USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 875 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 70 TYR OH : rot 75:sc= 0.487 USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.556 K(o=-0.069,f=-3.8!) USER MOD Set 2.1: A 56 THR OG1 : rot -110:sc= 0.624 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.0944 K(o=0.53,f=-1.9) USER MOD Set 3.1: A 8 CYS SG : rot 110:sc= -4.43! USER MOD Set 3.2: A 124 GLN : amide:sc= -0.488 X(o=-4.9,f=-4.9) USER MOD Single : A 9 ASN : amide:sc= -1.79 K(o=-1.8,f=-8!) USER MOD Single : A 14 ASN : amide:sc= -0.0443 K(o=-0.044,f=-0.73) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -140:sc= -0.555 (180deg=-2.11!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 22 THR OG1 : rot 64:sc= 0.346 USER MOD Single : A 25 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.97) USER MOD Single : A 28 SER OG : rot -25:sc= 1.32 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0484) USER MOD Single : A 34 THR OG1 : rot 84:sc= 0.716 USER MOD Single : A 40 THR OG1 : rot -67:sc= 0.184 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0409 K(o=-0.041,f=-0.92) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.16) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 74 THR OG1 : rot -52:sc= 0.968 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 30:sc= -3.36! USER MOD Single : A 83 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0.0176 (180deg=0.0151) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.5) USER MOD Single : A 114 CYS SG : rot 16:sc= -5.11! USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 178:sc= 0 (180deg=-0.00256) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -7.343 -6.346 -14.969 1.00 0.00 N ATOM 55 CA GLY A 5 -7.798 -4.993 -15.347 1.00 0.00 C ATOM 56 C GLY A 5 -8.189 -4.186 -14.101 1.00 0.00 C ATOM 57 O GLY A 5 -9.367 -3.969 -13.830 1.00 0.00 O ATOM 0 HA2 GLY A 5 -7.006 -4.475 -15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.651 -5.066 -16.022 1.00 0.00 H new ATOM 61 N ALA A 6 -7.167 -3.862 -13.318 1.00 0.00 N ATOM 62 CA ALA A 6 -7.288 -3.051 -12.089 1.00 0.00 C ATOM 63 C ALA A 6 -6.378 -1.821 -12.172 1.00 0.00 C ATOM 64 O ALA A 6 -5.353 -1.860 -12.852 1.00 0.00 O ATOM 65 CB ALA A 6 -6.909 -3.896 -10.869 1.00 0.00 C ATOM 0 H ALA A 6 -6.210 -4.155 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.321 -2.718 -11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.000 -3.293 -9.966 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.576 -4.755 -10.800 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.881 -4.242 -10.972 1.00 0.00 H new ATOM 71 N ALA A 7 -6.783 -0.759 -11.474 1.00 0.00 N ATOM 72 CA ALA A 7 -6.101 0.554 -11.421 1.00 0.00 C ATOM 73 C ALA A 7 -6.880 1.526 -10.523 1.00 0.00 C ATOM 74 O ALA A 7 -8.054 1.812 -10.753 1.00 0.00 O ATOM 75 CB ALA A 7 -5.935 1.208 -12.801 1.00 0.00 C ATOM 0 H ALA A 7 -7.628 -0.781 -10.904 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.108 0.356 -11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.428 2.167 -12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.343 0.556 -13.444 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.916 1.366 -13.249 1.00 0.00 H new ATOM 81 N CYS A 8 -6.278 1.805 -9.376 1.00 0.00 N ATOM 82 CA CYS A 8 -6.841 2.741 -8.382 1.00 0.00 C ATOM 83 C CYS A 8 -5.843 3.851 -8.016 1.00 0.00 C ATOM 84 O CYS A 8 -4.659 3.744 -8.317 1.00 0.00 O ATOM 85 CB CYS A 8 -7.278 1.942 -7.152 1.00 0.00 C ATOM 86 SG CYS A 8 -8.519 0.661 -7.577 1.00 0.00 S ATOM 0 H CYS A 8 -5.386 1.396 -9.097 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.707 3.245 -8.811 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.407 1.468 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.696 2.620 -6.408 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.981 -0.517 -7.469 1.00 0.00 H new ATOM 92 N ASN A 9 -6.340 4.938 -7.445 1.00 0.00 N ATOM 93 CA ASN A 9 -5.500 6.079 -7.027 1.00 0.00 C ATOM 94 C ASN A 9 -5.216 6.011 -5.524 1.00 0.00 C ATOM 95 O ASN A 9 -6.124 5.938 -4.689 1.00 0.00 O ATOM 96 CB ASN A 9 -6.167 7.410 -7.392 1.00 0.00 C ATOM 97 CG ASN A 9 -5.290 8.634 -7.097 1.00 0.00 C ATOM 98 OD1 ASN A 9 -4.556 8.730 -6.121 1.00 0.00 O ATOM 99 ND2 ASN A 9 -5.367 9.618 -7.958 1.00 0.00 N ATOM 0 H ASN A 9 -7.334 5.066 -7.253 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.552 6.019 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.421 7.402 -8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -7.103 7.502 -6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.816 10.464 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.978 9.538 -8.771 1.00 0.00 H new ATOM 106 N VAL A 10 -3.920 5.925 -5.248 1.00 0.00 N ATOM 107 CA VAL A 10 -3.388 5.898 -3.876 1.00 0.00 C ATOM 108 C VAL A 10 -2.225 6.903 -3.765 1.00 0.00 C ATOM 109 O VAL A 10 -1.468 7.140 -4.707 1.00 0.00 O ATOM 110 CB VAL A 10 -2.995 4.480 -3.382 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.075 3.427 -3.661 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.636 3.983 -3.877 1.00 0.00 C ATOM 0 H VAL A 10 -3.199 5.871 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.191 6.200 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.905 4.608 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.741 2.457 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.998 3.709 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.254 3.365 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.447 2.985 -3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.636 3.947 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.854 4.662 -3.537 1.00 0.00 H new ATOM 122 N LEU A 11 -2.071 7.430 -2.565 1.00 0.00 N ATOM 123 CA LEU A 11 -0.982 8.358 -2.240 1.00 0.00 C ATOM 124 C LEU A 11 0.219 7.575 -1.702 1.00 0.00 C ATOM 125 O LEU A 11 0.141 6.927 -0.657 1.00 0.00 O ATOM 126 CB LEU A 11 -1.536 9.386 -1.247 1.00 0.00 C ATOM 127 CG LEU A 11 -0.839 10.748 -1.308 1.00 0.00 C ATOM 128 CD1 LEU A 11 -0.923 11.390 -2.695 1.00 0.00 C ATOM 129 CD2 LEU A 11 -1.515 11.678 -0.302 1.00 0.00 C ATOM 0 H LEU A 11 -2.693 7.232 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.621 8.893 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.600 9.525 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.444 8.987 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 11 0.215 10.595 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.413 12.353 -2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.447 10.738 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.969 11.537 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.033 12.655 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.569 11.786 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.426 11.257 0.700 1.00 0.00 H new ATOM 141 N PHE A 12 1.204 7.465 -2.592 1.00 0.00 N ATOM 142 CA PHE A 12 2.498 6.801 -2.365 1.00 0.00 C ATOM 143 C PHE A 12 3.213 7.547 -1.248 1.00 0.00 C ATOM 144 O PHE A 12 3.375 8.766 -1.309 1.00 0.00 O ATOM 145 CB PHE A 12 3.389 6.899 -3.611 1.00 0.00 C ATOM 146 CG PHE A 12 4.737 6.169 -3.516 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.799 6.767 -2.844 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.905 4.912 -4.085 1.00 0.00 C ATOM 149 CE1 PHE A 12 7.011 6.104 -2.722 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.121 4.248 -3.963 1.00 0.00 C ATOM 151 CZ PHE A 12 7.174 4.845 -3.282 1.00 0.00 C ATOM 0 H PHE A 12 1.124 7.851 -3.533 1.00 0.00 H new ATOM 0 HA PHE A 12 2.319 5.753 -2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.838 6.500 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.579 7.952 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.679 7.751 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.090 4.450 -4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.829 6.568 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.246 3.268 -4.398 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.119 4.330 -3.188 1.00 0.00 H new ATOM 161 N ILE A 13 3.650 6.755 -0.290 1.00 0.00 N ATOM 162 CA ILE A 13 4.426 7.316 0.816 1.00 0.00 C ATOM 163 C ILE A 13 5.891 6.865 0.674 1.00 0.00 C ATOM 164 O ILE A 13 6.698 7.604 0.118 1.00 0.00 O ATOM 165 CB ILE A 13 3.762 6.966 2.157 1.00 0.00 C ATOM 166 CG1 ILE A 13 2.254 7.296 2.259 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.550 7.673 3.246 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.832 8.754 2.022 1.00 0.00 C ATOM 0 H ILE A 13 3.492 5.748 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 13 4.439 8.406 0.787 1.00 0.00 H new ATOM 0 HB ILE A 13 3.791 5.882 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.723 6.671 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.911 7.003 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.109 7.450 4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.584 7.329 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.523 8.749 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.750 8.841 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.319 9.397 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.127 9.060 1.018 1.00 0.00 H new ATOM 180 N ASN A 14 6.188 5.674 1.193 1.00 0.00 N ATOM 181 CA ASN A 14 7.522 5.039 1.178 1.00 0.00 C ATOM 182 C ASN A 14 7.495 3.686 1.897 1.00 0.00 C ATOM 183 O ASN A 14 6.504 3.326 2.544 1.00 0.00 O ATOM 184 CB ASN A 14 8.581 5.929 1.845 1.00 0.00 C ATOM 185 CG ASN A 14 9.725 6.212 0.869 1.00 0.00 C ATOM 186 OD1 ASN A 14 9.560 6.535 -0.299 1.00 0.00 O ATOM 187 ND2 ASN A 14 10.938 6.028 1.328 1.00 0.00 N ATOM 0 H ASN A 14 5.485 5.097 1.655 1.00 0.00 H new ATOM 0 HA ASN A 14 7.787 4.894 0.131 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.128 6.867 2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.968 5.439 2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.741 6.154 0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.079 5.759 2.302 1.00 0.00 H new ATOM 194 N SER A 15 8.555 2.912 1.672 1.00 0.00 N ATOM 195 CA SER A 15 8.744 1.628 2.364 1.00 0.00 C ATOM 196 C SER A 15 9.682 1.823 3.557 1.00 0.00 C ATOM 197 O SER A 15 10.645 2.590 3.518 1.00 0.00 O ATOM 198 CB SER A 15 9.302 0.535 1.442 1.00 0.00 C ATOM 199 OG SER A 15 10.683 0.721 1.118 1.00 0.00 O ATOM 0 H SER A 15 9.300 3.148 1.016 1.00 0.00 H new ATOM 0 HA SER A 15 7.763 1.294 2.701 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.176 -0.435 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.719 0.513 0.521 1.00 0.00 H new ATOM 0 HG SER A 15 10.982 -0.005 0.531 1.00 0.00 H new ATOM 205 N VAL A 16 9.275 1.198 4.648 1.00 0.00 N ATOM 206 CA VAL A 16 10.066 1.193 5.892 1.00 0.00 C ATOM 207 C VAL A 16 10.397 -0.250 6.280 1.00 0.00 C ATOM 208 O VAL A 16 9.519 -1.113 6.342 1.00 0.00 O ATOM 209 CB VAL A 16 9.413 2.011 7.028 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.419 3.508 6.700 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.984 1.570 7.339 1.00 0.00 C ATOM 0 H VAL A 16 8.398 0.681 4.709 1.00 0.00 H new ATOM 0 HA VAL A 16 11.007 1.712 5.708 1.00 0.00 H new ATOM 0 HB VAL A 16 10.018 1.822 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.954 4.061 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.447 3.848 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.861 3.681 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.581 2.183 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.365 1.688 6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.984 0.524 7.644 1.00 0.00 H new ATOM 221 N GLU A 17 11.684 -0.551 6.132 1.00 0.00 N ATOM 222 CA GLU A 17 12.232 -1.888 6.433 1.00 0.00 C ATOM 223 C GLU A 17 11.979 -2.201 7.912 1.00 0.00 C ATOM 224 O GLU A 17 12.455 -1.495 8.800 1.00 0.00 O ATOM 225 CB GLU A 17 13.734 -1.923 6.141 1.00 0.00 C ATOM 226 CG GLU A 17 14.282 -3.349 6.020 1.00 0.00 C ATOM 227 CD GLU A 17 14.520 -3.720 4.555 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.544 -3.249 4.018 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.685 -4.479 4.015 1.00 0.00 O ATOM 0 H GLU A 17 12.381 0.116 5.802 1.00 0.00 H new ATOM 0 HA GLU A 17 11.743 -2.634 5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.932 -1.383 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.266 -1.400 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.215 -3.433 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.580 -4.052 6.468 1.00 0.00 H new ATOM 236 N MET A 18 11.120 -3.185 8.125 1.00 0.00 N ATOM 237 CA MET A 18 10.734 -3.581 9.490 1.00 0.00 C ATOM 238 C MET A 18 11.696 -4.604 10.108 1.00 0.00 C ATOM 239 O MET A 18 11.780 -4.693 11.328 1.00 0.00 O ATOM 240 CB MET A 18 9.302 -4.104 9.489 1.00 0.00 C ATOM 241 CG MET A 18 8.490 -3.633 10.697 1.00 0.00 C ATOM 242 SD MET A 18 7.956 -1.885 10.592 1.00 0.00 S ATOM 243 CE MET A 18 9.235 -1.073 11.527 1.00 0.00 C ATOM 0 H MET A 18 10.674 -3.726 7.384 1.00 0.00 H new ATOM 0 HA MET A 18 10.794 -2.693 10.119 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.804 -3.780 8.575 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.320 -5.194 9.473 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.609 -4.267 10.800 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.087 -3.767 11.599 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.794 -0.288 12.141 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.733 -1.799 12.169 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.962 -0.634 10.844 1.00 0.00 H new ATOM 253 N GLU A 19 12.421 -5.315 9.231 1.00 0.00 N ATOM 254 CA GLU A 19 13.450 -6.331 9.560 1.00 0.00 C ATOM 255 C GLU A 19 12.780 -7.496 10.306 1.00 0.00 C ATOM 256 O GLU A 19 12.403 -7.357 11.465 1.00 0.00 O ATOM 257 CB GLU A 19 14.578 -5.756 10.435 1.00 0.00 C ATOM 258 CG GLU A 19 15.129 -4.416 9.935 1.00 0.00 C ATOM 259 CD GLU A 19 15.537 -3.538 11.120 1.00 0.00 C ATOM 260 OE1 GLU A 19 14.632 -2.887 11.684 1.00 0.00 O ATOM 261 OE2 GLU A 19 16.758 -3.478 11.381 1.00 0.00 O ATOM 0 H GLU A 19 12.306 -5.197 8.224 1.00 0.00 H new ATOM 0 HA GLU A 19 13.896 -6.669 8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.207 -5.629 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.393 -6.478 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.988 -4.587 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.375 -3.905 9.337 1.00 0.00 H new ATOM 268 N SER A 20 12.395 -8.501 9.517 1.00 0.00 N ATOM 269 CA SER A 20 11.657 -9.688 10.015 1.00 0.00 C ATOM 270 C SER A 20 10.516 -9.374 10.997 1.00 0.00 C ATOM 271 O SER A 20 10.556 -9.663 12.190 1.00 0.00 O ATOM 272 CB SER A 20 12.608 -10.724 10.626 1.00 0.00 C ATOM 273 OG SER A 20 13.521 -10.154 11.562 1.00 0.00 O ATOM 0 H SER A 20 12.581 -8.525 8.514 1.00 0.00 H new ATOM 0 HA SER A 20 11.181 -10.104 9.127 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.023 -11.499 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.169 -11.210 9.828 1.00 0.00 H new ATOM 0 HG SER A 20 14.102 -10.857 11.922 1.00 0.00 H new ATOM 279 N LEU A 21 9.465 -8.802 10.425 1.00 0.00 N ATOM 280 CA LEU A 21 8.278 -8.380 11.190 1.00 0.00 C ATOM 281 C LEU A 21 7.439 -9.572 11.711 1.00 0.00 C ATOM 282 O LEU A 21 7.887 -10.266 12.614 1.00 0.00 O ATOM 283 CB LEU A 21 7.543 -7.300 10.379 1.00 0.00 C ATOM 284 CG LEU A 21 7.228 -7.723 8.939 1.00 0.00 C ATOM 285 CD1 LEU A 21 5.728 -7.901 8.804 1.00 0.00 C ATOM 286 CD2 LEU A 21 7.717 -6.706 7.913 1.00 0.00 C ATOM 0 H LEU A 21 9.402 -8.614 9.424 1.00 0.00 H new ATOM 0 HA LEU A 21 8.563 -7.910 12.132 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.612 -7.047 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.151 -6.396 10.359 1.00 0.00 H new ATOM 0 HG LEU A 21 7.752 -8.657 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.488 -8.202 7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.389 -8.669 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.228 -6.960 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.469 -7.053 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.234 -5.746 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.797 -6.591 8.001 1.00 0.00 H new ATOM 298 N THR A 22 6.310 -9.865 11.060 1.00 0.00 N ATOM 299 CA THR A 22 5.332 -10.944 11.365 1.00 0.00 C ATOM 300 C THR A 22 4.105 -10.896 10.431 1.00 0.00 C ATOM 301 O THR A 22 3.708 -11.905 9.859 1.00 0.00 O ATOM 302 CB THR A 22 4.993 -11.007 12.876 1.00 0.00 C ATOM 303 OG1 THR A 22 5.784 -12.059 13.427 1.00 0.00 O ATOM 304 CG2 THR A 22 3.531 -11.206 13.295 1.00 0.00 C ATOM 0 H THR A 22 6.023 -9.323 10.245 1.00 0.00 H new ATOM 0 HA THR A 22 5.808 -11.900 11.145 1.00 0.00 H new ATOM 0 HB THR A 22 5.210 -10.009 13.257 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.734 -11.831 13.347 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.464 -11.228 14.383 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.927 -10.384 12.911 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.161 -12.148 12.890 1.00 0.00 H new ATOM 312 N GLY A 23 3.587 -9.677 10.222 1.00 0.00 N ATOM 313 CA GLY A 23 2.433 -9.421 9.330 1.00 0.00 C ATOM 314 C GLY A 23 1.517 -8.364 9.965 1.00 0.00 C ATOM 315 O GLY A 23 1.791 -7.175 9.755 1.00 0.00 O ATOM 0 H GLY A 23 3.953 -8.835 10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.782 -9.077 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.878 -10.344 9.162 1.00 0.00 H new ATOM 319 N PRO A 24 0.611 -8.773 10.877 1.00 0.00 N ATOM 320 CA PRO A 24 -0.281 -7.864 11.631 1.00 0.00 C ATOM 321 C PRO A 24 0.431 -7.052 12.735 1.00 0.00 C ATOM 322 O PRO A 24 -0.046 -6.907 13.856 1.00 0.00 O ATOM 323 CB PRO A 24 -1.371 -8.790 12.180 1.00 0.00 C ATOM 324 CG PRO A 24 -0.614 -10.088 12.448 1.00 0.00 C ATOM 325 CD PRO A 24 0.331 -10.178 11.251 1.00 0.00 C ATOM 0 HA PRO A 24 -0.681 -7.077 10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.821 -8.390 13.089 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.178 -8.934 11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.070 -10.052 13.392 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.285 -10.945 12.499 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.248 -10.707 11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.128 -10.722 10.426 1.00 0.00 H new ATOM 333 N GLN A 25 1.566 -6.478 12.349 1.00 0.00 N ATOM 334 CA GLN A 25 2.418 -5.633 13.202 1.00 0.00 C ATOM 335 C GLN A 25 3.081 -4.523 12.378 1.00 0.00 C ATOM 336 O GLN A 25 2.823 -3.353 12.644 1.00 0.00 O ATOM 337 CB GLN A 25 3.492 -6.455 13.925 1.00 0.00 C ATOM 338 CG GLN A 25 4.011 -5.729 15.175 1.00 0.00 C ATOM 339 CD GLN A 25 2.992 -5.666 16.325 1.00 0.00 C ATOM 340 OE1 GLN A 25 1.866 -6.136 16.262 1.00 0.00 O ATOM 341 NE2 GLN A 25 3.388 -5.087 17.433 1.00 0.00 N ATOM 0 H GLN A 25 1.937 -6.587 11.405 1.00 0.00 H new ATOM 0 HA GLN A 25 1.771 -5.183 13.955 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.080 -7.423 14.210 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.322 -6.649 13.245 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.912 -6.231 15.528 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.299 -4.714 14.901 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.326 -4.692 17.495 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.758 -5.032 18.233 1.00 0.00 H new ATOM 350 N ALA A 26 3.703 -4.888 11.254 1.00 0.00 N ATOM 351 CA ALA A 26 4.317 -3.907 10.340 1.00 0.00 C ATOM 352 C ALA A 26 3.294 -2.934 9.755 1.00 0.00 C ATOM 353 O ALA A 26 3.538 -1.746 9.803 1.00 0.00 O ATOM 354 CB ALA A 26 5.034 -4.566 9.174 1.00 0.00 C ATOM 0 H ALA A 26 3.798 -5.857 10.950 1.00 0.00 H new ATOM 0 HA ALA A 26 5.033 -3.367 10.959 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.467 -3.799 8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.826 -5.213 9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.324 -5.160 8.599 1.00 0.00 H new ATOM 360 N ILE A 27 2.067 -3.389 9.537 1.00 0.00 N ATOM 361 CA ILE A 27 0.973 -2.514 9.057 1.00 0.00 C ATOM 362 C ILE A 27 0.683 -1.359 10.049 1.00 0.00 C ATOM 363 O ILE A 27 0.336 -0.256 9.642 1.00 0.00 O ATOM 364 CB ILE A 27 -0.268 -3.371 8.764 1.00 0.00 C ATOM 365 CG1 ILE A 27 0.079 -4.524 7.807 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.338 -2.500 8.103 1.00 0.00 C ATOM 367 CD1 ILE A 27 -0.864 -5.719 7.968 1.00 0.00 C ATOM 0 H ILE A 27 1.791 -4.360 9.682 1.00 0.00 H new ATOM 0 HA ILE A 27 1.280 -2.030 8.130 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.632 -3.783 9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.034 -4.165 6.779 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.104 -4.847 7.988 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.221 -3.104 7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.608 -1.684 8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.949 -2.090 7.171 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.577 -6.506 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.801 -6.098 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.887 -5.406 7.760 1.00 0.00 H new ATOM 379 N SER A 28 1.010 -1.587 11.319 1.00 0.00 N ATOM 380 CA SER A 28 0.895 -0.574 12.386 1.00 0.00 C ATOM 381 C SER A 28 2.236 0.101 12.709 1.00 0.00 C ATOM 382 O SER A 28 2.313 1.318 12.611 1.00 0.00 O ATOM 383 CB SER A 28 0.247 -1.150 13.652 1.00 0.00 C ATOM 384 OG SER A 28 1.027 -2.170 14.289 1.00 0.00 O ATOM 0 H SER A 28 1.366 -2.485 11.648 1.00 0.00 H new ATOM 0 HA SER A 28 0.236 0.202 11.997 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.076 -0.341 14.362 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.730 -1.560 13.395 1.00 0.00 H new ATOM 0 HG SER A 28 1.607 -2.600 13.626 1.00 0.00 H new ATOM 390 N LYS A 29 3.315 -0.680 12.805 1.00 0.00 N ATOM 391 CA LYS A 29 4.676 -0.180 13.071 1.00 0.00 C ATOM 392 C LYS A 29 5.200 0.707 11.928 1.00 0.00 C ATOM 393 O LYS A 29 5.593 1.835 12.184 1.00 0.00 O ATOM 394 CB LYS A 29 5.582 -1.377 13.368 1.00 0.00 C ATOM 395 CG LYS A 29 6.562 -1.029 14.490 1.00 0.00 C ATOM 396 CD LYS A 29 7.068 -2.295 15.188 1.00 0.00 C ATOM 397 CE LYS A 29 7.986 -1.976 16.374 1.00 0.00 C ATOM 398 NZ LYS A 29 7.302 -1.278 17.476 1.00 0.00 N ATOM 0 H LYS A 29 3.272 -1.694 12.699 1.00 0.00 H new ATOM 0 HA LYS A 29 4.665 0.472 13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.978 -2.237 13.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.131 -1.659 12.470 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.406 -0.473 14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.073 -0.379 15.216 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.217 -2.880 15.537 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.607 -2.913 14.470 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.413 -2.905 16.752 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.816 -1.362 16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.945 -1.199 18.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.021 -0.327 17.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.456 -1.815 17.755 1.00 0.00 H new ATOM 412 N ALA A 30 4.886 0.327 10.693 1.00 0.00 N ATOM 413 CA ALA A 30 5.100 1.139 9.484 1.00 0.00 C ATOM 414 C ALA A 30 4.238 2.405 9.508 1.00 0.00 C ATOM 415 O ALA A 30 4.800 3.460 9.747 1.00 0.00 O ATOM 416 CB ALA A 30 4.795 0.322 8.235 1.00 0.00 C ATOM 0 H ALA A 30 4.463 -0.579 10.493 1.00 0.00 H new ATOM 0 HA ALA A 30 6.147 1.440 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.958 0.936 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.452 -0.547 8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.757 -0.009 8.261 1.00 0.00 H new ATOM 422 N VAL A 31 2.912 2.278 9.607 1.00 0.00 N ATOM 423 CA VAL A 31 2.006 3.450 9.697 1.00 0.00 C ATOM 424 C VAL A 31 2.429 4.439 10.808 1.00 0.00 C ATOM 425 O VAL A 31 2.643 5.615 10.527 1.00 0.00 O ATOM 426 CB VAL A 31 0.547 2.972 9.823 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.411 4.031 10.381 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.039 2.563 8.440 1.00 0.00 C ATOM 0 H VAL A 31 2.432 1.378 9.628 1.00 0.00 H new ATOM 0 HA VAL A 31 2.085 4.025 8.774 1.00 0.00 H new ATOM 0 HB VAL A 31 0.558 2.141 10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.418 3.617 10.439 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.084 4.329 11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.414 4.901 9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.994 2.223 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.090 3.418 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.658 1.756 8.049 1.00 0.00 H new ATOM 438 N ALA A 32 2.683 3.911 11.999 1.00 0.00 N ATOM 439 CA ALA A 32 3.130 4.685 13.176 1.00 0.00 C ATOM 440 C ALA A 32 4.513 5.341 12.999 1.00 0.00 C ATOM 441 O ALA A 32 4.704 6.483 13.403 1.00 0.00 O ATOM 442 CB ALA A 32 3.118 3.789 14.416 1.00 0.00 C ATOM 0 H ALA A 32 2.585 2.914 12.189 1.00 0.00 H new ATOM 0 HA ALA A 32 2.424 5.507 13.297 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.448 4.362 15.282 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.107 3.420 14.589 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.791 2.945 14.262 1.00 0.00 H new ATOM 448 N GLU A 33 5.385 4.683 12.237 1.00 0.00 N ATOM 449 CA GLU A 33 6.738 5.173 11.890 1.00 0.00 C ATOM 450 C GLU A 33 6.800 5.671 10.428 1.00 0.00 C ATOM 451 O GLU A 33 7.798 5.515 9.721 1.00 0.00 O ATOM 452 CB GLU A 33 7.743 4.025 12.082 1.00 0.00 C ATOM 453 CG GLU A 33 7.798 3.446 13.501 1.00 0.00 C ATOM 454 CD GLU A 33 8.982 3.977 14.303 1.00 0.00 C ATOM 455 OE1 GLU A 33 10.081 3.412 14.111 1.00 0.00 O ATOM 456 OE2 GLU A 33 8.743 4.858 15.154 1.00 0.00 O ATOM 0 H GLU A 33 5.175 3.772 11.829 1.00 0.00 H new ATOM 0 HA GLU A 33 6.983 6.012 12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.493 3.223 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.737 4.382 11.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.872 3.686 14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.860 2.359 13.444 1.00 0.00 H new ATOM 463 N THR A 34 5.647 6.102 9.915 1.00 0.00 N ATOM 464 CA THR A 34 5.545 6.629 8.540 1.00 0.00 C ATOM 465 C THR A 34 4.595 7.829 8.440 1.00 0.00 C ATOM 466 O THR A 34 5.067 8.907 8.112 1.00 0.00 O ATOM 467 CB THR A 34 5.252 5.520 7.520 1.00 0.00 C ATOM 468 OG1 THR A 34 6.268 4.521 7.617 1.00 0.00 O ATOM 469 CG2 THR A 34 5.327 6.037 6.090 1.00 0.00 C ATOM 0 H THR A 34 4.765 6.099 10.427 1.00 0.00 H new ATOM 0 HA THR A 34 6.526 7.022 8.273 1.00 0.00 H new ATOM 0 HB THR A 34 4.254 5.140 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.045 3.896 8.338 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.114 5.223 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.595 6.832 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.326 6.426 5.896 1.00 0.00 H new ATOM 477 N LEU A 35 3.355 7.699 8.907 1.00 0.00 N ATOM 478 CA LEU A 35 2.419 8.842 9.026 1.00 0.00 C ATOM 479 C LEU A 35 3.002 9.950 9.927 1.00 0.00 C ATOM 480 O LEU A 35 3.040 11.119 9.548 1.00 0.00 O ATOM 481 CB LEU A 35 1.071 8.288 9.515 1.00 0.00 C ATOM 482 CG LEU A 35 0.288 9.124 10.538 1.00 0.00 C ATOM 483 CD1 LEU A 35 -0.363 10.375 9.943 1.00 0.00 C ATOM 484 CD2 LEU A 35 -0.741 8.233 11.218 1.00 0.00 C ATOM 0 H LEU A 35 2.962 6.810 9.215 1.00 0.00 H new ATOM 0 HA LEU A 35 2.264 9.327 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.433 8.139 8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.250 7.305 9.951 1.00 0.00 H new ATOM 0 HG LEU A 35 1.001 9.501 11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.898 10.914 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.407 11.020 9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.063 10.084 9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.303 8.817 11.947 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.425 7.831 10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.233 7.412 11.724 1.00 0.00 H new ATOM 496 N VAL A 36 3.629 9.491 11.007 1.00 0.00 N ATOM 497 CA VAL A 36 4.274 10.352 12.023 1.00 0.00 C ATOM 498 C VAL A 36 5.811 10.236 11.909 1.00 0.00 C ATOM 499 O VAL A 36 6.538 10.789 12.736 1.00 0.00 O ATOM 500 CB VAL A 36 3.742 9.960 13.427 1.00 0.00 C ATOM 501 CG1 VAL A 36 4.258 10.854 14.561 1.00 0.00 C ATOM 502 CG2 VAL A 36 2.213 10.013 13.505 1.00 0.00 C ATOM 0 H VAL A 36 3.710 8.496 11.214 1.00 0.00 H new ATOM 0 HA VAL A 36 4.025 11.400 11.857 1.00 0.00 H new ATOM 0 HB VAL A 36 4.114 8.944 13.560 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.841 10.516 15.510 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.346 10.798 14.602 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.954 11.885 14.378 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.890 9.730 14.507 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.872 11.025 13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.787 9.321 12.778 1.00 0.00 H new ATOM 512 N ALA A 37 6.316 9.686 10.795 1.00 0.00 N ATOM 513 CA ALA A 37 7.771 9.580 10.581 1.00 0.00 C ATOM 514 C ALA A 37 8.408 10.973 10.694 1.00 0.00 C ATOM 515 O ALA A 37 7.778 12.009 10.484 1.00 0.00 O ATOM 516 CB ALA A 37 8.108 8.969 9.220 1.00 0.00 C ATOM 0 H ALA A 37 5.748 9.311 10.035 1.00 0.00 H new ATOM 0 HA ALA A 37 8.173 8.918 11.348 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.190 8.910 9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.681 7.968 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.693 9.593 8.428 1.00 0.00 H new ATOM 522 N ASP A 38 9.536 10.966 11.375 1.00 0.00 N ATOM 523 CA ASP A 38 10.232 12.210 11.734 1.00 0.00 C ATOM 524 C ASP A 38 11.702 12.185 11.288 1.00 0.00 C ATOM 525 O ASP A 38 12.512 11.533 11.944 1.00 0.00 O ATOM 526 CB ASP A 38 9.994 12.576 13.211 1.00 0.00 C ATOM 527 CG ASP A 38 9.872 11.390 14.181 1.00 0.00 C ATOM 528 OD1 ASP A 38 10.717 10.470 14.087 1.00 0.00 O ATOM 529 OD2 ASP A 38 8.898 11.401 14.963 1.00 0.00 O ATOM 0 H ASP A 38 10.000 10.117 11.697 1.00 0.00 H new ATOM 0 HA ASP A 38 9.797 13.037 11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.814 13.212 13.545 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.083 13.170 13.277 1.00 0.00 H new ATOM 534 N PRO A 39 11.972 12.788 10.120 1.00 0.00 N ATOM 535 CA PRO A 39 11.011 13.475 9.224 1.00 0.00 C ATOM 536 C PRO A 39 10.097 12.531 8.416 1.00 0.00 C ATOM 537 O PRO A 39 10.435 11.371 8.193 1.00 0.00 O ATOM 538 CB PRO A 39 11.889 14.330 8.312 1.00 0.00 C ATOM 539 CG PRO A 39 13.173 13.509 8.190 1.00 0.00 C ATOM 540 CD PRO A 39 13.347 12.905 9.586 1.00 0.00 C ATOM 0 HA PRO A 39 10.299 14.058 9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.422 14.493 7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.079 15.313 8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.084 12.736 7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.023 14.133 7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.837 11.933 9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.964 13.542 10.219 1.00 0.00 H new ATOM 548 N THR A 40 8.906 13.033 8.096 1.00 0.00 N ATOM 549 CA THR A 40 7.889 12.277 7.325 1.00 0.00 C ATOM 550 C THR A 40 8.191 12.279 5.816 1.00 0.00 C ATOM 551 O THR A 40 8.601 13.315 5.285 1.00 0.00 O ATOM 552 CB THR A 40 6.457 12.714 7.727 1.00 0.00 C ATOM 553 OG1 THR A 40 5.839 11.594 8.360 1.00 0.00 O ATOM 554 CG2 THR A 40 5.530 13.257 6.630 1.00 0.00 C ATOM 0 H THR A 40 8.607 13.973 8.358 1.00 0.00 H new ATOM 0 HA THR A 40 7.945 11.222 7.593 1.00 0.00 H new ATOM 0 HB THR A 40 6.595 13.582 8.372 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.707 10.879 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.566 13.520 7.065 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.978 14.143 6.180 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.387 12.494 5.864 1.00 0.00 H new ATOM 562 N PRO A 41 8.029 11.131 5.148 1.00 0.00 N ATOM 563 CA PRO A 41 8.180 11.042 3.685 1.00 0.00 C ATOM 564 C PRO A 41 7.027 11.744 2.963 1.00 0.00 C ATOM 565 O PRO A 41 5.926 11.905 3.492 1.00 0.00 O ATOM 566 CB PRO A 41 8.262 9.547 3.377 1.00 0.00 C ATOM 567 CG PRO A 41 7.510 8.889 4.531 1.00 0.00 C ATOM 568 CD PRO A 41 7.761 9.802 5.728 1.00 0.00 C ATOM 0 HA PRO A 41 9.074 11.554 3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.803 9.312 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.296 9.206 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.445 8.805 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.877 7.880 4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.897 9.829 6.392 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.607 9.452 6.320 1.00 0.00 H new ATOM 576 N THR A 42 7.367 12.235 1.777 1.00 0.00 N ATOM 577 CA THR A 42 6.416 12.945 0.902 1.00 0.00 C ATOM 578 C THR A 42 5.355 11.980 0.347 1.00 0.00 C ATOM 579 O THR A 42 5.598 10.790 0.152 1.00 0.00 O ATOM 580 CB THR A 42 7.127 13.729 -0.221 1.00 0.00 C ATOM 581 OG1 THR A 42 6.165 14.502 -0.946 1.00 0.00 O ATOM 582 CG2 THR A 42 7.951 12.852 -1.174 1.00 0.00 C ATOM 0 H THR A 42 8.306 12.157 1.387 1.00 0.00 H new ATOM 0 HA THR A 42 5.903 13.687 1.513 1.00 0.00 H new ATOM 0 HB THR A 42 7.851 14.384 0.264 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.616 15.001 -1.658 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.418 13.479 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.723 12.329 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.298 12.125 -1.656 1.00 0.00 H new ATOM 590 N ALA A 43 4.198 12.561 0.080 1.00 0.00 N ATOM 591 CA ALA A 43 3.029 11.845 -0.446 1.00 0.00 C ATOM 592 C ALA A 43 2.811 12.188 -1.929 1.00 0.00 C ATOM 593 O ALA A 43 2.677 13.350 -2.313 1.00 0.00 O ATOM 594 CB ALA A 43 1.852 12.260 0.435 1.00 0.00 C ATOM 0 H ALA A 43 4.033 13.558 0.222 1.00 0.00 H new ATOM 0 HA ALA A 43 3.157 10.763 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.947 11.758 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.054 11.979 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.714 13.339 0.373 1.00 0.00 H new ATOM 600 N THR A 44 2.987 11.173 -2.772 1.00 0.00 N ATOM 601 CA THR A 44 2.856 11.311 -4.242 1.00 0.00 C ATOM 602 C THR A 44 1.667 10.516 -4.804 1.00 0.00 C ATOM 603 O THR A 44 1.444 9.362 -4.457 1.00 0.00 O ATOM 604 CB THR A 44 4.198 10.956 -4.914 1.00 0.00 C ATOM 605 OG1 THR A 44 5.114 11.999 -4.580 1.00 0.00 O ATOM 606 CG2 THR A 44 4.163 10.815 -6.441 1.00 0.00 C ATOM 0 H THR A 44 3.224 10.229 -2.468 1.00 0.00 H new ATOM 0 HA THR A 44 2.627 12.350 -4.477 1.00 0.00 H new ATOM 0 HB THR A 44 4.483 9.971 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.985 11.812 -4.987 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.159 10.565 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.466 10.024 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.839 11.756 -6.886 1.00 0.00 H new ATOM 614 N ILE A 45 0.968 11.136 -5.749 1.00 0.00 N ATOM 615 CA ILE A 45 -0.229 10.541 -6.384 1.00 0.00 C ATOM 616 C ILE A 45 0.209 9.440 -7.371 1.00 0.00 C ATOM 617 O ILE A 45 0.868 9.717 -8.377 1.00 0.00 O ATOM 618 CB ILE A 45 -1.112 11.609 -7.057 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.437 12.760 -6.088 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.416 10.958 -7.537 1.00 0.00 C ATOM 621 CD1 ILE A 45 -2.011 14.019 -6.752 1.00 0.00 C ATOM 0 H ILE A 45 1.205 12.063 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.849 10.086 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.564 12.024 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.150 12.401 -5.346 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.528 13.032 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.044 11.710 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.187 10.169 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.945 10.531 -6.685 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.208 14.774 -5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.293 14.410 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.940 13.769 -7.264 1.00 0.00 H new ATOM 633 N VAL A 46 -0.033 8.207 -6.941 1.00 0.00 N ATOM 634 CA VAL A 46 0.267 6.999 -7.738 1.00 0.00 C ATOM 635 C VAL A 46 -0.978 6.142 -8.009 1.00 0.00 C ATOM 636 O VAL A 46 -1.988 6.204 -7.307 1.00 0.00 O ATOM 637 CB VAL A 46 1.407 6.129 -7.158 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.717 6.908 -7.045 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.065 5.440 -5.836 1.00 0.00 C ATOM 0 H VAL A 46 -0.443 8.005 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 46 0.624 7.390 -8.690 1.00 0.00 H new ATOM 0 HB VAL A 46 1.540 5.327 -7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.491 6.260 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.021 7.254 -8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.575 7.766 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.919 4.851 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.826 6.193 -5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.206 4.784 -5.979 1.00 0.00 H new ATOM 649 N HIS A 47 -0.831 5.297 -9.019 1.00 0.00 N ATOM 650 CA HIS A 47 -1.864 4.312 -9.386 1.00 0.00 C ATOM 651 C HIS A 47 -1.465 2.892 -8.966 1.00 0.00 C ATOM 652 O HIS A 47 -0.335 2.452 -9.181 1.00 0.00 O ATOM 653 CB HIS A 47 -2.178 4.389 -10.879 1.00 0.00 C ATOM 654 CG HIS A 47 -2.968 5.679 -11.234 1.00 0.00 C ATOM 655 ND1 HIS A 47 -4.268 5.767 -11.311 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.433 6.863 -11.496 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.574 7.039 -11.630 1.00 0.00 C ATOM 658 NE2 HIS A 47 -3.438 7.710 -11.738 1.00 0.00 N ATOM 0 H HIS A 47 -0.001 5.267 -9.611 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.773 4.561 -8.839 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.249 4.363 -11.448 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.757 3.514 -11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.379 7.100 -11.511 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.567 7.439 -11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.346 8.700 -11.966 1.00 0.00 H new ATOM 666 N PHE A 48 -2.417 2.279 -8.274 1.00 0.00 N ATOM 667 CA PHE A 48 -2.362 0.924 -7.700 1.00 0.00 C ATOM 668 C PHE A 48 -2.949 -0.087 -8.698 1.00 0.00 C ATOM 669 O PHE A 48 -4.159 -0.137 -8.930 1.00 0.00 O ATOM 670 CB PHE A 48 -3.176 0.913 -6.400 1.00 0.00 C ATOM 671 CG PHE A 48 -2.591 -0.042 -5.359 1.00 0.00 C ATOM 672 CD1 PHE A 48 -1.562 0.409 -4.550 1.00 0.00 C ATOM 673 CD2 PHE A 48 -3.075 -1.331 -5.190 1.00 0.00 C ATOM 674 CE1 PHE A 48 -0.991 -0.416 -3.593 1.00 0.00 C ATOM 675 CE2 PHE A 48 -2.516 -2.160 -4.224 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.473 -1.706 -3.425 1.00 0.00 C ATOM 0 H PHE A 48 -3.308 2.737 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.329 0.646 -7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.211 1.921 -5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.204 0.623 -6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.198 1.419 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.885 -1.690 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.176 -0.057 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.894 -3.163 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.040 -2.354 -2.677 1.00 0.00 H new ATOM 686 N LYS A 49 -2.032 -0.777 -9.358 1.00 0.00 N ATOM 687 CA LYS A 49 -2.346 -1.798 -10.377 1.00 0.00 C ATOM 688 C LYS A 49 -2.168 -3.212 -9.813 1.00 0.00 C ATOM 689 O LYS A 49 -1.059 -3.623 -9.485 1.00 0.00 O ATOM 690 CB LYS A 49 -1.492 -1.558 -11.627 1.00 0.00 C ATOM 691 CG LYS A 49 -2.422 -1.143 -12.768 1.00 0.00 C ATOM 692 CD LYS A 49 -1.788 -0.396 -13.946 1.00 0.00 C ATOM 693 CE LYS A 49 -1.032 -1.281 -14.941 1.00 0.00 C ATOM 694 NZ LYS A 49 0.423 -1.158 -14.776 1.00 0.00 N ATOM 0 H LYS A 49 -1.031 -0.651 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.394 -1.710 -10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.752 -0.781 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.944 -2.462 -11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.904 -2.041 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.209 -0.514 -12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.572 0.140 -14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.101 0.354 -13.554 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.328 -2.321 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.308 -1.004 -15.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.904 -1.771 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.708 -0.170 -14.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.689 -1.446 -13.813 1.00 0.00 H new ATOM 708 N VAL A 50 -3.306 -3.819 -9.493 1.00 0.00 N ATOM 709 CA VAL A 50 -3.362 -5.177 -8.906 1.00 0.00 C ATOM 710 C VAL A 50 -3.645 -6.188 -10.026 1.00 0.00 C ATOM 711 O VAL A 50 -4.705 -6.172 -10.651 1.00 0.00 O ATOM 712 CB VAL A 50 -4.423 -5.294 -7.790 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.411 -6.672 -7.118 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.226 -4.240 -6.702 1.00 0.00 C ATOM 0 H VAL A 50 -4.223 -3.393 -9.629 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.399 -5.388 -8.440 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.381 -5.139 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.174 -6.704 -6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.618 -7.441 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.432 -6.851 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.994 -4.359 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.242 -4.363 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.302 -3.245 -7.141 1.00 0.00 H new ATOM 724 N SER A 51 -2.599 -6.933 -10.347 1.00 0.00 N ATOM 725 CA SER A 51 -2.633 -8.013 -11.350 1.00 0.00 C ATOM 726 C SER A 51 -2.068 -9.302 -10.737 1.00 0.00 C ATOM 727 O SER A 51 -1.471 -9.276 -9.662 1.00 0.00 O ATOM 728 CB SER A 51 -1.845 -7.605 -12.604 1.00 0.00 C ATOM 729 OG SER A 51 -0.429 -7.635 -12.401 1.00 0.00 O ATOM 0 H SER A 51 -1.682 -6.811 -9.917 1.00 0.00 H new ATOM 0 HA SER A 51 -3.665 -8.194 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.104 -8.274 -13.425 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.144 -6.601 -12.905 1.00 0.00 H new ATOM 0 HG SER A 51 0.026 -7.369 -13.228 1.00 0.00 H new ATOM 735 N ALA A 52 -2.244 -10.419 -11.435 1.00 0.00 N ATOM 736 CA ALA A 52 -1.717 -11.728 -10.993 1.00 0.00 C ATOM 737 C ALA A 52 -0.202 -11.730 -10.703 1.00 0.00 C ATOM 738 O ALA A 52 0.239 -12.288 -9.700 1.00 0.00 O ATOM 739 CB ALA A 52 -2.072 -12.775 -12.047 1.00 0.00 C ATOM 0 H ALA A 52 -2.751 -10.455 -12.319 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.186 -11.965 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.690 -13.748 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.155 -12.828 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.624 -12.497 -13.001 1.00 0.00 H new ATOM 745 N GLN A 53 0.556 -11.001 -11.526 1.00 0.00 N ATOM 746 CA GLN A 53 1.997 -10.744 -11.316 1.00 0.00 C ATOM 747 C GLN A 53 2.282 -10.135 -9.926 1.00 0.00 C ATOM 748 O GLN A 53 3.175 -10.607 -9.222 1.00 0.00 O ATOM 749 CB GLN A 53 2.466 -9.764 -12.394 1.00 0.00 C ATOM 750 CG GLN A 53 3.931 -9.971 -12.792 1.00 0.00 C ATOM 751 CD GLN A 53 4.087 -10.953 -13.957 1.00 0.00 C ATOM 752 OE1 GLN A 53 3.290 -11.032 -14.884 1.00 0.00 O ATOM 753 NE2 GLN A 53 5.179 -11.680 -13.972 1.00 0.00 N ATOM 0 H GLN A 53 0.188 -10.563 -12.371 1.00 0.00 H new ATOM 0 HA GLN A 53 2.530 -11.693 -11.375 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.836 -9.874 -13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.334 -8.744 -12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.369 -9.012 -13.068 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.490 -10.340 -11.932 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.845 -11.616 -13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.362 -12.309 -14.754 1.00 0.00 H new ATOM 762 N GLY A 54 1.389 -9.226 -9.503 1.00 0.00 N ATOM 763 CA GLY A 54 1.465 -8.516 -8.214 1.00 0.00 C ATOM 764 C GLY A 54 0.770 -7.150 -8.255 1.00 0.00 C ATOM 765 O GLY A 54 -0.218 -6.922 -8.952 1.00 0.00 O ATOM 0 H GLY A 54 0.577 -8.958 -10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.008 -9.129 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.511 -8.380 -7.939 1.00 0.00 H new ATOM 769 N ILE A 55 1.364 -6.231 -7.507 1.00 0.00 N ATOM 770 CA ILE A 55 0.924 -4.835 -7.367 1.00 0.00 C ATOM 771 C ILE A 55 1.974 -3.916 -8.018 1.00 0.00 C ATOM 772 O ILE A 55 3.178 -4.141 -7.945 1.00 0.00 O ATOM 773 CB ILE A 55 0.642 -4.539 -5.874 1.00 0.00 C ATOM 774 CG1 ILE A 55 -0.745 -5.047 -5.451 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.773 -3.063 -5.477 1.00 0.00 C ATOM 776 CD1 ILE A 55 -0.861 -6.561 -5.243 1.00 0.00 C ATOM 0 H ILE A 55 2.198 -6.437 -6.957 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.013 -4.646 -7.891 1.00 0.00 H new ATOM 0 HB ILE A 55 1.425 -5.082 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.028 -4.548 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.469 -4.746 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.558 -2.952 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.788 -2.720 -5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.067 -2.467 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.880 -6.811 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.617 -7.076 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.169 -6.875 -4.462 1.00 0.00 H new ATOM 788 N THR A 56 1.474 -2.932 -8.744 1.00 0.00 N ATOM 789 CA THR A 56 2.302 -1.931 -9.447 1.00 0.00 C ATOM 790 C THR A 56 1.852 -0.522 -9.060 1.00 0.00 C ATOM 791 O THR A 56 0.667 -0.261 -8.861 1.00 0.00 O ATOM 792 CB THR A 56 2.224 -2.175 -10.961 1.00 0.00 C ATOM 793 OG1 THR A 56 2.654 -3.516 -11.190 1.00 0.00 O ATOM 794 CG2 THR A 56 3.100 -1.232 -11.790 1.00 0.00 C ATOM 0 H THR A 56 0.472 -2.792 -8.872 1.00 0.00 H new ATOM 0 HA THR A 56 3.346 -2.029 -9.151 1.00 0.00 H new ATOM 0 HB THR A 56 1.197 -1.992 -11.277 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.521 -3.508 -11.646 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.989 -1.469 -12.848 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.792 -0.201 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.143 -1.354 -11.498 1.00 0.00 H new ATOM 802 N LEU A 57 2.864 0.318 -8.891 1.00 0.00 N ATOM 803 CA LEU A 57 2.732 1.711 -8.437 1.00 0.00 C ATOM 804 C LEU A 57 3.486 2.638 -9.389 1.00 0.00 C ATOM 805 O LEU A 57 4.683 2.469 -9.623 1.00 0.00 O ATOM 806 CB LEU A 57 3.318 1.818 -7.028 1.00 0.00 C ATOM 807 CG LEU A 57 2.557 0.901 -6.070 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.505 0.316 -5.026 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.414 1.674 -5.421 1.00 0.00 C ATOM 0 H LEU A 57 3.832 0.049 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 57 1.682 2.005 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.373 1.545 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.260 2.849 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 57 2.131 0.066 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.947 -0.334 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.284 -0.261 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.961 1.125 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.873 1.019 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.817 2.522 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.734 2.035 -6.193 1.00 0.00 H new ATOM 821 N THR A 58 2.712 3.515 -10.012 1.00 0.00 N ATOM 822 CA THR A 58 3.244 4.517 -10.957 1.00 0.00 C ATOM 823 C THR A 58 2.874 5.944 -10.543 1.00 0.00 C ATOM 824 O THR A 58 1.711 6.246 -10.279 1.00 0.00 O ATOM 825 CB THR A 58 2.839 4.242 -12.417 1.00 0.00 C ATOM 826 OG1 THR A 58 3.398 5.269 -13.243 1.00 0.00 O ATOM 827 CG2 THR A 58 1.330 4.097 -12.648 1.00 0.00 C ATOM 0 H THR A 58 1.701 3.562 -9.885 1.00 0.00 H new ATOM 0 HA THR A 58 4.329 4.423 -10.910 1.00 0.00 H new ATOM 0 HB THR A 58 3.242 3.265 -12.686 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.151 5.108 -14.178 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.140 3.905 -13.704 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.949 3.266 -12.054 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.826 5.017 -12.350 1.00 0.00 H new ATOM 835 N ASP A 59 3.908 6.772 -10.498 1.00 0.00 N ATOM 836 CA ASP A 59 3.784 8.200 -10.165 1.00 0.00 C ATOM 837 C ASP A 59 3.485 9.058 -11.401 1.00 0.00 C ATOM 838 O ASP A 59 4.342 9.245 -12.257 1.00 0.00 O ATOM 839 CB ASP A 59 5.027 8.671 -9.398 1.00 0.00 C ATOM 840 CG ASP A 59 6.397 8.542 -10.077 1.00 0.00 C ATOM 841 OD1 ASP A 59 6.510 7.845 -11.110 1.00 0.00 O ATOM 842 OD2 ASP A 59 7.286 9.240 -9.553 1.00 0.00 O ATOM 0 H ASP A 59 4.866 6.479 -10.691 1.00 0.00 H new ATOM 0 HA ASP A 59 2.923 8.328 -9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.881 9.720 -9.142 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.068 8.117 -8.460 1.00 0.00 H new ATOM 847 N ASN A 60 2.285 9.628 -11.396 1.00 0.00 N ATOM 848 CA ASN A 60 1.819 10.516 -12.484 1.00 0.00 C ATOM 849 C ASN A 60 1.839 12.011 -12.104 1.00 0.00 C ATOM 850 O ASN A 60 1.654 12.886 -12.945 1.00 0.00 O ATOM 851 CB ASN A 60 0.423 10.058 -12.929 1.00 0.00 C ATOM 852 CG ASN A 60 -0.132 10.878 -14.099 1.00 0.00 C ATOM 853 OD1 ASN A 60 0.432 10.969 -15.181 1.00 0.00 O ATOM 854 ND2 ASN A 60 -1.283 11.475 -13.895 1.00 0.00 N ATOM 0 H ASN A 60 1.603 9.496 -10.649 1.00 0.00 H new ATOM 0 HA ASN A 60 2.518 10.431 -13.316 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.466 9.008 -13.217 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.263 10.129 -12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.714 12.020 -14.642 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.746 11.394 -12.990 1.00 0.00 H new ATOM 861 N GLN A 61 2.065 12.286 -10.819 1.00 0.00 N ATOM 862 CA GLN A 61 2.086 13.660 -10.285 1.00 0.00 C ATOM 863 C GLN A 61 3.358 14.424 -10.713 1.00 0.00 C ATOM 864 O GLN A 61 3.266 15.495 -11.305 1.00 0.00 O ATOM 865 CB GLN A 61 1.901 13.597 -8.763 1.00 0.00 C ATOM 866 CG GLN A 61 1.590 14.978 -8.178 1.00 0.00 C ATOM 867 CD GLN A 61 2.727 15.473 -7.286 1.00 0.00 C ATOM 868 OE1 GLN A 61 3.839 15.745 -7.715 1.00 0.00 O ATOM 869 NE2 GLN A 61 2.490 15.496 -5.995 1.00 0.00 N ATOM 0 H GLN A 61 2.239 11.568 -10.115 1.00 0.00 H new ATOM 0 HA GLN A 61 1.261 14.233 -10.707 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.092 12.908 -8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.805 13.200 -8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.424 15.689 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.667 14.931 -7.601 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.560 15.268 -5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.236 15.742 -5.344 1.00 0.00 H new ATOM 983 N ARG A 67 8.453 3.858 -12.236 1.00 0.00 N ATOM 984 CA ARG A 67 7.375 3.142 -11.538 1.00 0.00 C ATOM 985 C ARG A 67 7.935 1.848 -10.920 1.00 0.00 C ATOM 986 O ARG A 67 8.845 1.223 -11.467 1.00 0.00 O ATOM 987 CB ARG A 67 6.233 2.875 -12.529 1.00 0.00 C ATOM 988 CG ARG A 67 6.580 1.952 -13.706 1.00 0.00 C ATOM 989 CD ARG A 67 5.915 0.591 -13.513 1.00 0.00 C ATOM 990 NE ARG A 67 6.909 -0.494 -13.535 1.00 0.00 N ATOM 991 CZ ARG A 67 6.677 -1.762 -13.893 1.00 0.00 C ATOM 992 NH1 ARG A 67 5.480 -2.169 -14.302 1.00 0.00 N ATOM 993 NH2 ARG A 67 7.654 -2.651 -13.864 1.00 0.00 N ATOM 0 HA ARG A 67 6.974 3.742 -10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.396 2.439 -11.983 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.891 3.830 -12.928 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.246 2.400 -14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.661 1.831 -13.778 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.378 0.577 -12.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.178 0.429 -14.299 1.00 0.00 H new ATOM 0 HE ARG A 67 7.860 -0.258 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.705 -1.507 -14.350 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.336 -3.143 -14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.589 -2.372 -13.568 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.473 -3.617 -14.138 1.00 0.00 H new ATOM 1007 N ARG A 68 7.300 1.429 -9.835 1.00 0.00 N ATOM 1008 CA ARG A 68 7.667 0.187 -9.126 1.00 0.00 C ATOM 1009 C ARG A 68 6.614 -0.910 -9.316 1.00 0.00 C ATOM 1010 O ARG A 68 5.411 -0.654 -9.326 1.00 0.00 O ATOM 1011 CB ARG A 68 7.871 0.441 -7.628 1.00 0.00 C ATOM 1012 CG ARG A 68 9.349 0.342 -7.236 1.00 0.00 C ATOM 1013 CD ARG A 68 10.133 1.605 -7.616 1.00 0.00 C ATOM 1014 NE ARG A 68 11.569 1.301 -7.741 1.00 0.00 N ATOM 1015 CZ ARG A 68 12.178 0.823 -8.834 1.00 0.00 C ATOM 1016 NH1 ARG A 68 11.521 0.609 -9.967 1.00 0.00 N ATOM 1017 NH2 ARG A 68 13.483 0.606 -8.833 1.00 0.00 N ATOM 0 H ARG A 68 6.518 1.930 -9.414 1.00 0.00 H new ATOM 0 HA ARG A 68 8.606 -0.153 -9.562 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.491 1.430 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.292 -0.282 -7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.428 0.176 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.796 -0.523 -7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.756 2.005 -8.557 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.983 2.375 -6.860 1.00 0.00 H new ATOM 0 HE ARG A 68 12.152 1.470 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.522 0.809 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.015 0.244 -10.782 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.032 0.803 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.940 0.242 -9.669 1.00 0.00 H new ATOM 1031 N HIS A 69 7.121 -2.135 -9.406 1.00 0.00 N ATOM 1032 CA HIS A 69 6.301 -3.358 -9.509 1.00 0.00 C ATOM 1033 C HIS A 69 6.751 -4.338 -8.418 1.00 0.00 C ATOM 1034 O HIS A 69 7.910 -4.744 -8.350 1.00 0.00 O ATOM 1035 CB HIS A 69 6.461 -3.968 -10.906 1.00 0.00 C ATOM 1036 CG HIS A 69 5.504 -5.154 -11.217 1.00 0.00 C ATOM 1037 ND1 HIS A 69 4.669 -5.196 -12.221 1.00 0.00 N ATOM 1038 CD2 HIS A 69 5.413 -6.291 -10.540 1.00 0.00 C ATOM 1039 CE1 HIS A 69 4.026 -6.375 -12.173 1.00 0.00 C ATOM 1040 NE2 HIS A 69 4.487 -7.047 -11.128 1.00 0.00 N ATOM 0 H HIS A 69 8.124 -2.319 -9.410 1.00 0.00 H new ATOM 0 HA HIS A 69 5.246 -3.127 -9.365 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.300 -3.186 -11.648 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.489 -4.310 -11.021 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.988 -6.557 -9.666 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.268 -6.715 -12.863 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.187 -7.975 -10.828 1.00 0.00 H new ATOM 1048 N TYR A 70 5.771 -4.735 -7.621 1.00 0.00 N ATOM 1049 CA TYR A 70 5.899 -5.702 -6.521 1.00 0.00 C ATOM 1050 C TYR A 70 5.124 -6.989 -6.862 1.00 0.00 C ATOM 1051 O TYR A 70 3.913 -6.911 -7.034 1.00 0.00 O ATOM 1052 CB TYR A 70 5.307 -5.089 -5.252 1.00 0.00 C ATOM 1053 CG TYR A 70 6.282 -4.104 -4.612 1.00 0.00 C ATOM 1054 CD1 TYR A 70 6.369 -2.788 -5.052 1.00 0.00 C ATOM 1055 CD2 TYR A 70 7.106 -4.564 -3.597 1.00 0.00 C ATOM 1056 CE1 TYR A 70 7.285 -1.928 -4.462 1.00 0.00 C ATOM 1057 CE2 TYR A 70 8.027 -3.709 -3.012 1.00 0.00 C ATOM 1058 CZ TYR A 70 8.101 -2.386 -3.432 1.00 0.00 C ATOM 1059 OH TYR A 70 8.791 -1.505 -2.668 1.00 0.00 O ATOM 0 H TYR A 70 4.819 -4.381 -7.721 1.00 0.00 H new ATOM 0 HA TYR A 70 6.951 -5.942 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.374 -4.579 -5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.064 -5.879 -4.541 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.728 -2.437 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.031 -5.588 -3.262 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.364 -0.906 -4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.684 -4.069 -2.234 1.00 0.00 H new ATOM 0 HH TYR A 70 8.179 -1.067 -2.040 1.00 0.00 H new ATOM 1069 N PRO A 71 5.799 -8.134 -6.982 1.00 0.00 N ATOM 1070 CA PRO A 71 5.123 -9.423 -7.246 1.00 0.00 C ATOM 1071 C PRO A 71 4.236 -9.878 -6.076 1.00 0.00 C ATOM 1072 O PRO A 71 4.470 -9.507 -4.927 1.00 0.00 O ATOM 1073 CB PRO A 71 6.254 -10.405 -7.552 1.00 0.00 C ATOM 1074 CG PRO A 71 7.454 -9.829 -6.801 1.00 0.00 C ATOM 1075 CD PRO A 71 7.259 -8.313 -6.891 1.00 0.00 C ATOM 0 HA PRO A 71 4.425 -9.348 -8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.013 -11.411 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.447 -10.471 -8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.476 -10.167 -5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.395 -10.138 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.667 -7.808 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.765 -7.899 -7.763 1.00 0.00 H new ATOM 1083 N LEU A 72 3.241 -10.705 -6.384 1.00 0.00 N ATOM 1084 CA LEU A 72 2.355 -11.317 -5.363 1.00 0.00 C ATOM 1085 C LEU A 72 3.093 -12.286 -4.414 1.00 0.00 C ATOM 1086 O LEU A 72 2.719 -12.422 -3.253 1.00 0.00 O ATOM 1087 CB LEU A 72 1.135 -11.953 -6.044 1.00 0.00 C ATOM 1088 CG LEU A 72 0.082 -12.447 -5.043 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -1.300 -11.875 -5.373 1.00 0.00 C ATOM 1090 CD2 LEU A 72 0.033 -13.977 -5.045 1.00 0.00 C ATOM 0 H LEU A 72 3.016 -10.977 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 72 2.000 -10.521 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.678 -11.224 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.464 -12.790 -6.660 1.00 0.00 H new ATOM 0 HG LEU A 72 0.366 -12.099 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.028 -12.241 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.263 -10.786 -5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.595 -12.190 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.717 -14.318 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.227 -14.331 -6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.009 -14.373 -4.763 1.00 0.00 H new ATOM 1102 N ASN A 73 4.290 -12.703 -4.833 1.00 0.00 N ATOM 1103 CA ASN A 73 5.217 -13.541 -4.040 1.00 0.00 C ATOM 1104 C ASN A 73 5.991 -12.772 -2.951 1.00 0.00 C ATOM 1105 O ASN A 73 6.988 -13.254 -2.418 1.00 0.00 O ATOM 1106 CB ASN A 73 6.212 -14.216 -4.992 1.00 0.00 C ATOM 1107 CG ASN A 73 5.633 -15.472 -5.639 1.00 0.00 C ATOM 1108 OD1 ASN A 73 5.036 -16.333 -5.010 1.00 0.00 O ATOM 1109 ND2 ASN A 73 5.893 -15.654 -6.912 1.00 0.00 N ATOM 0 H ASN A 73 4.658 -12.466 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 73 4.603 -14.272 -3.513 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.503 -13.510 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.117 -14.477 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.597 -16.513 -7.375 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.391 -14.936 -7.438 1.00 0.00 H new ATOM 1116 N THR A 74 5.562 -11.534 -2.718 1.00 0.00 N ATOM 1117 CA THR A 74 6.177 -10.632 -1.722 1.00 0.00 C ATOM 1118 C THR A 74 5.117 -10.066 -0.779 1.00 0.00 C ATOM 1119 O THR A 74 5.242 -10.238 0.429 1.00 0.00 O ATOM 1120 CB THR A 74 7.027 -9.486 -2.308 1.00 0.00 C ATOM 1121 OG1 THR A 74 6.231 -8.504 -2.982 1.00 0.00 O ATOM 1122 CG2 THR A 74 8.133 -10.007 -3.224 1.00 0.00 C ATOM 0 H THR A 74 4.774 -11.117 -3.213 1.00 0.00 H new ATOM 0 HA THR A 74 6.878 -11.263 -1.175 1.00 0.00 H new ATOM 0 HB THR A 74 7.499 -8.995 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.653 -8.946 -3.639 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.707 -9.167 -3.615 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.793 -10.666 -2.660 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.689 -10.560 -4.052 1.00 0.00 H new ATOM 1130 N VAL A 75 4.077 -9.456 -1.347 1.00 0.00 N ATOM 1131 CA VAL A 75 2.943 -8.862 -0.611 1.00 0.00 C ATOM 1132 C VAL A 75 2.110 -10.005 0.005 1.00 0.00 C ATOM 1133 O VAL A 75 1.156 -10.478 -0.593 1.00 0.00 O ATOM 1134 CB VAL A 75 2.140 -7.959 -1.578 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.877 -7.365 -0.944 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.997 -6.802 -2.104 1.00 0.00 C ATOM 0 H VAL A 75 3.990 -9.355 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 75 3.273 -8.227 0.211 1.00 0.00 H new ATOM 0 HB VAL A 75 1.841 -8.616 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.361 -6.743 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.217 -8.171 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.154 -6.758 -0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.403 -6.187 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.340 -6.193 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.859 -7.201 -2.639 1.00 0.00 H new ATOM 1146 N THR A 76 2.633 -10.549 1.096 1.00 0.00 N ATOM 1147 CA THR A 76 2.027 -11.652 1.876 1.00 0.00 C ATOM 1148 C THR A 76 0.781 -11.184 2.640 1.00 0.00 C ATOM 1149 O THR A 76 -0.210 -11.897 2.769 1.00 0.00 O ATOM 1150 CB THR A 76 3.034 -12.251 2.873 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.553 -11.245 3.757 1.00 0.00 O ATOM 1152 CG2 THR A 76 4.172 -12.984 2.156 1.00 0.00 C ATOM 0 H THR A 76 3.521 -10.233 1.486 1.00 0.00 H new ATOM 0 HA THR A 76 1.735 -12.418 1.158 1.00 0.00 H new ATOM 0 HB THR A 76 2.495 -12.984 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.189 -11.654 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.863 -13.393 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.761 -13.795 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.704 -12.286 1.509 1.00 0.00 H new ATOM 1160 N PHE A 77 0.922 -9.992 3.207 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.132 -9.304 3.968 1.00 0.00 C ATOM 1162 C PHE A 77 -0.347 -7.900 3.397 1.00 0.00 C ATOM 1163 O PHE A 77 0.618 -7.153 3.257 1.00 0.00 O ATOM 1164 CB PHE A 77 0.347 -9.177 5.413 1.00 0.00 C ATOM 1165 CG PHE A 77 -0.719 -9.671 6.382 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -1.766 -8.837 6.753 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -0.642 -10.968 6.869 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.731 -9.299 7.639 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -1.611 -11.430 7.749 1.00 0.00 C ATOM 1170 CZ PHE A 77 -2.652 -10.595 8.137 1.00 0.00 C ATOM 0 H PHE A 77 1.790 -9.459 3.153 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.066 -9.863 3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.263 -9.752 5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.589 -8.137 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.829 -7.835 6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.168 -11.615 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.542 -8.652 7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.556 -12.438 8.132 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.401 -10.954 8.827 1.00 0.00 H new ATOM 1180 N CYS A 78 -1.600 -7.558 3.122 1.00 0.00 N ATOM 1181 CA CYS A 78 -1.966 -6.196 2.685 1.00 0.00 C ATOM 1182 C CYS A 78 -3.280 -5.749 3.337 1.00 0.00 C ATOM 1183 O CYS A 78 -4.377 -6.105 2.912 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.044 -6.113 1.159 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.145 -4.392 0.541 1.00 0.00 S ATOM 0 H CYS A 78 -2.389 -8.200 3.191 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.183 -5.512 3.012 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -1.167 -6.597 0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.916 -6.669 0.814 1.00 0.00 H new ATOM 0 HG CYS A 78 -1.525 -3.599 1.363 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.106 -5.081 4.470 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.235 -4.602 5.289 1.00 0.00 C ATOM 1193 C ASP A 79 -4.020 -3.140 5.720 1.00 0.00 C ATOM 1194 O ASP A 79 -2.957 -2.563 5.495 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.425 -5.554 6.478 1.00 0.00 C ATOM 1196 CG ASP A 79 -5.880 -5.581 6.956 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -6.670 -6.328 6.342 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -6.195 -4.768 7.850 1.00 0.00 O ATOM 0 H ASP A 79 -2.189 -4.852 4.853 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.154 -4.608 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.117 -6.560 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.778 -5.245 7.299 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.103 -2.491 6.141 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.025 -1.146 6.745 1.00 0.00 C ATOM 1205 C LEU A 80 -4.471 -1.215 8.168 1.00 0.00 C ATOM 1206 O LEU A 80 -4.438 -2.276 8.790 1.00 0.00 O ATOM 1207 CB LEU A 80 -6.386 -0.464 6.850 1.00 0.00 C ATOM 1208 CG LEU A 80 -6.895 0.041 5.512 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.981 -0.904 5.020 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.446 1.450 5.689 1.00 0.00 C ATOM 0 H LEU A 80 -6.049 -2.867 6.079 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.373 -0.576 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.108 -1.166 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.316 0.372 7.546 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.089 0.072 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.358 -0.556 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.567 -1.906 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.797 -0.928 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.814 1.820 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.264 1.433 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.656 2.107 6.052 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.099 -0.049 8.682 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.625 0.037 10.070 1.00 0.00 C ATOM 1224 C ASP A 81 -4.786 -0.192 11.066 1.00 0.00 C ATOM 1225 O ASP A 81 -5.788 0.523 10.998 1.00 0.00 O ATOM 1226 CB ASP A 81 -2.919 1.377 10.294 1.00 0.00 C ATOM 1227 CG ASP A 81 -3.826 2.551 10.671 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -4.792 2.843 9.935 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -3.621 3.026 11.800 1.00 0.00 O ATOM 0 H ASP A 81 -4.113 0.837 8.176 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.899 -0.756 10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.176 1.248 11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.377 1.638 9.385 1.00 0.00 H new ATOM 1234 N PRO A 82 -4.593 -1.063 12.061 1.00 0.00 N ATOM 1235 CA PRO A 82 -5.555 -1.222 13.171 1.00 0.00 C ATOM 1236 C PRO A 82 -5.614 -0.019 14.131 1.00 0.00 C ATOM 1237 O PRO A 82 -6.553 0.095 14.911 1.00 0.00 O ATOM 1238 CB PRO A 82 -5.136 -2.518 13.862 1.00 0.00 C ATOM 1239 CG PRO A 82 -3.633 -2.595 13.597 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.482 -2.025 12.185 1.00 0.00 C ATOM 0 HA PRO A 82 -6.578 -1.268 12.797 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.354 -2.492 14.930 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.661 -3.380 13.450 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.068 -2.014 14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.268 -3.621 13.656 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.516 -1.537 12.054 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.548 -2.809 11.430 1.00 0.00 H new ATOM 1248 N GLN A 83 -4.703 0.942 13.956 1.00 0.00 N ATOM 1249 CA GLN A 83 -4.646 2.174 14.765 1.00 0.00 C ATOM 1250 C GLN A 83 -5.597 3.298 14.316 1.00 0.00 C ATOM 1251 O GLN A 83 -5.505 4.419 14.809 1.00 0.00 O ATOM 1252 CB GLN A 83 -3.196 2.676 14.793 1.00 0.00 C ATOM 1253 CG GLN A 83 -2.448 2.184 16.033 1.00 0.00 C ATOM 1254 CD GLN A 83 -2.943 2.843 17.329 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.996 3.454 17.438 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -2.137 2.775 18.358 1.00 0.00 N ATOM 0 H GLN A 83 -3.975 0.891 13.243 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.996 1.905 15.762 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.677 2.337 13.897 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.188 3.766 14.772 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.561 1.103 16.115 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -1.383 2.385 15.913 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.255 2.269 18.282 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.391 3.228 19.236 1.00 0.00 H new ATOM 1265 N GLU A 84 -6.530 2.969 13.415 1.00 0.00 N ATOM 1266 CA GLU A 84 -7.477 3.913 12.782 1.00 0.00 C ATOM 1267 C GLU A 84 -6.844 5.288 12.491 1.00 0.00 C ATOM 1268 O GLU A 84 -7.195 6.322 13.056 1.00 0.00 O ATOM 1269 CB GLU A 84 -8.767 4.071 13.597 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.642 2.819 13.586 1.00 0.00 C ATOM 1271 CD GLU A 84 -11.023 3.160 14.147 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -11.162 3.138 15.388 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -11.907 3.456 13.312 1.00 0.00 O ATOM 0 H GLU A 84 -6.656 2.010 13.092 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.739 3.468 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.510 4.318 14.627 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.339 4.910 13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.735 2.435 12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.179 2.033 14.182 1.00 0.00 H new ATOM 1280 N ARG A 85 -5.802 5.199 11.681 1.00 0.00 N ATOM 1281 CA ARG A 85 -4.998 6.359 11.270 1.00 0.00 C ATOM 1282 C ARG A 85 -5.220 6.648 9.788 1.00 0.00 C ATOM 1283 O ARG A 85 -5.601 5.788 8.987 1.00 0.00 O ATOM 1284 CB ARG A 85 -3.511 6.121 11.542 1.00 0.00 C ATOM 1285 CG ARG A 85 -3.166 5.961 13.027 1.00 0.00 C ATOM 1286 CD ARG A 85 -3.448 7.224 13.843 1.00 0.00 C ATOM 1287 NE ARG A 85 -3.334 6.903 15.272 1.00 0.00 N ATOM 1288 CZ ARG A 85 -3.716 7.678 16.290 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -4.360 8.822 16.096 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -3.565 7.254 17.531 1.00 0.00 N ATOM 0 H ARG A 85 -5.480 4.317 11.282 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.317 7.221 11.856 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.193 5.226 11.007 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.940 6.955 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.740 5.132 13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.112 5.700 13.124 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.742 8.011 13.576 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.446 7.602 13.620 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.923 6.000 15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.576 9.131 15.148 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.639 9.392 16.895 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.157 6.336 17.710 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.856 7.844 18.310 1.00 0.00 H new ATOM 1304 N LYS A 86 -5.089 7.930 9.500 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.327 8.494 8.166 1.00 0.00 C ATOM 1306 C LYS A 86 -4.214 9.488 7.820 1.00 0.00 C ATOM 1307 O LYS A 86 -3.575 10.058 8.701 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.699 9.177 8.166 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.860 8.169 8.201 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.864 8.432 9.329 1.00 0.00 C ATOM 1311 CE LYS A 86 -8.364 7.913 10.675 1.00 0.00 C ATOM 1312 NZ LYS A 86 -9.132 8.424 11.818 1.00 0.00 N ATOM 0 H LYS A 86 -4.810 8.627 10.191 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.320 7.708 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.771 9.839 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.791 9.801 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.384 8.197 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.455 7.163 8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.055 9.503 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.814 7.955 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.407 6.824 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.317 8.190 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.809 7.957 12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.989 9.451 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.143 8.226 11.673 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.929 9.547 6.529 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.978 10.519 5.967 1.00 0.00 C ATOM 1328 C TRP A 87 -3.745 11.416 4.982 1.00 0.00 C ATOM 1329 O TRP A 87 -4.925 11.698 5.204 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.823 9.749 5.324 1.00 0.00 C ATOM 1331 CG TRP A 87 -0.494 10.523 5.284 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -0.255 11.824 5.071 1.00 0.00 C ATOM 1333 CD2 TRP A 87 0.721 9.904 5.433 1.00 0.00 C ATOM 1334 NE1 TRP A 87 1.067 12.029 5.066 1.00 0.00 N ATOM 1335 CE2 TRP A 87 1.693 10.891 5.278 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.075 8.597 5.721 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 3.032 10.565 5.403 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 2.420 8.275 5.849 1.00 0.00 C ATOM 1339 CH2 TRP A 87 3.384 9.252 5.705 1.00 0.00 C ATOM 0 H TRP A 87 -4.345 8.927 5.834 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.542 11.168 6.726 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -1.672 8.818 5.871 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -2.104 9.478 4.306 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.008 12.585 4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 87 1.521 12.931 4.920 1.00 0.00 H new ATOM 0 HE3 TRP A 87 0.316 7.839 5.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.794 11.319 5.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 2.712 7.257 6.062 1.00 0.00 H new ATOM 0 HH2 TRP A 87 4.426 8.995 5.828 1.00 0.00 H new ATOM 1437 N PRO A 95 -10.124 13.067 6.342 1.00 0.00 N ATOM 1438 CA PRO A 95 -9.058 12.089 6.624 1.00 0.00 C ATOM 1439 C PRO A 95 -9.039 10.989 5.552 1.00 0.00 C ATOM 1440 O PRO A 95 -10.083 10.531 5.089 1.00 0.00 O ATOM 1441 CB PRO A 95 -9.413 11.593 8.023 1.00 0.00 C ATOM 1442 CG PRO A 95 -10.938 11.621 8.050 1.00 0.00 C ATOM 1443 CD PRO A 95 -11.259 12.899 7.276 1.00 0.00 C ATOM 0 HA PRO A 95 -8.046 12.494 6.595 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.029 10.588 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.988 12.236 8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.369 10.740 7.575 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.325 11.655 9.068 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.204 12.810 6.739 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.351 13.755 7.945 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.836 10.572 5.170 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.684 9.531 4.136 1.00 0.00 C ATOM 1453 C ALA A 96 -6.983 8.281 4.658 1.00 0.00 C ATOM 1454 O ALA A 96 -5.779 8.257 4.919 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.980 10.084 2.902 1.00 0.00 C ATOM 0 H ALA A 96 -6.958 10.927 5.549 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.690 9.225 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.881 9.296 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.564 10.905 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.990 10.447 3.180 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.822 7.274 4.881 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.410 5.954 5.391 1.00 0.00 C ATOM 1463 C LYS A 97 -6.164 5.410 4.686 1.00 0.00 C ATOM 1464 O LYS A 97 -6.054 5.420 3.459 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.574 4.975 5.244 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.182 4.653 6.609 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.490 3.881 6.432 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.067 3.414 7.770 1.00 0.00 C ATOM 1469 NZ LYS A 97 -10.409 2.195 8.265 1.00 0.00 N ATOM 0 H LYS A 97 -8.825 7.345 4.712 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.145 6.071 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.336 5.403 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.227 4.057 4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.480 4.064 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.366 5.575 7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.218 4.514 5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.317 3.017 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.958 4.209 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.135 3.228 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.832 1.916 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.535 1.428 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.394 2.378 8.398 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.241 4.974 5.526 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.932 4.481 5.071 1.00 0.00 C ATOM 1485 C LEU A 98 -3.787 2.967 5.260 1.00 0.00 C ATOM 1486 O LEU A 98 -4.308 2.359 6.198 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.783 5.296 5.696 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.964 5.685 7.170 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.979 4.459 8.066 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -1.856 6.630 7.630 1.00 0.00 C ATOM 0 H LEU A 98 -5.367 4.948 6.538 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.868 4.640 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.862 4.721 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.650 6.207 5.113 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.924 6.194 7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.109 4.768 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.803 3.807 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.037 3.921 7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.010 6.889 8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.889 6.140 7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.877 7.537 7.026 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.151 2.383 4.260 1.00 0.00 N ATOM 1503 CA PHE A 99 -2.963 0.933 4.162 1.00 0.00 C ATOM 1504 C PHE A 99 -1.510 0.607 3.795 1.00 0.00 C ATOM 1505 O PHE A 99 -0.850 1.348 3.065 1.00 0.00 O ATOM 1506 CB PHE A 99 -3.974 0.356 3.161 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.583 0.513 1.689 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -3.848 1.678 0.979 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -2.940 -0.554 1.078 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -3.475 1.760 -0.356 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.551 -0.463 -0.251 1.00 0.00 C ATOM 1512 CZ PHE A 99 -2.825 0.695 -0.967 1.00 0.00 C ATOM 0 H PHE A 99 -2.744 2.901 3.481 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.151 0.463 5.127 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.111 -0.704 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.938 0.840 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.339 2.511 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.742 -1.456 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.691 2.655 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.039 -1.287 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.531 0.768 -2.004 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.061 -0.494 4.395 1.00 0.00 N ATOM 1523 CA GLY A 100 0.302 -1.006 4.201 1.00 0.00 C ATOM 1524 C GLY A 100 0.305 -2.502 3.888 1.00 0.00 C ATOM 1525 O GLY A 100 -0.569 -3.260 4.317 1.00 0.00 O ATOM 0 H GLY A 100 -1.627 -1.058 5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.782 -0.463 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.891 -0.821 5.099 1.00 0.00 H new ATOM 1529 N PHE A 101 1.335 -2.887 3.156 1.00 0.00 N ATOM 1530 CA PHE A 101 1.599 -4.307 2.875 1.00 0.00 C ATOM 1531 C PHE A 101 3.000 -4.733 3.317 1.00 0.00 C ATOM 1532 O PHE A 101 3.941 -3.940 3.335 1.00 0.00 O ATOM 1533 CB PHE A 101 1.364 -4.662 1.402 1.00 0.00 C ATOM 1534 CG PHE A 101 2.238 -3.894 0.414 1.00 0.00 C ATOM 1535 CD1 PHE A 101 3.597 -4.170 0.313 1.00 0.00 C ATOM 1536 CD2 PHE A 101 1.647 -2.946 -0.405 1.00 0.00 C ATOM 1537 CE1 PHE A 101 4.379 -3.466 -0.587 1.00 0.00 C ATOM 1538 CE2 PHE A 101 2.426 -2.262 -1.327 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.792 -2.512 -1.410 1.00 0.00 C ATOM 0 H PHE A 101 2.009 -2.244 2.740 1.00 0.00 H new ATOM 0 HA PHE A 101 0.878 -4.869 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.539 -5.729 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.317 -4.477 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.042 -4.932 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.590 -2.741 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.440 -3.657 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.971 -1.534 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.398 -1.963 -2.116 1.00 0.00 H new ATOM 1549 N VAL A 102 3.103 -6.035 3.522 1.00 0.00 N ATOM 1550 CA VAL A 102 4.343 -6.724 3.914 1.00 0.00 C ATOM 1551 C VAL A 102 4.884 -7.462 2.681 1.00 0.00 C ATOM 1552 O VAL A 102 4.301 -8.448 2.237 1.00 0.00 O ATOM 1553 CB VAL A 102 4.047 -7.699 5.064 1.00 0.00 C ATOM 1554 CG1 VAL A 102 5.290 -8.513 5.446 1.00 0.00 C ATOM 1555 CG2 VAL A 102 3.483 -6.957 6.281 1.00 0.00 C ATOM 0 H VAL A 102 2.310 -6.669 3.420 1.00 0.00 H new ATOM 0 HA VAL A 102 5.092 -6.014 4.266 1.00 0.00 H new ATOM 0 HB VAL A 102 3.290 -8.400 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.044 -9.192 6.262 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.627 -9.089 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.084 -7.837 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.282 -7.670 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.208 -6.220 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.557 -6.453 6.003 1.00 0.00 H new ATOM 1565 N ALA A 103 6.006 -6.953 2.194 1.00 0.00 N ATOM 1566 CA ALA A 103 6.741 -7.534 1.057 1.00 0.00 C ATOM 1567 C ALA A 103 7.899 -8.417 1.543 1.00 0.00 C ATOM 1568 O ALA A 103 8.864 -7.939 2.142 1.00 0.00 O ATOM 1569 CB ALA A 103 7.233 -6.422 0.128 1.00 0.00 C ATOM 0 H ALA A 103 6.445 -6.115 2.575 1.00 0.00 H new ATOM 0 HA ALA A 103 6.064 -8.175 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.775 -6.861 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.380 -5.858 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.895 -5.754 0.679 1.00 0.00 H new ATOM 1575 N ARG A 104 7.631 -9.717 1.452 1.00 0.00 N ATOM 1576 CA ARG A 104 8.544 -10.823 1.774 1.00 0.00 C ATOM 1577 C ARG A 104 9.060 -11.455 0.470 1.00 0.00 C ATOM 1578 O ARG A 104 8.437 -12.320 -0.141 1.00 0.00 O ATOM 1579 CB ARG A 104 7.795 -11.844 2.646 1.00 0.00 C ATOM 1580 CG ARG A 104 8.705 -12.957 3.175 1.00 0.00 C ATOM 1581 CD ARG A 104 8.521 -14.273 2.413 1.00 0.00 C ATOM 1582 NE ARG A 104 7.685 -15.195 3.200 1.00 0.00 N ATOM 1583 CZ ARG A 104 7.246 -16.398 2.817 1.00 0.00 C ATOM 1584 NH1 ARG A 104 7.558 -16.926 1.641 1.00 0.00 N ATOM 1585 NH2 ARG A 104 6.517 -17.123 3.648 1.00 0.00 N ATOM 0 H ARG A 104 6.721 -10.051 1.134 1.00 0.00 H new ATOM 0 HA ARG A 104 9.408 -10.463 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.335 -11.327 3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.987 -12.288 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.745 -12.639 3.100 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.497 -13.120 4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 104 8.056 -14.082 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.492 -14.727 2.215 1.00 0.00 H new ATOM 0 HE ARG A 104 7.413 -14.884 4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 104 8.153 -16.411 0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.203 -17.847 1.385 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.292 -16.764 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.179 -18.042 3.361 1.00 0.00 H new ATOM 1684 N ASP A 111 14.360 -9.871 6.285 1.00 0.00 N ATOM 1685 CA ASP A 111 14.235 -8.406 6.165 1.00 0.00 C ATOM 1686 C ASP A 111 13.117 -8.056 5.174 1.00 0.00 C ATOM 1687 O ASP A 111 13.304 -8.125 3.963 1.00 0.00 O ATOM 1688 CB ASP A 111 15.564 -7.785 5.707 1.00 0.00 C ATOM 1689 CG ASP A 111 16.713 -7.973 6.705 1.00 0.00 C ATOM 1690 OD1 ASP A 111 17.322 -9.064 6.667 1.00 0.00 O ATOM 1691 OD2 ASP A 111 16.989 -6.991 7.425 1.00 0.00 O ATOM 0 HA ASP A 111 13.984 -7.997 7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.850 -8.225 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 111 15.416 -6.719 5.535 1.00 0.00 H new ATOM 1696 N ASN A 112 11.928 -7.858 5.726 1.00 0.00 N ATOM 1697 CA ASN A 112 10.765 -7.450 4.918 1.00 0.00 C ATOM 1698 C ASN A 112 10.522 -5.945 5.000 1.00 0.00 C ATOM 1699 O ASN A 112 10.827 -5.284 6.000 1.00 0.00 O ATOM 1700 CB ASN A 112 9.486 -8.182 5.336 1.00 0.00 C ATOM 1701 CG ASN A 112 9.447 -9.676 5.015 1.00 0.00 C ATOM 1702 OD1 ASN A 112 10.347 -10.273 4.440 1.00 0.00 O ATOM 1703 ND2 ASN A 112 8.394 -10.319 5.465 1.00 0.00 N ATOM 0 H ASN A 112 11.734 -7.970 6.721 1.00 0.00 H new ATOM 0 HA ASN A 112 11.006 -7.721 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 112 9.351 -8.055 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 112 8.638 -7.701 4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.319 -11.328 5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.651 -9.809 5.943 1.00 0.00 H new ATOM 1710 N VAL A 113 9.879 -5.469 3.942 1.00 0.00 N ATOM 1711 CA VAL A 113 9.516 -4.054 3.815 1.00 0.00 C ATOM 1712 C VAL A 113 7.985 -3.886 3.849 1.00 0.00 C ATOM 1713 O VAL A 113 7.233 -4.725 3.356 1.00 0.00 O ATOM 1714 CB VAL A 113 10.235 -3.485 2.577 1.00 0.00 C ATOM 1715 CG1 VAL A 113 9.399 -3.307 1.302 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.978 -2.212 2.978 1.00 0.00 C ATOM 0 H VAL A 113 9.594 -6.044 3.150 1.00 0.00 H new ATOM 0 HA VAL A 113 9.857 -3.460 4.663 1.00 0.00 H new ATOM 0 HB VAL A 113 10.935 -4.259 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.027 -2.899 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.002 -4.273 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.574 -2.622 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.491 -1.801 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.266 -1.480 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.708 -2.446 3.753 1.00 0.00 H new ATOM 1726 N CYS A 114 7.590 -2.831 4.536 1.00 0.00 N ATOM 1727 CA CYS A 114 6.179 -2.427 4.650 1.00 0.00 C ATOM 1728 C CYS A 114 5.979 -1.016 4.095 1.00 0.00 C ATOM 1729 O CYS A 114 6.594 -0.063 4.567 1.00 0.00 O ATOM 1730 CB CYS A 114 5.694 -2.583 6.093 1.00 0.00 C ATOM 1731 SG CYS A 114 6.943 -2.129 7.354 1.00 0.00 S ATOM 0 H CYS A 114 8.233 -2.219 5.038 1.00 0.00 H new ATOM 0 HA CYS A 114 5.561 -3.088 4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.808 -1.965 6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.391 -3.618 6.253 1.00 0.00 H new ATOM 0 HG CYS A 114 7.890 -1.435 6.796 1.00 0.00 H new ATOM 1737 N HIS A 115 5.450 -1.028 2.874 1.00 0.00 N ATOM 1738 CA HIS A 115 5.139 0.198 2.114 1.00 0.00 C ATOM 1739 C HIS A 115 3.808 0.781 2.603 1.00 0.00 C ATOM 1740 O HIS A 115 2.881 0.030 2.907 1.00 0.00 O ATOM 1741 CB HIS A 115 5.000 -0.144 0.637 1.00 0.00 C ATOM 1742 CG HIS A 115 5.895 0.726 -0.284 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.873 0.266 -1.014 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.840 2.042 -0.395 1.00 0.00 C ATOM 1745 CE1 HIS A 115 7.485 1.320 -1.591 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.847 2.407 -1.195 1.00 0.00 N ATOM 0 H HIS A 115 5.221 -1.887 2.375 1.00 0.00 H new ATOM 0 HA HIS A 115 5.941 0.921 2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.252 -1.194 0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.958 -0.022 0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.119 2.697 0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 115 8.337 1.283 -2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 115 7.083 3.364 -1.456 1.00 0.00 H new ATOM 1754 N LEU A 116 3.765 2.104 2.677 1.00 0.00 N ATOM 1755 CA LEU A 116 2.557 2.813 3.136 1.00 0.00 C ATOM 1756 C LEU A 116 1.941 3.677 2.043 1.00 0.00 C ATOM 1757 O LEU A 116 2.629 4.233 1.185 1.00 0.00 O ATOM 1758 CB LEU A 116 2.808 3.664 4.392 1.00 0.00 C ATOM 1759 CG LEU A 116 3.257 2.890 5.641 1.00 0.00 C ATOM 1760 CD1 LEU A 116 2.362 1.682 5.938 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.734 2.500 5.544 1.00 0.00 C ATOM 0 H LEU A 116 4.544 2.714 2.429 1.00 0.00 H new ATOM 0 HA LEU A 116 1.847 2.028 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.567 4.411 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.892 4.205 4.631 1.00 0.00 H new ATOM 0 HG LEU A 116 3.146 3.562 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.724 1.171 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.339 2.019 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.386 0.995 5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.026 1.953 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.887 1.869 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.343 3.400 5.453 1.00 0.00 H new ATOM 1773 N PHE A 117 0.616 3.634 2.065 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.235 4.329 1.089 1.00 0.00 C ATOM 1775 C PHE A 117 -1.496 4.886 1.744 1.00 0.00 C ATOM 1776 O PHE A 117 -2.116 4.227 2.575 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.651 3.335 0.005 1.00 0.00 C ATOM 1778 CG PHE A 117 0.537 2.854 -0.821 1.00 0.00 C ATOM 1779 CD1 PHE A 117 1.077 3.734 -1.742 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.135 1.621 -0.590 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.216 3.388 -2.446 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.284 1.281 -1.293 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.828 2.167 -2.212 1.00 0.00 C ATOM 0 H PHE A 117 0.089 3.112 2.765 1.00 0.00 H new ATOM 0 HA PHE A 117 0.333 5.159 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.140 2.478 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.383 3.803 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.609 4.692 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.711 0.935 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.628 4.068 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.755 0.324 -1.124 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.730 1.905 -2.746 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.906 6.051 1.268 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.170 6.673 1.703 1.00 0.00 C ATOM 1795 C ALA A 118 -4.187 6.680 0.558 1.00 0.00 C ATOM 1796 O ALA A 118 -3.843 6.910 -0.601 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.893 8.097 2.184 1.00 0.00 C ATOM 0 H ALA A 118 -1.388 6.595 0.578 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.592 6.093 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.826 8.560 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.194 8.069 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.462 8.679 1.369 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.428 6.332 0.884 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.521 6.298 -0.107 1.00 0.00 C ATOM 1805 C GLU A 119 -6.787 7.687 -0.709 1.00 0.00 C ATOM 1806 O GLU A 119 -6.962 8.657 0.024 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.788 5.674 0.498 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.528 6.467 1.588 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.567 7.443 1.022 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -10.287 7.022 0.087 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.703 8.527 1.623 1.00 0.00 O ATOM 0 H GLU A 119 -5.712 6.067 1.827 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.206 5.660 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.490 5.487 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.517 4.704 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.024 5.769 2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.802 7.023 2.181 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.678 7.765 -2.030 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.954 9.023 -2.754 1.00 0.00 C ATOM 1820 C LEU A 120 -7.857 8.790 -3.976 1.00 0.00 C ATOM 1821 O LEU A 120 -7.603 9.207 -5.103 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.621 9.710 -3.082 1.00 0.00 C ATOM 1823 CG LEU A 120 -5.780 11.234 -3.153 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -4.545 11.893 -2.554 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -5.920 11.732 -4.593 1.00 0.00 C ATOM 0 H LEU A 120 -6.403 6.985 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.525 9.702 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.882 9.455 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -5.242 9.337 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.684 11.492 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.652 12.977 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.436 11.584 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.662 11.590 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -6.030 12.816 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.031 11.457 -5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.799 11.278 -5.051 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.925 8.038 -3.732 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.925 7.766 -4.770 1.00 0.00 C ATOM 1839 C ASP A 121 -11.326 8.239 -4.362 1.00 0.00 C ATOM 1840 O ASP A 121 -11.834 7.748 -3.354 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.962 6.274 -5.089 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.355 5.910 -6.442 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -9.379 6.760 -7.356 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -8.944 4.737 -6.571 1.00 0.00 O ATOM 0 H ASP A 121 -9.124 7.606 -2.830 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.628 8.327 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.430 5.733 -4.307 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.997 5.934 -5.064 1.00 0.00 H new ATOM 1849 N PRO A 122 -12.009 8.962 -5.263 1.00 0.00 N ATOM 1850 CA PRO A 122 -13.407 9.392 -5.058 1.00 0.00 C ATOM 1851 C PRO A 122 -14.429 8.239 -5.064 1.00 0.00 C ATOM 1852 O PRO A 122 -15.617 8.466 -4.856 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.666 10.395 -6.186 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.768 9.896 -7.317 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.515 9.418 -6.581 1.00 0.00 C ATOM 0 HA PRO A 122 -13.536 9.826 -4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.715 10.406 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -13.409 11.411 -5.887 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.238 9.089 -7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.539 10.689 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.022 8.610 -7.121 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.786 10.222 -6.475 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.950 7.013 -5.299 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.776 5.791 -5.349 1.00 0.00 C ATOM 1865 C ASP A 123 -13.937 4.498 -5.231 1.00 0.00 C ATOM 1866 O ASP A 123 -14.142 3.550 -5.982 1.00 0.00 O ATOM 1867 CB ASP A 123 -15.611 5.827 -6.644 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.894 4.994 -6.559 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.482 4.948 -5.455 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -17.298 4.481 -7.623 1.00 0.00 O ATOM 0 H ASP A 123 -12.959 6.833 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.440 5.773 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.871 6.861 -6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -15.002 5.462 -7.471 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.969 4.512 -4.310 1.00 0.00 N ATOM 1876 CA GLN A 124 -12.104 3.357 -3.957 1.00 0.00 C ATOM 1877 C GLN A 124 -11.284 3.676 -2.683 1.00 0.00 C ATOM 1878 O GLN A 124 -10.161 4.179 -2.766 1.00 0.00 O ATOM 1879 CB GLN A 124 -11.130 2.970 -5.083 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.284 1.544 -5.618 1.00 0.00 C ATOM 1881 CD GLN A 124 -12.304 1.458 -6.755 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -13.337 0.813 -6.652 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -11.985 2.023 -7.902 1.00 0.00 N ATOM 0 H GLN A 124 -12.750 5.347 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.773 2.513 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.261 3.667 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.110 3.096 -4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -10.318 1.185 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.592 0.885 -4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.122 2.560 -7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.601 1.923 -8.709 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.893 3.524 -1.499 1.00 0.00 N ATOM 1893 CA PRO A 125 -11.186 3.701 -0.216 1.00 0.00 C ATOM 1894 C PRO A 125 -10.175 2.574 0.019 1.00 0.00 C ATOM 1895 O PRO A 125 -10.309 1.476 -0.521 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.287 3.731 0.844 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.404 2.893 0.225 1.00 0.00 C ATOM 1898 CD PRO A 125 -13.321 3.227 -1.266 1.00 0.00 C ATOM 0 HA PRO A 125 -10.595 4.617 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.945 3.309 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.617 4.749 1.051 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.254 1.829 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.378 3.153 0.640 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.658 2.391 -1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.950 4.081 -1.517 1.00 0.00 H new ATOM 1906 N ALA A 126 -9.243 2.827 0.934 1.00 0.00 N ATOM 1907 CA ALA A 126 -8.183 1.860 1.280 1.00 0.00 C ATOM 1908 C ALA A 126 -8.750 0.528 1.804 1.00 0.00 C ATOM 1909 O ALA A 126 -8.286 -0.524 1.388 1.00 0.00 O ATOM 1910 CB ALA A 126 -7.205 2.481 2.277 1.00 0.00 C ATOM 0 H ALA A 126 -9.193 3.700 1.459 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.643 1.623 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.428 1.757 2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.748 3.367 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.740 2.763 3.184 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.851 0.594 2.558 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.640 -0.594 2.954 1.00 0.00 C ATOM 1918 C ALA A 127 -11.122 -1.450 1.771 1.00 0.00 C ATOM 1919 O ALA A 127 -10.733 -2.610 1.679 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.813 -0.171 3.843 1.00 0.00 C ATOM 0 H ALA A 127 -10.228 1.472 2.916 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.965 -1.239 3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.388 -1.051 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.432 0.321 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.455 0.519 3.295 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.760 -0.821 0.783 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.162 -1.492 -0.476 1.00 0.00 C ATOM 1928 C ALA A 128 -10.966 -2.053 -1.264 1.00 0.00 C ATOM 1929 O ALA A 128 -11.033 -3.161 -1.792 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.968 -0.537 -1.357 1.00 0.00 C ATOM 0 H ALA A 128 -12.017 0.165 0.823 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.783 -2.341 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.255 -1.046 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.864 -0.219 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.361 0.335 -1.599 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.828 -1.363 -1.162 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.539 -1.806 -1.725 1.00 0.00 C ATOM 1938 C ILE A 129 -7.980 -3.036 -0.994 1.00 0.00 C ATOM 1939 O ILE A 129 -7.676 -4.031 -1.641 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.598 -0.580 -1.838 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.857 0.157 -3.163 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.101 -0.824 -1.583 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.604 -0.682 -4.427 1.00 0.00 C ATOM 0 H ILE A 129 -9.769 -0.466 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.665 -2.182 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.866 0.057 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.891 0.503 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.224 1.043 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.556 0.113 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.962 -1.208 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.723 -1.551 -2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.813 -0.080 -5.311 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.564 -1.006 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.256 -1.555 -4.421 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.019 -3.005 0.333 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.612 -4.104 1.224 1.00 0.00 C ATOM 1957 C VAL A 130 -8.530 -5.339 1.133 1.00 0.00 C ATOM 1958 O VAL A 130 -8.045 -6.468 1.130 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.394 -3.506 2.626 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.530 -4.484 3.798 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -5.985 -2.904 2.643 1.00 0.00 C ATOM 0 H VAL A 130 -8.346 -2.186 0.845 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.664 -4.537 0.904 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.188 -2.776 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.356 -3.955 4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.533 -4.910 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -6.797 -5.284 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.788 -2.467 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.253 -3.686 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.911 -2.130 1.879 1.00 0.00 H new ATOM 1971 N ASN A 131 -9.818 -5.092 0.926 1.00 0.00 N ATOM 1972 CA ASN A 131 -10.811 -6.155 0.674 1.00 0.00 C ATOM 1973 C ASN A 131 -10.595 -6.819 -0.699 1.00 0.00 C ATOM 1974 O ASN A 131 -10.684 -8.035 -0.811 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.226 -5.579 0.787 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.289 -6.682 0.835 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.135 -7.732 1.444 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.415 -6.443 0.205 1.00 0.00 N ATOM 0 H ASN A 131 -10.214 -4.152 0.926 1.00 0.00 H new ATOM 0 HA ASN A 131 -10.682 -6.931 1.429 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.298 -4.966 1.685 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.420 -4.924 -0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.165 -7.134 0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.540 -5.567 -0.302 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.185 -6.022 -1.684 1.00 0.00 N ATOM 1986 CA PHE A 132 -9.887 -6.479 -3.056 1.00 0.00 C ATOM 1987 C PHE A 132 -8.506 -7.150 -3.193 1.00 0.00 C ATOM 1988 O PHE A 132 -8.412 -8.283 -3.661 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.061 -5.274 -3.987 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.412 -5.411 -5.366 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.645 -6.512 -6.185 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.459 -4.468 -5.721 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -8.919 -6.661 -7.359 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.741 -4.618 -6.898 1.00 0.00 C ATOM 1995 CZ PHE A 132 -7.961 -5.720 -7.713 1.00 0.00 C ATOM 0 H PHE A 132 -10.045 -5.020 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.583 -7.270 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.127 -5.092 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.647 -4.394 -3.495 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.387 -7.247 -5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.276 -3.617 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -9.100 -7.512 -7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.009 -3.876 -7.181 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.389 -5.845 -8.620 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.475 -6.483 -2.678 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.081 -6.975 -2.686 1.00 0.00 C ATOM 2007 C VAL A 133 -5.954 -8.328 -1.950 1.00 0.00 C ATOM 2008 O VAL A 133 -5.241 -9.216 -2.407 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.147 -5.866 -2.154 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.174 -5.684 -0.633 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -3.719 -6.035 -2.674 1.00 0.00 C ATOM 0 H VAL A 133 -7.577 -5.570 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.765 -7.192 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.554 -4.939 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.489 -4.885 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.184 -5.425 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.869 -6.612 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.091 -5.237 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.326 -6.999 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -3.721 -5.990 -3.763 1.00 0.00 H new ATOM 2021 N SER A 134 -6.777 -8.493 -0.913 1.00 0.00 N ATOM 2022 CA SER A 134 -6.891 -9.756 -0.156 1.00 0.00 C ATOM 2023 C SER A 134 -7.854 -10.765 -0.805 1.00 0.00 C ATOM 2024 O SER A 134 -7.577 -11.962 -0.808 1.00 0.00 O ATOM 2025 CB SER A 134 -7.317 -9.463 1.283 1.00 0.00 C ATOM 2026 OG SER A 134 -6.617 -10.336 2.170 1.00 0.00 O ATOM 0 H SER A 134 -7.390 -7.754 -0.567 1.00 0.00 H new ATOM 0 HA SER A 134 -5.905 -10.222 -0.164 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.103 -8.424 1.533 1.00 0.00 H new ATOM 0 HB3 SER A 134 -8.393 -9.602 1.391 1.00 0.00 H new ATOM 0 HG SER A 134 -6.887 -10.149 3.093 1.00 0.00 H new ATOM 2032 N ARG A 135 -8.887 -10.280 -1.502 1.00 0.00 N ATOM 2033 CA ARG A 135 -9.823 -11.133 -2.268 1.00 0.00 C ATOM 2034 C ARG A 135 -9.120 -11.883 -3.416 1.00 0.00 C ATOM 2035 O ARG A 135 -9.439 -13.036 -3.685 1.00 0.00 O ATOM 2036 CB ARG A 135 -10.992 -10.281 -2.789 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.011 -11.053 -3.630 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.259 -10.215 -3.904 1.00 0.00 C ATOM 2039 NE ARG A 135 -13.863 -10.711 -5.151 1.00 0.00 N ATOM 2040 CZ ARG A 135 -13.714 -10.134 -6.349 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -12.912 -9.086 -6.509 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -14.272 -10.656 -7.426 1.00 0.00 N ATOM 0 H ARG A 135 -9.104 -9.285 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.213 -11.897 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.506 -9.833 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -10.591 -9.463 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.555 -11.349 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.293 -11.969 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -13.965 -10.298 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.999 -9.161 -3.997 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.435 -11.554 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -12.399 -8.710 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -12.810 -8.658 -7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.825 -11.510 -7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -14.150 -10.205 -8.333 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.143 -11.222 -4.031 1.00 0.00 N ATOM 2057 CA VAL A 136 -7.332 -11.794 -5.130 1.00 0.00 C ATOM 2058 C VAL A 136 -6.166 -12.657 -4.589 1.00 0.00 C ATOM 2059 O VAL A 136 -5.701 -13.572 -5.262 1.00 0.00 O ATOM 2060 CB VAL A 136 -6.875 -10.676 -6.091 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.107 -11.207 -7.310 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -8.079 -9.892 -6.625 1.00 0.00 C ATOM 0 H VAL A 136 -7.881 -10.267 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 136 -7.952 -12.478 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.214 -10.041 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -5.813 -10.373 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.217 -11.739 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.745 -11.887 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.733 -9.109 -7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.744 -10.568 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.618 -9.441 -5.792 1.00 0.00 H new ATOM 2072 N MET A 137 -5.723 -12.347 -3.372 1.00 0.00 N ATOM 2073 CA MET A 137 -4.666 -13.096 -2.662 1.00 0.00 C ATOM 2074 C MET A 137 -5.170 -14.408 -2.025 1.00 0.00 C ATOM 2075 O MET A 137 -4.385 -15.307 -1.725 1.00 0.00 O ATOM 2076 CB MET A 137 -4.081 -12.152 -1.611 1.00 0.00 C ATOM 2077 CG MET A 137 -2.778 -12.675 -1.006 1.00 0.00 C ATOM 2078 SD MET A 137 -1.487 -11.385 -0.959 1.00 0.00 S ATOM 2079 CE MET A 137 -2.096 -10.291 0.306 1.00 0.00 C ATOM 0 H MET A 137 -6.088 -11.559 -2.837 1.00 0.00 H new ATOM 0 HA MET A 137 -3.906 -13.412 -3.376 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.900 -11.177 -2.065 1.00 0.00 H new ATOM 0 HB3 MET A 137 -4.812 -12.003 -0.816 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.966 -13.038 0.004 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.422 -13.525 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.384 -9.480 0.459 1.00 0.00 H new ATOM 0 HE2 MET A 137 -3.056 -9.878 -0.002 1.00 0.00 H new ATOM 0 HE3 MET A 137 -2.221 -10.845 1.237 1.00 0.00 H new