USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=20 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 -142:sc= 1.34 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -2 K(o=-0.66,f=-4.8) USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.585 K(o=-0.58,f=-5.6!) USER MOD Set 3.1: A 9 ASN : amide:sc= -1.84! K(o=-2!,f=-2.8) USER MOD Set 3.2: A 47 HIS : no HD1:sc= -0.135 X(o=-2,f=-2.4) USER MOD Set 3.3: A 60 ASN : amide:sc= -0.0406 X(o=-2,f=-2.5) USER MOD Single : A 8 CYS SG : rot 120:sc= -1.01 USER MOD Single : A 14 ASN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 177:sc= -1.02 (180deg=-1.12) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 25 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 75:sc= 0.962 USER MOD Single : A 40 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 42 THR OG1 : rot 180:sc= 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= -0.372 K(o=-0.37,f=-2.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot -46:sc= 1.16 USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 78 CYS SG : rot -160:sc= -1.01 USER MOD Single : A 83 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.5) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -3.1! C(o=-3.1!,f=-8.8!) USER MOD Single : A 114 CYS SG : rot 130:sc= -0.104 USER MOD Single : A 124 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.8!) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -6.300 -5.340 -15.330 1.00 0.00 N ATOM 55 CA GLY A 5 -7.764 -5.451 -15.165 1.00 0.00 C ATOM 56 C GLY A 5 -8.300 -4.548 -14.047 1.00 0.00 C ATOM 57 O GLY A 5 -9.412 -4.036 -14.133 1.00 0.00 O ATOM 0 HA2 GLY A 5 -8.253 -5.190 -16.104 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.024 -6.487 -14.947 1.00 0.00 H new ATOM 61 N ALA A 6 -7.472 -4.347 -13.028 1.00 0.00 N ATOM 62 CA ALA A 6 -7.759 -3.386 -11.949 1.00 0.00 C ATOM 63 C ALA A 6 -6.785 -2.204 -12.017 1.00 0.00 C ATOM 64 O ALA A 6 -5.761 -2.276 -12.694 1.00 0.00 O ATOM 65 CB ALA A 6 -7.675 -4.099 -10.605 1.00 0.00 C ATOM 0 H ALA A 6 -6.585 -4.839 -12.919 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.767 -2.988 -12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.887 -3.391 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.404 -4.908 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.674 -4.508 -10.472 1.00 0.00 H new ATOM 71 N ALA A 7 -7.181 -1.108 -11.372 1.00 0.00 N ATOM 72 CA ALA A 7 -6.459 0.184 -11.353 1.00 0.00 C ATOM 73 C ALA A 7 -7.218 1.188 -10.479 1.00 0.00 C ATOM 74 O ALA A 7 -8.377 1.511 -10.736 1.00 0.00 O ATOM 75 CB ALA A 7 -6.292 0.796 -12.754 1.00 0.00 C ATOM 0 H ALA A 7 -8.042 -1.084 -10.826 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.466 -0.021 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.756 1.742 -12.676 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.728 0.110 -13.386 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.274 0.971 -13.194 1.00 0.00 H new ATOM 81 N CYS A 8 -6.640 1.437 -9.314 1.00 0.00 N ATOM 82 CA CYS A 8 -7.173 2.447 -8.379 1.00 0.00 C ATOM 83 C CYS A 8 -6.169 3.582 -8.130 1.00 0.00 C ATOM 84 O CYS A 8 -5.086 3.594 -8.711 1.00 0.00 O ATOM 85 CB CYS A 8 -7.615 1.751 -7.086 1.00 0.00 C ATOM 86 SG CYS A 8 -9.079 0.688 -7.354 1.00 0.00 S ATOM 0 H CYS A 8 -5.802 0.960 -8.983 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.045 2.926 -8.825 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.794 1.148 -6.699 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.844 2.501 -6.329 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.784 -0.541 -7.051 1.00 0.00 H new ATOM 92 N ASN A 9 -6.510 4.464 -7.197 1.00 0.00 N ATOM 93 CA ASN A 9 -5.682 5.631 -6.843 1.00 0.00 C ATOM 94 C ASN A 9 -5.332 5.617 -5.359 1.00 0.00 C ATOM 95 O ASN A 9 -6.213 5.589 -4.496 1.00 0.00 O ATOM 96 CB ASN A 9 -6.393 6.951 -7.139 1.00 0.00 C ATOM 97 CG ASN A 9 -6.431 7.278 -8.627 1.00 0.00 C ATOM 98 OD1 ASN A 9 -6.748 6.456 -9.476 1.00 0.00 O ATOM 99 ND2 ASN A 9 -6.221 8.536 -8.935 1.00 0.00 N ATOM 0 H ASN A 9 -7.372 4.397 -6.657 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.781 5.560 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.412 6.904 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.889 7.758 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.321 8.848 -9.901 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.958 9.202 -8.209 1.00 0.00 H new ATOM 106 N VAL A 10 -4.030 5.613 -5.112 1.00 0.00 N ATOM 107 CA VAL A 10 -3.490 5.592 -3.740 1.00 0.00 C ATOM 108 C VAL A 10 -2.300 6.571 -3.657 1.00 0.00 C ATOM 109 O VAL A 10 -1.576 6.772 -4.629 1.00 0.00 O ATOM 110 CB VAL A 10 -3.155 4.157 -3.233 1.00 0.00 C ATOM 111 CG1 VAL A 10 -4.127 3.068 -3.709 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.720 3.686 -3.469 1.00 0.00 C ATOM 0 H VAL A 10 -3.316 5.624 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.264 5.932 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.278 4.288 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.817 2.103 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.133 3.300 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.122 3.027 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.599 2.676 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.508 3.688 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.028 4.357 -2.960 1.00 0.00 H new ATOM 122 N LEU A 11 -2.144 7.192 -2.500 1.00 0.00 N ATOM 123 CA LEU A 11 -0.976 8.038 -2.210 1.00 0.00 C ATOM 124 C LEU A 11 0.183 7.214 -1.657 1.00 0.00 C ATOM 125 O LEU A 11 0.054 6.549 -0.628 1.00 0.00 O ATOM 126 CB LEU A 11 -1.325 9.197 -1.272 1.00 0.00 C ATOM 127 CG LEU A 11 -1.846 10.402 -2.063 1.00 0.00 C ATOM 128 CD1 LEU A 11 -2.382 11.465 -1.123 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.725 11.083 -2.834 1.00 0.00 C ATOM 0 H LEU A 11 -2.814 7.131 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.657 8.474 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.079 8.875 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.443 9.486 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.615 10.017 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.747 12.313 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.199 11.050 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.585 11.797 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.127 11.934 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.038 11.430 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.282 10.374 -3.534 1.00 0.00 H new ATOM 141 N PHE A 12 1.206 7.150 -2.499 1.00 0.00 N ATOM 142 CA PHE A 12 2.477 6.463 -2.229 1.00 0.00 C ATOM 143 C PHE A 12 3.205 7.266 -1.159 1.00 0.00 C ATOM 144 O PHE A 12 3.594 8.415 -1.382 1.00 0.00 O ATOM 145 CB PHE A 12 3.363 6.424 -3.478 1.00 0.00 C ATOM 146 CG PHE A 12 4.629 5.584 -3.290 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.705 6.103 -2.571 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.724 4.313 -3.849 1.00 0.00 C ATOM 149 CE1 PHE A 12 6.855 5.354 -2.401 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.877 3.564 -3.679 1.00 0.00 C ATOM 151 CZ PHE A 12 6.948 4.085 -2.959 1.00 0.00 C ATOM 0 H PHE A 12 1.180 7.587 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 12 2.274 5.439 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.788 6.022 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.646 7.442 -3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.640 7.093 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.898 3.910 -4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.682 5.756 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.945 2.574 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 12 7.850 3.504 -2.834 1.00 0.00 H new ATOM 161 N ILE A 13 3.360 6.617 -0.022 1.00 0.00 N ATOM 162 CA ILE A 13 4.097 7.245 1.075 1.00 0.00 C ATOM 163 C ILE A 13 5.587 6.885 0.927 1.00 0.00 C ATOM 164 O ILE A 13 6.348 7.688 0.394 1.00 0.00 O ATOM 165 CB ILE A 13 3.478 6.886 2.432 1.00 0.00 C ATOM 166 CG1 ILE A 13 1.957 7.122 2.557 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.255 7.637 3.503 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.440 8.554 2.358 1.00 0.00 C ATOM 0 H ILE A 13 3.000 5.682 0.172 1.00 0.00 H new ATOM 0 HA ILE A 13 4.024 8.332 1.028 1.00 0.00 H new ATOM 0 HB ILE A 13 3.565 5.806 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.457 6.481 1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.645 6.787 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.840 7.404 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.302 7.336 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.180 8.709 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.356 8.569 2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.894 9.211 3.100 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.702 8.900 1.358 1.00 0.00 H new ATOM 180 N ASN A 14 5.958 5.684 1.384 1.00 0.00 N ATOM 181 CA ASN A 14 7.331 5.132 1.333 1.00 0.00 C ATOM 182 C ASN A 14 7.412 3.737 1.968 1.00 0.00 C ATOM 183 O ASN A 14 6.412 3.234 2.488 1.00 0.00 O ATOM 184 CB ASN A 14 8.332 6.060 2.032 1.00 0.00 C ATOM 185 CG ASN A 14 9.431 6.450 1.042 1.00 0.00 C ATOM 186 OD1 ASN A 14 10.504 5.862 1.003 1.00 0.00 O ATOM 187 ND2 ASN A 14 9.123 7.352 0.139 1.00 0.00 N ATOM 0 H ASN A 14 5.294 5.042 1.816 1.00 0.00 H new ATOM 0 HA ASN A 14 7.590 5.051 0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.824 6.952 2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.766 5.560 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.782 7.571 -0.608 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.225 7.834 0.185 1.00 0.00 H new ATOM 194 N SER A 15 8.527 3.054 1.713 1.00 0.00 N ATOM 195 CA SER A 15 8.775 1.734 2.324 1.00 0.00 C ATOM 196 C SER A 15 9.663 1.921 3.551 1.00 0.00 C ATOM 197 O SER A 15 10.602 2.716 3.566 1.00 0.00 O ATOM 198 CB SER A 15 9.430 0.717 1.379 1.00 0.00 C ATOM 199 OG SER A 15 10.843 0.896 1.243 1.00 0.00 O ATOM 0 H SER A 15 9.270 3.382 1.096 1.00 0.00 H new ATOM 0 HA SER A 15 7.800 1.323 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.233 -0.290 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.965 0.794 0.396 1.00 0.00 H new ATOM 0 HG SER A 15 11.201 0.219 0.632 1.00 0.00 H new ATOM 205 N VAL A 16 9.239 1.258 4.609 1.00 0.00 N ATOM 206 CA VAL A 16 9.939 1.334 5.898 1.00 0.00 C ATOM 207 C VAL A 16 10.255 -0.074 6.397 1.00 0.00 C ATOM 208 O VAL A 16 9.372 -0.907 6.617 1.00 0.00 O ATOM 209 CB VAL A 16 9.192 2.226 6.905 1.00 0.00 C ATOM 210 CG1 VAL A 16 9.103 3.666 6.388 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.786 1.723 7.196 1.00 0.00 C ATOM 0 H VAL A 16 8.414 0.658 4.612 1.00 0.00 H new ATOM 0 HA VAL A 16 10.898 1.835 5.766 1.00 0.00 H new ATOM 0 HB VAL A 16 9.766 2.192 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.571 4.281 7.114 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.108 4.063 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.567 3.679 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.303 2.388 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.208 1.703 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.838 0.717 7.613 1.00 0.00 H new ATOM 221 N GLU A 17 11.522 -0.398 6.181 1.00 0.00 N ATOM 222 CA GLU A 17 12.077 -1.713 6.537 1.00 0.00 C ATOM 223 C GLU A 17 11.818 -2.001 8.021 1.00 0.00 C ATOM 224 O GLU A 17 12.140 -1.207 8.902 1.00 0.00 O ATOM 225 CB GLU A 17 13.570 -1.793 6.196 1.00 0.00 C ATOM 226 CG GLU A 17 14.430 -0.754 6.928 1.00 0.00 C ATOM 227 CD GLU A 17 15.909 -0.913 6.589 1.00 0.00 C ATOM 228 OE1 GLU A 17 16.503 -1.888 7.098 1.00 0.00 O ATOM 229 OE2 GLU A 17 16.379 -0.109 5.757 1.00 0.00 O ATOM 0 H GLU A 17 12.199 0.235 5.756 1.00 0.00 H new ATOM 0 HA GLU A 17 11.576 -2.480 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.936 -2.790 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.695 -1.662 5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.100 0.249 6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.289 -0.857 8.004 1.00 0.00 H new ATOM 236 N MET A 18 11.104 -3.093 8.233 1.00 0.00 N ATOM 237 CA MET A 18 10.736 -3.495 9.600 1.00 0.00 C ATOM 238 C MET A 18 11.555 -4.682 10.111 1.00 0.00 C ATOM 239 O MET A 18 11.259 -5.241 11.165 1.00 0.00 O ATOM 240 CB MET A 18 9.238 -3.798 9.638 1.00 0.00 C ATOM 241 CG MET A 18 8.671 -3.400 11.005 1.00 0.00 C ATOM 242 SD MET A 18 9.077 -1.690 11.519 1.00 0.00 S ATOM 243 CE MET A 18 8.371 -0.797 10.155 1.00 0.00 C ATOM 0 H MET A 18 10.767 -3.714 7.498 1.00 0.00 H new ATOM 0 HA MET A 18 10.965 -2.668 10.272 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.725 -3.251 8.847 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.066 -4.859 9.456 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.587 -3.513 10.983 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.048 -4.093 11.758 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.479 0.274 10.326 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.887 -1.071 9.235 1.00 0.00 H new ATOM 0 HE3 MET A 18 7.313 -1.045 10.066 1.00 0.00 H new ATOM 253 N GLU A 19 12.455 -5.143 9.240 1.00 0.00 N ATOM 254 CA GLU A 19 13.294 -6.331 9.471 1.00 0.00 C ATOM 255 C GLU A 19 12.420 -7.538 9.854 1.00 0.00 C ATOM 256 O GLU A 19 12.693 -8.277 10.793 1.00 0.00 O ATOM 257 CB GLU A 19 14.338 -6.022 10.547 1.00 0.00 C ATOM 258 CG GLU A 19 15.744 -6.178 9.977 1.00 0.00 C ATOM 259 CD GLU A 19 16.703 -6.779 11.007 1.00 0.00 C ATOM 260 OE1 GLU A 19 16.679 -6.331 12.177 1.00 0.00 O ATOM 261 OE2 GLU A 19 17.509 -7.624 10.566 1.00 0.00 O ATOM 0 H GLU A 19 12.628 -4.698 8.339 1.00 0.00 H new ATOM 0 HA GLU A 19 13.821 -6.590 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.199 -5.007 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.205 -6.693 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.711 -6.816 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.117 -5.206 9.655 1.00 0.00 H new ATOM 268 N SER A 20 11.290 -7.613 9.145 1.00 0.00 N ATOM 269 CA SER A 20 10.212 -8.598 9.346 1.00 0.00 C ATOM 270 C SER A 20 9.824 -8.712 10.822 1.00 0.00 C ATOM 271 O SER A 20 10.341 -9.517 11.592 1.00 0.00 O ATOM 272 CB SER A 20 10.633 -9.958 8.819 1.00 0.00 C ATOM 273 OG SER A 20 9.478 -10.676 8.394 1.00 0.00 O ATOM 0 H SER A 20 11.089 -6.965 8.383 1.00 0.00 H new ATOM 0 HA SER A 20 9.341 -8.249 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.328 -9.840 7.988 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.157 -10.516 9.595 1.00 0.00 H new ATOM 0 HG SER A 20 9.746 -11.554 8.051 1.00 0.00 H new ATOM 279 N LEU A 21 8.909 -7.823 11.182 1.00 0.00 N ATOM 280 CA LEU A 21 8.416 -7.770 12.562 1.00 0.00 C ATOM 281 C LEU A 21 7.544 -8.997 12.873 1.00 0.00 C ATOM 282 O LEU A 21 8.051 -9.982 13.398 1.00 0.00 O ATOM 283 CB LEU A 21 7.703 -6.444 12.802 1.00 0.00 C ATOM 284 CG LEU A 21 7.935 -6.040 14.252 1.00 0.00 C ATOM 285 CD1 LEU A 21 8.747 -4.750 14.317 1.00 0.00 C ATOM 286 CD2 LEU A 21 6.608 -5.911 14.984 1.00 0.00 C ATOM 0 H LEU A 21 8.495 -7.136 10.553 1.00 0.00 H new ATOM 0 HA LEU A 21 9.253 -7.812 13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.086 -5.678 12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.636 -6.543 12.600 1.00 0.00 H new ATOM 0 HG LEU A 21 8.511 -6.818 14.753 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.906 -4.472 15.359 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.711 -4.902 13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.205 -3.953 13.808 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.790 -5.622 16.019 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.996 -5.151 14.497 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.085 -6.867 14.961 1.00 0.00 H new ATOM 298 N THR A 22 6.348 -9.007 12.281 1.00 0.00 N ATOM 299 CA THR A 22 5.334 -10.066 12.499 1.00 0.00 C ATOM 300 C THR A 22 4.317 -10.043 11.340 1.00 0.00 C ATOM 301 O THR A 22 4.366 -10.883 10.448 1.00 0.00 O ATOM 302 CB THR A 22 4.649 -9.923 13.881 1.00 0.00 C ATOM 303 OG1 THR A 22 5.635 -9.793 14.910 1.00 0.00 O ATOM 304 CG2 THR A 22 3.710 -11.090 14.201 1.00 0.00 C ATOM 0 H THR A 22 6.044 -8.281 11.632 1.00 0.00 H new ATOM 0 HA THR A 22 5.828 -11.038 12.507 1.00 0.00 H new ATOM 0 HB THR A 22 4.037 -9.022 13.839 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.191 -9.702 15.779 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.259 -10.936 15.181 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.926 -11.144 13.445 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.276 -12.022 14.205 1.00 0.00 H new ATOM 312 N GLY A 23 3.426 -9.041 11.366 1.00 0.00 N ATOM 313 CA GLY A 23 2.394 -8.852 10.320 1.00 0.00 C ATOM 314 C GLY A 23 1.424 -7.718 10.700 1.00 0.00 C ATOM 315 O GLY A 23 1.724 -6.570 10.362 1.00 0.00 O ATOM 0 H GLY A 23 3.395 -8.339 12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.873 -8.622 9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.838 -9.779 10.181 1.00 0.00 H new ATOM 319 N PRO A 24 0.460 -7.986 11.601 1.00 0.00 N ATOM 320 CA PRO A 24 -0.471 -6.957 12.119 1.00 0.00 C ATOM 321 C PRO A 24 0.193 -5.894 13.016 1.00 0.00 C ATOM 322 O PRO A 24 -0.434 -4.914 13.410 1.00 0.00 O ATOM 323 CB PRO A 24 -1.545 -7.750 12.867 1.00 0.00 C ATOM 324 CG PRO A 24 -0.785 -8.965 13.397 1.00 0.00 C ATOM 325 CD PRO A 24 0.211 -9.279 12.280 1.00 0.00 C ATOM 0 HA PRO A 24 -0.877 -6.363 11.300 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.984 -7.167 13.676 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.361 -8.043 12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.278 -8.743 14.336 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.453 -9.805 13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.134 -9.696 12.682 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.195 -10.015 11.587 1.00 0.00 H new ATOM 333 N GLN A 25 1.491 -6.064 13.263 1.00 0.00 N ATOM 334 CA GLN A 25 2.286 -5.124 14.064 1.00 0.00 C ATOM 335 C GLN A 25 3.272 -4.307 13.226 1.00 0.00 C ATOM 336 O GLN A 25 3.411 -3.116 13.469 1.00 0.00 O ATOM 337 CB GLN A 25 3.028 -5.893 15.149 1.00 0.00 C ATOM 338 CG GLN A 25 3.450 -4.931 16.259 1.00 0.00 C ATOM 339 CD GLN A 25 3.186 -5.590 17.604 1.00 0.00 C ATOM 340 OE1 GLN A 25 2.071 -5.974 17.926 1.00 0.00 O ATOM 341 NE2 GLN A 25 4.218 -5.784 18.388 1.00 0.00 N ATOM 0 H GLN A 25 2.026 -6.859 12.914 1.00 0.00 H new ATOM 0 HA GLN A 25 1.595 -4.408 14.510 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.389 -6.676 15.556 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.904 -6.384 14.726 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.507 -4.682 16.161 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.894 -3.997 16.181 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.142 -5.458 18.105 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.097 -6.261 19.281 1.00 0.00 H new ATOM 350 N ALA A 26 3.886 -4.918 12.216 1.00 0.00 N ATOM 351 CA ALA A 26 4.739 -4.186 11.267 1.00 0.00 C ATOM 352 C ALA A 26 3.978 -3.064 10.551 1.00 0.00 C ATOM 353 O ALA A 26 4.513 -1.972 10.489 1.00 0.00 O ATOM 354 CB ALA A 26 5.355 -5.157 10.275 1.00 0.00 C ATOM 0 H ALA A 26 3.812 -5.918 12.029 1.00 0.00 H new ATOM 0 HA ALA A 26 5.537 -3.704 11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.986 -4.610 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.958 -5.890 10.810 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.564 -5.669 9.727 1.00 0.00 H new ATOM 360 N ILE A 27 2.677 -3.248 10.309 1.00 0.00 N ATOM 361 CA ILE A 27 1.788 -2.164 9.832 1.00 0.00 C ATOM 362 C ILE A 27 1.790 -1.000 10.842 1.00 0.00 C ATOM 363 O ILE A 27 2.202 0.079 10.462 1.00 0.00 O ATOM 364 CB ILE A 27 0.356 -2.669 9.573 1.00 0.00 C ATOM 365 CG1 ILE A 27 0.383 -3.909 8.674 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.492 -1.586 8.884 1.00 0.00 C ATOM 367 CD1 ILE A 27 -0.806 -4.821 8.970 1.00 0.00 C ATOM 0 H ILE A 27 2.205 -4.143 10.435 1.00 0.00 H new ATOM 0 HA ILE A 27 2.175 -1.805 8.878 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.085 -2.917 10.538 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.362 -3.605 7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.313 -4.455 8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.499 -1.967 8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.542 -0.703 9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.037 -1.320 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.765 -5.695 8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.768 -5.142 10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.734 -4.278 8.791 1.00 0.00 H new ATOM 379 N SER A 28 1.754 -1.303 12.138 1.00 0.00 N ATOM 380 CA SER A 28 1.779 -0.263 13.186 1.00 0.00 C ATOM 381 C SER A 28 3.190 0.316 13.374 1.00 0.00 C ATOM 382 O SER A 28 3.383 1.493 13.124 1.00 0.00 O ATOM 383 CB SER A 28 1.269 -0.801 14.520 1.00 0.00 C ATOM 384 OG SER A 28 0.779 0.299 15.282 1.00 0.00 O ATOM 0 H SER A 28 1.707 -2.257 12.496 1.00 0.00 H new ATOM 0 HA SER A 28 1.115 0.533 12.850 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.479 -1.534 14.358 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.070 -1.309 15.057 1.00 0.00 H new ATOM 0 HG SER A 28 0.444 -0.024 16.144 1.00 0.00 H new ATOM 390 N LYS A 29 4.201 -0.544 13.482 1.00 0.00 N ATOM 391 CA LYS A 29 5.613 -0.129 13.586 1.00 0.00 C ATOM 392 C LYS A 29 6.126 0.608 12.327 1.00 0.00 C ATOM 393 O LYS A 29 7.151 1.276 12.377 1.00 0.00 O ATOM 394 CB LYS A 29 6.435 -1.367 13.962 1.00 0.00 C ATOM 395 CG LYS A 29 7.717 -0.982 14.705 1.00 0.00 C ATOM 396 CD LYS A 29 7.920 -1.770 16.006 1.00 0.00 C ATOM 397 CE LYS A 29 7.357 -1.061 17.240 1.00 0.00 C ATOM 398 NZ LYS A 29 6.114 -1.665 17.744 1.00 0.00 N ATOM 0 H LYS A 29 4.071 -1.555 13.501 1.00 0.00 H new ATOM 0 HA LYS A 29 5.722 0.621 14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.835 -2.028 14.587 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.689 -1.925 13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.573 -1.147 14.050 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.691 0.084 14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.445 -2.746 15.909 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.986 -1.947 16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.106 -1.075 18.032 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.171 -0.015 16.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.786 -1.139 18.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.385 -1.628 17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.291 -2.656 18.007 1.00 0.00 H new ATOM 412 N ALA A 30 5.372 0.500 11.231 1.00 0.00 N ATOM 413 CA ALA A 30 5.554 1.208 9.949 1.00 0.00 C ATOM 414 C ALA A 30 4.739 2.498 9.887 1.00 0.00 C ATOM 415 O ALA A 30 5.314 3.567 9.965 1.00 0.00 O ATOM 416 CB ALA A 30 5.099 0.329 8.789 1.00 0.00 C ATOM 0 H ALA A 30 4.565 -0.123 11.207 1.00 0.00 H new ATOM 0 HA ALA A 30 6.616 1.443 9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.239 0.864 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.688 -0.588 8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.045 0.082 8.912 1.00 0.00 H new ATOM 422 N VAL A 31 3.430 2.379 10.080 1.00 0.00 N ATOM 423 CA VAL A 31 2.487 3.511 10.073 1.00 0.00 C ATOM 424 C VAL A 31 2.845 4.518 11.190 1.00 0.00 C ATOM 425 O VAL A 31 2.770 5.725 10.977 1.00 0.00 O ATOM 426 CB VAL A 31 1.039 3.007 10.211 1.00 0.00 C ATOM 427 CG1 VAL A 31 0.092 4.195 10.197 1.00 0.00 C ATOM 428 CG2 VAL A 31 0.567 2.067 9.096 1.00 0.00 C ATOM 0 H VAL A 31 2.978 1.480 10.249 1.00 0.00 H new ATOM 0 HA VAL A 31 2.568 4.030 9.118 1.00 0.00 H new ATOM 0 HB VAL A 31 1.028 2.446 11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.935 3.843 10.294 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.329 4.859 11.029 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.202 4.737 9.258 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.464 1.768 9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.626 2.582 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.203 1.182 9.073 1.00 0.00 H new ATOM 438 N ALA A 32 3.372 4.012 12.301 1.00 0.00 N ATOM 439 CA ALA A 32 3.822 4.816 13.452 1.00 0.00 C ATOM 440 C ALA A 32 5.219 5.420 13.234 1.00 0.00 C ATOM 441 O ALA A 32 5.479 6.529 13.688 1.00 0.00 O ATOM 442 CB ALA A 32 3.798 4.002 14.749 1.00 0.00 C ATOM 0 H ALA A 32 3.505 3.010 12.437 1.00 0.00 H new ATOM 0 HA ALA A 32 3.114 5.640 13.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.136 4.626 15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.782 3.659 14.944 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.459 3.141 14.650 1.00 0.00 H new ATOM 448 N GLU A 33 6.041 4.755 12.422 1.00 0.00 N ATOM 449 CA GLU A 33 7.351 5.304 12.020 1.00 0.00 C ATOM 450 C GLU A 33 7.280 6.115 10.707 1.00 0.00 C ATOM 451 O GLU A 33 8.290 6.599 10.215 1.00 0.00 O ATOM 452 CB GLU A 33 8.403 4.182 11.969 1.00 0.00 C ATOM 453 CG GLU A 33 8.478 3.370 10.670 1.00 0.00 C ATOM 454 CD GLU A 33 9.773 3.687 9.923 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.758 4.665 9.149 1.00 0.00 O ATOM 456 OE2 GLU A 33 10.738 2.915 10.101 1.00 0.00 O ATOM 0 H GLU A 33 5.831 3.838 12.027 1.00 0.00 H new ATOM 0 HA GLU A 33 7.662 6.021 12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.382 4.625 12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.207 3.493 12.791 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.431 2.305 10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.620 3.600 10.039 1.00 0.00 H new ATOM 463 N THR A 34 6.089 6.194 10.119 1.00 0.00 N ATOM 464 CA THR A 34 5.887 6.852 8.817 1.00 0.00 C ATOM 465 C THR A 34 4.996 8.093 8.936 1.00 0.00 C ATOM 466 O THR A 34 5.353 9.139 8.405 1.00 0.00 O ATOM 467 CB THR A 34 5.371 5.838 7.791 1.00 0.00 C ATOM 468 OG1 THR A 34 6.283 4.746 7.725 1.00 0.00 O ATOM 469 CG2 THR A 34 5.368 6.421 6.391 1.00 0.00 C ATOM 0 H THR A 34 5.236 5.808 10.524 1.00 0.00 H new ATOM 0 HA THR A 34 6.848 7.220 8.458 1.00 0.00 H new ATOM 0 HB THR A 34 4.366 5.550 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.178 4.183 8.520 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.996 5.676 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.723 7.299 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.383 6.707 6.114 1.00 0.00 H new ATOM 477 N LEU A 35 3.973 8.026 9.788 1.00 0.00 N ATOM 478 CA LEU A 35 3.162 9.215 10.112 1.00 0.00 C ATOM 479 C LEU A 35 3.931 10.277 10.905 1.00 0.00 C ATOM 480 O LEU A 35 3.741 11.473 10.703 1.00 0.00 O ATOM 481 CB LEU A 35 1.878 8.843 10.863 1.00 0.00 C ATOM 482 CG LEU A 35 0.635 8.745 9.966 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.391 10.057 9.214 1.00 0.00 C ATOM 484 CD2 LEU A 35 0.710 7.549 9.021 1.00 0.00 C ATOM 0 H LEU A 35 3.683 7.173 10.266 1.00 0.00 H new ATOM 0 HA LEU A 35 2.900 9.650 9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.027 7.887 11.365 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.695 9.586 11.639 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.225 8.577 10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.495 9.958 8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.240 10.864 9.931 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.254 10.284 8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.188 7.516 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.587 7.646 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.785 6.630 9.602 1.00 0.00 H new ATOM 496 N VAL A 36 4.852 9.784 11.729 1.00 0.00 N ATOM 497 CA VAL A 36 5.738 10.620 12.568 1.00 0.00 C ATOM 498 C VAL A 36 7.200 10.479 12.078 1.00 0.00 C ATOM 499 O VAL A 36 8.133 10.942 12.732 1.00 0.00 O ATOM 500 CB VAL A 36 5.564 10.225 14.059 1.00 0.00 C ATOM 501 CG1 VAL A 36 6.282 11.183 15.018 1.00 0.00 C ATOM 502 CG2 VAL A 36 4.094 10.177 14.496 1.00 0.00 C ATOM 0 H VAL A 36 5.014 8.783 11.842 1.00 0.00 H new ATOM 0 HA VAL A 36 5.469 11.672 12.479 1.00 0.00 H new ATOM 0 HB VAL A 36 6.007 9.231 14.118 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.124 10.855 16.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.350 11.186 14.798 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.883 12.190 14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.036 9.895 15.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.641 11.159 14.358 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.559 9.443 13.894 1.00 0.00 H new ATOM 512 N ALA A 37 7.389 9.921 10.873 1.00 0.00 N ATOM 513 CA ALA A 37 8.706 9.818 10.214 1.00 0.00 C ATOM 514 C ALA A 37 9.451 11.162 10.231 1.00 0.00 C ATOM 515 O ALA A 37 8.877 12.239 10.386 1.00 0.00 O ATOM 516 CB ALA A 37 8.545 9.364 8.759 1.00 0.00 C ATOM 0 H ALA A 37 6.628 9.524 10.321 1.00 0.00 H new ATOM 0 HA ALA A 37 9.287 9.083 10.772 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.526 9.294 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.060 8.388 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.934 10.087 8.218 1.00 0.00 H new ATOM 522 N ASP A 38 10.763 11.046 10.363 1.00 0.00 N ATOM 523 CA ASP A 38 11.617 12.239 10.429 1.00 0.00 C ATOM 524 C ASP A 38 12.947 11.995 9.699 1.00 0.00 C ATOM 525 O ASP A 38 13.737 11.167 10.159 1.00 0.00 O ATOM 526 CB ASP A 38 11.804 12.682 11.886 1.00 0.00 C ATOM 527 CG ASP A 38 12.310 14.126 11.962 1.00 0.00 C ATOM 528 OD1 ASP A 38 13.397 14.375 11.397 1.00 0.00 O ATOM 529 OD2 ASP A 38 11.580 14.965 12.533 1.00 0.00 O ATOM 0 H ASP A 38 11.261 10.158 10.426 1.00 0.00 H new ATOM 0 HA ASP A 38 11.127 13.063 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.858 12.596 12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.512 12.019 12.383 1.00 0.00 H new ATOM 534 N PRO A 39 13.104 12.642 8.537 1.00 0.00 N ATOM 535 CA PRO A 39 12.096 13.511 7.892 1.00 0.00 C ATOM 536 C PRO A 39 10.957 12.713 7.233 1.00 0.00 C ATOM 537 O PRO A 39 11.110 11.530 6.932 1.00 0.00 O ATOM 538 CB PRO A 39 12.899 14.348 6.894 1.00 0.00 C ATOM 539 CG PRO A 39 14.058 13.431 6.501 1.00 0.00 C ATOM 540 CD PRO A 39 14.371 12.653 7.781 1.00 0.00 C ATOM 0 HA PRO A 39 11.573 14.138 8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.297 14.626 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.256 15.274 7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.779 12.762 5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.921 14.003 6.161 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.706 11.640 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.167 13.133 8.351 1.00 0.00 H new ATOM 548 N THR A 40 9.785 13.339 7.183 1.00 0.00 N ATOM 549 CA THR A 40 8.585 12.755 6.542 1.00 0.00 C ATOM 550 C THR A 40 8.624 12.904 5.012 1.00 0.00 C ATOM 551 O THR A 40 8.760 14.023 4.513 1.00 0.00 O ATOM 552 CB THR A 40 7.293 13.283 7.202 1.00 0.00 C ATOM 553 OG1 THR A 40 7.128 12.520 8.390 1.00 0.00 O ATOM 554 CG2 THR A 40 5.999 13.156 6.393 1.00 0.00 C ATOM 0 H THR A 40 9.628 14.265 7.582 1.00 0.00 H new ATOM 0 HA THR A 40 8.586 11.679 6.716 1.00 0.00 H new ATOM 0 HB THR A 40 7.432 14.356 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.820 12.769 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.168 13.563 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.098 13.709 5.459 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.808 12.105 6.174 1.00 0.00 H new ATOM 562 N PRO A 41 8.557 11.776 4.291 1.00 0.00 N ATOM 563 CA PRO A 41 8.495 11.778 2.819 1.00 0.00 C ATOM 564 C PRO A 41 7.138 12.296 2.328 1.00 0.00 C ATOM 565 O PRO A 41 6.126 12.214 3.023 1.00 0.00 O ATOM 566 CB PRO A 41 8.753 10.325 2.415 1.00 0.00 C ATOM 567 CG PRO A 41 8.210 9.521 3.597 1.00 0.00 C ATOM 568 CD PRO A 41 8.535 10.392 4.811 1.00 0.00 C ATOM 0 HA PRO A 41 9.229 12.445 2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.241 10.070 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.814 10.136 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.138 9.348 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.686 8.543 3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.785 10.276 5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.496 10.119 5.248 1.00 0.00 H new ATOM 576 N THR A 42 7.173 12.878 1.136 1.00 0.00 N ATOM 577 CA THR A 42 5.964 13.422 0.486 1.00 0.00 C ATOM 578 C THR A 42 5.101 12.288 -0.092 1.00 0.00 C ATOM 579 O THR A 42 5.618 11.274 -0.559 1.00 0.00 O ATOM 580 CB THR A 42 6.319 14.476 -0.581 1.00 0.00 C ATOM 581 OG1 THR A 42 5.113 15.096 -1.034 1.00 0.00 O ATOM 582 CG2 THR A 42 7.137 13.937 -1.764 1.00 0.00 C ATOM 0 H THR A 42 8.026 12.991 0.588 1.00 0.00 H new ATOM 0 HA THR A 42 5.373 13.933 1.246 1.00 0.00 H new ATOM 0 HB THR A 42 6.974 15.204 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.327 15.770 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.341 14.747 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.079 13.528 -1.399 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.573 13.153 -2.270 1.00 0.00 H new ATOM 590 N ALA A 43 3.792 12.484 0.002 1.00 0.00 N ATOM 591 CA ALA A 43 2.803 11.555 -0.569 1.00 0.00 C ATOM 592 C ALA A 43 2.600 11.848 -2.065 1.00 0.00 C ATOM 593 O ALA A 43 2.205 12.946 -2.459 1.00 0.00 O ATOM 594 CB ALA A 43 1.492 11.677 0.210 1.00 0.00 C ATOM 0 H ALA A 43 3.378 13.288 0.474 1.00 0.00 H new ATOM 0 HA ALA A 43 3.164 10.530 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.755 10.991 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.666 11.428 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.119 12.699 0.137 1.00 0.00 H new ATOM 600 N THR A 44 2.890 10.833 -2.872 1.00 0.00 N ATOM 601 CA THR A 44 2.777 10.920 -4.346 1.00 0.00 C ATOM 602 C THR A 44 1.594 10.093 -4.872 1.00 0.00 C ATOM 603 O THR A 44 1.371 8.955 -4.466 1.00 0.00 O ATOM 604 CB THR A 44 4.115 10.496 -4.978 1.00 0.00 C ATOM 605 OG1 THR A 44 5.110 11.437 -4.571 1.00 0.00 O ATOM 606 CG2 THR A 44 4.095 10.418 -6.505 1.00 0.00 C ATOM 0 H THR A 44 3.210 9.924 -2.536 1.00 0.00 H new ATOM 0 HA THR A 44 2.570 11.951 -4.632 1.00 0.00 H new ATOM 0 HB THR A 44 4.328 9.485 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.974 11.188 -4.960 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.077 10.112 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.349 9.690 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.845 11.396 -6.916 1.00 0.00 H new ATOM 614 N ILE A 45 0.869 10.679 -5.820 1.00 0.00 N ATOM 615 CA ILE A 45 -0.345 10.066 -6.400 1.00 0.00 C ATOM 616 C ILE A 45 0.067 8.945 -7.367 1.00 0.00 C ATOM 617 O ILE A 45 0.739 9.177 -8.376 1.00 0.00 O ATOM 618 CB ILE A 45 -1.243 11.107 -7.094 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.554 12.279 -6.148 1.00 0.00 C ATOM 620 CG2 ILE A 45 -2.547 10.440 -7.560 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.982 13.562 -6.866 1.00 0.00 C ATOM 0 H ILE A 45 1.097 11.591 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.940 9.641 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.712 11.502 -7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.345 11.978 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.671 12.490 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.179 11.180 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.315 9.639 -8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.073 10.027 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.183 14.341 -6.130 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.184 13.890 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.884 13.370 -7.447 1.00 0.00 H new ATOM 633 N VAL A 46 -0.222 7.732 -6.918 1.00 0.00 N ATOM 634 CA VAL A 46 0.076 6.500 -7.671 1.00 0.00 C ATOM 635 C VAL A 46 -1.186 5.656 -7.913 1.00 0.00 C ATOM 636 O VAL A 46 -2.185 5.758 -7.198 1.00 0.00 O ATOM 637 CB VAL A 46 1.217 5.677 -7.032 1.00 0.00 C ATOM 638 CG1 VAL A 46 2.518 6.480 -6.955 1.00 0.00 C ATOM 639 CG2 VAL A 46 0.873 5.100 -5.659 1.00 0.00 C ATOM 0 H VAL A 46 -0.672 7.563 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 46 0.439 6.814 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 46 1.359 4.828 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.297 5.868 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.826 6.771 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.359 7.373 -6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.724 4.536 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.638 5.912 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.011 4.439 -5.748 1.00 0.00 H new ATOM 649 N HIS A 47 -1.088 4.800 -8.921 1.00 0.00 N ATOM 650 CA HIS A 47 -2.186 3.894 -9.301 1.00 0.00 C ATOM 651 C HIS A 47 -1.851 2.442 -8.945 1.00 0.00 C ATOM 652 O HIS A 47 -0.847 1.896 -9.405 1.00 0.00 O ATOM 653 CB HIS A 47 -2.538 4.046 -10.784 1.00 0.00 C ATOM 654 CG HIS A 47 -3.348 5.325 -11.062 1.00 0.00 C ATOM 655 ND1 HIS A 47 -4.608 5.359 -11.473 1.00 0.00 N ATOM 656 CD2 HIS A 47 -2.867 6.563 -11.106 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.892 6.620 -11.809 1.00 0.00 C ATOM 658 NE2 HIS A 47 -3.816 7.369 -11.581 1.00 0.00 N ATOM 0 H HIS A 47 -0.254 4.707 -9.501 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.069 4.175 -8.726 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.621 4.064 -11.373 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.110 3.178 -11.111 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.874 6.865 -10.807 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.835 6.972 -12.200 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.733 8.373 -11.740 1.00 0.00 H new ATOM 666 N PHE A 48 -2.618 1.945 -7.982 1.00 0.00 N ATOM 667 CA PHE A 48 -2.459 0.588 -7.422 1.00 0.00 C ATOM 668 C PHE A 48 -3.140 -0.424 -8.352 1.00 0.00 C ATOM 669 O PHE A 48 -4.368 -0.456 -8.481 1.00 0.00 O ATOM 670 CB PHE A 48 -3.088 0.518 -6.027 1.00 0.00 C ATOM 671 CG PHE A 48 -2.434 -0.528 -5.123 1.00 0.00 C ATOM 672 CD1 PHE A 48 -2.660 -1.887 -5.310 1.00 0.00 C ATOM 673 CD2 PHE A 48 -1.641 -0.117 -4.057 1.00 0.00 C ATOM 674 CE1 PHE A 48 -2.098 -2.803 -4.438 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.054 -1.032 -3.200 1.00 0.00 C ATOM 676 CZ PHE A 48 -1.289 -2.388 -3.384 1.00 0.00 C ATOM 0 H PHE A 48 -3.380 2.472 -7.556 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.398 0.353 -7.339 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.014 1.496 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.150 0.291 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.272 -2.227 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.480 0.938 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.290 -3.857 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.418 -0.694 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.849 -3.113 -2.716 1.00 0.00 H new ATOM 686 N LYS A 49 -2.299 -1.156 -9.068 1.00 0.00 N ATOM 687 CA LYS A 49 -2.755 -2.162 -10.038 1.00 0.00 C ATOM 688 C LYS A 49 -2.654 -3.554 -9.415 1.00 0.00 C ATOM 689 O LYS A 49 -1.596 -3.989 -8.966 1.00 0.00 O ATOM 690 CB LYS A 49 -1.937 -2.063 -11.322 1.00 0.00 C ATOM 691 CG LYS A 49 -2.676 -2.712 -12.492 1.00 0.00 C ATOM 692 CD LYS A 49 -2.715 -1.709 -13.641 1.00 0.00 C ATOM 693 CE LYS A 49 -3.264 -2.340 -14.916 1.00 0.00 C ATOM 694 NZ LYS A 49 -2.886 -1.509 -16.066 1.00 0.00 N ATOM 0 H LYS A 49 -1.284 -1.076 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.798 -1.977 -10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.736 -1.016 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.972 -2.550 -11.181 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.170 -3.627 -12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.687 -2.992 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.334 -0.857 -13.360 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.711 -1.327 -13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.870 -3.349 -15.036 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.349 -2.427 -14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.258 -1.935 -16.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.283 -0.555 -15.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.849 -1.448 -16.125 1.00 0.00 H new ATOM 708 N VAL A 50 -3.853 -4.038 -9.144 1.00 0.00 N ATOM 709 CA VAL A 50 -4.119 -5.315 -8.460 1.00 0.00 C ATOM 710 C VAL A 50 -4.609 -6.397 -9.427 1.00 0.00 C ATOM 711 O VAL A 50 -5.718 -6.355 -9.951 1.00 0.00 O ATOM 712 CB VAL A 50 -5.099 -5.134 -7.285 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.322 -4.850 -6.009 1.00 0.00 C ATOM 714 CG2 VAL A 50 -6.114 -3.993 -7.445 1.00 0.00 C ATOM 0 H VAL A 50 -4.707 -3.543 -9.399 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.168 -5.656 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.658 -6.069 -7.253 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.018 -4.722 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.654 -5.684 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.737 -3.939 -6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.756 -3.951 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.584 -3.047 -7.553 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.724 -4.170 -8.331 1.00 0.00 H new ATOM 724 N SER A 51 -3.671 -7.266 -9.762 1.00 0.00 N ATOM 725 CA SER A 51 -3.901 -8.381 -10.696 1.00 0.00 C ATOM 726 C SER A 51 -3.527 -9.717 -10.073 1.00 0.00 C ATOM 727 O SER A 51 -2.857 -9.718 -9.042 1.00 0.00 O ATOM 728 CB SER A 51 -3.087 -8.155 -11.959 1.00 0.00 C ATOM 729 OG SER A 51 -3.844 -7.220 -12.712 1.00 0.00 O ATOM 0 H SER A 51 -2.719 -7.227 -9.397 1.00 0.00 H new ATOM 0 HA SER A 51 -4.964 -8.412 -10.937 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.095 -7.767 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.944 -9.085 -12.510 1.00 0.00 H new ATOM 0 HG SER A 51 -3.377 -7.020 -13.550 1.00 0.00 H new ATOM 735 N ALA A 52 -3.975 -10.795 -10.722 1.00 0.00 N ATOM 736 CA ALA A 52 -3.741 -12.190 -10.293 1.00 0.00 C ATOM 737 C ALA A 52 -2.255 -12.418 -9.981 1.00 0.00 C ATOM 738 O ALA A 52 -1.414 -12.386 -10.879 1.00 0.00 O ATOM 739 CB ALA A 52 -4.215 -13.143 -11.395 1.00 0.00 C ATOM 0 H ALA A 52 -4.523 -10.728 -11.580 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.306 -12.386 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.044 -14.173 -11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.279 -12.990 -11.576 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.659 -12.945 -12.311 1.00 0.00 H new ATOM 745 N GLN A 53 -1.977 -12.271 -8.682 1.00 0.00 N ATOM 746 CA GLN A 53 -0.619 -12.220 -8.109 1.00 0.00 C ATOM 747 C GLN A 53 0.301 -11.218 -8.852 1.00 0.00 C ATOM 748 O GLN A 53 1.223 -11.590 -9.574 1.00 0.00 O ATOM 749 CB GLN A 53 -0.116 -13.667 -8.028 1.00 0.00 C ATOM 750 CG GLN A 53 1.314 -13.848 -7.506 1.00 0.00 C ATOM 751 CD GLN A 53 2.232 -14.428 -8.589 1.00 0.00 C ATOM 752 OE1 GLN A 53 1.835 -14.942 -9.625 1.00 0.00 O ATOM 753 NE2 GLN A 53 3.518 -14.385 -8.343 1.00 0.00 N ATOM 0 H GLN A 53 -2.708 -12.181 -7.976 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.620 -11.809 -7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.792 -14.231 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.179 -14.110 -9.022 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.705 -12.888 -7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.306 -14.510 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.858 -13.958 -7.481 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.179 -14.778 -9.013 1.00 0.00 H new ATOM 762 N GLY A 54 0.081 -9.926 -8.572 1.00 0.00 N ATOM 763 CA GLY A 54 0.819 -8.845 -9.258 1.00 0.00 C ATOM 764 C GLY A 54 0.296 -7.460 -8.875 1.00 0.00 C ATOM 765 O GLY A 54 -0.855 -7.122 -9.147 1.00 0.00 O ATOM 0 H GLY A 54 -0.596 -9.601 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.878 -8.914 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.736 -8.978 -10.337 1.00 0.00 H new ATOM 769 N ILE A 55 1.102 -6.789 -8.063 1.00 0.00 N ATOM 770 CA ILE A 55 0.805 -5.431 -7.576 1.00 0.00 C ATOM 771 C ILE A 55 1.794 -4.466 -8.236 1.00 0.00 C ATOM 772 O ILE A 55 3.006 -4.632 -8.134 1.00 0.00 O ATOM 773 CB ILE A 55 0.937 -5.377 -6.039 1.00 0.00 C ATOM 774 CG1 ILE A 55 0.108 -6.436 -5.294 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.735 -3.971 -5.471 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.363 -6.546 -5.706 1.00 0.00 C ATOM 0 H ILE A 55 1.985 -7.165 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.216 -5.150 -7.832 1.00 0.00 H new ATOM 0 HB ILE A 55 1.976 -5.645 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.580 -7.408 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.151 -6.218 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.840 -3.998 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.482 -3.298 -5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.262 -3.614 -5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.849 -7.323 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.862 -5.593 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.426 -6.801 -6.764 1.00 0.00 H new ATOM 788 N THR A 56 1.237 -3.385 -8.751 1.00 0.00 N ATOM 789 CA THR A 56 2.033 -2.366 -9.460 1.00 0.00 C ATOM 790 C THR A 56 1.644 -0.974 -8.957 1.00 0.00 C ATOM 791 O THR A 56 0.471 -0.693 -8.704 1.00 0.00 O ATOM 792 CB THR A 56 1.850 -2.510 -10.980 1.00 0.00 C ATOM 793 OG1 THR A 56 1.985 -3.891 -11.335 1.00 0.00 O ATOM 794 CG2 THR A 56 2.902 -1.707 -11.754 1.00 0.00 C ATOM 0 H THR A 56 0.239 -3.179 -8.699 1.00 0.00 H new ATOM 0 HA THR A 56 3.093 -2.511 -9.252 1.00 0.00 H new ATOM 0 HB THR A 56 0.862 -2.129 -11.239 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.868 -3.993 -12.303 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.741 -1.833 -12.825 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.816 -0.651 -11.496 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.898 -2.065 -11.492 1.00 0.00 H new ATOM 802 N LEU A 57 2.686 -0.205 -8.671 1.00 0.00 N ATOM 803 CA LEU A 57 2.592 1.160 -8.126 1.00 0.00 C ATOM 804 C LEU A 57 3.428 2.150 -8.939 1.00 0.00 C ATOM 805 O LEU A 57 4.658 2.108 -8.925 1.00 0.00 O ATOM 806 CB LEU A 57 3.026 1.134 -6.658 1.00 0.00 C ATOM 807 CG LEU A 57 1.974 0.398 -5.830 1.00 0.00 C ATOM 808 CD1 LEU A 57 2.610 -0.276 -4.615 1.00 0.00 C ATOM 809 CD2 LEU A 57 0.893 1.392 -5.410 1.00 0.00 C ATOM 0 H LEU A 57 3.648 -0.513 -8.812 1.00 0.00 H new ATOM 0 HA LEU A 57 1.559 1.503 -8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.992 0.639 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.151 2.151 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 57 1.521 -0.390 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.841 -0.793 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.359 -0.994 -4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.085 0.478 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.136 0.878 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.341 2.187 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.429 1.822 -6.298 1.00 0.00 H new ATOM 821 N THR A 58 2.706 2.874 -9.784 1.00 0.00 N ATOM 822 CA THR A 58 3.284 3.902 -10.674 1.00 0.00 C ATOM 823 C THR A 58 2.853 5.319 -10.277 1.00 0.00 C ATOM 824 O THR A 58 1.674 5.564 -10.024 1.00 0.00 O ATOM 825 CB THR A 58 2.929 3.648 -12.155 1.00 0.00 C ATOM 826 OG1 THR A 58 3.475 4.708 -12.946 1.00 0.00 O ATOM 827 CG2 THR A 58 1.430 3.470 -12.435 1.00 0.00 C ATOM 0 H THR A 58 1.696 2.773 -9.880 1.00 0.00 H new ATOM 0 HA THR A 58 4.365 3.826 -10.557 1.00 0.00 H new ATOM 0 HB THR A 58 3.372 2.690 -12.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.258 4.557 -13.890 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.277 3.297 -13.500 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.053 2.617 -11.871 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.894 4.370 -12.133 1.00 0.00 H new ATOM 835 N ASP A 59 3.824 6.227 -10.320 1.00 0.00 N ATOM 836 CA ASP A 59 3.598 7.668 -10.109 1.00 0.00 C ATOM 837 C ASP A 59 2.997 8.324 -11.360 1.00 0.00 C ATOM 838 O ASP A 59 3.723 8.619 -12.307 1.00 0.00 O ATOM 839 CB ASP A 59 4.921 8.336 -9.697 1.00 0.00 C ATOM 840 CG ASP A 59 4.949 9.873 -9.741 1.00 0.00 C ATOM 841 OD1 ASP A 59 3.869 10.500 -9.654 1.00 0.00 O ATOM 842 OD2 ASP A 59 6.062 10.415 -9.904 1.00 0.00 O ATOM 0 H ASP A 59 4.799 5.990 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 59 2.874 7.803 -9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.164 8.018 -8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.711 7.960 -10.347 1.00 0.00 H new ATOM 847 N ASN A 60 1.764 8.789 -11.189 1.00 0.00 N ATOM 848 CA ASN A 60 1.077 9.589 -12.221 1.00 0.00 C ATOM 849 C ASN A 60 0.939 11.081 -11.848 1.00 0.00 C ATOM 850 O ASN A 60 0.572 11.915 -12.668 1.00 0.00 O ATOM 851 CB ASN A 60 -0.291 8.970 -12.521 1.00 0.00 C ATOM 852 CG ASN A 60 -0.901 9.468 -13.837 1.00 0.00 C ATOM 853 OD1 ASN A 60 -0.345 10.227 -14.612 1.00 0.00 O ATOM 854 ND2 ASN A 60 -2.080 8.997 -14.152 1.00 0.00 N ATOM 0 H ASN A 60 1.211 8.630 -10.347 1.00 0.00 H new ATOM 0 HA ASN A 60 1.698 9.565 -13.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.191 7.885 -12.561 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.974 9.197 -11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.518 9.266 -15.033 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.561 8.361 -13.517 1.00 0.00 H new ATOM 861 N GLN A 61 1.353 11.428 -10.632 1.00 0.00 N ATOM 862 CA GLN A 61 1.330 12.819 -10.144 1.00 0.00 C ATOM 863 C GLN A 61 2.302 13.696 -10.957 1.00 0.00 C ATOM 864 O GLN A 61 1.908 14.722 -11.503 1.00 0.00 O ATOM 865 CB GLN A 61 1.687 12.834 -8.654 1.00 0.00 C ATOM 866 CG GLN A 61 1.652 14.261 -8.097 1.00 0.00 C ATOM 867 CD GLN A 61 2.437 14.416 -6.799 1.00 0.00 C ATOM 868 OE1 GLN A 61 3.242 13.587 -6.393 1.00 0.00 O ATOM 869 NE2 GLN A 61 2.224 15.529 -6.143 1.00 0.00 N ATOM 0 H GLN A 61 1.715 10.759 -9.952 1.00 0.00 H new ATOM 0 HA GLN A 61 0.330 13.234 -10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.987 12.207 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.680 12.407 -8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.056 14.946 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.616 14.552 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.550 16.208 -6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.732 15.717 -5.279 1.00 0.00 H new ATOM 983 N ARG A 67 8.594 2.810 -11.435 1.00 0.00 N ATOM 984 CA ARG A 67 7.411 2.045 -11.009 1.00 0.00 C ATOM 985 C ARG A 67 7.873 0.856 -10.170 1.00 0.00 C ATOM 986 O ARG A 67 8.970 0.326 -10.355 1.00 0.00 O ATOM 987 CB ARG A 67 6.626 1.549 -12.225 1.00 0.00 C ATOM 988 CG ARG A 67 6.314 2.682 -13.204 1.00 0.00 C ATOM 989 CD ARG A 67 5.550 2.130 -14.398 1.00 0.00 C ATOM 990 NE ARG A 67 5.612 3.098 -15.503 1.00 0.00 N ATOM 991 CZ ARG A 67 4.948 2.996 -16.655 1.00 0.00 C ATOM 992 NH1 ARG A 67 4.072 2.022 -16.865 1.00 0.00 N ATOM 993 NH2 ARG A 67 5.129 3.892 -17.609 1.00 0.00 N ATOM 0 HA ARG A 67 6.757 2.688 -10.420 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.199 0.775 -12.736 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.695 1.089 -11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.725 3.453 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.239 3.153 -13.537 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.978 1.177 -14.709 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.512 1.939 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 67 6.212 3.914 -15.378 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.894 1.330 -16.137 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.576 1.965 -17.755 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.779 4.665 -17.466 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.619 3.810 -18.489 1.00 0.00 H new ATOM 1007 N ARG A 68 7.008 0.489 -9.238 1.00 0.00 N ATOM 1008 CA ARG A 68 7.241 -0.649 -8.335 1.00 0.00 C ATOM 1009 C ARG A 68 6.276 -1.801 -8.644 1.00 0.00 C ATOM 1010 O ARG A 68 5.113 -1.579 -8.981 1.00 0.00 O ATOM 1011 CB ARG A 68 7.063 -0.196 -6.882 1.00 0.00 C ATOM 1012 CG ARG A 68 8.135 0.786 -6.386 1.00 0.00 C ATOM 1013 CD ARG A 68 9.400 0.124 -5.822 1.00 0.00 C ATOM 1014 NE ARG A 68 10.394 -0.250 -6.848 1.00 0.00 N ATOM 1015 CZ ARG A 68 10.509 -1.429 -7.467 1.00 0.00 C ATOM 1016 NH1 ARG A 68 9.661 -2.426 -7.257 1.00 0.00 N ATOM 1017 NH2 ARG A 68 11.498 -1.628 -8.327 1.00 0.00 N ATOM 0 H ARG A 68 6.121 0.966 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 68 8.259 -1.008 -8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.084 0.271 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.067 -1.075 -6.237 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.420 1.439 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.698 1.420 -5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.867 0.805 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.113 -0.769 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 68 11.066 0.470 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.887 -2.308 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.783 -3.311 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.168 -0.883 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.589 -2.527 -8.801 1.00 0.00 H new ATOM 1031 N HIS A 69 6.811 -3.011 -8.521 1.00 0.00 N ATOM 1032 CA HIS A 69 6.065 -4.267 -8.737 1.00 0.00 C ATOM 1033 C HIS A 69 6.259 -5.245 -7.568 1.00 0.00 C ATOM 1034 O HIS A 69 7.364 -5.694 -7.274 1.00 0.00 O ATOM 1035 CB HIS A 69 6.378 -4.915 -10.097 1.00 0.00 C ATOM 1036 CG HIS A 69 7.874 -5.123 -10.397 1.00 0.00 C ATOM 1037 ND1 HIS A 69 8.640 -4.291 -11.091 1.00 0.00 N ATOM 1038 CD2 HIS A 69 8.633 -6.123 -9.967 1.00 0.00 C ATOM 1039 CE1 HIS A 69 9.886 -4.768 -11.070 1.00 0.00 C ATOM 1040 NE2 HIS A 69 9.881 -5.896 -10.372 1.00 0.00 N ATOM 0 H HIS A 69 7.787 -3.160 -8.265 1.00 0.00 H new ATOM 0 HA HIS A 69 5.007 -4.005 -8.766 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.877 -5.882 -10.144 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.949 -4.295 -10.884 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.297 -6.972 -9.390 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.747 -4.315 -11.539 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.691 -6.486 -10.179 1.00 0.00 H new ATOM 1048 N TYR A 70 5.190 -5.391 -6.802 1.00 0.00 N ATOM 1049 CA TYR A 70 5.133 -6.274 -5.625 1.00 0.00 C ATOM 1050 C TYR A 70 4.237 -7.498 -5.887 1.00 0.00 C ATOM 1051 O TYR A 70 3.036 -7.346 -6.082 1.00 0.00 O ATOM 1052 CB TYR A 70 4.648 -5.498 -4.396 1.00 0.00 C ATOM 1053 CG TYR A 70 5.690 -4.466 -3.968 1.00 0.00 C ATOM 1054 CD1 TYR A 70 6.824 -4.892 -3.285 1.00 0.00 C ATOM 1055 CD2 TYR A 70 5.527 -3.120 -4.274 1.00 0.00 C ATOM 1056 CE1 TYR A 70 7.792 -3.980 -2.904 1.00 0.00 C ATOM 1057 CE2 TYR A 70 6.493 -2.205 -3.888 1.00 0.00 C ATOM 1058 CZ TYR A 70 7.621 -2.632 -3.194 1.00 0.00 C ATOM 1059 OH TYR A 70 8.536 -1.731 -2.763 1.00 0.00 O ATOM 0 H TYR A 70 4.316 -4.894 -6.975 1.00 0.00 H new ATOM 0 HA TYR A 70 6.141 -6.639 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.706 -4.999 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.454 -6.189 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.949 -5.939 -3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.650 -2.789 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.677 -4.315 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.370 -1.159 -4.126 1.00 0.00 H new ATOM 0 HH TYR A 70 8.080 -0.911 -2.480 1.00 0.00 H new ATOM 1069 N PRO A 71 4.812 -8.691 -6.065 1.00 0.00 N ATOM 1070 CA PRO A 71 4.007 -9.912 -6.272 1.00 0.00 C ATOM 1071 C PRO A 71 3.223 -10.295 -5.008 1.00 0.00 C ATOM 1072 O PRO A 71 3.605 -9.950 -3.894 1.00 0.00 O ATOM 1073 CB PRO A 71 5.016 -10.974 -6.711 1.00 0.00 C ATOM 1074 CG PRO A 71 6.348 -10.506 -6.122 1.00 0.00 C ATOM 1075 CD PRO A 71 6.258 -8.979 -6.115 1.00 0.00 C ATOM 0 HA PRO A 71 3.232 -9.781 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.742 -11.960 -6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.067 -11.048 -7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.495 -10.898 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.189 -10.850 -6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.776 -8.555 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.717 -8.551 -7.006 1.00 0.00 H new ATOM 1083 N LEU A 72 2.163 -11.083 -5.177 1.00 0.00 N ATOM 1084 CA LEU A 72 1.388 -11.602 -4.023 1.00 0.00 C ATOM 1085 C LEU A 72 2.158 -12.612 -3.155 1.00 0.00 C ATOM 1086 O LEU A 72 1.810 -12.856 -2.006 1.00 0.00 O ATOM 1087 CB LEU A 72 0.030 -12.177 -4.441 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.115 -11.155 -4.434 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -0.871 -9.993 -5.393 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -2.424 -11.843 -4.817 1.00 0.00 C ATOM 0 H LEU A 72 1.814 -11.381 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 72 1.212 -10.726 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.119 -12.599 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.226 -12.998 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.171 -10.749 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.712 -9.301 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.043 -9.472 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.770 -10.375 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.234 -11.114 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.331 -12.273 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.643 -12.634 -4.100 1.00 0.00 H new ATOM 1102 N ASN A 73 3.323 -13.006 -3.667 1.00 0.00 N ATOM 1103 CA ASN A 73 4.265 -13.888 -2.963 1.00 0.00 C ATOM 1104 C ASN A 73 5.097 -13.127 -1.911 1.00 0.00 C ATOM 1105 O ASN A 73 5.981 -13.700 -1.283 1.00 0.00 O ATOM 1106 CB ASN A 73 5.175 -14.536 -4.007 1.00 0.00 C ATOM 1107 CG ASN A 73 5.666 -15.884 -3.483 1.00 0.00 C ATOM 1108 OD1 ASN A 73 6.788 -16.059 -3.035 1.00 0.00 O ATOM 1109 ND2 ASN A 73 4.802 -16.870 -3.576 1.00 0.00 N ATOM 0 H ASN A 73 3.647 -12.721 -4.591 1.00 0.00 H new ATOM 0 HA ASN A 73 3.704 -14.648 -2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.634 -14.672 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.023 -13.885 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 73 5.063 -17.807 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.870 -16.698 -3.954 1.00 0.00 H new ATOM 1116 N THR A 74 4.885 -11.812 -1.863 1.00 0.00 N ATOM 1117 CA THR A 74 5.586 -10.895 -0.948 1.00 0.00 C ATOM 1118 C THR A 74 4.594 -10.182 -0.021 1.00 0.00 C ATOM 1119 O THR A 74 4.756 -10.248 1.192 1.00 0.00 O ATOM 1120 CB THR A 74 6.466 -9.876 -1.696 1.00 0.00 C ATOM 1121 OG1 THR A 74 5.672 -8.931 -2.416 1.00 0.00 O ATOM 1122 CG2 THR A 74 7.444 -10.559 -2.654 1.00 0.00 C ATOM 0 H THR A 74 4.211 -11.341 -2.467 1.00 0.00 H new ATOM 0 HA THR A 74 6.254 -11.505 -0.340 1.00 0.00 H new ATOM 0 HB THR A 74 7.042 -9.349 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.967 -9.403 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.045 -9.804 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.098 -11.226 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.887 -11.135 -3.393 1.00 0.00 H new ATOM 1130 N VAL A 75 3.537 -9.603 -0.592 1.00 0.00 N ATOM 1131 CA VAL A 75 2.491 -8.877 0.155 1.00 0.00 C ATOM 1132 C VAL A 75 1.598 -9.849 0.960 1.00 0.00 C ATOM 1133 O VAL A 75 0.476 -10.184 0.588 1.00 0.00 O ATOM 1134 CB VAL A 75 1.760 -7.917 -0.813 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.972 -8.595 -1.941 1.00 0.00 C ATOM 1136 CG2 VAL A 75 0.868 -6.936 -0.058 1.00 0.00 C ATOM 0 H VAL A 75 3.375 -9.621 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 75 2.924 -8.244 0.929 1.00 0.00 H new ATOM 0 HB VAL A 75 2.566 -7.376 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.498 -7.835 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.650 -9.191 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.207 -9.242 -1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.370 -6.276 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.120 -7.488 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.476 -6.342 0.624 1.00 0.00 H new ATOM 1146 N THR A 76 2.171 -10.316 2.063 1.00 0.00 N ATOM 1147 CA THR A 76 1.544 -11.319 2.953 1.00 0.00 C ATOM 1148 C THR A 76 0.331 -10.715 3.673 1.00 0.00 C ATOM 1149 O THR A 76 -0.817 -11.097 3.455 1.00 0.00 O ATOM 1150 CB THR A 76 2.546 -11.929 3.960 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.002 -10.965 4.916 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.754 -12.558 3.263 1.00 0.00 C ATOM 0 H THR A 76 3.093 -10.014 2.379 1.00 0.00 H new ATOM 0 HA THR A 76 1.203 -12.140 2.323 1.00 0.00 H new ATOM 0 HB THR A 76 1.998 -12.712 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.632 -11.390 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.430 -12.973 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.417 -13.353 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.277 -11.797 2.684 1.00 0.00 H new ATOM 1160 N PHE A 77 0.628 -9.671 4.436 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.341 -8.931 5.248 1.00 0.00 C ATOM 1162 C PHE A 77 -0.495 -7.532 4.659 1.00 0.00 C ATOM 1163 O PHE A 77 0.462 -6.764 4.661 1.00 0.00 O ATOM 1164 CB PHE A 77 0.237 -8.794 6.654 1.00 0.00 C ATOM 1165 CG PHE A 77 -0.839 -8.948 7.709 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -1.725 -7.917 7.996 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -0.898 -10.148 8.405 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.674 -8.090 8.988 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -1.850 -10.323 9.388 1.00 0.00 C ATOM 1170 CZ PHE A 77 -2.743 -9.294 9.684 1.00 0.00 C ATOM 0 H PHE A 77 1.576 -9.302 4.512 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.302 -9.444 5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.010 -9.548 6.807 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.716 -7.821 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.673 -6.987 7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.201 -10.941 8.178 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.362 -7.291 9.223 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.904 -11.257 9.928 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.488 -9.431 10.453 1.00 0.00 H new ATOM 1180 N CYS A 78 -1.723 -7.232 4.262 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.097 -5.961 3.615 1.00 0.00 C ATOM 1182 C CYS A 78 -3.443 -5.463 4.146 1.00 0.00 C ATOM 1183 O CYS A 78 -4.516 -5.861 3.699 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.084 -6.120 2.089 1.00 0.00 C ATOM 1185 SG CYS A 78 -2.706 -7.730 1.474 1.00 0.00 S ATOM 0 H CYS A 78 -2.510 -7.870 4.378 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.360 -5.197 3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.685 -5.324 1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.063 -5.982 1.733 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.275 -7.928 0.264 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.323 -4.722 5.240 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.474 -4.186 5.981 1.00 0.00 C ATOM 1193 C ASP A 79 -4.245 -2.730 6.398 1.00 0.00 C ATOM 1194 O ASP A 79 -3.134 -2.203 6.310 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.852 -5.059 7.189 1.00 0.00 C ATOM 1196 CG ASP A 79 -5.570 -6.375 6.846 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -6.242 -6.444 5.796 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -5.512 -7.266 7.718 1.00 0.00 O ATOM 0 H ASP A 79 -2.422 -4.470 5.646 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.322 -4.208 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.945 -5.293 7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.492 -4.477 7.852 1.00 0.00 H new ATOM 1203 N LEU A 80 -5.347 -2.086 6.767 1.00 0.00 N ATOM 1204 CA LEU A 80 -5.330 -0.711 7.303 1.00 0.00 C ATOM 1205 C LEU A 80 -4.500 -0.646 8.579 1.00 0.00 C ATOM 1206 O LEU A 80 -4.131 -1.666 9.163 1.00 0.00 O ATOM 1207 CB LEU A 80 -6.765 -0.231 7.570 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.462 0.490 6.404 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -6.961 1.924 6.261 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -7.236 -0.227 5.082 1.00 0.00 C ATOM 0 H LEU A 80 -6.280 -2.493 6.707 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.873 -0.053 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.369 -1.094 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.749 0.440 8.429 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.526 0.490 6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.473 2.407 5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.164 2.474 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.887 1.917 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.744 0.313 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.168 -0.269 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.634 -1.240 5.145 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.142 0.574 8.947 1.00 0.00 N ATOM 1223 CA ASP A 81 -3.398 0.776 10.191 1.00 0.00 C ATOM 1224 C ASP A 81 -4.197 0.275 11.418 1.00 0.00 C ATOM 1225 O ASP A 81 -5.304 0.763 11.651 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.021 2.251 10.287 1.00 0.00 C ATOM 1227 CG ASP A 81 -2.247 2.493 11.578 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -1.236 1.800 11.808 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -2.874 3.127 12.436 1.00 0.00 O ATOM 0 H ASP A 81 -4.346 1.424 8.421 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.484 0.182 10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.416 2.540 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.919 2.869 10.267 1.00 0.00 H new ATOM 1234 N PRO A 82 -3.590 -0.594 12.243 1.00 0.00 N ATOM 1235 CA PRO A 82 -4.201 -1.087 13.493 1.00 0.00 C ATOM 1236 C PRO A 82 -4.342 -0.016 14.588 1.00 0.00 C ATOM 1237 O PRO A 82 -5.034 -0.228 15.578 1.00 0.00 O ATOM 1238 CB PRO A 82 -3.323 -2.264 13.923 1.00 0.00 C ATOM 1239 CG PRO A 82 -1.946 -1.900 13.378 1.00 0.00 C ATOM 1240 CD PRO A 82 -2.251 -1.193 12.059 1.00 0.00 C ATOM 0 HA PRO A 82 -5.235 -1.388 13.324 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -3.308 -2.378 15.007 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.683 -3.206 13.508 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.403 -1.250 14.064 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.330 -2.786 13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.505 -0.430 11.839 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.244 -1.895 11.225 1.00 0.00 H new ATOM 1248 N GLN A 83 -3.705 1.133 14.377 1.00 0.00 N ATOM 1249 CA GLN A 83 -3.810 2.315 15.253 1.00 0.00 C ATOM 1250 C GLN A 83 -4.735 3.420 14.708 1.00 0.00 C ATOM 1251 O GLN A 83 -4.582 4.590 15.053 1.00 0.00 O ATOM 1252 CB GLN A 83 -2.395 2.872 15.465 1.00 0.00 C ATOM 1253 CG GLN A 83 -1.659 2.178 16.611 1.00 0.00 C ATOM 1254 CD GLN A 83 -2.350 2.392 17.962 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -3.148 3.289 18.194 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -2.061 1.525 18.900 1.00 0.00 N ATOM 0 H GLN A 83 -3.087 1.280 13.579 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.264 1.993 16.190 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.821 2.756 14.546 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.456 3.941 15.671 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.594 1.110 16.404 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.638 2.555 16.664 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.396 0.774 18.713 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.501 1.600 19.817 1.00 0.00 H new ATOM 1265 N GLU A 84 -5.648 3.046 13.801 1.00 0.00 N ATOM 1266 CA GLU A 84 -6.616 3.976 13.174 1.00 0.00 C ATOM 1267 C GLU A 84 -6.001 5.320 12.735 1.00 0.00 C ATOM 1268 O GLU A 84 -6.472 6.411 13.059 1.00 0.00 O ATOM 1269 CB GLU A 84 -7.829 4.186 14.089 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.010 3.338 13.621 1.00 0.00 C ATOM 1271 CD GLU A 84 -10.284 4.186 13.616 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -10.461 4.926 12.622 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -11.091 4.014 14.553 1.00 0.00 O ATOM 0 H GLU A 84 -5.742 2.084 13.475 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.944 3.498 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.568 3.922 15.114 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.110 5.239 14.093 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.817 2.948 12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.136 2.478 14.279 1.00 0.00 H new ATOM 1280 N ARG A 85 -4.851 5.193 12.091 1.00 0.00 N ATOM 1281 CA ARG A 85 -4.096 6.349 11.591 1.00 0.00 C ATOM 1282 C ARG A 85 -4.571 6.714 10.190 1.00 0.00 C ATOM 1283 O ARG A 85 -5.115 5.893 9.442 1.00 0.00 O ATOM 1284 CB ARG A 85 -2.590 6.106 11.536 1.00 0.00 C ATOM 1285 CG ARG A 85 -1.895 6.011 12.887 1.00 0.00 C ATOM 1286 CD ARG A 85 -0.671 6.928 12.872 1.00 0.00 C ATOM 1287 NE ARG A 85 -1.008 8.205 13.526 1.00 0.00 N ATOM 1288 CZ ARG A 85 -1.169 8.369 14.843 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -1.020 7.357 15.688 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -1.485 9.552 15.343 1.00 0.00 N ATOM 0 H ARG A 85 -4.410 4.294 11.897 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.280 7.159 12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.408 5.182 10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.129 6.912 10.965 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.577 6.304 13.685 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.595 4.982 13.086 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.161 6.450 13.389 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.349 7.106 11.846 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.127 9.024 12.930 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.778 6.431 15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.148 7.505 16.689 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.609 10.352 14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.605 9.665 16.350 1.00 0.00 H new ATOM 1304 N LYS A 86 -4.214 7.934 9.818 1.00 0.00 N ATOM 1305 CA LYS A 86 -4.607 8.528 8.532 1.00 0.00 C ATOM 1306 C LYS A 86 -3.521 9.526 8.112 1.00 0.00 C ATOM 1307 O LYS A 86 -2.787 10.047 8.949 1.00 0.00 O ATOM 1308 CB LYS A 86 -5.958 9.240 8.669 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.074 8.351 9.223 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.368 9.111 9.473 1.00 0.00 C ATOM 1311 CE LYS A 86 -9.216 8.311 10.458 1.00 0.00 C ATOM 1312 NZ LYS A 86 -10.525 8.948 10.626 1.00 0.00 N ATOM 0 H LYS A 86 -3.641 8.549 10.396 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.710 7.749 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.838 10.104 9.322 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.259 9.618 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.266 7.538 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.740 7.896 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.154 10.102 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.909 9.256 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.343 7.291 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.707 8.247 11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.096 8.397 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.397 9.913 10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.013 8.987 9.708 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.347 9.611 6.802 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.405 10.546 6.163 1.00 0.00 C ATOM 1328 C TRP A 87 -3.024 11.085 4.861 1.00 0.00 C ATOM 1329 O TRP A 87 -3.989 11.849 4.932 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.040 9.871 5.951 1.00 0.00 C ATOM 1331 CG TRP A 87 0.059 10.816 5.425 1.00 0.00 C ATOM 1332 CD1 TRP A 87 -0.068 11.972 4.763 1.00 0.00 C ATOM 1333 CD2 TRP A 87 1.409 10.542 5.468 1.00 0.00 C ATOM 1334 NE1 TRP A 87 1.122 12.408 4.366 1.00 0.00 N ATOM 1335 CE2 TRP A 87 2.047 11.551 4.756 1.00 0.00 C ATOM 1336 CE3 TRP A 87 2.153 9.539 6.068 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 3.423 11.540 4.606 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 3.529 9.552 5.941 1.00 0.00 C ATOM 1339 CH2 TRP A 87 4.170 10.541 5.207 1.00 0.00 C ATOM 0 H TRP A 87 -3.857 9.030 6.136 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.223 11.402 6.813 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.710 9.439 6.896 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.161 9.046 5.249 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -1.004 12.478 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 87 1.294 13.267 3.844 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.663 8.756 6.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.912 12.307 4.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.115 8.781 6.420 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.245 10.531 5.105 1.00 0.00 H new ATOM 1437 N PRO A 95 -7.441 13.833 7.285 1.00 0.00 N ATOM 1438 CA PRO A 95 -6.488 12.888 6.686 1.00 0.00 C ATOM 1439 C PRO A 95 -7.239 11.650 6.178 1.00 0.00 C ATOM 1440 O PRO A 95 -8.353 11.346 6.606 1.00 0.00 O ATOM 1441 CB PRO A 95 -5.485 12.611 7.805 1.00 0.00 C ATOM 1442 CG PRO A 95 -6.312 12.746 9.082 1.00 0.00 C ATOM 1443 CD PRO A 95 -7.309 13.858 8.757 1.00 0.00 C ATOM 0 HA PRO A 95 -5.965 13.263 5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.050 11.616 7.714 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.659 13.323 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.820 11.814 9.330 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.688 13.006 9.937 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.269 13.682 9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.948 14.826 9.105 1.00 0.00 H new ATOM 1451 N ALA A 96 -6.637 10.980 5.210 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.266 9.792 4.623 1.00 0.00 C ATOM 1453 C ALA A 96 -6.576 8.535 5.135 1.00 0.00 C ATOM 1454 O ALA A 96 -5.350 8.473 5.250 1.00 0.00 O ATOM 1455 CB ALA A 96 -7.216 9.857 3.105 1.00 0.00 C ATOM 0 H ALA A 96 -5.730 11.226 4.814 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.313 9.761 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.687 8.967 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.747 10.745 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.178 9.906 2.777 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.439 7.606 5.529 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.050 6.292 6.067 1.00 0.00 C ATOM 1463 C LYS A 97 -5.916 5.664 5.257 1.00 0.00 C ATOM 1464 O LYS A 97 -5.969 5.563 4.026 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.251 5.344 6.139 1.00 0.00 C ATOM 1466 CG LYS A 97 -8.967 5.143 4.795 1.00 0.00 C ATOM 1467 CD LYS A 97 -10.389 5.697 4.839 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.307 4.736 5.595 1.00 0.00 C ATOM 1469 NZ LYS A 97 -12.543 5.417 5.990 1.00 0.00 N ATOM 0 H LYS A 97 -8.449 7.740 5.486 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.684 6.456 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.915 4.375 6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.965 5.732 6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.405 5.638 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.995 4.081 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.392 6.673 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.761 5.845 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.542 3.877 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.796 4.354 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.157 4.752 6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.314 6.222 6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.037 5.760 5.141 1.00 0.00 H new ATOM 1483 N LEU A 98 -4.841 5.444 5.992 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.639 4.859 5.404 1.00 0.00 C ATOM 1485 C LEU A 98 -3.460 3.422 5.903 1.00 0.00 C ATOM 1486 O LEU A 98 -3.875 3.034 6.997 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.438 5.806 5.605 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.536 5.714 6.833 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.336 5.682 8.120 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -0.599 4.525 6.707 1.00 0.00 C ATOM 0 H LEU A 98 -4.770 5.657 6.987 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.730 4.763 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.795 5.689 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.830 6.823 5.578 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.927 6.617 6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.656 5.616 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.931 6.592 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.997 4.815 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.039 4.470 7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.183 3.609 6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.020 4.642 5.818 1.00 0.00 H new ATOM 1502 N PHE A 99 -2.859 2.654 5.019 1.00 0.00 N ATOM 1503 CA PHE A 99 -2.602 1.225 5.203 1.00 0.00 C ATOM 1504 C PHE A 99 -1.178 0.880 4.763 1.00 0.00 C ATOM 1505 O PHE A 99 -0.565 1.574 3.946 1.00 0.00 O ATOM 1506 CB PHE A 99 -3.644 0.429 4.411 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.484 0.541 2.899 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -3.847 1.701 2.226 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -2.984 -0.548 2.198 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -3.731 1.768 0.849 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.853 -0.477 0.824 1.00 0.00 C ATOM 1512 CZ PHE A 99 -3.227 0.680 0.145 1.00 0.00 C ATOM 0 H PHE A 99 -2.523 3.009 4.124 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.687 0.963 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.580 -0.621 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.640 0.775 4.688 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.220 2.551 2.778 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.699 -1.447 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.031 2.662 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.460 -1.320 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.126 0.732 -0.929 1.00 0.00 H new ATOM 1522 N GLY A 100 -0.704 -0.191 5.396 1.00 0.00 N ATOM 1523 CA GLY A 100 0.630 -0.744 5.153 1.00 0.00 C ATOM 1524 C GLY A 100 0.584 -2.264 5.022 1.00 0.00 C ATOM 1525 O GLY A 100 -0.282 -2.931 5.593 1.00 0.00 O ATOM 0 H GLY A 100 -1.237 -0.705 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.046 -0.311 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.295 -0.467 5.971 1.00 0.00 H new ATOM 1529 N PHE A 101 1.530 -2.763 4.244 1.00 0.00 N ATOM 1530 CA PHE A 101 1.715 -4.209 4.068 1.00 0.00 C ATOM 1531 C PHE A 101 3.169 -4.649 4.245 1.00 0.00 C ATOM 1532 O PHE A 101 4.094 -3.890 3.956 1.00 0.00 O ATOM 1533 CB PHE A 101 1.177 -4.665 2.708 1.00 0.00 C ATOM 1534 CG PHE A 101 1.855 -4.027 1.509 1.00 0.00 C ATOM 1535 CD1 PHE A 101 3.133 -4.427 1.128 1.00 0.00 C ATOM 1536 CD2 PHE A 101 1.173 -3.053 0.792 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.739 -3.838 0.037 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.773 -2.477 -0.308 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.059 -2.861 -0.688 1.00 0.00 C ATOM 0 H PHE A 101 2.190 -2.190 3.718 1.00 0.00 H new ATOM 0 HA PHE A 101 1.141 -4.693 4.858 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.284 -5.747 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.110 -4.447 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.648 -5.196 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.181 -2.749 1.093 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.736 -4.133 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.245 -1.726 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.528 -2.401 -1.545 1.00 0.00 H new ATOM 1549 N VAL A 102 3.314 -5.919 4.600 1.00 0.00 N ATOM 1550 CA VAL A 102 4.634 -6.571 4.724 1.00 0.00 C ATOM 1551 C VAL A 102 4.976 -7.458 3.524 1.00 0.00 C ATOM 1552 O VAL A 102 4.294 -8.437 3.235 1.00 0.00 O ATOM 1553 CB VAL A 102 4.837 -7.325 6.046 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.973 -6.297 7.154 1.00 0.00 C ATOM 1555 CG2 VAL A 102 3.714 -8.297 6.413 1.00 0.00 C ATOM 0 H VAL A 102 2.529 -6.535 4.812 1.00 0.00 H new ATOM 0 HA VAL A 102 5.342 -5.742 4.733 1.00 0.00 H new ATOM 0 HB VAL A 102 5.730 -7.938 5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.119 -6.806 8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.830 -5.655 6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.068 -5.691 7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.947 -8.781 7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.776 -7.750 6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.618 -9.053 5.634 1.00 0.00 H new ATOM 1565 N ALA A 103 5.960 -6.967 2.781 1.00 0.00 N ATOM 1566 CA ALA A 103 6.469 -7.635 1.572 1.00 0.00 C ATOM 1567 C ALA A 103 7.631 -8.584 1.900 1.00 0.00 C ATOM 1568 O ALA A 103 8.745 -8.161 2.217 1.00 0.00 O ATOM 1569 CB ALA A 103 6.863 -6.595 0.518 1.00 0.00 C ATOM 0 H ALA A 103 6.435 -6.090 2.995 1.00 0.00 H new ATOM 0 HA ALA A 103 5.670 -8.250 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.238 -7.102 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.991 -5.996 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.641 -5.946 0.920 1.00 0.00 H new ATOM 1575 N ARG A 104 7.272 -9.861 1.925 1.00 0.00 N ATOM 1576 CA ARG A 104 8.160 -11.005 2.177 1.00 0.00 C ATOM 1577 C ARG A 104 8.551 -11.652 0.846 1.00 0.00 C ATOM 1578 O ARG A 104 7.843 -12.465 0.263 1.00 0.00 O ATOM 1579 CB ARG A 104 7.429 -11.953 3.139 1.00 0.00 C ATOM 1580 CG ARG A 104 8.085 -13.304 3.433 1.00 0.00 C ATOM 1581 CD ARG A 104 7.402 -14.355 2.562 1.00 0.00 C ATOM 1582 NE ARG A 104 7.226 -15.598 3.321 1.00 0.00 N ATOM 1583 CZ ARG A 104 6.535 -16.664 2.910 1.00 0.00 C ATOM 1584 NH1 ARG A 104 5.990 -16.735 1.700 1.00 0.00 N ATOM 1585 NH2 ARG A 104 6.409 -17.700 3.719 1.00 0.00 N ATOM 0 H ARG A 104 6.307 -10.149 1.763 1.00 0.00 H new ATOM 0 HA ARG A 104 9.097 -10.708 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 104 7.293 -11.432 4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.435 -12.143 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.153 -13.265 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 104 7.982 -13.557 4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.434 -13.986 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.000 -14.545 1.671 1.00 0.00 H new ATOM 0 HE ARG A 104 7.668 -15.652 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.093 -15.957 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.469 -17.567 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.837 -17.679 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.884 -18.521 3.418 1.00 0.00 H new ATOM 1684 N ASP A 111 13.914 -9.951 6.800 1.00 0.00 N ATOM 1685 CA ASP A 111 14.109 -8.636 6.152 1.00 0.00 C ATOM 1686 C ASP A 111 12.958 -8.283 5.201 1.00 0.00 C ATOM 1687 O ASP A 111 12.945 -8.654 4.031 1.00 0.00 O ATOM 1688 CB ASP A 111 15.489 -8.556 5.475 1.00 0.00 C ATOM 1689 CG ASP A 111 15.894 -9.861 4.779 1.00 0.00 C ATOM 1690 OD1 ASP A 111 15.262 -10.197 3.756 1.00 0.00 O ATOM 1691 OD2 ASP A 111 16.683 -10.608 5.395 1.00 0.00 O ATOM 0 HA ASP A 111 14.091 -7.874 6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 111 15.482 -7.748 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 111 16.240 -8.302 6.223 1.00 0.00 H new ATOM 1696 N ASN A 112 11.893 -7.786 5.814 1.00 0.00 N ATOM 1697 CA ASN A 112 10.696 -7.319 5.092 1.00 0.00 C ATOM 1698 C ASN A 112 10.557 -5.799 5.091 1.00 0.00 C ATOM 1699 O ASN A 112 10.969 -5.120 6.037 1.00 0.00 O ATOM 1700 CB ASN A 112 9.435 -7.923 5.709 1.00 0.00 C ATOM 1701 CG ASN A 112 9.046 -9.265 5.093 1.00 0.00 C ATOM 1702 OD1 ASN A 112 7.873 -9.510 4.875 1.00 0.00 O ATOM 1703 ND2 ASN A 112 10.001 -10.127 4.798 1.00 0.00 N ATOM 0 H ASN A 112 11.825 -7.691 6.827 1.00 0.00 H new ATOM 0 HA ASN A 112 10.816 -7.647 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 112 9.589 -8.054 6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 112 8.609 -7.223 5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.765 -11.025 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 112 10.975 -9.895 4.992 1.00 0.00 H new ATOM 1710 N VAL A 113 9.875 -5.330 4.052 1.00 0.00 N ATOM 1711 CA VAL A 113 9.557 -3.904 3.908 1.00 0.00 C ATOM 1712 C VAL A 113 8.054 -3.687 4.131 1.00 0.00 C ATOM 1713 O VAL A 113 7.229 -4.512 3.733 1.00 0.00 O ATOM 1714 CB VAL A 113 10.108 -3.408 2.556 1.00 0.00 C ATOM 1715 CG1 VAL A 113 9.097 -3.182 1.418 1.00 0.00 C ATOM 1716 CG2 VAL A 113 10.974 -2.178 2.816 1.00 0.00 C ATOM 0 H VAL A 113 9.528 -5.915 3.292 1.00 0.00 H new ATOM 0 HA VAL A 113 10.044 -3.294 4.669 1.00 0.00 H new ATOM 0 HB VAL A 113 10.694 -4.234 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.622 -2.834 0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.585 -4.118 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.366 -2.433 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.375 -1.809 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.370 -1.400 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.796 -2.446 3.480 1.00 0.00 H new ATOM 1726 N CYS A 114 7.753 -2.594 4.816 1.00 0.00 N ATOM 1727 CA CYS A 114 6.355 -2.215 5.041 1.00 0.00 C ATOM 1728 C CYS A 114 6.052 -0.895 4.330 1.00 0.00 C ATOM 1729 O CYS A 114 6.694 0.124 4.572 1.00 0.00 O ATOM 1730 CB CYS A 114 6.080 -2.157 6.540 1.00 0.00 C ATOM 1731 SG CYS A 114 4.314 -2.426 6.932 1.00 0.00 S ATOM 0 H CYS A 114 8.441 -1.959 5.222 1.00 0.00 H new ATOM 0 HA CYS A 114 5.685 -2.963 4.617 1.00 0.00 H new ATOM 0 HB2 CYS A 114 6.682 -2.911 7.047 1.00 0.00 H new ATOM 0 HB3 CYS A 114 6.392 -1.187 6.927 1.00 0.00 H new ATOM 0 HG CYS A 114 4.208 -3.335 7.855 1.00 0.00 H new ATOM 1737 N HIS A 115 5.362 -1.062 3.211 1.00 0.00 N ATOM 1738 CA HIS A 115 4.950 0.078 2.378 1.00 0.00 C ATOM 1739 C HIS A 115 3.754 0.811 2.977 1.00 0.00 C ATOM 1740 O HIS A 115 2.900 0.194 3.602 1.00 0.00 O ATOM 1741 CB HIS A 115 4.603 -0.389 0.973 1.00 0.00 C ATOM 1742 CG HIS A 115 5.624 0.139 -0.037 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.321 1.259 0.066 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.915 -0.427 -1.197 1.00 0.00 C ATOM 1745 CE1 HIS A 115 7.041 1.388 -1.048 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.801 0.343 -1.831 1.00 0.00 N ATOM 0 H HIS A 115 5.072 -1.972 2.852 1.00 0.00 H new ATOM 0 HA HIS A 115 5.792 0.770 2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.581 -1.478 0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.605 -0.042 0.705 1.00 0.00 H new ATOM 0 HD1 HIS A 115 6.309 1.906 0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 115 5.505 -1.355 -1.568 1.00 0.00 H new ATOM 0 HE1 HIS A 115 7.708 2.206 -1.276 1.00 0.00 H new ATOM 1754 N LEU A 116 3.783 2.128 2.831 1.00 0.00 N ATOM 1755 CA LEU A 116 2.699 2.985 3.324 1.00 0.00 C ATOM 1756 C LEU A 116 1.958 3.668 2.184 1.00 0.00 C ATOM 1757 O LEU A 116 2.562 4.150 1.223 1.00 0.00 O ATOM 1758 CB LEU A 116 3.234 4.020 4.321 1.00 0.00 C ATOM 1759 CG LEU A 116 3.515 3.495 5.734 1.00 0.00 C ATOM 1760 CD1 LEU A 116 2.298 2.784 6.297 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.712 2.555 5.799 1.00 0.00 C ATOM 0 H LEU A 116 4.543 2.633 2.376 1.00 0.00 H new ATOM 0 HA LEU A 116 1.985 2.344 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.155 4.442 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.514 4.835 4.392 1.00 0.00 H new ATOM 0 HG LEU A 116 3.751 4.374 6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.521 2.420 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.459 3.478 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.039 1.942 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.856 2.220 6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.532 1.692 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.605 3.079 5.460 1.00 0.00 H new ATOM 1773 N PHE A 117 0.644 3.582 2.306 1.00 0.00 N ATOM 1774 CA PHE A 117 -0.294 4.116 1.309 1.00 0.00 C ATOM 1775 C PHE A 117 -1.553 4.643 1.974 1.00 0.00 C ATOM 1776 O PHE A 117 -1.964 4.137 3.010 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.715 3.005 0.353 1.00 0.00 C ATOM 1778 CG PHE A 117 0.458 2.553 -0.499 1.00 0.00 C ATOM 1779 CD1 PHE A 117 0.947 3.428 -1.455 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.049 1.311 -0.305 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.028 3.069 -2.229 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.138 0.959 -1.082 1.00 0.00 C ATOM 1783 CZ PHE A 117 2.638 1.839 -2.037 1.00 0.00 C ATOM 0 H PHE A 117 0.186 3.138 3.102 1.00 0.00 H new ATOM 0 HA PHE A 117 0.212 4.923 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -1.105 2.160 0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.522 3.358 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.480 4.392 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.664 0.631 0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.400 3.745 -2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.604 -0.006 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.500 1.564 -2.627 1.00 0.00 H new ATOM 1793 N ALA A 118 -2.164 5.629 1.342 1.00 0.00 N ATOM 1794 CA ALA A 118 -3.450 6.163 1.809 1.00 0.00 C ATOM 1795 C ALA A 118 -4.328 6.544 0.619 1.00 0.00 C ATOM 1796 O ALA A 118 -3.828 6.969 -0.420 1.00 0.00 O ATOM 1797 CB ALA A 118 -3.163 7.361 2.709 1.00 0.00 C ATOM 0 H ALA A 118 -1.799 6.082 0.504 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.998 5.411 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -4.103 7.778 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.557 7.042 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.623 8.120 2.143 1.00 0.00 H new ATOM 1803 N GLU A 119 -5.614 6.229 0.732 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.608 6.533 -0.323 1.00 0.00 C ATOM 1805 C GLU A 119 -6.484 7.977 -0.840 1.00 0.00 C ATOM 1806 O GLU A 119 -6.381 8.912 -0.049 1.00 0.00 O ATOM 1807 CB GLU A 119 -8.035 6.250 0.168 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.457 7.034 1.416 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.479 8.131 1.106 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -9.073 9.192 0.591 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -10.655 7.882 1.446 1.00 0.00 O ATOM 0 H GLU A 119 -6.007 5.759 1.547 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.394 5.871 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.732 6.477 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.126 5.184 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.880 6.345 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.575 7.483 1.874 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.250 8.072 -2.144 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.129 9.376 -2.825 1.00 0.00 C ATOM 1820 C LEU A 120 -7.498 9.849 -3.326 1.00 0.00 C ATOM 1821 O LEU A 120 -7.978 10.914 -2.949 1.00 0.00 O ATOM 1822 CB LEU A 120 -5.073 9.295 -3.944 1.00 0.00 C ATOM 1823 CG LEU A 120 -4.850 10.523 -4.856 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -5.881 10.620 -5.985 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -4.780 11.847 -4.088 1.00 0.00 C ATOM 0 H LEU A 120 -6.139 7.266 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 120 -5.782 10.128 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.118 9.054 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -5.337 8.453 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 120 -3.871 10.354 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -5.674 11.501 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -5.823 9.728 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -6.881 10.700 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.622 12.666 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.714 12.005 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.954 11.813 -3.378 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.091 9.038 -4.203 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.407 9.360 -4.772 1.00 0.00 C ATOM 1839 C ASP A 121 -10.501 9.114 -3.727 1.00 0.00 C ATOM 1840 O ASP A 121 -10.524 8.017 -3.157 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.708 8.575 -6.055 1.00 0.00 C ATOM 1842 CG ASP A 121 -9.292 9.299 -7.344 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -8.992 10.511 -7.278 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -9.287 8.603 -8.378 1.00 0.00 O ATOM 0 H ASP A 121 -7.689 8.161 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.390 10.415 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -9.196 7.614 -6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.777 8.365 -6.098 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.419 10.075 -3.554 1.00 0.00 N ATOM 1850 CA PRO A 122 -12.576 9.934 -2.647 1.00 0.00 C ATOM 1851 C PRO A 122 -13.658 8.997 -3.220 1.00 0.00 C ATOM 1852 O PRO A 122 -14.838 9.324 -3.311 1.00 0.00 O ATOM 1853 CB PRO A 122 -13.037 11.376 -2.413 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.695 12.083 -3.724 1.00 0.00 C ATOM 1855 CD PRO A 122 -11.381 11.428 -4.151 1.00 0.00 C ATOM 0 HA PRO A 122 -12.328 9.448 -1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -14.104 11.425 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.520 11.829 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.475 11.942 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.580 13.158 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -11.299 11.379 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.522 11.995 -3.792 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.193 7.824 -3.641 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.013 6.757 -4.245 1.00 0.00 C ATOM 1865 C ASP A 123 -13.567 5.359 -3.782 1.00 0.00 C ATOM 1866 O ASP A 123 -14.396 4.540 -3.404 1.00 0.00 O ATOM 1867 CB ASP A 123 -13.963 6.858 -5.777 1.00 0.00 C ATOM 1868 CG ASP A 123 -15.024 5.997 -6.479 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -16.125 5.845 -5.908 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -14.683 5.478 -7.563 1.00 0.00 O ATOM 0 H ASP A 123 -12.206 7.574 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.041 6.897 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.098 7.899 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.974 6.556 -6.122 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.252 5.131 -3.776 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.667 3.856 -3.329 1.00 0.00 C ATOM 1877 C GLN A 124 -10.871 4.061 -2.032 1.00 0.00 C ATOM 1878 O GLN A 124 -9.717 4.500 -2.079 1.00 0.00 O ATOM 1879 CB GLN A 124 -10.820 3.233 -4.445 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.671 2.293 -5.306 1.00 0.00 C ATOM 1881 CD GLN A 124 -12.063 1.018 -4.549 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -11.285 0.393 -3.839 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -13.305 0.615 -4.680 1.00 0.00 N ATOM 0 H GLN A 124 -11.562 5.818 -4.078 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.468 3.151 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.394 4.019 -5.068 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -9.985 2.682 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.572 2.814 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -11.117 2.025 -6.206 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -13.951 1.137 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -13.624 -0.221 -4.190 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.553 3.948 -0.882 1.00 0.00 N ATOM 1893 CA PRO A 125 -10.904 4.099 0.426 1.00 0.00 C ATOM 1894 C PRO A 125 -9.949 2.931 0.656 1.00 0.00 C ATOM 1895 O PRO A 125 -10.199 1.806 0.224 1.00 0.00 O ATOM 1896 CB PRO A 125 -12.042 4.153 1.448 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.177 3.377 0.784 1.00 0.00 C ATOM 1898 CD PRO A 125 -12.990 3.643 -0.712 1.00 0.00 C ATOM 0 HA PRO A 125 -10.297 5.001 0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.749 3.699 2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.335 5.180 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -13.117 2.312 1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.151 3.722 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.280 2.775 -1.304 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.610 4.476 -1.043 1.00 0.00 H new ATOM 1906 N ALA A 126 -8.910 3.209 1.433 1.00 0.00 N ATOM 1907 CA ALA A 126 -7.871 2.217 1.746 1.00 0.00 C ATOM 1908 C ALA A 126 -8.477 0.931 2.333 1.00 0.00 C ATOM 1909 O ALA A 126 -8.143 -0.152 1.875 1.00 0.00 O ATOM 1910 CB ALA A 126 -6.880 2.856 2.709 1.00 0.00 C ATOM 0 H ALA A 126 -8.758 4.120 1.865 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.357 1.922 0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.098 2.138 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.432 3.733 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.399 3.155 3.620 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.488 1.080 3.196 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.295 -0.046 3.719 1.00 0.00 C ATOM 1918 C ALA A 127 -10.908 -0.938 2.629 1.00 0.00 C ATOM 1919 O ALA A 127 -10.571 -2.113 2.566 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.371 0.478 4.671 1.00 0.00 C ATOM 0 H ALA A 127 -9.777 1.989 3.558 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.606 -0.692 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -11.959 -0.357 5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -10.898 0.997 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.024 1.169 4.137 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.558 -0.327 1.640 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.081 -1.039 0.451 1.00 0.00 C ATOM 1928 C ALA A 128 -10.972 -1.664 -0.419 1.00 0.00 C ATOM 1929 O ALA A 128 -11.116 -2.793 -0.884 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.951 -0.106 -0.392 1.00 0.00 C ATOM 0 H ALA A 128 -11.743 0.676 1.630 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.686 -1.864 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.327 -0.646 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.791 0.248 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.357 0.746 -0.723 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.802 -1.025 -0.406 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.567 -1.515 -1.054 1.00 0.00 C ATOM 1938 C ILE A 129 -7.905 -2.678 -0.289 1.00 0.00 C ATOM 1939 O ILE A 129 -7.252 -3.527 -0.889 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.672 -0.292 -1.380 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -8.026 0.271 -2.768 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.158 -0.459 -1.183 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.845 -0.709 -3.941 1.00 0.00 C ATOM 0 H ILE A 129 -9.675 -0.129 0.065 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.792 -1.996 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.917 0.437 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -9.063 0.606 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.410 1.151 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.652 0.470 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -5.951 -0.701 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.795 -1.264 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -8.121 -0.216 -4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.803 -1.026 -3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -8.482 -1.580 -3.789 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.191 -2.755 1.003 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.731 -3.809 1.923 1.00 0.00 C ATOM 1957 C VAL A 130 -8.715 -4.983 2.029 1.00 0.00 C ATOM 1958 O VAL A 130 -8.301 -6.135 2.123 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.328 -3.123 3.234 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.607 -3.903 4.525 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -5.839 -2.798 3.105 1.00 0.00 C ATOM 0 H VAL A 130 -8.774 -2.059 1.468 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.847 -4.319 1.540 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.956 -2.240 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.279 -3.316 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.676 -4.100 4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.065 -4.848 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.494 -2.305 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.277 -3.720 2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.683 -2.137 2.253 1.00 0.00 H new ATOM 1971 N ASN A 131 -9.993 -4.670 1.863 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.057 -5.680 1.786 1.00 0.00 C ATOM 1973 C ASN A 131 -10.903 -6.497 0.498 1.00 0.00 C ATOM 1974 O ASN A 131 -10.895 -7.718 0.550 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.434 -5.013 1.842 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.544 -6.063 1.761 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.480 -7.149 2.317 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.564 -5.770 0.993 1.00 0.00 N ATOM 0 H ASN A 131 -10.328 -3.711 1.777 1.00 0.00 H new ATOM 0 HA ASN A 131 -10.972 -6.351 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.531 -4.444 2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.535 -4.305 1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.311 -6.451 0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.611 -4.861 0.532 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.535 -5.812 -0.580 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.274 -6.443 -1.880 1.00 0.00 C ATOM 1987 C PHE A 132 -8.915 -7.156 -1.864 1.00 0.00 C ATOM 1988 O PHE A 132 -8.842 -8.309 -2.261 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.375 -5.357 -2.963 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.671 -5.720 -4.268 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -8.285 -5.615 -4.298 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -10.348 -6.226 -5.374 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -7.587 -6.055 -5.394 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -9.641 -6.606 -6.505 1.00 0.00 C ATOM 1995 CZ PHE A 132 -8.253 -6.525 -6.520 1.00 0.00 C ATOM 0 H PHE A 132 -10.407 -4.800 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.012 -7.215 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.427 -5.161 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.949 -4.431 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -7.758 -5.187 -3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -11.423 -6.323 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -6.507 -6.036 -5.382 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -10.169 -6.965 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.698 -6.824 -7.397 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.878 -6.516 -1.324 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.512 -7.082 -1.344 1.00 0.00 C ATOM 2007 C VAL A 133 -6.402 -8.361 -0.491 1.00 0.00 C ATOM 2008 O VAL A 133 -5.558 -9.208 -0.755 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.480 -5.992 -0.996 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.359 -5.695 0.498 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.120 -6.278 -1.634 1.00 0.00 C ATOM 0 H VAL A 133 -7.948 -5.607 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.279 -7.414 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.872 -5.074 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.612 -4.917 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.322 -5.356 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.057 -6.600 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.419 -5.488 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.743 -7.235 -1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.227 -6.315 -2.718 1.00 0.00 H new ATOM 2021 N SER A 134 -7.290 -8.461 0.497 1.00 0.00 N ATOM 2022 CA SER A 134 -7.414 -9.629 1.389 1.00 0.00 C ATOM 2023 C SER A 134 -8.483 -10.635 0.914 1.00 0.00 C ATOM 2024 O SER A 134 -8.321 -11.839 1.092 1.00 0.00 O ATOM 2025 CB SER A 134 -7.715 -9.122 2.802 1.00 0.00 C ATOM 2026 OG SER A 134 -7.469 -10.140 3.771 1.00 0.00 O ATOM 0 H SER A 134 -7.960 -7.722 0.710 1.00 0.00 H new ATOM 0 HA SER A 134 -6.473 -10.179 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.097 -8.251 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 134 -8.754 -8.799 2.863 1.00 0.00 H new ATOM 0 HG SER A 134 -7.666 -9.794 4.666 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.489 -10.163 0.173 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.537 -11.025 -0.418 1.00 0.00 C ATOM 2034 C ARG A 135 -10.103 -11.655 -1.752 1.00 0.00 C ATOM 2035 O ARG A 135 -10.207 -12.868 -1.930 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.862 -10.256 -0.541 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.923 -10.928 -1.420 1.00 0.00 C ATOM 2038 CD ARG A 135 -14.333 -10.652 -0.911 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.614 -11.548 0.225 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.806 -11.727 0.793 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -16.872 -11.056 0.376 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -15.955 -12.588 1.789 1.00 0.00 N ATOM 0 H ARG A 135 -9.607 -9.172 -0.039 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.696 -11.861 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -12.276 -10.114 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.653 -9.265 -0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.829 -10.567 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -12.748 -12.004 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -14.425 -9.611 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -15.060 -10.813 -1.707 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.830 -12.076 0.609 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -16.787 -10.390 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -17.776 -11.206 0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -15.153 -13.120 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -16.871 -12.718 2.218 1.00 0.00 H new ATOM 2056 N VAL A 136 -9.566 -10.821 -2.638 1.00 0.00 N ATOM 2057 CA VAL A 136 -9.028 -11.246 -3.946 1.00 0.00 C ATOM 2058 C VAL A 136 -7.796 -12.153 -3.757 1.00 0.00 C ATOM 2059 O VAL A 136 -7.461 -12.934 -4.639 1.00 0.00 O ATOM 2060 CB VAL A 136 -8.759 -10.028 -4.857 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -7.345 -9.428 -4.779 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -9.144 -10.365 -6.298 1.00 0.00 C ATOM 0 H VAL A 136 -9.487 -9.817 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 136 -9.778 -11.847 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.394 -9.232 -4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.271 -8.580 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.147 -9.094 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.613 -10.184 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -8.953 -9.503 -6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.552 -11.212 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -10.203 -10.621 -6.341 1.00 0.00 H new ATOM 2072 N MET A 137 -7.132 -11.996 -2.607 1.00 0.00 N ATOM 2073 CA MET A 137 -5.980 -12.830 -2.217 1.00 0.00 C ATOM 2074 C MET A 137 -6.325 -14.327 -2.138 1.00 0.00 C ATOM 2075 O MET A 137 -5.431 -15.169 -2.126 1.00 0.00 O ATOM 2076 CB MET A 137 -5.415 -12.385 -0.868 1.00 0.00 C ATOM 2077 CG MET A 137 -3.976 -11.897 -1.045 1.00 0.00 C ATOM 2078 SD MET A 137 -2.969 -12.038 0.474 1.00 0.00 S ATOM 2079 CE MET A 137 -2.394 -13.712 0.273 1.00 0.00 C ATOM 0 H MET A 137 -7.375 -11.287 -1.916 1.00 0.00 H new ATOM 0 HA MET A 137 -5.235 -12.693 -3.001 1.00 0.00 H new ATOM 0 HB2 MET A 137 -6.030 -11.588 -0.451 1.00 0.00 H new ATOM 0 HB3 MET A 137 -5.443 -13.213 -0.160 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.501 -12.470 -1.841 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.990 -10.856 -1.367 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.756 -13.981 1.115 1.00 0.00 H new ATOM 0 HE2 MET A 137 -3.248 -14.388 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.825 -13.793 -0.653 1.00 0.00 H new