USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 4 GLN : amide:sc= -0.692 K(o=-0.28,f=-4.9) USER MOD Set 1.2: A 93 TYR OH : rot -138:sc= 0.415 USER MOD Set 2.1: A 61 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.5!) USER MOD Set 2.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 35 THR OG1 : rot 122:sc= 0.0288 USER MOD Set 3.2: A 42 LYS NZ :NH3+ -146:sc= 0.0205 (180deg=-0.92!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.7!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.0032 (180deg=-0.2) USER MOD Single : A 34 ASN : amide:sc= -0.608 K(o=-0.61,f=-0.0053) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.31) USER MOD Single : A 72 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.57! C(o=-1.6!,f=-2!) USER MOD Single : A 82 MET CE :methyl -111:sc= -0.796 (180deg=-6.05!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.339 K(o=-0.34,f=0.36) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -130:sc=-0.00438 USER MOD Single : A 90 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.211) USER MOD Single : A 91 SER OG : rot 110:sc= -0.579 USER MOD Single : A 92 ASN : amide:sc= -4.5! C(o=-4.5!,f=-5.1!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 4.180 -2.032 -0.822 1.00 64.52 N ATOM 9 CA SER A 2 5.400 -2.827 -0.745 1.00 14.41 C ATOM 10 C SER A 2 5.074 -4.312 -0.624 1.00 20.14 C ATOM 11 O SER A 2 4.658 -4.784 0.434 1.00 44.04 O ATOM 12 CB SER A 2 6.249 -2.381 0.448 1.00 64.41 C ATOM 13 OG SER A 2 7.622 -2.661 0.229 1.00 72.14 O ATOM 0 HA SER A 2 5.965 -2.671 -1.664 1.00 14.41 H new ATOM 0 HB2 SER A 2 6.114 -1.312 0.615 1.00 64.41 H new ATOM 0 HB3 SER A 2 5.910 -2.890 1.350 1.00 64.41 H new ATOM 0 HG SER A 2 8.144 -2.365 1.004 1.00 72.14 H new ATOM 19 N ALA A 3 5.267 -5.045 -1.717 1.00 74.00 N ATOM 20 CA ALA A 3 4.995 -6.477 -1.734 1.00 11.50 C ATOM 21 C ALA A 3 3.586 -6.775 -1.234 1.00 0.22 C ATOM 22 O ALA A 3 3.406 -7.306 -0.139 1.00 33.04 O ATOM 23 CB ALA A 3 6.024 -7.219 -0.893 1.00 73.30 C ATOM 0 H ALA A 3 5.610 -4.670 -2.601 1.00 74.00 H new ATOM 0 HA ALA A 3 5.066 -6.823 -2.765 1.00 11.50 H new ATOM 0 HB1 ALA A 3 5.809 -8.287 -0.914 1.00 73.30 H new ATOM 0 HB2 ALA A 3 7.021 -7.041 -1.297 1.00 73.30 H new ATOM 0 HB3 ALA A 3 5.980 -6.861 0.135 1.00 73.30 H new ATOM 29 N GLN A 4 2.591 -6.428 -2.044 1.00 50.54 N ATOM 30 CA GLN A 4 1.197 -6.657 -1.681 1.00 60.34 C ATOM 31 C GLN A 4 0.707 -7.996 -2.225 1.00 34.05 C ATOM 32 O GLN A 4 1.025 -8.374 -3.351 1.00 11.45 O ATOM 33 CB GLN A 4 0.316 -5.525 -2.214 1.00 1.35 C ATOM 34 CG GLN A 4 -0.582 -4.905 -1.155 1.00 3.41 C ATOM 35 CD GLN A 4 -1.227 -3.615 -1.621 1.00 61.15 C ATOM 36 OE1 GLN A 4 -0.581 -2.569 -1.680 1.00 43.21 O ATOM 37 NE2 GLN A 4 -2.511 -3.683 -1.957 1.00 43.24 N ATOM 0 H GLN A 4 2.724 -5.988 -2.955 1.00 50.54 H new ATOM 0 HA GLN A 4 1.130 -6.679 -0.593 1.00 60.34 H new ATOM 0 HB2 GLN A 4 0.953 -4.749 -2.639 1.00 1.35 H new ATOM 0 HB3 GLN A 4 -0.303 -5.908 -3.025 1.00 1.35 H new ATOM 0 HG2 GLN A 4 -1.360 -5.618 -0.881 1.00 3.41 H new ATOM 0 HG3 GLN A 4 0.003 -4.710 -0.256 1.00 3.41 H new ATOM 0 HE21 GLN A 4 -3.009 -4.571 -1.893 1.00 43.24 H new ATOM 0 HE22 GLN A 4 -2.999 -2.847 -2.279 1.00 43.24 H new ATOM 46 N ASN A 5 -0.069 -8.709 -1.414 1.00 42.13 N ATOM 47 CA ASN A 5 -0.603 -10.006 -1.812 1.00 63.00 C ATOM 48 C ASN A 5 -1.859 -9.840 -2.663 1.00 3.40 C ATOM 49 O ASN A 5 -2.844 -9.248 -2.223 1.00 33.42 O ATOM 50 CB ASN A 5 -0.918 -10.852 -0.578 1.00 34.25 C ATOM 51 CG ASN A 5 0.148 -10.729 0.494 1.00 75.22 C ATOM 52 OD1 ASN A 5 1.078 -11.532 0.556 1.00 20.43 O ATOM 53 ND2 ASN A 5 0.014 -9.720 1.348 1.00 23.50 N ATOM 0 H ASN A 5 -0.342 -8.410 -0.478 1.00 42.13 H new ATOM 0 HA ASN A 5 0.154 -10.514 -2.409 1.00 63.00 H new ATOM 0 HB2 ASN A 5 -1.880 -10.546 -0.167 1.00 34.25 H new ATOM 0 HB3 ASN A 5 -1.015 -11.897 -0.872 1.00 34.25 H new ATOM 0 HD21 ASN A 5 0.699 -9.588 2.092 1.00 23.50 H new ATOM 0 HD22 ASN A 5 -0.773 -9.078 1.259 1.00 23.50 H new ATOM 60 N ILE A 6 -1.814 -10.366 -3.882 1.00 70.32 N ATOM 61 CA ILE A 6 -2.949 -10.279 -4.793 1.00 52.55 C ATOM 62 C ILE A 6 -3.367 -11.659 -5.286 1.00 31.10 C ATOM 63 O ILE A 6 -2.571 -12.388 -5.879 1.00 11.44 O ATOM 64 CB ILE A 6 -2.627 -9.388 -6.009 1.00 10.44 C ATOM 65 CG1 ILE A 6 -2.234 -7.982 -5.549 1.00 73.15 C ATOM 66 CG2 ILE A 6 -3.819 -9.330 -6.953 1.00 3.31 C ATOM 67 CD1 ILE A 6 -3.325 -7.274 -4.776 1.00 41.25 C ATOM 0 H ILE A 6 -1.004 -10.857 -4.262 1.00 70.32 H new ATOM 0 HA ILE A 6 -3.770 -9.833 -4.232 1.00 52.55 H new ATOM 0 HB ILE A 6 -1.784 -9.822 -6.547 1.00 10.44 H new ATOM 0 HG12 ILE A 6 -1.342 -8.048 -4.926 1.00 73.15 H new ATOM 0 HG13 ILE A 6 -1.970 -7.383 -6.421 1.00 73.15 H new ATOM 0 HG21 ILE A 6 -3.577 -8.697 -7.807 1.00 3.31 H new ATOM 0 HG22 ILE A 6 -4.056 -10.335 -7.302 1.00 3.31 H new ATOM 0 HG23 ILE A 6 -4.680 -8.916 -6.427 1.00 3.31 H new ATOM 0 HD11 ILE A 6 -2.978 -6.284 -4.481 1.00 41.25 H new ATOM 0 HD12 ILE A 6 -4.211 -7.176 -5.404 1.00 41.25 H new ATOM 0 HD13 ILE A 6 -3.573 -7.851 -3.885 1.00 41.25 H new ATOM 79 N THR A 7 -4.624 -12.014 -5.038 1.00 74.30 N ATOM 80 CA THR A 7 -5.151 -13.308 -5.456 1.00 14.43 C ATOM 81 C THR A 7 -5.768 -13.226 -6.848 1.00 14.33 C ATOM 82 O THR A 7 -6.405 -12.234 -7.197 1.00 43.23 O ATOM 83 CB THR A 7 -6.209 -13.830 -4.466 1.00 70.23 C ATOM 84 OG1 THR A 7 -6.938 -12.733 -3.905 1.00 12.12 O ATOM 85 CG2 THR A 7 -5.558 -14.636 -3.353 1.00 33.41 C ATOM 0 H THR A 7 -5.297 -11.423 -4.549 1.00 74.30 H new ATOM 0 HA THR A 7 -4.310 -14.001 -5.475 1.00 14.43 H new ATOM 0 HB THR A 7 -6.894 -14.480 -5.010 1.00 70.23 H new ATOM 0 HG1 THR A 7 -7.610 -13.073 -3.278 1.00 12.12 H new ATOM 0 HG21 THR A 7 -6.325 -14.994 -2.666 1.00 33.41 H new ATOM 0 HG22 THR A 7 -5.029 -15.487 -3.782 1.00 33.41 H new ATOM 0 HG23 THR A 7 -4.853 -14.005 -2.812 1.00 33.41 H new ATOM 93 N ALA A 8 -5.575 -14.277 -7.637 1.00 63.30 N ATOM 94 CA ALA A 8 -6.115 -14.326 -8.990 1.00 43.02 C ATOM 95 C ALA A 8 -6.494 -15.751 -9.379 1.00 53.23 C ATOM 96 O ALA A 8 -6.111 -16.710 -8.710 1.00 51.41 O ATOM 97 CB ALA A 8 -5.110 -13.756 -9.981 1.00 12.11 C ATOM 0 H ALA A 8 -5.049 -15.106 -7.363 1.00 63.30 H new ATOM 0 HA ALA A 8 -7.019 -13.718 -9.016 1.00 43.02 H new ATOM 0 HB1 ALA A 8 -5.527 -13.799 -10.987 1.00 12.11 H new ATOM 0 HB2 ALA A 8 -4.892 -12.720 -9.723 1.00 12.11 H new ATOM 0 HB3 ALA A 8 -4.191 -14.340 -9.944 1.00 12.11 H new ATOM 103 N ARG A 9 -7.250 -15.881 -10.465 1.00 34.13 N ATOM 104 CA ARG A 9 -7.682 -17.189 -10.941 1.00 60.24 C ATOM 105 C ARG A 9 -7.278 -17.398 -12.399 1.00 15.24 C ATOM 106 O ARG A 9 -7.211 -16.447 -13.176 1.00 51.13 O ATOM 107 CB ARG A 9 -9.198 -17.333 -10.797 1.00 52.44 C ATOM 108 CG ARG A 9 -9.657 -17.534 -9.361 1.00 42.21 C ATOM 109 CD ARG A 9 -9.835 -16.205 -8.643 1.00 32.04 C ATOM 110 NE ARG A 9 -9.351 -16.259 -7.266 1.00 52.11 N ATOM 111 CZ ARG A 9 -9.733 -15.410 -6.319 1.00 1.12 C ATOM 112 NH1 ARG A 9 -10.601 -14.446 -6.599 1.00 13.14 N ATOM 113 NH2 ARG A 9 -9.248 -15.523 -5.089 1.00 43.20 N ATOM 0 H ARG A 9 -7.575 -15.097 -11.031 1.00 34.13 H new ATOM 0 HA ARG A 9 -7.192 -17.949 -10.332 1.00 60.24 H new ATOM 0 HB2 ARG A 9 -9.679 -16.443 -11.202 1.00 52.44 H new ATOM 0 HB3 ARG A 9 -9.533 -18.178 -11.398 1.00 52.44 H new ATOM 0 HG2 ARG A 9 -10.599 -18.083 -9.352 1.00 42.21 H new ATOM 0 HG3 ARG A 9 -8.928 -18.143 -8.826 1.00 42.21 H new ATOM 0 HD2 ARG A 9 -9.300 -15.425 -9.185 1.00 32.04 H new ATOM 0 HD3 ARG A 9 -10.890 -15.929 -8.646 1.00 32.04 H new ATOM 0 HE ARG A 9 -8.683 -16.989 -7.018 1.00 52.11 H new ATOM 0 HH11 ARG A 9 -10.976 -14.356 -7.543 1.00 13.14 H new ATOM 0 HH12 ARG A 9 -10.893 -13.795 -5.870 1.00 13.14 H new ATOM 0 HH21 ARG A 9 -8.581 -16.263 -4.870 1.00 43.20 H new ATOM 0 HH22 ARG A 9 -9.542 -14.870 -4.363 1.00 43.20 H new ATOM 127 N ILE A 10 -7.008 -18.649 -12.758 1.00 51.12 N ATOM 128 CA ILE A 10 -6.611 -18.981 -14.120 1.00 63.42 C ATOM 129 C ILE A 10 -7.686 -18.573 -15.123 1.00 13.32 C ATOM 130 O ILE A 10 -8.827 -19.024 -15.043 1.00 72.30 O ATOM 131 CB ILE A 10 -6.331 -20.489 -14.273 1.00 2.53 C ATOM 132 CG1 ILE A 10 -5.148 -20.901 -13.394 1.00 15.14 C ATOM 133 CG2 ILE A 10 -6.059 -20.832 -15.729 1.00 61.54 C ATOM 134 CD1 ILE A 10 -5.081 -22.389 -13.130 1.00 1.21 C ATOM 0 H ILE A 10 -7.057 -19.448 -12.125 1.00 51.12 H new ATOM 0 HA ILE A 10 -5.696 -18.425 -14.325 1.00 63.42 H new ATOM 0 HB ILE A 10 -7.212 -21.042 -13.948 1.00 2.53 H new ATOM 0 HG12 ILE A 10 -4.222 -20.583 -13.873 1.00 15.14 H new ATOM 0 HG13 ILE A 10 -5.212 -20.374 -12.442 1.00 15.14 H new ATOM 0 HG21 ILE A 10 -5.863 -21.900 -15.821 1.00 61.54 H new ATOM 0 HG22 ILE A 10 -6.927 -20.569 -16.333 1.00 61.54 H new ATOM 0 HG23 ILE A 10 -5.191 -20.273 -16.079 1.00 61.54 H new ATOM 0 HD11 ILE A 10 -4.218 -22.608 -12.501 1.00 1.21 H new ATOM 0 HD12 ILE A 10 -5.991 -22.710 -12.623 1.00 1.21 H new ATOM 0 HD13 ILE A 10 -4.985 -22.922 -14.076 1.00 1.21 H new ATOM 146 N GLY A 11 -7.311 -17.715 -16.067 1.00 10.32 N ATOM 147 CA GLY A 11 -8.253 -17.259 -17.072 1.00 33.42 C ATOM 148 C GLY A 11 -9.130 -16.128 -16.575 1.00 53.21 C ATOM 149 O GLY A 11 -10.045 -15.690 -17.273 1.00 2.55 O ATOM 0 H GLY A 11 -6.371 -17.328 -16.153 1.00 10.32 H new ATOM 0 HA2 GLY A 11 -7.706 -16.929 -17.955 1.00 33.42 H new ATOM 0 HA3 GLY A 11 -8.882 -18.094 -17.381 1.00 33.42 H new ATOM 153 N GLU A 12 -8.853 -15.654 -15.364 1.00 55.31 N ATOM 154 CA GLU A 12 -9.626 -14.568 -14.774 1.00 50.24 C ATOM 155 C GLU A 12 -8.882 -13.241 -14.897 1.00 41.12 C ATOM 156 O GLU A 12 -7.660 -13.170 -14.761 1.00 22.33 O ATOM 157 CB GLU A 12 -9.922 -14.864 -13.302 1.00 51.13 C ATOM 158 CG GLU A 12 -9.536 -13.733 -12.363 1.00 60.43 C ATOM 159 CD GLU A 12 -10.090 -13.921 -10.964 1.00 61.43 C ATOM 160 OE1 GLU A 12 -11.081 -14.665 -10.813 1.00 21.21 O ATOM 161 OE2 GLU A 12 -9.531 -13.323 -10.021 1.00 22.54 O ATOM 0 H GLU A 12 -8.099 -16.005 -14.773 1.00 55.31 H new ATOM 0 HA GLU A 12 -10.567 -14.489 -15.318 1.00 50.24 H new ATOM 0 HB2 GLU A 12 -10.986 -15.071 -13.189 1.00 51.13 H new ATOM 0 HB3 GLU A 12 -9.388 -15.767 -13.007 1.00 51.13 H new ATOM 0 HG2 GLU A 12 -8.449 -13.662 -12.313 1.00 60.43 H new ATOM 0 HG3 GLU A 12 -9.898 -12.789 -12.769 1.00 60.43 H new ATOM 168 N PRO A 13 -9.634 -12.162 -15.161 1.00 34.31 N ATOM 169 CA PRO A 13 -9.069 -10.818 -15.309 1.00 14.15 C ATOM 170 C PRO A 13 -8.555 -10.258 -13.987 1.00 51.34 C ATOM 171 O PRO A 13 -9.142 -10.495 -12.930 1.00 63.22 O ATOM 172 CB PRO A 13 -10.250 -9.989 -15.819 1.00 34.41 C ATOM 173 CG PRO A 13 -11.458 -10.713 -15.332 1.00 35.15 C ATOM 174 CD PRO A 13 -11.097 -12.173 -15.336 1.00 32.11 C ATOM 0 HA PRO A 13 -8.207 -10.809 -15.976 1.00 14.15 H new ATOM 0 HB2 PRO A 13 -10.216 -8.971 -15.432 1.00 34.41 H new ATOM 0 HB3 PRO A 13 -10.243 -9.917 -16.907 1.00 34.41 H new ATOM 0 HG2 PRO A 13 -11.734 -10.382 -14.331 1.00 35.15 H new ATOM 0 HG3 PRO A 13 -12.315 -10.521 -15.978 1.00 35.15 H new ATOM 0 HD2 PRO A 13 -11.594 -12.712 -14.530 1.00 32.11 H new ATOM 0 HD3 PRO A 13 -11.387 -12.656 -16.269 1.00 32.11 H new ATOM 182 N LEU A 14 -7.457 -9.513 -14.053 1.00 55.42 N ATOM 183 CA LEU A 14 -6.865 -8.917 -12.860 1.00 15.43 C ATOM 184 C LEU A 14 -6.271 -7.547 -13.174 1.00 14.43 C ATOM 185 O LEU A 14 -5.709 -7.334 -14.248 1.00 50.40 O ATOM 186 CB LEU A 14 -5.784 -9.835 -12.289 1.00 63.40 C ATOM 187 CG LEU A 14 -5.004 -9.292 -11.092 1.00 1.52 C ATOM 188 CD1 LEU A 14 -5.931 -9.065 -9.909 1.00 54.14 C ATOM 189 CD2 LEU A 14 -3.877 -10.243 -10.714 1.00 51.42 C ATOM 0 H LEU A 14 -6.959 -9.307 -14.919 1.00 55.42 H new ATOM 0 HA LEU A 14 -7.653 -8.790 -12.118 1.00 15.43 H new ATOM 0 HB2 LEU A 14 -6.252 -10.775 -11.996 1.00 63.40 H new ATOM 0 HB3 LEU A 14 -5.075 -10.066 -13.084 1.00 63.40 H new ATOM 0 HG LEU A 14 -4.566 -8.334 -11.373 1.00 1.52 H new ATOM 0 HD11 LEU A 14 -5.358 -8.678 -9.066 1.00 54.14 H new ATOM 0 HD12 LEU A 14 -6.702 -8.345 -10.184 1.00 54.14 H new ATOM 0 HD13 LEU A 14 -6.399 -10.008 -9.627 1.00 54.14 H new ATOM 0 HD21 LEU A 14 -3.332 -9.840 -9.860 1.00 51.42 H new ATOM 0 HD22 LEU A 14 -4.294 -11.216 -10.453 1.00 51.42 H new ATOM 0 HD23 LEU A 14 -3.197 -10.355 -11.558 1.00 51.42 H new ATOM 201 N VAL A 15 -6.396 -6.622 -12.227 1.00 75.30 N ATOM 202 CA VAL A 15 -5.868 -5.274 -12.400 1.00 72.33 C ATOM 203 C VAL A 15 -4.855 -4.936 -11.313 1.00 31.34 C ATOM 204 O VAL A 15 -4.977 -5.388 -10.174 1.00 15.12 O ATOM 205 CB VAL A 15 -6.995 -4.223 -12.381 1.00 35.34 C ATOM 206 CG1 VAL A 15 -6.524 -2.924 -13.014 1.00 1.53 C ATOM 207 CG2 VAL A 15 -8.231 -4.755 -13.091 1.00 30.15 C ATOM 0 H VAL A 15 -6.858 -6.782 -11.332 1.00 75.30 H new ATOM 0 HA VAL A 15 -5.375 -5.250 -13.372 1.00 72.33 H new ATOM 0 HB VAL A 15 -7.260 -4.018 -11.344 1.00 35.34 H new ATOM 0 HG11 VAL A 15 -7.333 -2.194 -12.992 1.00 1.53 H new ATOM 0 HG12 VAL A 15 -5.670 -2.537 -12.458 1.00 1.53 H new ATOM 0 HG13 VAL A 15 -6.230 -3.108 -14.047 1.00 1.53 H new ATOM 0 HG21 VAL A 15 -9.017 -4.000 -13.068 1.00 30.15 H new ATOM 0 HG22 VAL A 15 -7.983 -4.990 -14.126 1.00 30.15 H new ATOM 0 HG23 VAL A 15 -8.580 -5.657 -12.588 1.00 30.15 H new ATOM 217 N LEU A 16 -3.854 -4.140 -11.672 1.00 50.21 N ATOM 218 CA LEU A 16 -2.818 -3.740 -10.726 1.00 3.02 C ATOM 219 C LEU A 16 -2.588 -2.233 -10.774 1.00 71.35 C ATOM 220 O LEU A 16 -2.766 -1.600 -11.815 1.00 63.31 O ATOM 221 CB LEU A 16 -1.512 -4.477 -11.029 1.00 41.44 C ATOM 222 CG LEU A 16 -1.556 -6.001 -10.910 1.00 54.54 C ATOM 223 CD1 LEU A 16 -0.217 -6.606 -11.299 1.00 73.02 C ATOM 224 CD2 LEU A 16 -1.941 -6.414 -9.497 1.00 55.31 C ATOM 0 H LEU A 16 -3.738 -3.759 -12.611 1.00 50.21 H new ATOM 0 HA LEU A 16 -3.154 -4.005 -9.724 1.00 3.02 H new ATOM 0 HB2 LEU A 16 -1.201 -4.221 -12.042 1.00 41.44 H new ATOM 0 HB3 LEU A 16 -0.742 -4.102 -10.354 1.00 41.44 H new ATOM 0 HG LEU A 16 -2.314 -6.378 -11.596 1.00 54.54 H new ATOM 0 HD11 LEU A 16 -0.268 -7.691 -11.208 1.00 73.02 H new ATOM 0 HD12 LEU A 16 0.017 -6.339 -12.329 1.00 73.02 H new ATOM 0 HD13 LEU A 16 0.561 -6.223 -10.639 1.00 73.02 H new ATOM 0 HD21 LEU A 16 -1.968 -7.502 -9.430 1.00 55.31 H new ATOM 0 HD22 LEU A 16 -1.207 -6.025 -8.791 1.00 55.31 H new ATOM 0 HD23 LEU A 16 -2.925 -6.012 -9.256 1.00 55.31 H new ATOM 236 N LYS A 17 -2.190 -1.664 -9.642 1.00 42.24 N ATOM 237 CA LYS A 17 -1.932 -0.231 -9.554 1.00 23.33 C ATOM 238 C LYS A 17 -0.445 0.042 -9.348 1.00 62.23 C ATOM 239 O LYS A 17 0.269 -0.769 -8.759 1.00 11.31 O ATOM 240 CB LYS A 17 -2.738 0.384 -8.408 1.00 44.12 C ATOM 241 CG LYS A 17 -2.847 1.897 -8.484 1.00 44.40 C ATOM 242 CD LYS A 17 -4.121 2.399 -7.826 1.00 45.03 C ATOM 243 CE LYS A 17 -5.251 2.538 -8.834 1.00 51.44 C ATOM 244 NZ LYS A 17 -6.221 3.596 -8.437 1.00 0.42 N ATOM 0 H LYS A 17 -2.039 -2.173 -8.771 1.00 42.24 H new ATOM 0 HA LYS A 17 -2.241 0.227 -10.494 1.00 23.33 H new ATOM 0 HB2 LYS A 17 -3.740 -0.045 -8.409 1.00 44.12 H new ATOM 0 HB3 LYS A 17 -2.275 0.109 -7.461 1.00 44.12 H new ATOM 0 HG2 LYS A 17 -1.983 2.350 -7.998 1.00 44.40 H new ATOM 0 HG3 LYS A 17 -2.827 2.212 -9.527 1.00 44.40 H new ATOM 0 HD2 LYS A 17 -4.420 1.710 -7.036 1.00 45.03 H new ATOM 0 HD3 LYS A 17 -3.932 3.363 -7.354 1.00 45.03 H new ATOM 0 HE2 LYS A 17 -4.836 2.774 -9.814 1.00 51.44 H new ATOM 0 HE3 LYS A 17 -5.772 1.585 -8.930 1.00 51.44 H new ATOM 0 HZ1 LYS A 17 -6.976 3.660 -9.149 1.00 0.42 H new ATOM 0 HZ2 LYS A 17 -6.636 3.358 -7.513 1.00 0.42 H new ATOM 0 HZ3 LYS A 17 -5.730 4.510 -8.370 1.00 0.42 H new ATOM 258 N CYS A 18 0.013 1.189 -9.836 1.00 51.42 N ATOM 259 CA CYS A 18 1.414 1.572 -9.705 1.00 21.52 C ATOM 260 C CYS A 18 1.576 2.714 -8.707 1.00 52.44 C ATOM 261 O CYS A 18 1.323 3.875 -9.029 1.00 11.53 O ATOM 262 CB CYS A 18 1.982 1.984 -11.064 1.00 24.41 C ATOM 263 SG CYS A 18 3.765 2.354 -11.044 1.00 45.11 S ATOM 0 H CYS A 18 -0.566 1.871 -10.326 1.00 51.42 H new ATOM 0 HA CYS A 18 1.966 0.708 -9.335 1.00 21.52 H new ATOM 0 HB2 CYS A 18 1.796 1.184 -11.781 1.00 24.41 H new ATOM 0 HB3 CYS A 18 1.444 2.863 -11.419 1.00 24.41 H new ATOM 268 N LYS A 19 1.998 2.377 -7.493 1.00 44.12 N ATOM 269 CA LYS A 19 2.195 3.374 -6.447 1.00 32.55 C ATOM 270 C LYS A 19 3.177 4.449 -6.898 1.00 43.42 C ATOM 271 O LYS A 19 4.301 4.150 -7.298 1.00 51.11 O ATOM 272 CB LYS A 19 2.707 2.705 -5.168 1.00 43.01 C ATOM 273 CG LYS A 19 1.912 1.477 -4.763 1.00 50.03 C ATOM 274 CD LYS A 19 0.426 1.782 -4.662 1.00 1.51 C ATOM 275 CE LYS A 19 0.145 2.834 -3.599 1.00 32.25 C ATOM 276 NZ LYS A 19 -1.314 3.081 -3.436 1.00 1.15 N ATOM 0 H LYS A 19 2.210 1.421 -7.209 1.00 44.12 H new ATOM 0 HA LYS A 19 1.234 3.847 -6.244 1.00 32.55 H new ATOM 0 HB2 LYS A 19 3.750 2.422 -5.309 1.00 43.01 H new ATOM 0 HB3 LYS A 19 2.681 3.429 -4.354 1.00 43.01 H new ATOM 0 HG2 LYS A 19 2.072 0.682 -5.491 1.00 50.03 H new ATOM 0 HG3 LYS A 19 2.275 1.108 -3.804 1.00 50.03 H new ATOM 0 HD2 LYS A 19 0.058 2.131 -5.627 1.00 1.51 H new ATOM 0 HD3 LYS A 19 -0.119 0.868 -4.425 1.00 1.51 H new ATOM 0 HE2 LYS A 19 0.567 2.511 -2.648 1.00 32.25 H new ATOM 0 HE3 LYS A 19 0.643 3.765 -3.869 1.00 32.25 H new ATOM 0 HZ1 LYS A 19 -1.464 3.804 -2.703 1.00 1.15 H new ATOM 0 HZ2 LYS A 19 -1.713 3.414 -4.337 1.00 1.15 H new ATOM 0 HZ3 LYS A 19 -1.786 2.198 -3.154 1.00 1.15 H new ATOM 290 N GLY A 20 2.744 5.705 -6.830 1.00 22.20 N ATOM 291 CA GLY A 20 3.598 6.807 -7.235 1.00 71.32 C ATOM 292 C GLY A 20 2.953 7.683 -8.292 1.00 35.14 C ATOM 293 O GLY A 20 3.086 8.905 -8.259 1.00 12.10 O ATOM 0 H GLY A 20 1.818 5.979 -6.502 1.00 22.20 H new ATOM 0 HA2 GLY A 20 3.840 7.414 -6.363 1.00 71.32 H new ATOM 0 HA3 GLY A 20 4.538 6.412 -7.619 1.00 71.32 H new ATOM 434 N LEU A 29 6.730 6.039 -18.006 1.00 53.24 N ATOM 435 CA LEU A 29 6.796 4.989 -16.996 1.00 14.35 C ATOM 436 C LEU A 29 6.983 3.621 -17.644 1.00 21.35 C ATOM 437 O LEU A 29 6.552 3.395 -18.773 1.00 62.41 O ATOM 438 CB LEU A 29 5.527 4.993 -16.143 1.00 71.24 C ATOM 439 CG LEU A 29 4.235 5.383 -16.864 1.00 4.24 C ATOM 440 CD1 LEU A 29 3.958 4.429 -18.016 1.00 23.02 C ATOM 441 CD2 LEU A 29 3.066 5.400 -15.890 1.00 1.30 C ATOM 0 HA LEU A 29 7.656 5.188 -16.357 1.00 14.35 H new ATOM 0 HB2 LEU A 29 5.396 3.998 -15.717 1.00 71.24 H new ATOM 0 HB3 LEU A 29 5.676 5.679 -15.309 1.00 71.24 H new ATOM 0 HG LEU A 29 4.357 6.386 -17.272 1.00 4.24 H new ATOM 0 HD11 LEU A 29 3.035 4.722 -18.517 1.00 23.02 H new ATOM 0 HD12 LEU A 29 4.784 4.466 -18.726 1.00 23.02 H new ATOM 0 HD13 LEU A 29 3.856 3.414 -17.631 1.00 23.02 H new ATOM 0 HD21 LEU A 29 2.155 5.679 -16.420 1.00 1.30 H new ATOM 0 HD22 LEU A 29 2.942 4.409 -15.453 1.00 1.30 H new ATOM 0 HD23 LEU A 29 3.262 6.124 -15.099 1.00 1.30 H new ATOM 453 N GLU A 30 7.628 2.712 -16.919 1.00 34.44 N ATOM 454 CA GLU A 30 7.870 1.366 -17.424 1.00 1.24 C ATOM 455 C GLU A 30 7.234 0.320 -16.512 1.00 64.40 C ATOM 456 O GLU A 30 7.132 0.517 -15.301 1.00 32.21 O ATOM 457 CB GLU A 30 9.374 1.105 -17.544 1.00 44.33 C ATOM 458 CG GLU A 30 9.761 0.344 -18.802 1.00 73.13 C ATOM 459 CD GLU A 30 9.265 1.017 -20.066 1.00 62.25 C ATOM 460 OE1 GLU A 30 9.837 2.059 -20.449 1.00 43.20 O ATOM 461 OE2 GLU A 30 8.303 0.501 -20.675 1.00 71.52 O ATOM 0 H GLU A 30 7.992 2.883 -15.982 1.00 34.44 H new ATOM 0 HA GLU A 30 7.414 1.289 -18.411 1.00 1.24 H new ATOM 0 HB2 GLU A 30 9.902 2.058 -17.529 1.00 44.33 H new ATOM 0 HB3 GLU A 30 9.707 0.542 -16.672 1.00 44.33 H new ATOM 0 HG2 GLU A 30 10.846 0.251 -18.846 1.00 73.13 H new ATOM 0 HG3 GLU A 30 9.356 -0.667 -18.750 1.00 73.13 H new ATOM 468 N TRP A 31 6.808 -0.790 -17.103 1.00 42.15 N ATOM 469 CA TRP A 31 6.181 -1.867 -16.346 1.00 34.13 C ATOM 470 C TRP A 31 6.932 -3.179 -16.540 1.00 23.42 C ATOM 471 O TRP A 31 7.326 -3.521 -17.656 1.00 11.45 O ATOM 472 CB TRP A 31 4.721 -2.033 -16.769 1.00 73.25 C ATOM 473 CG TRP A 31 3.906 -0.786 -16.598 1.00 24.21 C ATOM 474 CD1 TRP A 31 4.053 0.389 -17.279 1.00 64.31 C ATOM 475 CD2 TRP A 31 2.821 -0.591 -15.684 1.00 44.43 C ATOM 476 NE1 TRP A 31 3.124 1.303 -16.844 1.00 22.13 N ATOM 477 CE2 TRP A 31 2.356 0.727 -15.867 1.00 23.14 C ATOM 478 CE3 TRP A 31 2.196 -1.399 -14.733 1.00 12.44 C ATOM 479 CZ2 TRP A 31 1.296 1.250 -15.131 1.00 45.32 C ATOM 480 CZ3 TRP A 31 1.145 -0.877 -14.003 1.00 31.33 C ATOM 481 CH2 TRP A 31 0.703 0.437 -14.205 1.00 63.33 C ATOM 0 H TRP A 31 6.885 -0.968 -18.104 1.00 42.15 H new ATOM 0 HA TRP A 31 6.218 -1.603 -15.289 1.00 34.13 H new ATOM 0 HB2 TRP A 31 4.686 -2.341 -17.814 1.00 73.25 H new ATOM 0 HB3 TRP A 31 4.270 -2.836 -16.185 1.00 73.25 H new ATOM 0 HD1 TRP A 31 4.791 0.572 -18.046 1.00 64.31 H new ATOM 0 HE1 TRP A 31 3.023 2.256 -17.192 1.00 22.13 H new ATOM 0 HE3 TRP A 31 2.528 -2.414 -14.570 1.00 12.44 H new ATOM 0 HZ2 TRP A 31 0.954 2.263 -15.286 1.00 45.32 H new ATOM 0 HZ3 TRP A 31 0.656 -1.493 -13.263 1.00 31.33 H new ATOM 0 HH2 TRP A 31 -0.121 0.815 -13.619 1.00 63.33 H new ATOM 492 N LYS A 32 7.126 -3.912 -15.449 1.00 4.14 N ATOM 493 CA LYS A 32 7.830 -5.188 -15.499 1.00 2.43 C ATOM 494 C LYS A 32 7.110 -6.239 -14.661 1.00 1.45 C ATOM 495 O LYS A 32 6.621 -5.948 -13.568 1.00 72.04 O ATOM 496 CB LYS A 32 9.268 -5.022 -15.004 1.00 13.45 C ATOM 497 CG LYS A 32 10.315 -5.406 -16.034 1.00 31.11 C ATOM 498 CD LYS A 32 11.583 -5.923 -15.375 1.00 71.23 C ATOM 499 CE LYS A 32 12.759 -4.991 -15.622 1.00 43.21 C ATOM 500 NZ LYS A 32 13.177 -4.991 -17.051 1.00 63.33 N ATOM 0 H LYS A 32 6.805 -3.644 -14.519 1.00 4.14 H new ATOM 0 HA LYS A 32 7.847 -5.524 -16.536 1.00 2.43 H new ATOM 0 HB2 LYS A 32 9.424 -3.984 -14.709 1.00 13.45 H new ATOM 0 HB3 LYS A 32 9.408 -5.631 -14.111 1.00 13.45 H new ATOM 0 HG2 LYS A 32 9.911 -6.171 -16.697 1.00 31.11 H new ATOM 0 HG3 LYS A 32 10.552 -4.541 -16.653 1.00 31.11 H new ATOM 0 HD2 LYS A 32 11.420 -6.028 -14.302 1.00 71.23 H new ATOM 0 HD3 LYS A 32 11.816 -6.915 -15.761 1.00 71.23 H new ATOM 0 HE2 LYS A 32 12.489 -3.978 -15.323 1.00 43.21 H new ATOM 0 HE3 LYS A 32 13.600 -5.294 -14.998 1.00 43.21 H new ATOM 0 HZ1 LYS A 32 14.177 -4.715 -17.120 1.00 63.33 H new ATOM 0 HZ2 LYS A 32 13.052 -5.944 -17.449 1.00 63.33 H new ATOM 0 HZ3 LYS A 32 12.594 -4.314 -17.583 1.00 63.33 H new ATOM 514 N LEU A 33 7.051 -7.462 -15.176 1.00 54.02 N ATOM 515 CA LEU A 33 6.392 -8.557 -14.474 1.00 34.10 C ATOM 516 C LEU A 33 7.209 -9.841 -14.580 1.00 34.41 C ATOM 517 O LEU A 33 7.709 -10.183 -15.649 1.00 24.12 O ATOM 518 CB LEU A 33 4.989 -8.783 -15.040 1.00 4.24 C ATOM 519 CG LEU A 33 4.389 -10.170 -14.812 1.00 75.41 C ATOM 520 CD1 LEU A 33 4.260 -10.458 -13.324 1.00 43.13 C ATOM 521 CD2 LEU A 33 3.034 -10.284 -15.498 1.00 31.54 C ATOM 0 H LEU A 33 7.452 -7.720 -16.078 1.00 54.02 H new ATOM 0 HA LEU A 33 6.312 -8.285 -13.422 1.00 34.10 H new ATOM 0 HB2 LEU A 33 4.319 -8.043 -14.603 1.00 4.24 H new ATOM 0 HB3 LEU A 33 5.017 -8.593 -16.113 1.00 4.24 H new ATOM 0 HG LEU A 33 5.059 -10.911 -15.248 1.00 75.41 H new ATOM 0 HD11 LEU A 33 3.831 -11.450 -13.181 1.00 43.13 H new ATOM 0 HD12 LEU A 33 5.245 -10.418 -12.859 1.00 43.13 H new ATOM 0 HD13 LEU A 33 3.611 -9.712 -12.864 1.00 43.13 H new ATOM 0 HD21 LEU A 33 2.621 -11.278 -15.325 1.00 31.54 H new ATOM 0 HD22 LEU A 33 2.356 -9.534 -15.091 1.00 31.54 H new ATOM 0 HD23 LEU A 33 3.154 -10.122 -16.569 1.00 31.54 H new ATOM 533 N ASN A 34 7.337 -10.549 -13.462 1.00 73.24 N ATOM 534 CA ASN A 34 8.091 -11.797 -13.429 1.00 40.01 C ATOM 535 C ASN A 34 7.174 -12.979 -13.132 1.00 32.31 C ATOM 536 O ASN A 34 6.424 -12.969 -12.155 1.00 23.12 O ATOM 537 CB ASN A 34 9.199 -11.720 -12.377 1.00 4.04 C ATOM 538 CG ASN A 34 10.320 -10.784 -12.785 1.00 43.24 C ATOM 539 OD1 ASN A 34 10.205 -9.566 -12.654 1.00 45.44 O ATOM 540 ND2 ASN A 34 11.412 -11.351 -13.284 1.00 51.43 N ATOM 0 H ASN A 34 6.928 -10.280 -12.567 1.00 73.24 H new ATOM 0 HA ASN A 34 8.541 -11.947 -14.411 1.00 40.01 H new ATOM 0 HB2 ASN A 34 8.775 -11.384 -11.431 1.00 4.04 H new ATOM 0 HB3 ASN A 34 9.605 -12.717 -12.208 1.00 4.04 H new ATOM 0 HD21 ASN A 34 12.199 -10.772 -13.577 1.00 51.43 H new ATOM 0 HD22 ASN A 34 11.464 -12.366 -13.375 1.00 51.43 H new ATOM 547 N THR A 35 7.238 -14.000 -13.983 1.00 1.54 N ATOM 548 CA THR A 35 6.414 -15.189 -13.812 1.00 21.00 C ATOM 549 C THR A 35 7.209 -16.456 -14.109 1.00 41.51 C ATOM 550 O THR A 35 8.374 -16.392 -14.500 1.00 52.14 O ATOM 551 CB THR A 35 5.175 -15.149 -14.726 1.00 31.44 C ATOM 552 OG1 THR A 35 5.540 -15.507 -16.063 1.00 63.32 O ATOM 553 CG2 THR A 35 4.542 -13.766 -14.721 1.00 31.32 C ATOM 0 H THR A 35 7.852 -14.026 -14.797 1.00 1.54 H new ATOM 0 HA THR A 35 6.089 -15.202 -12.772 1.00 21.00 H new ATOM 0 HB THR A 35 4.447 -15.865 -14.344 1.00 31.44 H new ATOM 0 HG1 THR A 35 5.018 -16.286 -16.347 1.00 63.32 H new ATOM 0 HG21 THR A 35 3.669 -13.763 -15.374 1.00 31.32 H new ATOM 0 HG22 THR A 35 4.237 -13.509 -13.706 1.00 31.32 H new ATOM 0 HG23 THR A 35 5.265 -13.033 -15.079 1.00 31.32 H new ATOM 561 N GLY A 36 6.572 -17.607 -13.920 1.00 73.00 N ATOM 562 CA GLY A 36 7.235 -18.873 -14.173 1.00 21.03 C ATOM 563 C GLY A 36 8.278 -19.200 -13.123 1.00 32.22 C ATOM 564 O GLY A 36 8.006 -19.125 -11.924 1.00 32.24 O ATOM 0 H GLY A 36 5.608 -17.686 -13.596 1.00 73.00 H new ATOM 0 HA2 GLY A 36 6.492 -19.670 -14.203 1.00 21.03 H new ATOM 0 HA3 GLY A 36 7.709 -18.842 -15.154 1.00 21.03 H new ATOM 568 N ARG A 37 9.474 -19.567 -13.572 1.00 5.32 N ATOM 569 CA ARG A 37 10.560 -19.910 -12.662 1.00 31.14 C ATOM 570 C ARG A 37 11.681 -18.878 -12.740 1.00 24.54 C ATOM 571 O ARG A 37 12.301 -18.540 -11.731 1.00 54.24 O ATOM 572 CB ARG A 37 11.107 -21.301 -12.989 1.00 4.34 C ATOM 573 CG ARG A 37 10.297 -22.433 -12.381 1.00 33.25 C ATOM 574 CD ARG A 37 8.959 -22.600 -13.083 1.00 14.41 C ATOM 575 NE ARG A 37 9.116 -22.791 -14.522 1.00 11.13 N ATOM 576 CZ ARG A 37 8.126 -22.642 -15.395 1.00 44.41 C ATOM 577 NH1 ARG A 37 6.915 -22.299 -14.978 1.00 20.41 N ATOM 578 NH2 ARG A 37 8.348 -22.833 -16.690 1.00 73.21 N ATOM 0 H ARG A 37 9.715 -19.634 -14.561 1.00 5.32 H new ATOM 0 HA ARG A 37 10.163 -19.913 -11.647 1.00 31.14 H new ATOM 0 HB2 ARG A 37 11.134 -21.426 -14.071 1.00 4.34 H new ATOM 0 HB3 ARG A 37 12.135 -21.370 -12.634 1.00 4.34 H new ATOM 0 HG2 ARG A 37 10.862 -23.363 -12.447 1.00 33.25 H new ATOM 0 HG3 ARG A 37 10.131 -22.235 -11.322 1.00 33.25 H new ATOM 0 HD2 ARG A 37 8.432 -23.455 -12.659 1.00 14.41 H new ATOM 0 HD3 ARG A 37 8.341 -21.721 -12.899 1.00 14.41 H new ATOM 0 HE ARG A 37 10.036 -23.053 -14.876 1.00 11.13 H new ATOM 0 HH11 ARG A 37 6.741 -22.149 -13.984 1.00 20.41 H new ATOM 0 HH12 ARG A 37 6.157 -22.185 -15.651 1.00 20.41 H new ATOM 0 HH21 ARG A 37 9.279 -23.094 -17.015 1.00 73.21 H new ATOM 0 HH22 ARG A 37 7.588 -22.719 -17.360 1.00 73.21 H new ATOM 592 N THR A 38 11.939 -18.383 -13.946 1.00 4.30 N ATOM 593 CA THR A 38 12.987 -17.392 -14.158 1.00 50.21 C ATOM 594 C THR A 38 13.057 -16.969 -15.620 1.00 2.42 C ATOM 595 O THR A 38 13.430 -15.838 -15.931 1.00 72.33 O ATOM 596 CB THR A 38 14.364 -17.928 -13.723 1.00 60.21 C ATOM 597 OG1 THR A 38 15.281 -16.843 -13.549 1.00 43.22 O ATOM 598 CG2 THR A 38 14.914 -18.903 -14.754 1.00 24.31 C ATOM 0 H THR A 38 11.436 -18.652 -14.792 1.00 4.30 H new ATOM 0 HA THR A 38 12.732 -16.527 -13.545 1.00 50.21 H new ATOM 0 HB THR A 38 14.242 -18.454 -12.776 1.00 60.21 H new ATOM 0 HG1 THR A 38 16.153 -17.193 -13.271 1.00 43.22 H new ATOM 0 HG21 THR A 38 15.887 -19.269 -14.426 1.00 24.31 H new ATOM 0 HG22 THR A 38 14.228 -19.743 -14.862 1.00 24.31 H new ATOM 0 HG23 THR A 38 15.021 -18.396 -15.713 1.00 24.31 H new ATOM 606 N GLU A 39 12.697 -17.884 -16.514 1.00 63.34 N ATOM 607 CA GLU A 39 12.719 -17.604 -17.945 1.00 3.32 C ATOM 608 C GLU A 39 11.313 -17.322 -18.467 1.00 0.22 C ATOM 609 O GLU A 39 10.989 -17.643 -19.609 1.00 70.33 O ATOM 610 CB GLU A 39 13.332 -18.780 -18.708 1.00 31.41 C ATOM 611 CG GLU A 39 14.812 -18.982 -18.429 1.00 23.45 C ATOM 612 CD GLU A 39 15.259 -20.413 -18.658 1.00 13.22 C ATOM 613 OE1 GLU A 39 15.168 -20.886 -19.810 1.00 32.24 O ATOM 614 OE2 GLU A 39 15.700 -21.060 -17.684 1.00 31.42 O ATOM 0 H GLU A 39 12.387 -18.825 -16.273 1.00 63.34 H new ATOM 0 HA GLU A 39 13.332 -16.717 -18.106 1.00 3.32 H new ATOM 0 HB2 GLU A 39 12.794 -19.691 -18.447 1.00 31.41 H new ATOM 0 HB3 GLU A 39 13.191 -18.622 -19.777 1.00 31.41 H new ATOM 0 HG2 GLU A 39 15.392 -18.317 -19.069 1.00 23.45 H new ATOM 0 HG3 GLU A 39 15.025 -18.699 -17.398 1.00 23.45 H new ATOM 621 N ALA A 40 10.485 -16.720 -17.620 1.00 71.23 N ATOM 622 CA ALA A 40 9.114 -16.393 -17.995 1.00 21.51 C ATOM 623 C ALA A 40 8.821 -14.914 -17.770 1.00 43.01 C ATOM 624 O ALA A 40 7.751 -14.423 -18.128 1.00 10.03 O ATOM 625 CB ALA A 40 8.134 -17.253 -17.212 1.00 62.41 C ATOM 0 H ALA A 40 10.739 -16.449 -16.670 1.00 71.23 H new ATOM 0 HA ALA A 40 8.994 -16.602 -19.058 1.00 21.51 H new ATOM 0 HB1 ALA A 40 7.115 -16.998 -17.502 1.00 62.41 H new ATOM 0 HB2 ALA A 40 8.321 -18.305 -17.427 1.00 62.41 H new ATOM 0 HB3 ALA A 40 8.264 -17.073 -16.145 1.00 62.41 H new ATOM 631 N TRP A 41 9.777 -14.211 -17.176 1.00 1.43 N ATOM 632 CA TRP A 41 9.621 -12.786 -16.902 1.00 31.54 C ATOM 633 C TRP A 41 9.388 -12.007 -18.191 1.00 73.45 C ATOM 634 O TRP A 41 10.103 -12.189 -19.177 1.00 10.35 O ATOM 635 CB TRP A 41 10.857 -12.246 -16.181 1.00 13.41 C ATOM 636 CG TRP A 41 12.064 -12.148 -17.063 1.00 1.21 C ATOM 637 CD1 TRP A 41 12.622 -13.151 -17.804 1.00 12.50 C ATOM 638 CD2 TRP A 41 12.862 -10.982 -17.296 1.00 44.40 C ATOM 639 NE1 TRP A 41 13.719 -12.679 -18.483 1.00 11.32 N ATOM 640 CE2 TRP A 41 13.888 -11.351 -18.189 1.00 72.12 C ATOM 641 CE3 TRP A 41 12.810 -9.663 -16.840 1.00 15.32 C ATOM 642 CZ2 TRP A 41 14.850 -10.448 -18.631 1.00 12.55 C ATOM 643 CZ3 TRP A 41 13.767 -8.767 -17.279 1.00 54.13 C ATOM 644 CH2 TRP A 41 14.776 -9.163 -18.168 1.00 14.41 C ATOM 0 H TRP A 41 10.669 -14.603 -16.874 1.00 1.43 H new ATOM 0 HA TRP A 41 8.750 -12.658 -16.260 1.00 31.54 H new ATOM 0 HB2 TRP A 41 10.631 -11.260 -15.776 1.00 13.41 H new ATOM 0 HB3 TRP A 41 11.086 -12.893 -15.334 1.00 13.41 H new ATOM 0 HD1 TRP A 41 12.255 -14.166 -17.849 1.00 12.50 H new ATOM 0 HE1 TRP A 41 14.312 -13.228 -19.105 1.00 11.32 H new ATOM 0 HE3 TRP A 41 12.036 -9.348 -16.156 1.00 15.32 H new ATOM 0 HZ2 TRP A 41 15.628 -10.751 -19.316 1.00 12.55 H new ATOM 0 HZ3 TRP A 41 13.737 -7.745 -16.931 1.00 54.13 H new ATOM 0 HH2 TRP A 41 15.509 -8.440 -18.494 1.00 14.41 H new ATOM 655 N LYS A 42 8.383 -11.138 -18.178 1.00 12.31 N ATOM 656 CA LYS A 42 8.056 -10.329 -19.346 1.00 61.21 C ATOM 657 C LYS A 42 7.986 -8.849 -18.980 1.00 73.34 C ATOM 658 O LYS A 42 7.703 -8.495 -17.835 1.00 71.44 O ATOM 659 CB LYS A 42 6.723 -10.781 -19.948 1.00 51.43 C ATOM 660 CG LYS A 42 6.435 -12.258 -19.748 1.00 22.32 C ATOM 661 CD LYS A 42 5.633 -12.505 -18.482 1.00 11.54 C ATOM 662 CE LYS A 42 4.190 -12.051 -18.638 1.00 23.51 C ATOM 663 NZ LYS A 42 3.245 -12.950 -17.920 1.00 32.30 N ATOM 0 H LYS A 42 7.781 -10.976 -17.371 1.00 12.31 H new ATOM 0 HA LYS A 42 8.846 -10.465 -20.085 1.00 61.21 H new ATOM 0 HB2 LYS A 42 5.917 -10.199 -19.502 1.00 51.43 H new ATOM 0 HB3 LYS A 42 6.723 -10.561 -21.016 1.00 51.43 H new ATOM 0 HG2 LYS A 42 5.886 -12.642 -20.608 1.00 22.32 H new ATOM 0 HG3 LYS A 42 7.374 -12.809 -19.698 1.00 22.32 H new ATOM 0 HD2 LYS A 42 5.657 -13.567 -18.236 1.00 11.54 H new ATOM 0 HD3 LYS A 42 6.094 -11.975 -17.649 1.00 11.54 H new ATOM 0 HE2 LYS A 42 4.086 -11.035 -18.257 1.00 23.51 H new ATOM 0 HE3 LYS A 42 3.931 -12.022 -19.696 1.00 23.51 H new ATOM 0 HZ1 LYS A 42 2.352 -13.010 -18.450 1.00 32.30 H new ATOM 0 HZ2 LYS A 42 3.663 -13.899 -17.838 1.00 32.30 H new ATOM 0 HZ3 LYS A 42 3.059 -12.570 -16.970 1.00 32.30 H new ATOM 677 N VAL A 43 8.243 -7.989 -19.960 1.00 62.55 N ATOM 678 CA VAL A 43 8.205 -6.548 -19.743 1.00 21.13 C ATOM 679 C VAL A 43 6.896 -5.950 -20.243 1.00 61.13 C ATOM 680 O VAL A 43 6.547 -6.086 -21.417 1.00 74.13 O ATOM 681 CB VAL A 43 9.381 -5.844 -20.446 1.00 72.54 C ATOM 682 CG1 VAL A 43 9.295 -4.338 -20.250 1.00 11.33 C ATOM 683 CG2 VAL A 43 10.708 -6.382 -19.933 1.00 14.11 C ATOM 0 H VAL A 43 8.480 -8.266 -20.913 1.00 62.55 H new ATOM 0 HA VAL A 43 8.285 -6.388 -18.668 1.00 21.13 H new ATOM 0 HB VAL A 43 9.320 -6.052 -21.514 1.00 72.54 H new ATOM 0 HG11 VAL A 43 10.134 -3.857 -20.753 1.00 11.33 H new ATOM 0 HG12 VAL A 43 8.360 -3.969 -20.671 1.00 11.33 H new ATOM 0 HG13 VAL A 43 9.330 -4.107 -19.185 1.00 11.33 H new ATOM 0 HG21 VAL A 43 11.528 -5.873 -20.441 1.00 14.11 H new ATOM 0 HG22 VAL A 43 10.781 -6.207 -18.860 1.00 14.11 H new ATOM 0 HG23 VAL A 43 10.767 -7.452 -20.130 1.00 14.11 H new ATOM 693 N LEU A 44 6.174 -5.286 -19.348 1.00 33.12 N ATOM 694 CA LEU A 44 4.901 -4.666 -19.698 1.00 41.22 C ATOM 695 C LEU A 44 5.109 -3.237 -20.189 1.00 13.53 C ATOM 696 O LEU A 44 5.975 -2.517 -19.689 1.00 62.51 O ATOM 697 CB LEU A 44 3.959 -4.671 -18.493 1.00 5.05 C ATOM 698 CG LEU A 44 3.175 -5.963 -18.259 1.00 3.52 C ATOM 699 CD1 LEU A 44 2.447 -5.911 -16.925 1.00 34.41 C ATOM 700 CD2 LEU A 44 2.193 -6.204 -19.396 1.00 45.12 C ATOM 0 H LEU A 44 6.449 -5.163 -18.373 1.00 33.12 H new ATOM 0 HA LEU A 44 4.452 -5.247 -20.504 1.00 41.22 H new ATOM 0 HB2 LEU A 44 4.544 -4.458 -17.599 1.00 5.05 H new ATOM 0 HB3 LEU A 44 3.247 -3.854 -18.610 1.00 5.05 H new ATOM 0 HG LEU A 44 3.880 -6.794 -18.232 1.00 3.52 H new ATOM 0 HD11 LEU A 44 1.895 -6.839 -16.776 1.00 34.41 H new ATOM 0 HD12 LEU A 44 3.171 -5.786 -16.120 1.00 34.41 H new ATOM 0 HD13 LEU A 44 1.753 -5.071 -16.922 1.00 34.41 H new ATOM 0 HD21 LEU A 44 1.644 -7.128 -19.213 1.00 45.12 H new ATOM 0 HD22 LEU A 44 1.493 -5.371 -19.455 1.00 45.12 H new ATOM 0 HD23 LEU A 44 2.738 -6.286 -20.336 1.00 45.12 H new ATOM 712 N SER A 45 4.309 -2.831 -21.170 1.00 2.32 N ATOM 713 CA SER A 45 4.406 -1.487 -21.729 1.00 20.04 C ATOM 714 C SER A 45 3.049 -0.791 -21.711 1.00 31.01 C ATOM 715 O SER A 45 2.002 -1.421 -21.561 1.00 71.11 O ATOM 716 CB SER A 45 4.942 -1.547 -23.161 1.00 1.54 C ATOM 717 OG SER A 45 4.861 -2.861 -23.683 1.00 34.54 O ATOM 0 H SER A 45 3.587 -3.413 -21.594 1.00 2.32 H new ATOM 0 HA SER A 45 5.097 -0.912 -21.112 1.00 20.04 H new ATOM 0 HB2 SER A 45 4.373 -0.866 -23.794 1.00 1.54 H new ATOM 0 HB3 SER A 45 5.978 -1.209 -23.179 1.00 1.54 H new ATOM 0 HG SER A 45 5.208 -2.871 -24.599 1.00 34.54 H new ATOM 723 N PRO A 46 3.066 0.541 -21.868 1.00 15.15 N ATOM 724 CA PRO A 46 1.845 1.353 -21.873 1.00 11.34 C ATOM 725 C PRO A 46 1.000 1.119 -23.120 1.00 34.03 C ATOM 726 O PRO A 46 -0.077 1.698 -23.266 1.00 61.32 O ATOM 727 CB PRO A 46 2.375 2.789 -21.847 1.00 4.02 C ATOM 728 CG PRO A 46 3.735 2.701 -22.447 1.00 3.42 C ATOM 729 CD PRO A 46 4.278 1.357 -22.051 1.00 34.31 C ATOM 0 HA PRO A 46 1.190 1.111 -21.036 1.00 11.34 H new ATOM 0 HB2 PRO A 46 1.733 3.459 -22.419 1.00 4.02 H new ATOM 0 HB3 PRO A 46 2.415 3.178 -20.830 1.00 4.02 H new ATOM 0 HG2 PRO A 46 3.690 2.799 -23.532 1.00 3.42 H new ATOM 0 HG3 PRO A 46 4.375 3.504 -22.081 1.00 3.42 H new ATOM 0 HD2 PRO A 46 4.929 0.943 -22.822 1.00 34.31 H new ATOM 0 HD3 PRO A 46 4.866 1.415 -21.135 1.00 34.31 H new ATOM 737 N GLN A 47 1.493 0.268 -24.013 1.00 0.02 N ATOM 738 CA GLN A 47 0.781 -0.041 -25.247 1.00 45.22 C ATOM 739 C GLN A 47 0.619 -1.548 -25.420 1.00 55.32 C ATOM 740 O GLN A 47 1.381 -2.185 -26.145 1.00 73.41 O ATOM 741 CB GLN A 47 1.524 0.544 -26.450 1.00 13.41 C ATOM 742 CG GLN A 47 0.637 0.766 -27.664 1.00 70.50 C ATOM 743 CD GLN A 47 -0.544 1.668 -27.368 1.00 40.12 C ATOM 744 OE1 GLN A 47 -0.400 2.888 -27.275 1.00 24.53 O ATOM 745 NE2 GLN A 47 -1.721 1.074 -27.218 1.00 73.52 N ATOM 0 H GLN A 47 2.382 -0.220 -23.905 1.00 0.02 H new ATOM 0 HA GLN A 47 -0.210 0.409 -25.186 1.00 45.22 H new ATOM 0 HB2 GLN A 47 1.975 1.494 -26.161 1.00 13.41 H new ATOM 0 HB3 GLN A 47 2.339 -0.126 -26.724 1.00 13.41 H new ATOM 0 HG2 GLN A 47 1.230 1.203 -28.467 1.00 70.50 H new ATOM 0 HG3 GLN A 47 0.273 -0.196 -28.024 1.00 70.50 H new ATOM 0 HE21 GLN A 47 -1.795 0.060 -27.303 1.00 73.52 H new ATOM 0 HE22 GLN A 47 -2.552 1.631 -27.017 1.00 73.52 H new ATOM 852 N ALA A 56 -0.552 -8.397 -21.114 1.00 54.23 N ATOM 853 CA ALA A 56 -1.663 -7.583 -20.637 1.00 53.54 C ATOM 854 C ALA A 56 -1.609 -6.179 -21.229 1.00 52.32 C ATOM 855 O ALA A 56 -0.671 -5.834 -21.948 1.00 63.01 O ATOM 856 CB ALA A 56 -1.654 -7.517 -19.116 1.00 63.43 C ATOM 0 HA ALA A 56 -2.591 -8.052 -20.964 1.00 53.54 H new ATOM 0 HB1 ALA A 56 -2.489 -6.906 -18.773 1.00 63.43 H new ATOM 0 HB2 ALA A 56 -1.749 -8.523 -18.708 1.00 63.43 H new ATOM 0 HB3 ALA A 56 -0.717 -7.075 -18.777 1.00 63.43 H new ATOM 862 N ARG A 57 -2.621 -5.373 -20.923 1.00 42.14 N ATOM 863 CA ARG A 57 -2.689 -4.007 -21.428 1.00 20.04 C ATOM 864 C ARG A 57 -2.549 -3.000 -20.290 1.00 41.31 C ATOM 865 O ARG A 57 -2.755 -3.333 -19.123 1.00 10.33 O ATOM 866 CB ARG A 57 -4.009 -3.778 -22.165 1.00 44.14 C ATOM 867 CG ARG A 57 -4.448 -4.963 -23.010 1.00 42.04 C ATOM 868 CD ARG A 57 -5.628 -5.688 -22.384 1.00 33.15 C ATOM 869 NE ARG A 57 -6.860 -4.907 -22.471 1.00 14.45 N ATOM 870 CZ ARG A 57 -7.573 -4.783 -23.584 1.00 51.00 C ATOM 871 NH1 ARG A 57 -7.181 -5.386 -24.697 1.00 63.42 N ATOM 872 NH2 ARG A 57 -8.683 -4.055 -23.585 1.00 32.15 N ATOM 0 H ARG A 57 -3.405 -5.642 -20.328 1.00 42.14 H new ATOM 0 HA ARG A 57 -1.862 -3.862 -22.124 1.00 20.04 H new ATOM 0 HB2 ARG A 57 -4.788 -3.554 -21.436 1.00 44.14 H new ATOM 0 HB3 ARG A 57 -3.910 -2.902 -22.806 1.00 44.14 H new ATOM 0 HG2 ARG A 57 -4.719 -4.619 -24.008 1.00 42.04 H new ATOM 0 HG3 ARG A 57 -3.615 -5.656 -23.127 1.00 42.04 H new ATOM 0 HD2 ARG A 57 -5.771 -6.647 -22.883 1.00 33.15 H new ATOM 0 HD3 ARG A 57 -5.408 -5.903 -21.338 1.00 33.15 H new ATOM 0 HE ARG A 57 -7.190 -4.431 -21.631 1.00 14.45 H new ATOM 0 HH11 ARG A 57 -6.329 -5.947 -24.700 1.00 63.42 H new ATOM 0 HH12 ARG A 57 -7.731 -5.289 -25.551 1.00 63.42 H new ATOM 0 HH21 ARG A 57 -8.989 -3.590 -22.730 1.00 32.15 H new ATOM 0 HH22 ARG A 57 -9.230 -3.960 -24.441 1.00 32.15 H new ATOM 886 N VAL A 58 -2.197 -1.766 -20.638 1.00 41.11 N ATOM 887 CA VAL A 58 -2.030 -0.710 -19.647 1.00 10.25 C ATOM 888 C VAL A 58 -3.144 0.325 -19.753 1.00 14.14 C ATOM 889 O VAL A 58 -3.436 0.830 -20.837 1.00 21.31 O ATOM 890 CB VAL A 58 -0.670 -0.003 -19.804 1.00 13.34 C ATOM 891 CG1 VAL A 58 -0.701 1.367 -19.143 1.00 21.54 C ATOM 892 CG2 VAL A 58 0.446 -0.859 -19.224 1.00 53.31 C ATOM 0 H VAL A 58 -2.022 -1.473 -21.599 1.00 41.11 H new ATOM 0 HA VAL A 58 -2.073 -1.186 -18.667 1.00 10.25 H new ATOM 0 HB VAL A 58 -0.474 0.137 -20.867 1.00 13.34 H new ATOM 0 HG11 VAL A 58 0.268 1.851 -19.264 1.00 21.54 H new ATOM 0 HG12 VAL A 58 -1.473 1.979 -19.609 1.00 21.54 H new ATOM 0 HG13 VAL A 58 -0.920 1.254 -18.081 1.00 21.54 H new ATOM 0 HG21 VAL A 58 1.399 -0.344 -19.344 1.00 53.31 H new ATOM 0 HG22 VAL A 58 0.258 -1.033 -18.165 1.00 53.31 H new ATOM 0 HG23 VAL A 58 0.481 -1.814 -19.748 1.00 53.31 H new ATOM 902 N LEU A 59 -3.763 0.637 -18.620 1.00 0.13 N ATOM 903 CA LEU A 59 -4.846 1.613 -18.583 1.00 42.11 C ATOM 904 C LEU A 59 -4.324 3.018 -18.869 1.00 11.45 C ATOM 905 O LEU A 59 -3.138 3.310 -18.707 1.00 33.32 O ATOM 906 CB LEU A 59 -5.542 1.582 -17.222 1.00 21.00 C ATOM 907 CG LEU A 59 -6.527 0.434 -16.997 1.00 22.14 C ATOM 908 CD1 LEU A 59 -6.925 0.353 -15.532 1.00 73.44 C ATOM 909 CD2 LEU A 59 -7.755 0.604 -17.878 1.00 13.52 C ATOM 0 H LEU A 59 -3.533 0.228 -17.714 1.00 0.13 H new ATOM 0 HA LEU A 59 -5.566 1.349 -19.358 1.00 42.11 H new ATOM 0 HB2 LEU A 59 -4.777 1.535 -16.446 1.00 21.00 H new ATOM 0 HB3 LEU A 59 -6.075 2.523 -17.088 1.00 21.00 H new ATOM 0 HG LEU A 59 -6.036 -0.500 -17.271 1.00 22.14 H new ATOM 0 HD11 LEU A 59 -7.626 -0.469 -15.390 1.00 73.44 H new ATOM 0 HD12 LEU A 59 -6.037 0.182 -14.923 1.00 73.44 H new ATOM 0 HD13 LEU A 59 -7.397 1.288 -15.231 1.00 73.44 H new ATOM 0 HD21 LEU A 59 -8.445 -0.222 -17.704 1.00 13.52 H new ATOM 0 HD22 LEU A 59 -8.248 1.545 -17.637 1.00 13.52 H new ATOM 0 HD23 LEU A 59 -7.453 0.611 -18.925 1.00 13.52 H new ATOM 921 N PRO A 60 -5.227 3.910 -19.300 1.00 23.34 N ATOM 922 CA PRO A 60 -4.881 5.299 -19.613 1.00 63.43 C ATOM 923 C PRO A 60 -4.535 6.106 -18.367 1.00 53.44 C ATOM 924 O PRO A 60 -3.856 7.128 -18.446 1.00 0.11 O ATOM 925 CB PRO A 60 -6.153 5.843 -20.267 1.00 72.23 C ATOM 926 CG PRO A 60 -7.251 4.996 -19.721 1.00 44.12 C ATOM 927 CD PRO A 60 -6.657 3.631 -19.515 1.00 61.13 C ATOM 0 HA PRO A 60 -3.997 5.365 -20.248 1.00 63.43 H new ATOM 0 HB2 PRO A 60 -6.305 6.894 -20.023 1.00 72.23 H new ATOM 0 HB3 PRO A 60 -6.101 5.772 -21.353 1.00 72.23 H new ATOM 0 HG2 PRO A 60 -7.628 5.403 -18.783 1.00 44.12 H new ATOM 0 HG3 PRO A 60 -8.093 4.955 -20.412 1.00 44.12 H new ATOM 0 HD2 PRO A 60 -7.101 3.125 -18.658 1.00 61.13 H new ATOM 0 HD3 PRO A 60 -6.815 2.989 -20.381 1.00 61.13 H new ATOM 935 N ASN A 61 -5.008 5.639 -17.216 1.00 14.24 N ATOM 936 CA ASN A 61 -4.749 6.318 -15.952 1.00 13.02 C ATOM 937 C ASN A 61 -3.411 5.882 -15.364 1.00 14.22 C ATOM 938 O ASN A 61 -3.021 6.325 -14.284 1.00 20.22 O ATOM 939 CB ASN A 61 -5.874 6.031 -14.955 1.00 0.41 C ATOM 940 CG ASN A 61 -6.376 4.604 -15.044 1.00 70.44 C ATOM 941 OD1 ASN A 61 -7.063 4.233 -15.997 1.00 54.34 O ATOM 942 ND2 ASN A 61 -6.034 3.793 -14.050 1.00 21.31 N ATOM 0 H ASN A 61 -5.572 4.793 -17.133 1.00 14.24 H new ATOM 0 HA ASN A 61 -4.709 7.390 -16.146 1.00 13.02 H new ATOM 0 HB2 ASN A 61 -5.517 6.225 -13.943 1.00 0.41 H new ATOM 0 HB3 ASN A 61 -6.702 6.716 -15.138 1.00 0.41 H new ATOM 0 HD21 ASN A 61 -6.342 2.821 -14.056 1.00 21.31 H new ATOM 0 HD22 ASN A 61 -5.463 4.142 -13.280 1.00 21.31 H new ATOM 949 N GLY A 62 -2.711 5.010 -16.083 1.00 63.11 N ATOM 950 CA GLY A 62 -1.424 4.528 -15.618 1.00 31.04 C ATOM 951 C GLY A 62 -1.540 3.253 -14.806 1.00 71.13 C ATOM 952 O GLY A 62 -0.740 3.008 -13.903 1.00 63.05 O ATOM 0 H GLY A 62 -3.013 4.629 -16.980 1.00 63.11 H new ATOM 0 HA2 GLY A 62 -0.775 4.351 -16.475 1.00 31.04 H new ATOM 0 HA3 GLY A 62 -0.948 5.299 -15.012 1.00 31.04 H new ATOM 956 N SER A 63 -2.540 2.439 -15.127 1.00 62.44 N ATOM 957 CA SER A 63 -2.762 1.184 -14.418 1.00 73.51 C ATOM 958 C SER A 63 -2.487 -0.011 -15.327 1.00 50.34 C ATOM 959 O SER A 63 -2.122 0.152 -16.492 1.00 54.02 O ATOM 960 CB SER A 63 -4.198 1.119 -13.892 1.00 5.13 C ATOM 961 OG SER A 63 -4.276 1.604 -12.562 1.00 65.34 O ATOM 0 H SER A 63 -3.210 2.626 -15.873 1.00 62.44 H new ATOM 0 HA SER A 63 -2.071 1.144 -13.576 1.00 73.51 H new ATOM 0 HB2 SER A 63 -4.852 1.707 -14.536 1.00 5.13 H new ATOM 0 HB3 SER A 63 -4.556 0.090 -13.929 1.00 5.13 H new ATOM 0 HG SER A 63 -5.203 1.554 -12.249 1.00 65.34 H new ATOM 967 N LEU A 64 -2.665 -1.211 -14.785 1.00 43.24 N ATOM 968 CA LEU A 64 -2.436 -2.434 -15.547 1.00 53.14 C ATOM 969 C LEU A 64 -3.637 -3.370 -15.446 1.00 2.43 C ATOM 970 O LEU A 64 -4.104 -3.681 -14.351 1.00 1.20 O ATOM 971 CB LEU A 64 -1.178 -3.143 -15.043 1.00 12.45 C ATOM 972 CG LEU A 64 -0.979 -4.580 -15.525 1.00 32.43 C ATOM 973 CD1 LEU A 64 -0.716 -4.610 -17.022 1.00 11.15 C ATOM 974 CD2 LEU A 64 0.162 -5.244 -14.768 1.00 2.35 C ATOM 0 H LEU A 64 -2.967 -1.363 -13.823 1.00 43.24 H new ATOM 0 HA LEU A 64 -2.298 -2.162 -16.593 1.00 53.14 H new ATOM 0 HB2 LEU A 64 -0.310 -2.557 -15.344 1.00 12.45 H new ATOM 0 HB3 LEU A 64 -1.199 -3.146 -13.953 1.00 12.45 H new ATOM 0 HG LEU A 64 -1.894 -5.139 -15.327 1.00 32.43 H new ATOM 0 HD11 LEU A 64 -0.577 -5.641 -17.346 1.00 11.15 H new ATOM 0 HD12 LEU A 64 -1.565 -4.175 -17.549 1.00 11.15 H new ATOM 0 HD13 LEU A 64 0.183 -4.035 -17.245 1.00 11.15 H new ATOM 0 HD21 LEU A 64 0.289 -6.266 -15.124 1.00 2.35 H new ATOM 0 HD22 LEU A 64 1.083 -4.685 -14.934 1.00 2.35 H new ATOM 0 HD23 LEU A 64 -0.067 -5.257 -13.702 1.00 2.35 H new ATOM 986 N PHE A 65 -4.128 -3.817 -16.597 1.00 33.24 N ATOM 987 CA PHE A 65 -5.273 -4.720 -16.639 1.00 55.13 C ATOM 988 C PHE A 65 -4.949 -5.972 -17.448 1.00 61.20 C ATOM 989 O PHE A 65 -4.340 -5.896 -18.515 1.00 3.23 O ATOM 990 CB PHE A 65 -6.488 -4.010 -17.241 1.00 4.43 C ATOM 991 CG PHE A 65 -7.740 -4.837 -17.214 1.00 70.15 C ATOM 992 CD1 PHE A 65 -7.949 -5.832 -18.156 1.00 20.54 C ATOM 993 CD2 PHE A 65 -8.709 -4.620 -16.249 1.00 74.31 C ATOM 994 CE1 PHE A 65 -9.101 -6.596 -18.134 1.00 20.23 C ATOM 995 CE2 PHE A 65 -9.864 -5.381 -16.221 1.00 4.45 C ATOM 996 CZ PHE A 65 -10.060 -6.369 -17.166 1.00 14.01 C ATOM 0 H PHE A 65 -3.752 -3.569 -17.512 1.00 33.24 H new ATOM 0 HA PHE A 65 -5.505 -5.019 -15.617 1.00 55.13 H new ATOM 0 HB2 PHE A 65 -6.663 -3.082 -16.696 1.00 4.43 H new ATOM 0 HB3 PHE A 65 -6.265 -3.737 -18.272 1.00 4.43 H new ATOM 0 HD1 PHE A 65 -7.203 -6.013 -18.916 1.00 20.54 H new ATOM 0 HD2 PHE A 65 -8.561 -3.847 -15.509 1.00 74.31 H new ATOM 0 HE1 PHE A 65 -9.251 -7.369 -18.873 1.00 20.23 H new ATOM 0 HE2 PHE A 65 -10.611 -5.203 -15.462 1.00 4.45 H new ATOM 0 HZ PHE A 65 -10.962 -6.963 -17.148 1.00 14.01 H new ATOM 1006 N LEU A 66 -5.362 -7.125 -16.932 1.00 10.25 N ATOM 1007 CA LEU A 66 -5.115 -8.396 -17.605 1.00 64.21 C ATOM 1008 C LEU A 66 -6.425 -9.038 -18.052 1.00 45.50 C ATOM 1009 O LEU A 66 -7.387 -9.138 -17.292 1.00 34.13 O ATOM 1010 CB LEU A 66 -4.357 -9.349 -16.678 1.00 43.15 C ATOM 1011 CG LEU A 66 -2.928 -8.941 -16.320 1.00 0.32 C ATOM 1012 CD1 LEU A 66 -2.790 -8.741 -14.819 1.00 63.03 C ATOM 1013 CD2 LEU A 66 -1.936 -9.984 -16.814 1.00 44.34 C ATOM 0 H LEU A 66 -5.869 -7.206 -16.051 1.00 10.25 H new ATOM 0 HA LEU A 66 -4.507 -8.199 -18.488 1.00 64.21 H new ATOM 0 HB2 LEU A 66 -4.926 -9.454 -15.754 1.00 43.15 H new ATOM 0 HB3 LEU A 66 -4.326 -10.332 -17.147 1.00 43.15 H new ATOM 0 HG LEU A 66 -2.706 -7.995 -16.814 1.00 0.32 H new ATOM 0 HD11 LEU A 66 -1.766 -8.451 -14.583 1.00 63.03 H new ATOM 0 HD12 LEU A 66 -3.474 -7.957 -14.492 1.00 63.03 H new ATOM 0 HD13 LEU A 66 -3.031 -9.671 -14.304 1.00 63.03 H new ATOM 0 HD21 LEU A 66 -0.924 -9.677 -16.550 1.00 44.34 H new ATOM 0 HD22 LEU A 66 -2.157 -10.945 -16.349 1.00 44.34 H new ATOM 0 HD23 LEU A 66 -2.016 -10.078 -17.897 1.00 44.34 H new ATOM 1025 N PRO A 67 -6.463 -9.486 -19.316 1.00 43.23 N ATOM 1026 CA PRO A 67 -7.648 -10.128 -19.893 1.00 12.40 C ATOM 1027 C PRO A 67 -7.909 -11.505 -19.293 1.00 74.11 C ATOM 1028 O PRO A 67 -9.059 -11.920 -19.145 1.00 41.11 O ATOM 1029 CB PRO A 67 -7.299 -10.249 -21.378 1.00 13.31 C ATOM 1030 CG PRO A 67 -5.810 -10.271 -21.416 1.00 10.31 C ATOM 1031 CD PRO A 67 -5.353 -9.399 -20.280 1.00 73.51 C ATOM 0 HA PRO A 67 -8.556 -9.557 -19.701 1.00 12.40 H new ATOM 0 HB2 PRO A 67 -7.720 -11.157 -21.811 1.00 13.31 H new ATOM 0 HB3 PRO A 67 -7.697 -9.410 -21.948 1.00 13.31 H new ATOM 0 HG2 PRO A 67 -5.432 -11.287 -21.304 1.00 10.31 H new ATOM 0 HG3 PRO A 67 -5.439 -9.896 -22.370 1.00 10.31 H new ATOM 0 HD2 PRO A 67 -4.418 -9.757 -19.850 1.00 73.51 H new ATOM 0 HD3 PRO A 67 -5.182 -8.373 -20.605 1.00 73.51 H new ATOM 1039 N ALA A 68 -6.837 -12.210 -18.950 1.00 12.54 N ATOM 1040 CA ALA A 68 -6.950 -13.540 -18.364 1.00 62.11 C ATOM 1041 C ALA A 68 -5.598 -14.039 -17.866 1.00 53.41 C ATOM 1042 O ALA A 68 -4.768 -14.499 -18.650 1.00 50.21 O ATOM 1043 CB ALA A 68 -7.534 -14.515 -19.377 1.00 55.50 C ATOM 0 H ALA A 68 -5.878 -11.882 -19.068 1.00 12.54 H new ATOM 0 HA ALA A 68 -7.621 -13.476 -17.508 1.00 62.11 H new ATOM 0 HB1 ALA A 68 -7.613 -15.504 -18.926 1.00 55.50 H new ATOM 0 HB2 ALA A 68 -8.524 -14.175 -19.681 1.00 55.50 H new ATOM 0 HB3 ALA A 68 -6.884 -14.565 -20.250 1.00 55.50 H new ATOM 1049 N VAL A 69 -5.383 -13.944 -16.558 1.00 41.41 N ATOM 1050 CA VAL A 69 -4.131 -14.385 -15.955 1.00 24.13 C ATOM 1051 C VAL A 69 -4.053 -15.907 -15.901 1.00 72.23 C ATOM 1052 O VAL A 69 -4.813 -16.552 -15.179 1.00 12.21 O ATOM 1053 CB VAL A 69 -3.964 -13.823 -14.531 1.00 24.11 C ATOM 1054 CG1 VAL A 69 -3.717 -12.323 -14.575 1.00 4.31 C ATOM 1055 CG2 VAL A 69 -5.186 -14.146 -13.685 1.00 52.13 C ATOM 0 H VAL A 69 -6.060 -13.565 -15.895 1.00 41.41 H new ATOM 0 HA VAL A 69 -3.326 -14.004 -16.584 1.00 24.13 H new ATOM 0 HB VAL A 69 -3.097 -14.296 -14.071 1.00 24.11 H new ATOM 0 HG11 VAL A 69 -3.601 -11.943 -13.560 1.00 4.31 H new ATOM 0 HG12 VAL A 69 -2.810 -12.120 -15.144 1.00 4.31 H new ATOM 0 HG13 VAL A 69 -4.563 -11.829 -15.053 1.00 4.31 H new ATOM 0 HG21 VAL A 69 -5.051 -13.742 -12.682 1.00 52.13 H new ATOM 0 HG22 VAL A 69 -6.071 -13.701 -14.140 1.00 52.13 H new ATOM 0 HG23 VAL A 69 -5.313 -15.227 -13.626 1.00 52.13 H new ATOM 1065 N GLY A 70 -3.131 -16.475 -16.670 1.00 24.13 N ATOM 1066 CA GLY A 70 -2.971 -17.918 -16.695 1.00 0.21 C ATOM 1067 C GLY A 70 -2.076 -18.421 -15.580 1.00 71.12 C ATOM 1068 O GLY A 70 -1.334 -17.648 -14.973 1.00 71.32 O ATOM 0 H GLY A 70 -2.491 -15.962 -17.277 1.00 24.13 H new ATOM 0 HA2 GLY A 70 -3.950 -18.391 -16.612 1.00 0.21 H new ATOM 0 HA3 GLY A 70 -2.553 -18.218 -17.656 1.00 0.21 H new ATOM 1072 N ILE A 71 -2.147 -19.720 -15.308 1.00 2.33 N ATOM 1073 CA ILE A 71 -1.337 -20.324 -14.257 1.00 33.54 C ATOM 1074 C ILE A 71 0.144 -20.029 -14.466 1.00 34.52 C ATOM 1075 O ILE A 71 0.907 -19.929 -13.506 1.00 4.23 O ATOM 1076 CB ILE A 71 -1.542 -21.850 -14.196 1.00 64.02 C ATOM 1077 CG1 ILE A 71 -1.317 -22.361 -12.772 1.00 15.33 C ATOM 1078 CG2 ILE A 71 -0.606 -22.550 -15.170 1.00 11.52 C ATOM 1079 CD1 ILE A 71 -0.450 -23.598 -12.704 1.00 21.24 C ATOM 0 H ILE A 71 -2.756 -20.374 -15.800 1.00 2.33 H new ATOM 0 HA ILE A 71 -1.663 -19.884 -13.315 1.00 33.54 H new ATOM 0 HB ILE A 71 -2.569 -22.075 -14.484 1.00 64.02 H new ATOM 0 HG12 ILE A 71 -0.856 -21.571 -12.180 1.00 15.33 H new ATOM 0 HG13 ILE A 71 -2.283 -22.579 -12.316 1.00 15.33 H new ATOM 0 HG21 ILE A 71 -0.763 -23.627 -15.115 1.00 11.52 H new ATOM 0 HG22 ILE A 71 -0.811 -22.205 -16.183 1.00 11.52 H new ATOM 0 HG23 ILE A 71 0.427 -22.320 -14.910 1.00 11.52 H new ATOM 0 HD11 ILE A 71 -0.333 -23.904 -11.664 1.00 21.24 H new ATOM 0 HD12 ILE A 71 -0.920 -24.403 -13.268 1.00 21.24 H new ATOM 0 HD13 ILE A 71 0.529 -23.380 -13.130 1.00 21.24 H new ATOM 1091 N GLN A 72 0.542 -19.891 -15.727 1.00 11.30 N ATOM 1092 CA GLN A 72 1.932 -19.606 -16.061 1.00 20.51 C ATOM 1093 C GLN A 72 2.270 -18.144 -15.789 1.00 71.04 C ATOM 1094 O GLN A 72 3.434 -17.789 -15.602 1.00 75.14 O ATOM 1095 CB GLN A 72 2.205 -19.940 -17.529 1.00 32.42 C ATOM 1096 CG GLN A 72 1.260 -19.245 -18.496 1.00 45.34 C ATOM 1097 CD GLN A 72 1.682 -19.409 -19.943 1.00 11.31 C ATOM 1098 OE1 GLN A 72 1.716 -18.443 -20.705 1.00 64.34 O ATOM 1099 NE2 GLN A 72 2.007 -20.637 -20.329 1.00 40.21 N ATOM 0 H GLN A 72 -0.078 -19.972 -16.533 1.00 11.30 H new ATOM 0 HA GLN A 72 2.565 -20.229 -15.430 1.00 20.51 H new ATOM 0 HB2 GLN A 72 3.230 -19.661 -17.772 1.00 32.42 H new ATOM 0 HB3 GLN A 72 2.126 -21.018 -17.669 1.00 32.42 H new ATOM 0 HG2 GLN A 72 0.255 -19.646 -18.367 1.00 45.34 H new ATOM 0 HG3 GLN A 72 1.214 -18.183 -18.253 1.00 45.34 H new ATOM 0 HE21 GLN A 72 1.964 -21.409 -19.664 1.00 40.21 H new ATOM 0 HE22 GLN A 72 2.299 -20.809 -21.291 1.00 40.21 H new ATOM 1108 N ASP A 73 1.244 -17.300 -15.769 1.00 13.24 N ATOM 1109 CA ASP A 73 1.431 -15.876 -15.519 1.00 51.14 C ATOM 1110 C ASP A 73 1.697 -15.613 -14.040 1.00 24.43 C ATOM 1111 O ASP A 73 1.974 -14.483 -13.641 1.00 21.14 O ATOM 1112 CB ASP A 73 0.200 -15.090 -15.975 1.00 42.35 C ATOM 1113 CG ASP A 73 0.377 -14.486 -17.354 1.00 50.51 C ATOM 1114 OD1 ASP A 73 0.459 -15.255 -18.334 1.00 73.02 O ATOM 1115 OD2 ASP A 73 0.433 -13.242 -17.453 1.00 4.21 O ATOM 0 H ASP A 73 0.275 -17.578 -15.923 1.00 13.24 H new ATOM 0 HA ASP A 73 2.298 -15.544 -16.090 1.00 51.14 H new ATOM 0 HB2 ASP A 73 -0.668 -15.750 -15.979 1.00 42.35 H new ATOM 0 HB3 ASP A 73 -0.007 -14.296 -15.258 1.00 42.35 H new ATOM 1120 N GLU A 74 1.612 -16.666 -13.233 1.00 33.52 N ATOM 1121 CA GLU A 74 1.843 -16.549 -11.798 1.00 52.53 C ATOM 1122 C GLU A 74 3.268 -16.084 -11.512 1.00 63.41 C ATOM 1123 O GLU A 74 4.211 -16.484 -12.194 1.00 30.41 O ATOM 1124 CB GLU A 74 1.582 -17.888 -11.105 1.00 42.51 C ATOM 1125 CG GLU A 74 0.729 -17.770 -9.854 1.00 12.11 C ATOM 1126 CD GLU A 74 0.942 -18.922 -8.891 1.00 41.31 C ATOM 1127 OE1 GLU A 74 2.061 -19.475 -8.866 1.00 41.40 O ATOM 1128 OE2 GLU A 74 -0.012 -19.271 -8.163 1.00 62.23 O ATOM 0 H GLU A 74 1.385 -17.609 -13.548 1.00 33.52 H new ATOM 0 HA GLU A 74 1.151 -15.804 -11.405 1.00 52.53 H new ATOM 0 HB2 GLU A 74 1.091 -18.561 -11.807 1.00 42.51 H new ATOM 0 HB3 GLU A 74 2.537 -18.343 -10.842 1.00 42.51 H new ATOM 0 HG2 GLU A 74 0.959 -16.832 -9.349 1.00 12.11 H new ATOM 0 HG3 GLU A 74 -0.322 -17.729 -10.138 1.00 12.11 H new ATOM 1135 N GLY A 75 3.417 -15.236 -10.499 1.00 20.53 N ATOM 1136 CA GLY A 75 4.729 -14.732 -10.140 1.00 62.31 C ATOM 1137 C GLY A 75 4.658 -13.431 -9.366 1.00 61.24 C ATOM 1138 O GLY A 75 3.762 -13.239 -8.544 1.00 42.42 O ATOM 0 H GLY A 75 2.652 -14.889 -9.920 1.00 20.53 H new ATOM 0 HA2 GLY A 75 5.251 -15.479 -9.542 1.00 62.31 H new ATOM 0 HA3 GLY A 75 5.317 -14.581 -11.045 1.00 62.31 H new ATOM 1142 N ILE A 76 5.605 -12.536 -9.627 1.00 64.34 N ATOM 1143 CA ILE A 76 5.646 -11.247 -8.948 1.00 70.34 C ATOM 1144 C ILE A 76 5.637 -10.097 -9.951 1.00 15.11 C ATOM 1145 O ILE A 76 6.380 -10.109 -10.932 1.00 14.45 O ATOM 1146 CB ILE A 76 6.892 -11.121 -8.052 1.00 33.41 C ATOM 1147 CG1 ILE A 76 6.724 -11.968 -6.788 1.00 21.11 C ATOM 1148 CG2 ILE A 76 7.140 -9.665 -7.692 1.00 12.22 C ATOM 1149 CD1 ILE A 76 7.909 -12.863 -6.499 1.00 40.42 C ATOM 0 H ILE A 76 6.354 -12.680 -10.304 1.00 64.34 H new ATOM 0 HA ILE A 76 4.754 -11.191 -8.325 1.00 70.34 H new ATOM 0 HB ILE A 76 7.757 -11.490 -8.602 1.00 33.41 H new ATOM 0 HG12 ILE A 76 6.562 -11.307 -5.936 1.00 21.11 H new ATOM 0 HG13 ILE A 76 5.830 -12.583 -6.889 1.00 21.11 H new ATOM 0 HG21 ILE A 76 8.024 -9.592 -7.058 1.00 12.22 H new ATOM 0 HG22 ILE A 76 7.298 -9.087 -8.602 1.00 12.22 H new ATOM 0 HG23 ILE A 76 6.276 -9.270 -7.157 1.00 12.22 H new ATOM 0 HD11 ILE A 76 7.721 -13.434 -5.590 1.00 40.42 H new ATOM 0 HD12 ILE A 76 8.059 -13.548 -7.333 1.00 40.42 H new ATOM 0 HD13 ILE A 76 8.802 -12.253 -6.366 1.00 40.42 H new ATOM 1161 N PHE A 77 4.791 -9.104 -9.696 1.00 12.12 N ATOM 1162 CA PHE A 77 4.685 -7.946 -10.575 1.00 41.44 C ATOM 1163 C PHE A 77 5.367 -6.729 -9.955 1.00 41.24 C ATOM 1164 O PHE A 77 5.268 -6.495 -8.750 1.00 64.52 O ATOM 1165 CB PHE A 77 3.216 -7.629 -10.863 1.00 21.10 C ATOM 1166 CG PHE A 77 2.984 -6.216 -11.314 1.00 42.33 C ATOM 1167 CD1 PHE A 77 2.733 -5.213 -10.392 1.00 52.41 C ATOM 1168 CD2 PHE A 77 3.018 -5.890 -12.661 1.00 14.42 C ATOM 1169 CE1 PHE A 77 2.519 -3.910 -10.804 1.00 11.02 C ATOM 1170 CE2 PHE A 77 2.806 -4.590 -13.078 1.00 40.32 C ATOM 1171 CZ PHE A 77 2.554 -3.599 -12.149 1.00 25.24 C ATOM 0 H PHE A 77 4.169 -9.078 -8.888 1.00 12.12 H new ATOM 0 HA PHE A 77 5.188 -8.186 -11.512 1.00 41.44 H new ATOM 0 HB2 PHE A 77 2.849 -8.311 -11.630 1.00 21.10 H new ATOM 0 HB3 PHE A 77 2.629 -7.816 -9.963 1.00 21.10 H new ATOM 0 HD1 PHE A 77 2.704 -5.451 -9.339 1.00 52.41 H new ATOM 0 HD2 PHE A 77 3.212 -6.661 -13.392 1.00 14.42 H new ATOM 0 HE1 PHE A 77 2.325 -3.137 -10.075 1.00 11.02 H new ATOM 0 HE2 PHE A 77 2.837 -4.349 -14.130 1.00 40.32 H new ATOM 0 HZ PHE A 77 2.385 -2.583 -12.474 1.00 25.24 H new ATOM 1181 N ARG A 78 6.059 -5.958 -10.788 1.00 22.22 N ATOM 1182 CA ARG A 78 6.759 -4.767 -10.323 1.00 13.13 C ATOM 1183 C ARG A 78 6.518 -3.592 -11.266 1.00 53.13 C ATOM 1184 O ARG A 78 6.456 -3.762 -12.484 1.00 51.23 O ATOM 1185 CB ARG A 78 8.259 -5.043 -10.208 1.00 14.25 C ATOM 1186 CG ARG A 78 8.586 -6.321 -9.452 1.00 30.42 C ATOM 1187 CD ARG A 78 9.940 -6.880 -9.865 1.00 55.12 C ATOM 1188 NE ARG A 78 10.689 -7.396 -8.723 1.00 2.33 N ATOM 1189 CZ ARG A 78 11.796 -8.123 -8.837 1.00 52.05 C ATOM 1190 NH1 ARG A 78 12.278 -8.416 -10.037 1.00 31.03 N ATOM 1191 NH2 ARG A 78 12.421 -8.556 -7.751 1.00 23.12 N ATOM 0 H ARG A 78 6.150 -6.137 -11.788 1.00 22.22 H new ATOM 0 HA ARG A 78 6.368 -4.507 -9.339 1.00 13.13 H new ATOM 0 HB2 ARG A 78 8.687 -5.103 -11.209 1.00 14.25 H new ATOM 0 HB3 ARG A 78 8.737 -4.202 -9.707 1.00 14.25 H new ATOM 0 HG2 ARG A 78 8.584 -6.122 -8.380 1.00 30.42 H new ATOM 0 HG3 ARG A 78 7.811 -7.065 -9.639 1.00 30.42 H new ATOM 0 HD2 ARG A 78 9.796 -7.677 -10.594 1.00 55.12 H new ATOM 0 HD3 ARG A 78 10.520 -6.099 -10.356 1.00 55.12 H new ATOM 0 HE ARG A 78 10.344 -7.187 -7.786 1.00 2.33 H new ATOM 0 HH11 ARG A 78 11.799 -8.083 -10.874 1.00 31.03 H new ATOM 0 HH12 ARG A 78 13.128 -8.974 -10.123 1.00 31.03 H new ATOM 0 HH21 ARG A 78 12.052 -8.331 -6.827 1.00 23.12 H new ATOM 0 HH22 ARG A 78 13.270 -9.114 -7.840 1.00 23.12 H new ATOM 1205 N CYS A 79 6.383 -2.399 -10.695 1.00 70.01 N ATOM 1206 CA CYS A 79 6.148 -1.196 -11.484 1.00 74.20 C ATOM 1207 C CYS A 79 7.163 -0.111 -11.136 1.00 13.45 C ATOM 1208 O CYS A 79 7.727 -0.104 -10.041 1.00 41.21 O ATOM 1209 CB CYS A 79 4.729 -0.676 -11.248 1.00 70.11 C ATOM 1210 SG CYS A 79 4.652 0.870 -10.287 1.00 63.51 S ATOM 0 H CYS A 79 6.432 -2.240 -9.689 1.00 70.01 H new ATOM 0 HA CYS A 79 6.264 -1.453 -12.537 1.00 74.20 H new ATOM 0 HB2 CYS A 79 4.247 -0.516 -12.213 1.00 70.11 H new ATOM 0 HB3 CYS A 79 4.154 -1.443 -10.728 1.00 70.11 H new ATOM 1215 N GLN A 80 7.390 0.803 -12.073 1.00 22.42 N ATOM 1216 CA GLN A 80 8.336 1.892 -11.865 1.00 23.15 C ATOM 1217 C GLN A 80 7.808 3.193 -12.459 1.00 5.52 C ATOM 1218 O GLN A 80 7.397 3.236 -13.617 1.00 44.41 O ATOM 1219 CB GLN A 80 9.689 1.545 -12.490 1.00 10.45 C ATOM 1220 CG GLN A 80 9.601 1.154 -13.955 1.00 31.21 C ATOM 1221 CD GLN A 80 10.964 0.987 -14.599 1.00 53.10 C ATOM 1222 OE1 GLN A 80 11.323 -0.103 -15.044 1.00 43.35 O ATOM 1223 NE2 GLN A 80 11.731 2.070 -14.650 1.00 34.34 N ATOM 0 H GLN A 80 6.931 0.811 -12.984 1.00 22.42 H new ATOM 0 HA GLN A 80 8.463 2.030 -10.791 1.00 23.15 H new ATOM 0 HB2 GLN A 80 10.356 2.402 -12.391 1.00 10.45 H new ATOM 0 HB3 GLN A 80 10.138 0.725 -11.930 1.00 10.45 H new ATOM 0 HG2 GLN A 80 9.044 0.221 -14.045 1.00 31.21 H new ATOM 0 HG3 GLN A 80 9.038 1.914 -14.497 1.00 31.21 H new ATOM 0 HE21 GLN A 80 11.392 2.953 -14.268 1.00 34.34 H new ATOM 0 HE22 GLN A 80 12.659 2.019 -15.071 1.00 34.34 H new ATOM 1232 N ALA A 81 7.822 4.252 -11.655 1.00 44.15 N ATOM 1233 CA ALA A 81 7.346 5.556 -12.102 1.00 72.24 C ATOM 1234 C ALA A 81 8.346 6.654 -11.756 1.00 31.20 C ATOM 1235 O ALA A 81 9.219 6.467 -10.909 1.00 20.32 O ATOM 1236 CB ALA A 81 5.989 5.861 -11.486 1.00 14.21 C ATOM 0 H ALA A 81 8.157 4.232 -10.692 1.00 44.15 H new ATOM 0 HA ALA A 81 7.242 5.525 -13.187 1.00 72.24 H new ATOM 0 HB1 ALA A 81 5.645 6.837 -11.828 1.00 14.21 H new ATOM 0 HB2 ALA A 81 5.272 5.098 -11.788 1.00 14.21 H new ATOM 0 HB3 ALA A 81 6.076 5.867 -10.399 1.00 14.21 H new ATOM 1242 N MET A 82 8.211 7.799 -12.417 1.00 14.34 N ATOM 1243 CA MET A 82 9.104 8.927 -12.176 1.00 42.53 C ATOM 1244 C MET A 82 8.310 10.212 -11.953 1.00 63.53 C ATOM 1245 O MET A 82 7.487 10.595 -12.784 1.00 10.35 O ATOM 1246 CB MET A 82 10.063 9.106 -13.355 1.00 21.13 C ATOM 1247 CG MET A 82 10.868 10.395 -13.293 1.00 20.41 C ATOM 1248 SD MET A 82 12.524 10.212 -13.982 1.00 63.31 S ATOM 1249 CE MET A 82 13.448 9.739 -12.523 1.00 22.03 C ATOM 0 H MET A 82 7.494 7.970 -13.122 1.00 14.34 H new ATOM 0 HA MET A 82 9.681 8.716 -11.275 1.00 42.53 H new ATOM 0 HB2 MET A 82 10.749 8.260 -13.386 1.00 21.13 H new ATOM 0 HB3 MET A 82 9.492 9.088 -14.283 1.00 21.13 H new ATOM 0 HG2 MET A 82 10.337 11.177 -13.836 1.00 20.41 H new ATOM 0 HG3 MET A 82 10.944 10.722 -12.256 1.00 20.41 H new ATOM 0 HE1 MET A 82 14.123 10.547 -12.242 1.00 22.03 H new ATOM 0 HE2 MET A 82 12.757 9.541 -11.703 1.00 22.03 H new ATOM 0 HE3 MET A 82 14.027 8.840 -12.735 1.00 22.03 H new ATOM 1259 N ASN A 83 8.562 10.870 -10.827 1.00 74.34 N ATOM 1260 CA ASN A 83 7.869 12.110 -10.496 1.00 0.12 C ATOM 1261 C ASN A 83 8.623 13.317 -11.045 1.00 70.05 C ATOM 1262 O ASN A 83 9.737 13.189 -11.550 1.00 4.45 O ATOM 1263 CB ASN A 83 7.711 12.240 -8.979 1.00 1.32 C ATOM 1264 CG ASN A 83 6.482 11.518 -8.462 1.00 41.24 C ATOM 1265 OD1 ASN A 83 5.444 12.133 -8.216 1.00 1.54 O ATOM 1266 ND2 ASN A 83 6.594 10.205 -8.294 1.00 62.04 N ATOM 0 H ASN A 83 9.240 10.566 -10.128 1.00 74.34 H new ATOM 0 HA ASN A 83 6.882 12.080 -10.957 1.00 0.12 H new ATOM 0 HB2 ASN A 83 8.598 11.839 -8.488 1.00 1.32 H new ATOM 0 HB3 ASN A 83 7.649 13.295 -8.712 1.00 1.32 H new ATOM 0 HD21 ASN A 83 5.800 9.666 -7.948 1.00 62.04 H new ATOM 0 HD22 ASN A 83 7.474 9.736 -8.511 1.00 62.04 H new ATOM 1273 N ARG A 84 8.005 14.490 -10.943 1.00 63.02 N ATOM 1274 CA ARG A 84 8.615 15.721 -11.431 1.00 3.14 C ATOM 1275 C ARG A 84 9.775 16.144 -10.534 1.00 21.45 C ATOM 1276 O ARG A 84 10.624 16.938 -10.934 1.00 1.32 O ATOM 1277 CB ARG A 84 7.575 16.840 -11.499 1.00 0.34 C ATOM 1278 CG ARG A 84 6.857 16.923 -12.835 1.00 62.11 C ATOM 1279 CD ARG A 84 5.500 17.595 -12.698 1.00 33.32 C ATOM 1280 NE ARG A 84 5.200 18.462 -13.835 1.00 1.13 N ATOM 1281 CZ ARG A 84 5.768 19.648 -14.023 1.00 61.24 C ATOM 1282 NH1 ARG A 84 6.659 20.105 -13.155 1.00 54.53 N ATOM 1283 NH2 ARG A 84 5.443 20.380 -15.082 1.00 73.50 N ATOM 0 H ARG A 84 7.082 14.613 -10.527 1.00 63.02 H new ATOM 0 HA ARG A 84 9.001 15.533 -12.433 1.00 3.14 H new ATOM 0 HB2 ARG A 84 6.839 16.689 -10.709 1.00 0.34 H new ATOM 0 HB3 ARG A 84 8.065 17.793 -11.300 1.00 0.34 H new ATOM 0 HG2 ARG A 84 7.470 17.479 -13.544 1.00 62.11 H new ATOM 0 HG3 ARG A 84 6.728 15.920 -13.243 1.00 62.11 H new ATOM 0 HD2 ARG A 84 4.726 16.833 -12.609 1.00 33.32 H new ATOM 0 HD3 ARG A 84 5.477 18.181 -11.779 1.00 33.32 H new ATOM 0 HE ARG A 84 4.518 18.139 -14.521 1.00 1.13 H new ATOM 0 HH11 ARG A 84 6.910 19.546 -12.340 1.00 54.53 H new ATOM 0 HH12 ARG A 84 7.093 21.016 -13.302 1.00 54.53 H new ATOM 0 HH21 ARG A 84 4.757 20.032 -15.752 1.00 73.50 H new ATOM 0 HH22 ARG A 84 5.879 21.291 -15.226 1.00 73.50 H new ATOM 1297 N ASN A 85 9.803 15.607 -9.318 1.00 74.50 N ATOM 1298 CA ASN A 85 10.858 15.929 -8.364 1.00 71.04 C ATOM 1299 C ASN A 85 12.170 15.258 -8.756 1.00 21.10 C ATOM 1300 O ASN A 85 13.245 15.672 -8.322 1.00 64.24 O ATOM 1301 CB ASN A 85 10.450 15.494 -6.955 1.00 10.13 C ATOM 1302 CG ASN A 85 11.211 16.240 -5.876 1.00 0.32 C ATOM 1303 OD1 ASN A 85 12.438 16.330 -5.916 1.00 60.32 O ATOM 1304 ND2 ASN A 85 10.484 16.779 -4.905 1.00 33.10 N ATOM 0 H ASN A 85 9.107 14.947 -8.970 1.00 74.50 H new ATOM 0 HA ASN A 85 11.006 17.009 -8.375 1.00 71.04 H new ATOM 0 HB2 ASN A 85 9.381 15.659 -6.822 1.00 10.13 H new ATOM 0 HB3 ASN A 85 10.623 14.424 -6.844 1.00 10.13 H new ATOM 0 HD21 ASN A 85 10.940 17.293 -4.151 1.00 33.10 H new ATOM 0 HD22 ASN A 85 9.469 16.679 -4.912 1.00 33.10 H new ATOM 1311 N GLY A 86 12.074 14.219 -9.580 1.00 14.02 N ATOM 1312 CA GLY A 86 13.261 13.507 -10.016 1.00 71.44 C ATOM 1313 C GLY A 86 13.364 12.123 -9.407 1.00 11.12 C ATOM 1314 O GLY A 86 14.125 11.280 -9.885 1.00 54.11 O ATOM 0 H GLY A 86 11.196 13.858 -9.953 1.00 14.02 H new ATOM 0 HA2 GLY A 86 13.251 13.422 -11.103 1.00 71.44 H new ATOM 0 HA3 GLY A 86 14.146 14.085 -9.749 1.00 71.44 H new ATOM 1318 N LYS A 87 12.599 11.886 -8.347 1.00 51.02 N ATOM 1319 CA LYS A 87 12.606 10.595 -7.670 1.00 1.34 C ATOM 1320 C LYS A 87 11.653 9.618 -8.350 1.00 23.11 C ATOM 1321 O LYS A 87 10.615 10.015 -8.878 1.00 23.14 O ATOM 1322 CB LYS A 87 12.216 10.765 -6.200 1.00 24.52 C ATOM 1323 CG LYS A 87 13.146 11.682 -5.426 1.00 11.22 C ATOM 1324 CD LYS A 87 14.253 10.901 -4.736 1.00 14.11 C ATOM 1325 CE LYS A 87 15.437 10.676 -5.663 1.00 3.35 C ATOM 1326 NZ LYS A 87 16.678 10.349 -4.908 1.00 22.03 N ATOM 0 H LYS A 87 11.965 12.572 -7.938 1.00 51.02 H new ATOM 0 HA LYS A 87 13.616 10.189 -7.727 1.00 1.34 H new ATOM 0 HB2 LYS A 87 11.202 11.160 -6.145 1.00 24.52 H new ATOM 0 HB3 LYS A 87 12.203 9.786 -5.721 1.00 24.52 H new ATOM 0 HG2 LYS A 87 13.584 12.414 -6.104 1.00 11.22 H new ATOM 0 HG3 LYS A 87 12.574 12.238 -4.683 1.00 11.22 H new ATOM 0 HD2 LYS A 87 14.582 11.441 -3.848 1.00 14.11 H new ATOM 0 HD3 LYS A 87 13.866 9.940 -4.399 1.00 14.11 H new ATOM 0 HE2 LYS A 87 15.208 9.865 -6.354 1.00 3.35 H new ATOM 0 HE3 LYS A 87 15.603 11.570 -6.264 1.00 3.35 H new ATOM 0 HZ1 LYS A 87 17.462 10.203 -5.575 1.00 22.03 H new ATOM 0 HZ2 LYS A 87 16.911 11.134 -4.267 1.00 22.03 H new ATOM 0 HZ3 LYS A 87 16.529 9.482 -4.354 1.00 22.03 H new ATOM 1340 N GLU A 88 12.014 8.338 -8.334 1.00 34.22 N ATOM 1341 CA GLU A 88 11.189 7.305 -8.949 1.00 43.21 C ATOM 1342 C GLU A 88 10.458 6.487 -7.887 1.00 51.44 C ATOM 1343 O GLU A 88 10.994 6.225 -6.810 1.00 5.12 O ATOM 1344 CB GLU A 88 12.050 6.382 -9.815 1.00 41.24 C ATOM 1345 CG GLU A 88 12.078 6.776 -11.282 1.00 50.14 C ATOM 1346 CD GLU A 88 12.065 5.576 -12.208 1.00 4.13 C ATOM 1347 OE1 GLU A 88 13.057 4.816 -12.206 1.00 44.32 O ATOM 1348 OE2 GLU A 88 11.066 5.397 -12.935 1.00 61.30 O ATOM 0 H GLU A 88 12.871 7.992 -7.902 1.00 34.22 H new ATOM 0 HA GLU A 88 10.447 7.796 -9.579 1.00 43.21 H new ATOM 0 HB2 GLU A 88 13.069 6.381 -9.428 1.00 41.24 H new ATOM 0 HB3 GLU A 88 11.675 5.362 -9.728 1.00 41.24 H new ATOM 0 HG2 GLU A 88 11.218 7.409 -11.501 1.00 50.14 H new ATOM 0 HG3 GLU A 88 12.970 7.372 -11.478 1.00 50.14 H new ATOM 1355 N THR A 89 9.229 6.088 -8.198 1.00 11.43 N ATOM 1356 CA THR A 89 8.423 5.303 -7.272 1.00 2.40 C ATOM 1357 C THR A 89 8.373 3.838 -7.691 1.00 4.20 C ATOM 1358 O THR A 89 8.028 3.519 -8.830 1.00 0.44 O ATOM 1359 CB THR A 89 6.985 5.847 -7.178 1.00 42.24 C ATOM 1360 OG1 THR A 89 6.945 7.207 -7.627 1.00 1.24 O ATOM 1361 CG2 THR A 89 6.467 5.763 -5.750 1.00 41.22 C ATOM 0 H THR A 89 8.770 6.296 -9.085 1.00 11.43 H new ATOM 0 HA THR A 89 8.899 5.382 -6.294 1.00 2.40 H new ATOM 0 HB THR A 89 6.346 5.236 -7.816 1.00 42.24 H new ATOM 0 HG1 THR A 89 6.478 7.757 -6.964 1.00 1.24 H new ATOM 0 HG21 THR A 89 5.450 6.153 -5.708 1.00 41.22 H new ATOM 0 HG22 THR A 89 6.471 4.724 -5.422 1.00 41.22 H new ATOM 0 HG23 THR A 89 7.109 6.352 -5.095 1.00 41.22 H new ATOM 1369 N LYS A 90 8.719 2.950 -6.765 1.00 43.42 N ATOM 1370 CA LYS A 90 8.713 1.518 -7.038 1.00 11.51 C ATOM 1371 C LYS A 90 7.536 0.839 -6.346 1.00 21.43 C ATOM 1372 O LYS A 90 7.142 1.226 -5.246 1.00 51.44 O ATOM 1373 CB LYS A 90 10.026 0.885 -6.574 1.00 34.14 C ATOM 1374 CG LYS A 90 11.224 1.279 -7.420 1.00 24.14 C ATOM 1375 CD LYS A 90 12.053 2.358 -6.744 1.00 3.21 C ATOM 1376 CE LYS A 90 12.211 3.580 -7.635 1.00 62.23 C ATOM 1377 NZ LYS A 90 13.275 3.386 -8.659 1.00 0.10 N ATOM 0 H LYS A 90 9.007 3.197 -5.818 1.00 43.42 H new ATOM 0 HA LYS A 90 8.610 1.378 -8.114 1.00 11.51 H new ATOM 0 HB2 LYS A 90 10.212 1.172 -5.539 1.00 34.14 H new ATOM 0 HB3 LYS A 90 9.922 -0.200 -6.590 1.00 34.14 H new ATOM 0 HG2 LYS A 90 11.846 0.402 -7.603 1.00 24.14 H new ATOM 0 HG3 LYS A 90 10.883 1.636 -8.392 1.00 24.14 H new ATOM 0 HD2 LYS A 90 11.579 2.649 -5.807 1.00 3.21 H new ATOM 0 HD3 LYS A 90 13.036 1.959 -6.494 1.00 3.21 H new ATOM 0 HE2 LYS A 90 11.264 3.793 -8.131 1.00 62.23 H new ATOM 0 HE3 LYS A 90 12.451 4.448 -7.021 1.00 62.23 H new ATOM 0 HZ1 LYS A 90 13.577 4.311 -9.025 1.00 0.10 H new ATOM 0 HZ2 LYS A 90 14.088 2.902 -8.227 1.00 0.10 H new ATOM 0 HZ3 LYS A 90 12.904 2.809 -9.441 1.00 0.10 H new ATOM 1391 N SER A 91 6.979 -0.178 -6.996 1.00 4.05 N ATOM 1392 CA SER A 91 5.846 -0.911 -6.444 1.00 61.32 C ATOM 1393 C SER A 91 5.929 -2.392 -6.805 1.00 53.34 C ATOM 1394 O SER A 91 6.018 -2.751 -7.978 1.00 53.12 O ATOM 1395 CB SER A 91 4.532 -0.321 -6.959 1.00 34.50 C ATOM 1396 OG SER A 91 4.565 1.096 -6.936 1.00 32.20 O ATOM 0 H SER A 91 7.294 -0.513 -7.906 1.00 4.05 H new ATOM 0 HA SER A 91 5.877 -0.818 -5.358 1.00 61.32 H new ATOM 0 HB2 SER A 91 4.348 -0.667 -7.976 1.00 34.50 H new ATOM 0 HB3 SER A 91 3.704 -0.679 -6.346 1.00 34.50 H new ATOM 0 HG SER A 91 4.600 1.437 -7.854 1.00 32.20 H new ATOM 1402 N ASN A 92 5.896 -3.244 -5.787 1.00 23.52 N ATOM 1403 CA ASN A 92 5.968 -4.686 -5.996 1.00 34.24 C ATOM 1404 C ASN A 92 4.709 -5.373 -5.476 1.00 32.41 C ATOM 1405 O ASN A 92 4.372 -5.268 -4.296 1.00 5.14 O ATOM 1406 CB ASN A 92 7.201 -5.262 -5.298 1.00 32.44 C ATOM 1407 CG ASN A 92 6.973 -6.674 -4.792 1.00 34.50 C ATOM 1408 OD1 ASN A 92 7.183 -6.965 -3.614 1.00 43.22 O ATOM 1409 ND2 ASN A 92 6.540 -7.559 -5.682 1.00 4.13 N ATOM 0 H ASN A 92 5.820 -2.962 -4.810 1.00 23.52 H new ATOM 0 HA ASN A 92 6.046 -4.870 -7.068 1.00 34.24 H new ATOM 0 HB2 ASN A 92 8.042 -5.259 -5.991 1.00 32.44 H new ATOM 0 HB3 ASN A 92 7.475 -4.619 -4.462 1.00 32.44 H new ATOM 0 HD21 ASN A 92 6.368 -8.524 -5.400 1.00 4.13 H new ATOM 0 HD22 ASN A 92 6.379 -7.274 -6.648 1.00 4.13 H new ATOM 1416 N TYR A 93 4.017 -6.078 -6.365 1.00 62.14 N ATOM 1417 CA TYR A 93 2.794 -6.782 -5.998 1.00 52.52 C ATOM 1418 C TYR A 93 2.846 -8.238 -6.450 1.00 44.44 C ATOM 1419 O TYR A 93 2.981 -8.525 -7.640 1.00 52.13 O ATOM 1420 CB TYR A 93 1.577 -6.087 -6.613 1.00 32.14 C ATOM 1421 CG TYR A 93 1.173 -4.822 -5.891 1.00 30.14 C ATOM 1422 CD1 TYR A 93 2.030 -3.731 -5.827 1.00 4.11 C ATOM 1423 CD2 TYR A 93 -0.068 -4.717 -5.274 1.00 51.10 C ATOM 1424 CE1 TYR A 93 1.666 -2.573 -5.169 1.00 41.21 C ATOM 1425 CE2 TYR A 93 -0.441 -3.562 -4.614 1.00 63.31 C ATOM 1426 CZ TYR A 93 0.429 -2.493 -4.564 1.00 31.13 C ATOM 1427 OH TYR A 93 0.061 -1.340 -3.908 1.00 1.34 O ATOM 0 H TYR A 93 4.283 -6.177 -7.345 1.00 62.14 H new ATOM 0 HA TYR A 93 2.705 -6.762 -4.912 1.00 52.52 H new ATOM 0 HB2 TYR A 93 1.793 -5.848 -7.654 1.00 32.14 H new ATOM 0 HB3 TYR A 93 0.735 -6.780 -6.613 1.00 32.14 H new ATOM 0 HD1 TYR A 93 2.999 -3.789 -6.301 1.00 4.11 H new ATOM 0 HD2 TYR A 93 -0.752 -5.552 -5.311 1.00 51.10 H new ATOM 0 HE1 TYR A 93 2.346 -1.735 -5.128 1.00 41.21 H new ATOM 0 HE2 TYR A 93 -1.409 -3.497 -4.140 1.00 63.31 H new ATOM 0 HH TYR A 93 -0.396 -1.571 -3.072 1.00 1.34 H new ATOM 1437 N ARG A 94 2.738 -9.152 -5.493 1.00 75.32 N ATOM 1438 CA ARG A 94 2.772 -10.579 -5.791 1.00 44.52 C ATOM 1439 C ARG A 94 1.395 -11.080 -6.212 1.00 71.34 C ATOM 1440 O ARG A 94 0.386 -10.762 -5.580 1.00 24.32 O ATOM 1441 CB ARG A 94 3.263 -11.365 -4.574 1.00 1.30 C ATOM 1442 CG ARG A 94 2.534 -11.013 -3.288 1.00 51.31 C ATOM 1443 CD ARG A 94 3.378 -10.115 -2.396 1.00 62.43 C ATOM 1444 NE ARG A 94 3.294 -10.504 -0.991 1.00 52.25 N ATOM 1445 CZ ARG A 94 3.983 -11.510 -0.464 1.00 41.50 C ATOM 1446 NH1 ARG A 94 4.804 -12.223 -1.221 1.00 13.02 N ATOM 1447 NH2 ARG A 94 3.852 -11.802 0.824 1.00 70.00 N ATOM 0 H ARG A 94 2.626 -8.930 -4.504 1.00 75.32 H new ATOM 0 HA ARG A 94 3.464 -10.735 -6.618 1.00 44.52 H new ATOM 0 HB2 ARG A 94 3.145 -12.431 -4.769 1.00 1.30 H new ATOM 0 HB3 ARG A 94 4.329 -11.182 -4.439 1.00 1.30 H new ATOM 0 HG2 ARG A 94 1.595 -10.512 -3.526 1.00 51.31 H new ATOM 0 HG3 ARG A 94 2.281 -11.927 -2.750 1.00 51.31 H new ATOM 0 HD2 ARG A 94 4.418 -10.155 -2.722 1.00 62.43 H new ATOM 0 HD3 ARG A 94 3.049 -9.082 -2.506 1.00 62.43 H new ATOM 0 HE ARG A 94 2.672 -9.974 -0.381 1.00 52.25 H new ATOM 0 HH11 ARG A 94 4.908 -12.000 -2.211 1.00 13.02 H new ATOM 0 HH12 ARG A 94 5.332 -12.995 -0.814 1.00 13.02 H new ATOM 0 HH21 ARG A 94 3.222 -11.254 1.410 1.00 70.00 H new ATOM 0 HH22 ARG A 94 4.381 -12.575 1.228 1.00 70.00 H new ATOM 1461 N VAL A 95 1.358 -11.866 -7.283 1.00 45.14 N ATOM 1462 CA VAL A 95 0.105 -12.412 -7.789 1.00 74.02 C ATOM 1463 C VAL A 95 0.128 -13.937 -7.787 1.00 44.44 C ATOM 1464 O VAL A 95 1.139 -14.552 -8.128 1.00 75.42 O ATOM 1465 CB VAL A 95 -0.189 -11.916 -9.217 1.00 64.24 C ATOM 1466 CG1 VAL A 95 -1.459 -12.557 -9.755 1.00 62.33 C ATOM 1467 CG2 VAL A 95 -0.295 -10.398 -9.243 1.00 21.24 C ATOM 0 H VAL A 95 2.183 -12.139 -7.817 1.00 45.14 H new ATOM 0 HA VAL A 95 -0.683 -12.063 -7.122 1.00 74.02 H new ATOM 0 HB VAL A 95 0.639 -12.210 -9.862 1.00 64.24 H new ATOM 0 HG11 VAL A 95 -1.650 -12.194 -10.765 1.00 62.33 H new ATOM 0 HG12 VAL A 95 -1.339 -13.640 -9.775 1.00 62.33 H new ATOM 0 HG13 VAL A 95 -2.299 -12.297 -9.111 1.00 62.33 H new ATOM 0 HG21 VAL A 95 -0.503 -10.065 -10.260 1.00 21.24 H new ATOM 0 HG22 VAL A 95 -1.102 -10.078 -8.584 1.00 21.24 H new ATOM 0 HG23 VAL A 95 0.644 -9.962 -8.903 1.00 21.24 H new ATOM 1477 N ARG A 96 -0.992 -14.540 -7.403 1.00 21.05 N ATOM 1478 CA ARG A 96 -1.099 -15.993 -7.355 1.00 61.43 C ATOM 1479 C ARG A 96 -2.344 -16.471 -8.098 1.00 15.43 C ATOM 1480 O ARG A 96 -3.360 -15.778 -8.136 1.00 53.34 O ATOM 1481 CB ARG A 96 -1.140 -16.476 -5.905 1.00 51.01 C ATOM 1482 CG ARG A 96 0.235 -16.675 -5.289 1.00 63.21 C ATOM 1483 CD ARG A 96 0.853 -17.996 -5.721 1.00 12.53 C ATOM 1484 NE ARG A 96 1.718 -18.558 -4.688 1.00 32.13 N ATOM 1485 CZ ARG A 96 2.300 -19.749 -4.784 1.00 63.32 C ATOM 1486 NH1 ARG A 96 2.110 -20.497 -5.862 1.00 24.13 N ATOM 1487 NH2 ARG A 96 3.074 -20.192 -3.802 1.00 31.50 N ATOM 0 H ARG A 96 -1.838 -14.045 -7.121 1.00 21.05 H new ATOM 0 HA ARG A 96 -0.221 -16.413 -7.845 1.00 61.43 H new ATOM 0 HB2 ARG A 96 -1.696 -15.754 -5.306 1.00 51.01 H new ATOM 0 HB3 ARG A 96 -1.688 -17.417 -5.860 1.00 51.01 H new ATOM 0 HG2 ARG A 96 0.889 -15.853 -5.582 1.00 63.21 H new ATOM 0 HG3 ARG A 96 0.156 -16.647 -4.202 1.00 63.21 H new ATOM 0 HD2 ARG A 96 0.061 -18.707 -5.957 1.00 12.53 H new ATOM 0 HD3 ARG A 96 1.429 -17.846 -6.634 1.00 12.53 H new ATOM 0 HE ARG A 96 1.885 -18.006 -3.846 1.00 32.13 H new ATOM 0 HH11 ARG A 96 1.516 -20.159 -6.619 1.00 24.13 H new ATOM 0 HH12 ARG A 96 2.557 -21.411 -5.934 1.00 24.13 H new ATOM 0 HH21 ARG A 96 3.223 -19.618 -2.972 1.00 31.50 H new ATOM 0 HH22 ARG A 96 3.520 -21.106 -3.877 1.00 31.50 H new ATOM 1501 N VAL A 97 -2.256 -17.659 -8.687 1.00 2.43 N ATOM 1502 CA VAL A 97 -3.375 -18.230 -9.428 1.00 42.31 C ATOM 1503 C VAL A 97 -3.927 -19.464 -8.724 1.00 63.12 C ATOM 1504 O VAL A 97 -3.464 -19.836 -7.646 1.00 32.10 O ATOM 1505 CB VAL A 97 -2.962 -18.611 -10.862 1.00 12.21 C ATOM 1506 CG1 VAL A 97 -2.505 -17.381 -11.631 1.00 52.10 C ATOM 1507 CG2 VAL A 97 -1.871 -19.671 -10.838 1.00 52.14 C ATOM 0 H VAL A 97 -1.421 -18.245 -8.666 1.00 2.43 H new ATOM 0 HA VAL A 97 -4.150 -17.464 -9.473 1.00 42.31 H new ATOM 0 HB VAL A 97 -3.830 -19.027 -11.373 1.00 12.21 H new ATOM 0 HG11 VAL A 97 -2.217 -17.670 -12.642 1.00 52.10 H new ATOM 0 HG12 VAL A 97 -3.319 -16.658 -11.678 1.00 52.10 H new ATOM 0 HG13 VAL A 97 -1.650 -16.932 -11.125 1.00 52.10 H new ATOM 0 HG21 VAL A 97 -1.591 -19.928 -11.860 1.00 52.14 H new ATOM 0 HG22 VAL A 97 -1.000 -19.284 -10.310 1.00 52.14 H new ATOM 0 HG23 VAL A 97 -2.239 -20.561 -10.328 1.00 52.14 H new ATOM 1517 N TYR A 98 -4.919 -20.096 -9.342 1.00 14.11 N ATOM 1518 CA TYR A 98 -5.536 -21.288 -8.773 1.00 73.34 C ATOM 1519 C TYR A 98 -4.548 -22.449 -8.738 1.00 1.14 C ATOM 1520 O TYR A 98 -3.931 -22.721 -7.708 1.00 42.42 O ATOM 1521 CB TYR A 98 -6.773 -21.682 -9.582 1.00 71.35 C ATOM 1522 CG TYR A 98 -7.382 -22.999 -9.156 1.00 3.42 C ATOM 1523 CD1 TYR A 98 -7.697 -23.243 -7.825 1.00 44.15 C ATOM 1524 CD2 TYR A 98 -7.642 -23.999 -10.086 1.00 13.24 C ATOM 1525 CE1 TYR A 98 -8.252 -24.445 -7.432 1.00 30.11 C ATOM 1526 CE2 TYR A 98 -8.197 -25.204 -9.701 1.00 51.12 C ATOM 1527 CZ TYR A 98 -8.501 -25.422 -8.373 1.00 21.33 C ATOM 1528 OH TYR A 98 -9.054 -26.621 -7.986 1.00 53.01 O ATOM 0 H TYR A 98 -5.313 -19.803 -10.236 1.00 14.11 H new ATOM 0 HA TYR A 98 -5.835 -21.058 -7.750 1.00 73.34 H new ATOM 0 HB2 TYR A 98 -7.523 -20.897 -9.488 1.00 71.35 H new ATOM 0 HB3 TYR A 98 -6.504 -21.740 -10.637 1.00 71.35 H new ATOM 0 HD1 TYR A 98 -7.505 -22.480 -7.085 1.00 44.15 H new ATOM 0 HD2 TYR A 98 -7.406 -23.831 -11.126 1.00 13.24 H new ATOM 0 HE1 TYR A 98 -8.490 -24.619 -6.393 1.00 30.11 H new ATOM 0 HE2 TYR A 98 -8.392 -25.971 -10.436 1.00 51.12 H new ATOM 0 HH TYR A 98 -9.166 -27.198 -8.770 1.00 53.01 H new ATOM 1538 N GLN A 99 -4.403 -23.130 -9.870 1.00 41.21 N ATOM 1539 CA GLN A 99 -3.490 -24.262 -9.969 1.00 34.11 C ATOM 1540 C GLN A 99 -2.060 -23.838 -9.647 1.00 43.34 C ATOM 1541 O GLN A 99 -1.654 -22.716 -9.947 1.00 43.55 O ATOM 1542 CB GLN A 99 -3.551 -24.873 -11.370 1.00 11.01 C ATOM 1543 CG GLN A 99 -3.500 -26.391 -11.375 1.00 22.45 C ATOM 1544 CD GLN A 99 -4.666 -27.017 -10.636 1.00 15.03 C ATOM 1545 OE1 GLN A 99 -5.770 -27.122 -11.170 1.00 51.32 O ATOM 1546 NE2 GLN A 99 -4.427 -27.438 -9.399 1.00 63.25 N ATOM 0 H GLN A 99 -4.906 -22.917 -10.731 1.00 41.21 H new ATOM 0 HA GLN A 99 -3.800 -25.011 -9.240 1.00 34.11 H new ATOM 0 HB2 GLN A 99 -4.469 -24.547 -11.860 1.00 11.01 H new ATOM 0 HB3 GLN A 99 -2.720 -24.488 -11.961 1.00 11.01 H new ATOM 0 HG2 GLN A 99 -3.495 -26.747 -12.405 1.00 22.45 H new ATOM 0 HG3 GLN A 99 -2.567 -26.721 -10.919 1.00 22.45 H new ATOM 0 HE21 GLN A 99 -3.497 -27.331 -8.995 1.00 63.25 H new ATOM 0 HE22 GLN A 99 -5.174 -27.868 -8.853 1.00 63.25 H new ATOM 1555 N ILE A 100 -1.303 -24.742 -9.036 1.00 72.32 N ATOM 1556 CA ILE A 100 0.080 -24.462 -8.675 1.00 44.43 C ATOM 1557 C ILE A 100 1.032 -25.458 -9.329 1.00 35.24 C ATOM 1558 O ILE A 100 0.641 -26.551 -9.738 1.00 74.43 O ATOM 1559 CB ILE A 100 0.283 -24.500 -7.149 1.00 1.33 C ATOM 1560 CG1 ILE A 100 -0.871 -25.248 -6.478 1.00 23.12 C ATOM 1561 CG2 ILE A 100 0.399 -23.088 -6.594 1.00 24.24 C ATOM 1562 CD1 ILE A 100 -0.696 -25.414 -4.985 1.00 54.44 C ATOM 0 H ILE A 100 -1.625 -25.676 -8.780 1.00 72.32 H new ATOM 0 HA ILE A 100 0.303 -23.459 -9.038 1.00 44.43 H new ATOM 0 HB ILE A 100 1.210 -25.031 -6.934 1.00 1.33 H new ATOM 0 HG12 ILE A 100 -1.801 -24.712 -6.669 1.00 23.12 H new ATOM 0 HG13 ILE A 100 -0.970 -26.232 -6.936 1.00 23.12 H new ATOM 0 HG21 ILE A 100 0.542 -23.132 -5.514 1.00 24.24 H new ATOM 0 HG22 ILE A 100 1.251 -22.586 -7.053 1.00 24.24 H new ATOM 0 HG23 ILE A 100 -0.513 -22.533 -6.817 1.00 24.24 H new ATOM 0 HD11 ILE A 100 -1.551 -25.953 -4.576 1.00 54.44 H new ATOM 0 HD12 ILE A 100 0.216 -25.976 -4.786 1.00 54.44 H new ATOM 0 HD13 ILE A 100 -0.627 -24.433 -4.515 1.00 54.44 H new ATOM 1574 N PRO A 101 2.314 -25.075 -9.427 1.00 74.44 N ATOM 1575 CA PRO A 101 3.349 -25.922 -10.027 1.00 31.33 C ATOM 1576 C PRO A 101 3.676 -27.136 -9.165 1.00 2.25 C ATOM 1577 O PRO A 101 3.901 -28.232 -9.678 1.00 54.43 O ATOM 1578 CB PRO A 101 4.559 -24.990 -10.120 1.00 1.30 C ATOM 1579 CG PRO A 101 4.340 -23.975 -9.051 1.00 73.30 C ATOM 1580 CD PRO A 101 2.851 -23.786 -8.960 1.00 52.21 C ATOM 0 HA PRO A 101 3.035 -26.332 -10.987 1.00 31.33 H new ATOM 0 HB2 PRO A 101 5.490 -25.534 -9.964 1.00 1.30 H new ATOM 0 HB3 PRO A 101 4.624 -24.522 -11.102 1.00 1.30 H new ATOM 0 HG2 PRO A 101 4.749 -24.315 -8.100 1.00 73.30 H new ATOM 0 HG3 PRO A 101 4.838 -23.037 -9.295 1.00 73.30 H new ATOM 0 HD2 PRO A 101 2.536 -23.565 -7.940 1.00 52.21 H new ATOM 0 HD3 PRO A 101 2.512 -22.960 -9.585 1.00 52.21 H new