.237 3.785 -11.103 1.00 34.20 C ATOM 1038 CG PRO A 74 0.855 3.475 -9.697 1.00 71.43 C ATOM 1039 CD PRO A 74 -0.640 3.624 -9.633 1.00 62.03 C ATOM 0 HA PRO A 74 -0.124 3.887 -12.839 1.00 31.45 H new ATOM 0 HB2 PRO A 74 2.162 3.280 -11.382 1.00 34.20 H new ATOM 0 HB3 PRO A 74 1.402 4.853 -11.242 1.00 34.20 H new ATOM 0 HG2 PRO A 74 1.159 2.465 -9.424 1.00 71.43 H new ATOM 0 HG3 PRO A 74 1.345 4.155 -9.000 1.00 71.43 H new ATOM 0 HD2 PRO A 74 -1.083 2.925 -8.924 1.00 62.03 H new ATOM 0 HD3 PRO A 74 -0.931 4.626 -9.317 1.00 62.03 H new ATOM 1044 N PRO A 75 0.891 1.783 -13.668 1.00 43.32 N ATOM 1045 CA PRO A 75 1.209 0.497 -14.294 1.00 30.11 C ATOM 1046 C PRO A 75 2.355 -0.222 -13.592 1.00 61.23 C ATOM 1047 O PRO A 75 3.438 0.329 -13.394 1.00 20.04 O ATOM 1048 CB PRO A 75 1.614 0.885 -15.718 1.00 42.53 C ATOM 1049 CG PRO A 75 2.093 2.292 -15.605 1.00 50.35 C ATOM 1050 CD PRO A 75 1.267 2.924 -14.519 1.00 51.51 C ATOM 0 HA PRO A 75 0.369 -0.196 -14.249 1.00 30.11 H new ATOM 0 HB2 PRO A 75 2.397 0.230 -16.100 1.00 42.53 H new ATOM 0 HB3 PRO A 75 0.771 0.808 -16.405 1.00 42.53 H new ATOM 0 HG2 PRO A 75 3.154 2.324 -15.357 1.00 50.35 H new ATOM 0 HG3 PRO A 75 1.970 2.823 -16.549 1.00 50.35 H new ATOM 0 HD2 PRO A 75 1.836 3.669 -13.963 1.00 51.51 H new ATOM 0 HD3 PRO A 75 0.390 3.429 -14.924 1.00 51.51 H new ATOM 1055 N PRO A 76 2.114 -1.484 -13.204 1.00 32.14 N ATOM 1056 CA PRO A 76 3.116 -2.307 -12.518 1.00 24.03 C ATOM 1057 C PRO A 76 4.266 -2.704 -13.436 1.00 11.32 C ATOM 1058 O PRO A 76 4.220 -2.507 -14.651 1.00 23.42 O ATOM 1059 CB PRO A 76 2.323 -3.543 -12.087 1.00 15.23 C ATOM 1060 CG PRO A 76 1.193 -3.625 -13.053 1.00 3.13 C ATOM 1061 CD PRO A 76 0.847 -2.205 -13.406 1.00 24.33 C ATOM 0 HA PRO A 76 3.585 -1.775 -11.690 1.00 24.03 H new ATOM 0 HB2 PRO A 76 2.940 -4.441 -12.122 1.00 15.23 H new ATOM 0 HB3 PRO A 76 1.962 -3.444 -11.063 1.00 15.23 H new ATOM 0 HG2 PRO A 76 1.479 -4.189 -13.941 1.00 3.13 H new ATOM 0 HG3 PRO A 76 0.338 -4.137 -12.611 1.00 3.13 H new ATOM 0 HD2 PRO A 76 0.497 -2.121 -14.435 1.00 24.33 H new ATOM 0 HD3 PRO A 76 0.056 -1.814 -12.767 1.00 24.33 H new ATOM 1066 N PRO A 77 5.325 -3.278 -12.846 1.00 44.21 N ATOM 1067 CA PRO A 77 6.508 -3.716 -13.592 1.00 1.43 C ATOM 1068 C PRO A 77 6.220 -4.926 -14.474 1.00 75.00 C ATOM 1069 O PRO A 77 5.121 -5.072 -15.007 1.00 42.42 O ATOM 1070 CB PRO A 77 7.508 -4.081 -12.492 1.00 3.34 C ATOM 1071 CG PRO A 77 6.664 -4.424 -11.312 1.00 10.53 C ATOM 1072 CD PRO A 77 5.449 -3.542 -11.401 1.00 34.45 C ATOM 0 HA PRO A 77 6.868 -2.946 -14.274 1.00 1.43 H new ATOM 0 HB2 PRO A 77 8.134 -4.922 -12.789 1.00 3.34 H new ATOM 0 HB3 PRO A 77 8.176 -3.248 -12.272 1.00 3.34 H new ATOM 0 HG2 PRO A 77 6.383 -5.477 -11.326 1.00 10.53 H new ATOM 0 HG3 PRO A 77 7.205 -4.250 -10.382 1.00 10.53 H new ATOM 0 HD2 PRO A 77 4.563 -4.038 -11.005 1.00 34.45 H new ATOM 0 HD3 PRO A 77 5.579 -2.620 -10.834 1.00 34.45 H new