USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 792 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 22 HIS : no HD1:sc= -5.04! C(o=-7.1!,f=-8.6!) USER MOD Set 1.2: A 81 SER OG : rot 68:sc= -2.06! USER MOD Set 2.1: A 45 HIS : no HD1:sc= -2.96 K(o=-4.4,f=-9.7!) USER MOD Set 2.2: A 48 MET CE :methyl 164:sc= -1.4 (180deg=-2.97!) USER MOD Set 3.1: A 20 ASN : amide:sc= -1.54 K(o=-3.2,f=-0.97) USER MOD Set 3.2: A 30 MET CE :methyl -147:sc= -1.62 (180deg=-1.8!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -6.68! C(o=-6.7!,f=-16!) USER MOD Single : A 13 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.55) USER MOD Single : A 21 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.011) USER MOD Single : A 24 GLN : amide:sc= -2.7 X(o=-2.7,f=-2.3) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.8!) USER MOD Single : A 31 ASN : amide:sc= -5.06! K(o=-5.1!,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 0.288 (180deg=-0.947) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 36 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-5.2!) USER MOD Single : A 38 GLN : amide:sc= -0.065 K(o=-0.065,f=-2.1!) USER MOD Single : A 39 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.2!) USER MOD Single : A 49 GLN : amide:sc= -5.36! C(o=-5.4!,f=-4.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= -0.397 (180deg=-1.63!) USER MOD Single : A 58 GLN : amide:sc= -2.73 X(o=-2.7,f=-3.1!) USER MOD Single : A 60 MET CE :methyl -103:sc= -1.42 (180deg=-3.99!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -3.51! K(o=-3.5!,f=-1.8) USER MOD Single : A 66 GLN : amide:sc= -0.018 K(o=-0.018,f=-0.87) USER MOD Single : A 72 LYS NZ :NH3+ -163:sc= -1.14 (180deg=-1.7!) USER MOD Single : A 73 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.51) USER MOD Single : A 74 GLN : amide:sc= -10.5! C(o=-10!,f=-11!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 80 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.18) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 84 ASN : amide:sc= -2.86! C(o=-2.9!,f=-2.9!) USER MOD Single : A 86 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-4.4!) USER MOD Single : A 88 ASN : amide:sc= -4.89! C(o=-4.9!,f=-9.8!) USER MOD Single : A 90 LYS NZ :NH3+ 148:sc= -0.304 (180deg=-1.3!) USER MOD Single : A 94 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.0084) USER MOD Single : A 95 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.43) USER MOD Single : A 101 HIS : no HE2:sc= -2.35! C(o=-2.3!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 1.825 -13.764 -11.469 1.00 0.00 N ATOM 42 CA GLY A 3 2.513 -12.507 -11.881 1.00 0.00 C ATOM 43 C GLY A 3 1.585 -11.318 -11.631 1.00 0.00 C ATOM 44 O GLY A 3 1.957 -10.176 -11.817 1.00 0.00 O ATOM 0 HA2 GLY A 3 3.439 -12.385 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.784 -12.556 -12.936 1.00 0.00 H new ATOM 48 N LYS A 4 0.378 -11.580 -11.209 1.00 0.00 N ATOM 49 CA LYS A 4 -0.577 -10.469 -10.943 1.00 0.00 C ATOM 50 C LYS A 4 0.000 -9.551 -9.872 1.00 0.00 C ATOM 51 O LYS A 4 -0.129 -8.345 -9.943 1.00 0.00 O ATOM 52 CB LYS A 4 -1.909 -11.046 -10.462 1.00 0.00 C ATOM 53 CG LYS A 4 -2.290 -12.241 -11.338 1.00 0.00 C ATOM 54 CD LYS A 4 -3.643 -11.979 -12.003 1.00 0.00 C ATOM 55 CE LYS A 4 -3.468 -10.966 -13.134 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.751 -10.822 -13.877 1.00 0.00 N ATOM 0 H LYS A 4 0.012 -12.517 -11.037 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.740 -9.900 -11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.829 -11.356 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.687 -10.284 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.526 -12.406 -12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.340 -13.147 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.054 -12.910 -12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.354 -11.601 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.161 -10.002 -12.728 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.679 -11.294 -13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.631 -10.133 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.026 -11.742 -14.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.493 -10.491 -13.228 1.00 0.00 H new ATOM 70 N LEU A 5 0.642 -10.100 -8.878 1.00 0.00 N ATOM 71 CA LEU A 5 1.222 -9.229 -7.822 1.00 0.00 C ATOM 72 C LEU A 5 1.847 -8.011 -8.495 1.00 0.00 C ATOM 73 O LEU A 5 1.478 -6.888 -8.224 1.00 0.00 O ATOM 74 CB LEU A 5 2.298 -9.983 -7.039 1.00 0.00 C ATOM 75 CG LEU A 5 1.719 -11.248 -6.389 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.227 -11.072 -6.093 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.913 -12.439 -7.328 1.00 0.00 C ATOM 0 H LEU A 5 0.788 -11.102 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 5 0.438 -8.925 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.116 -10.254 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.716 -9.333 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 5 2.243 -11.426 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.162 -11.980 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.088 -10.232 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.308 -10.878 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.502 -13.337 -6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.399 -12.247 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.977 -12.583 -7.518 1.00 0.00 H new ATOM 89 N ASN A 6 2.781 -8.217 -9.385 1.00 0.00 N ATOM 90 CA ASN A 6 3.398 -7.068 -10.072 1.00 0.00 C ATOM 91 C ASN A 6 2.306 -6.042 -10.369 1.00 0.00 C ATOM 92 O ASN A 6 2.529 -4.849 -10.323 1.00 0.00 O ATOM 93 CB ASN A 6 4.043 -7.561 -11.363 1.00 0.00 C ATOM 94 CG ASN A 6 2.982 -7.698 -12.455 1.00 0.00 C ATOM 95 OD1 ASN A 6 1.835 -7.983 -12.176 1.00 0.00 O ATOM 96 ND2 ASN A 6 3.320 -7.509 -13.700 1.00 0.00 N ATOM 0 H ASN A 6 3.136 -9.133 -9.659 1.00 0.00 H new ATOM 0 HA ASN A 6 4.164 -6.603 -9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.818 -6.864 -11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.529 -8.522 -11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.621 -7.601 -14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.283 -7.270 -13.936 1.00 0.00 H new ATOM 103 N ASP A 7 1.113 -6.503 -10.643 1.00 0.00 N ATOM 104 CA ASP A 7 -0.003 -5.556 -10.904 1.00 0.00 C ATOM 105 C ASP A 7 -0.361 -4.885 -9.581 1.00 0.00 C ATOM 106 O ASP A 7 -0.558 -3.688 -9.506 1.00 0.00 O ATOM 107 CB ASP A 7 -1.215 -6.321 -11.435 1.00 0.00 C ATOM 108 CG ASP A 7 -1.868 -5.527 -12.569 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.407 -5.648 -13.691 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.817 -4.813 -12.295 1.00 0.00 O ATOM 0 H ASP A 7 0.867 -7.492 -10.696 1.00 0.00 H new ATOM 0 HA ASP A 7 0.292 -4.813 -11.645 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.908 -7.303 -11.795 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.934 -6.486 -10.632 1.00 0.00 H new ATOM 115 N LEU A 8 -0.419 -5.656 -8.528 1.00 0.00 N ATOM 116 CA LEU A 8 -0.730 -5.079 -7.193 1.00 0.00 C ATOM 117 C LEU A 8 0.519 -4.352 -6.699 1.00 0.00 C ATOM 118 O LEU A 8 0.484 -3.198 -6.324 1.00 0.00 O ATOM 119 CB LEU A 8 -1.071 -6.209 -6.213 1.00 0.00 C ATOM 120 CG LEU A 8 -2.577 -6.250 -5.945 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.048 -4.889 -5.431 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.317 -6.604 -7.238 1.00 0.00 C ATOM 0 H LEU A 8 -0.263 -6.664 -8.538 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.577 -4.396 -7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.742 -7.164 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.533 -6.061 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.790 -7.007 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.121 -4.923 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.524 -4.648 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.836 -4.124 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.390 -6.633 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.104 -5.851 -7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.985 -7.580 -7.592 1.00 0.00 H new ATOM 134 N LEU A 9 1.628 -5.037 -6.713 1.00 0.00 N ATOM 135 CA LEU A 9 2.906 -4.428 -6.266 1.00 0.00 C ATOM 136 C LEU A 9 3.149 -3.125 -7.028 1.00 0.00 C ATOM 137 O LEU A 9 3.169 -2.053 -6.456 1.00 0.00 O ATOM 138 CB LEU A 9 4.045 -5.402 -6.562 1.00 0.00 C ATOM 139 CG LEU A 9 5.217 -5.110 -5.632 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.366 -6.066 -5.947 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.685 -3.669 -5.836 1.00 0.00 C ATOM 0 H LEU A 9 1.701 -6.007 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 9 2.859 -4.218 -5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.705 -6.429 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.359 -5.306 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 9 4.902 -5.246 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.205 -5.858 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.034 -7.094 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.680 -5.929 -6.982 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.523 -3.461 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.000 -3.532 -6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.866 -2.985 -5.613 1.00 0.00 H new ATOM 153 N GLU A 10 3.340 -3.212 -8.316 1.00 0.00 N ATOM 154 CA GLU A 10 3.589 -1.983 -9.120 1.00 0.00 C ATOM 155 C GLU A 10 2.465 -0.973 -8.880 1.00 0.00 C ATOM 156 O GLU A 10 2.708 0.191 -8.633 1.00 0.00 O ATOM 157 CB GLU A 10 3.637 -2.348 -10.606 1.00 0.00 C ATOM 158 CG GLU A 10 4.133 -1.145 -11.411 1.00 0.00 C ATOM 159 CD GLU A 10 4.828 -1.631 -12.684 1.00 0.00 C ATOM 160 OE1 GLU A 10 5.981 -2.020 -12.594 1.00 0.00 O ATOM 161 OE2 GLU A 10 4.195 -1.607 -13.726 1.00 0.00 O ATOM 0 H GLU A 10 3.334 -4.083 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 10 4.540 -1.542 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.298 -3.200 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.647 -2.646 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.296 -0.496 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.824 -0.553 -10.811 1.00 0.00 H new ATOM 168 N ASP A 11 1.238 -1.409 -8.952 1.00 0.00 N ATOM 169 CA ASP A 11 0.101 -0.471 -8.733 1.00 0.00 C ATOM 170 C ASP A 11 0.133 0.050 -7.294 1.00 0.00 C ATOM 171 O ASP A 11 -0.280 1.160 -7.018 1.00 0.00 O ATOM 172 CB ASP A 11 -1.218 -1.203 -8.982 1.00 0.00 C ATOM 173 CG ASP A 11 -2.381 -0.218 -8.853 1.00 0.00 C ATOM 174 OD1 ASP A 11 -2.444 0.464 -7.843 1.00 0.00 O ATOM 175 OD2 ASP A 11 -3.188 -0.161 -9.766 1.00 0.00 O ATOM 0 H ASP A 11 0.973 -2.373 -9.153 1.00 0.00 H new ATOM 0 HA ASP A 11 0.187 0.369 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.216 -1.651 -9.976 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.335 -2.016 -8.266 1.00 0.00 H new ATOM 180 N LEU A 12 0.616 -0.739 -6.374 1.00 0.00 N ATOM 181 CA LEU A 12 0.667 -0.281 -4.957 1.00 0.00 C ATOM 182 C LEU A 12 1.859 0.663 -4.769 1.00 0.00 C ATOM 183 O LEU A 12 1.700 1.814 -4.418 1.00 0.00 O ATOM 184 CB LEU A 12 0.816 -1.496 -4.034 1.00 0.00 C ATOM 185 CG LEU A 12 1.531 -1.088 -2.742 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.809 0.102 -2.107 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.524 -2.263 -1.764 1.00 0.00 C ATOM 0 H LEU A 12 0.977 -1.678 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.253 0.248 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.166 -1.909 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.380 -2.280 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 12 2.559 -0.808 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.320 0.390 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.811 0.942 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.220 -0.177 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.033 -1.974 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.495 -2.542 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.040 -3.112 -2.212 1.00 0.00 H new ATOM 199 N GLN A 13 3.054 0.191 -5.004 1.00 0.00 N ATOM 200 CA GLN A 13 4.240 1.076 -4.838 1.00 0.00 C ATOM 201 C GLN A 13 4.040 2.335 -5.681 1.00 0.00 C ATOM 202 O GLN A 13 4.664 3.354 -5.452 1.00 0.00 O ATOM 203 CB GLN A 13 5.503 0.339 -5.290 1.00 0.00 C ATOM 204 CG GLN A 13 5.673 0.488 -6.804 1.00 0.00 C ATOM 205 CD GLN A 13 6.760 -0.470 -7.292 1.00 0.00 C ATOM 206 OE1 GLN A 13 6.732 -0.913 -8.422 1.00 0.00 O ATOM 207 NE2 GLN A 13 7.725 -0.809 -6.482 1.00 0.00 N ATOM 0 H GLN A 13 3.258 -0.763 -5.302 1.00 0.00 H new ATOM 0 HA GLN A 13 4.352 1.352 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.375 0.742 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.435 -0.716 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.731 0.274 -7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.941 1.515 -7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.748 -0.437 -5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.456 -1.446 -6.798 1.00 0.00 H new ATOM 216 N GLU A 14 3.161 2.280 -6.644 1.00 0.00 N ATOM 217 CA GLU A 14 2.906 3.479 -7.487 1.00 0.00 C ATOM 218 C GLU A 14 2.167 4.514 -6.644 1.00 0.00 C ATOM 219 O GLU A 14 2.672 5.586 -6.376 1.00 0.00 O ATOM 220 CB GLU A 14 2.041 3.089 -8.683 1.00 0.00 C ATOM 221 CG GLU A 14 2.932 2.853 -9.905 1.00 0.00 C ATOM 222 CD GLU A 14 2.086 2.304 -11.054 1.00 0.00 C ATOM 223 OE1 GLU A 14 0.901 2.596 -11.084 1.00 0.00 O ATOM 224 OE2 GLU A 14 2.636 1.601 -11.885 1.00 0.00 O ATOM 0 H GLU A 14 2.609 1.456 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 14 3.849 3.890 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.473 2.187 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.318 3.877 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.411 3.785 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.728 2.151 -9.658 1.00 0.00 H new ATOM 231 N VAL A 15 0.977 4.197 -6.204 1.00 0.00 N ATOM 232 CA VAL A 15 0.228 5.158 -5.359 1.00 0.00 C ATOM 233 C VAL A 15 1.201 5.716 -4.320 1.00 0.00 C ATOM 234 O VAL A 15 1.134 6.866 -3.939 1.00 0.00 O ATOM 235 CB VAL A 15 -0.944 4.428 -4.682 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.131 3.059 -5.334 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.671 4.242 -3.185 1.00 0.00 C ATOM 0 H VAL A 15 0.498 3.317 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.181 5.976 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.847 5.027 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.961 2.539 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.346 3.188 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.220 2.473 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.512 3.724 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.236 3.653 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.543 5.217 -2.715 1.00 0.00 H new ATOM 247 N LEU A 16 2.126 4.902 -3.888 1.00 0.00 N ATOM 248 CA LEU A 16 3.135 5.371 -2.903 1.00 0.00 C ATOM 249 C LEU A 16 4.021 6.406 -3.596 1.00 0.00 C ATOM 250 O LEU A 16 4.496 7.344 -2.987 1.00 0.00 O ATOM 251 CB LEU A 16 3.982 4.181 -2.440 1.00 0.00 C ATOM 252 CG LEU A 16 5.288 4.677 -1.811 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.975 5.581 -0.616 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.107 3.476 -1.335 1.00 0.00 C ATOM 0 H LEU A 16 2.224 3.929 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 16 2.651 5.815 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.424 3.587 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.201 3.530 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 16 5.855 5.241 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.906 5.932 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.388 6.436 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.407 5.020 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.037 3.825 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.535 2.916 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.333 2.830 -2.184 1.00 0.00 H new ATOM 266 N LYS A 17 4.237 6.242 -4.874 1.00 0.00 N ATOM 267 CA LYS A 17 5.080 7.216 -5.619 1.00 0.00 C ATOM 268 C LYS A 17 4.250 8.465 -5.922 1.00 0.00 C ATOM 269 O LYS A 17 4.710 9.580 -5.773 1.00 0.00 O ATOM 270 CB LYS A 17 5.558 6.586 -6.929 1.00 0.00 C ATOM 271 CG LYS A 17 6.965 7.093 -7.252 1.00 0.00 C ATOM 272 CD LYS A 17 7.335 6.702 -8.684 1.00 0.00 C ATOM 273 CE LYS A 17 8.746 7.205 -9.003 1.00 0.00 C ATOM 274 NZ LYS A 17 9.702 6.062 -8.950 1.00 0.00 N ATOM 0 H LYS A 17 3.865 5.474 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 17 5.947 7.488 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.562 5.499 -6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.873 6.839 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.007 8.176 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.685 6.670 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.289 5.619 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.618 7.129 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.766 7.665 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.041 7.973 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.661 6.401 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.689 5.643 -7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.423 5.344 -9.648 1.00 0.00 H new ATOM 288 N HIS A 18 3.026 8.285 -6.340 1.00 0.00 N ATOM 289 CA HIS A 18 2.162 9.459 -6.644 1.00 0.00 C ATOM 290 C HIS A 18 1.755 10.133 -5.333 1.00 0.00 C ATOM 291 O HIS A 18 1.033 11.110 -5.321 1.00 0.00 O ATOM 292 CB HIS A 18 0.911 8.994 -7.387 1.00 0.00 C ATOM 293 CG HIS A 18 1.194 8.921 -8.861 1.00 0.00 C ATOM 294 ND1 HIS A 18 2.467 9.106 -9.382 1.00 0.00 N ATOM 295 CD2 HIS A 18 0.377 8.681 -9.940 1.00 0.00 C ATOM 296 CE1 HIS A 18 2.381 8.975 -10.719 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.131 8.717 -11.107 1.00 0.00 N ATOM 0 H HIS A 18 2.588 7.375 -6.484 1.00 0.00 H new ATOM 0 HA HIS A 18 2.709 10.166 -7.267 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.600 8.017 -7.018 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.088 9.683 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.685 8.494 -9.889 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.219 9.067 -11.393 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.798 8.576 -12.061 1.00 0.00 H new ATOM 306 N VAL A 19 2.215 9.613 -4.228 1.00 0.00 N ATOM 307 CA VAL A 19 1.860 10.214 -2.912 1.00 0.00 C ATOM 308 C VAL A 19 3.139 10.658 -2.200 1.00 0.00 C ATOM 309 O VAL A 19 3.100 11.233 -1.131 1.00 0.00 O ATOM 310 CB VAL A 19 1.131 9.173 -2.058 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.169 9.595 -0.588 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.327 9.056 -2.514 1.00 0.00 C ATOM 0 H VAL A 19 2.823 8.795 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 19 1.210 11.076 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 19 1.625 8.208 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.649 8.852 0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.205 9.672 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.680 10.562 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.841 8.314 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.821 10.021 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.358 8.749 -3.560 1.00 0.00 H new ATOM 322 N ASN A 20 4.275 10.398 -2.787 1.00 0.00 N ATOM 323 CA ASN A 20 5.554 10.808 -2.144 1.00 0.00 C ATOM 324 C ASN A 20 5.802 12.293 -2.411 1.00 0.00 C ATOM 325 O ASN A 20 6.278 13.015 -1.558 1.00 0.00 O ATOM 326 CB ASN A 20 6.705 9.990 -2.729 1.00 0.00 C ATOM 327 CG ASN A 20 7.764 9.761 -1.650 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.477 10.673 -1.277 1.00 0.00 O ATOM 329 ND2 ASN A 20 7.897 8.573 -1.125 1.00 0.00 N ATOM 0 H ASN A 20 4.372 9.920 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 20 5.493 10.634 -1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.335 9.034 -3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.143 10.514 -3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.598 8.410 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.299 7.808 -1.437 1.00 0.00 H new ATOM 336 N GLN A 21 5.489 12.753 -3.590 1.00 0.00 N ATOM 337 CA GLN A 21 5.711 14.191 -3.912 1.00 0.00 C ATOM 338 C GLN A 21 4.426 14.984 -3.655 1.00 0.00 C ATOM 339 O GLN A 21 4.457 16.179 -3.445 1.00 0.00 O ATOM 340 CB GLN A 21 6.111 14.328 -5.383 1.00 0.00 C ATOM 341 CG GLN A 21 7.293 13.403 -5.680 1.00 0.00 C ATOM 342 CD GLN A 21 7.554 13.372 -7.188 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.595 12.926 -7.628 1.00 0.00 O ATOM 344 NE2 GLN A 21 6.645 13.830 -8.005 1.00 0.00 N ATOM 0 H GLN A 21 5.089 12.196 -4.345 1.00 0.00 H new ATOM 0 HA GLN A 21 6.507 14.583 -3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.267 14.075 -6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.380 15.361 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.182 13.752 -5.154 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.081 12.397 -5.317 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.771 14.205 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.809 13.813 -9.012 1.00 0.00 H new ATOM 353 N HIS A 22 3.296 14.330 -3.673 1.00 0.00 N ATOM 354 CA HIS A 22 2.015 15.053 -3.435 1.00 0.00 C ATOM 355 C HIS A 22 1.626 14.939 -1.960 1.00 0.00 C ATOM 356 O HIS A 22 0.463 14.968 -1.611 1.00 0.00 O ATOM 357 CB HIS A 22 0.914 14.438 -4.302 1.00 0.00 C ATOM 358 CG HIS A 22 0.709 15.287 -5.526 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.001 16.481 -5.489 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.116 15.133 -6.829 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.005 16.994 -6.734 1.00 0.00 C ATOM 362 NE2 HIS A 22 0.671 16.211 -7.584 1.00 0.00 N ATOM 0 H HIS A 22 3.205 13.328 -3.842 1.00 0.00 H new ATOM 0 HA HIS A 22 2.140 16.104 -3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.188 13.423 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.014 14.368 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.693 14.302 -7.208 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.471 17.923 -7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.822 16.370 -8.580 1.00 0.00 H new ATOM 371 N TRP A 23 2.590 14.813 -1.088 1.00 0.00 N ATOM 372 CA TRP A 23 2.267 14.700 0.362 1.00 0.00 C ATOM 373 C TRP A 23 2.119 16.093 0.962 1.00 0.00 C ATOM 374 O TRP A 23 2.825 17.016 0.607 1.00 0.00 O ATOM 375 CB TRP A 23 3.392 13.968 1.085 1.00 0.00 C ATOM 376 CG TRP A 23 2.905 13.504 2.419 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.713 14.290 3.501 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.544 12.158 2.824 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.261 13.504 4.548 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.145 12.179 4.177 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.532 10.936 2.146 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.746 11.016 4.839 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.133 9.761 2.802 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.741 9.801 4.148 1.00 0.00 C ATOM 0 H TRP A 23 3.584 14.784 -1.317 1.00 0.00 H new ATOM 0 HA TRP A 23 1.335 14.146 0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.727 13.117 0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.250 14.629 1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.884 15.356 3.543 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.041 13.860 5.478 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.832 10.895 1.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.444 11.055 5.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.128 8.822 2.268 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.436 8.895 4.650 1.00 0.00 H new ATOM 395 N GLN A 24 1.209 16.248 1.877 1.00 0.00 N ATOM 396 CA GLN A 24 1.018 17.583 2.515 1.00 0.00 C ATOM 397 C GLN A 24 0.460 17.404 3.925 1.00 0.00 C ATOM 398 O GLN A 24 0.015 16.338 4.294 1.00 0.00 O ATOM 399 CB GLN A 24 0.045 18.423 1.684 1.00 0.00 C ATOM 400 CG GLN A 24 0.833 19.444 0.864 1.00 0.00 C ATOM 401 CD GLN A 24 0.025 19.835 -0.377 1.00 0.00 C ATOM 402 OE1 GLN A 24 -0.466 20.942 -0.472 1.00 0.00 O ATOM 403 NE2 GLN A 24 -0.133 18.967 -1.338 1.00 0.00 N ATOM 0 H GLN A 24 0.588 15.512 2.213 1.00 0.00 H new ATOM 0 HA GLN A 24 1.980 18.093 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.536 17.780 1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.663 18.933 2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.043 20.327 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.794 19.024 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.279 18.037 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.669 19.218 -2.169 1.00 0.00 H new ATOM 412 N GLY A 25 0.474 18.443 4.715 1.00 0.00 N ATOM 413 CA GLY A 25 -0.063 18.330 6.101 1.00 0.00 C ATOM 414 C GLY A 25 0.979 17.660 6.999 1.00 0.00 C ATOM 415 O GLY A 25 0.667 16.787 7.784 1.00 0.00 O ATOM 0 H GLY A 25 0.833 19.363 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.311 19.318 6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.985 17.748 6.099 1.00 0.00 H new ATOM 419 N GLY A 26 2.215 18.063 6.888 1.00 0.00 N ATOM 420 CA GLY A 26 3.277 17.452 7.734 1.00 0.00 C ATOM 421 C GLY A 26 4.026 16.395 6.921 1.00 0.00 C ATOM 422 O GLY A 26 3.660 15.236 6.906 1.00 0.00 O ATOM 0 H GLY A 26 2.535 18.789 6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.969 18.220 8.079 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.835 16.999 8.621 1.00 0.00 H new ATOM 426 N GLN A 27 5.070 16.785 6.243 1.00 0.00 N ATOM 427 CA GLN A 27 5.838 15.801 5.430 1.00 0.00 C ATOM 428 C GLN A 27 6.702 14.940 6.351 1.00 0.00 C ATOM 429 O GLN A 27 7.569 14.216 5.904 1.00 0.00 O ATOM 430 CB GLN A 27 6.731 16.545 4.437 1.00 0.00 C ATOM 431 CG GLN A 27 8.027 16.956 5.135 1.00 0.00 C ATOM 432 CD GLN A 27 8.564 18.242 4.501 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.314 19.324 4.993 1.00 0.00 O ATOM 434 NE2 GLN A 27 9.296 18.169 3.423 1.00 0.00 N ATOM 0 H GLN A 27 5.424 17.741 6.217 1.00 0.00 H new ATOM 0 HA GLN A 27 5.144 15.162 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.952 15.908 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.215 17.426 4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.846 17.111 6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.767 16.160 5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.506 17.260 3.010 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.658 19.021 2.994 1.00 0.00 H new ATOM 443 N LYS A 28 6.470 15.003 7.635 1.00 0.00 N ATOM 444 CA LYS A 28 7.279 14.174 8.574 1.00 0.00 C ATOM 445 C LYS A 28 6.711 12.759 8.591 1.00 0.00 C ATOM 446 O LYS A 28 7.364 11.820 9.000 1.00 0.00 O ATOM 447 CB LYS A 28 7.229 14.769 9.985 1.00 0.00 C ATOM 448 CG LYS A 28 5.948 15.588 10.166 1.00 0.00 C ATOM 449 CD LYS A 28 5.761 15.916 11.649 1.00 0.00 C ATOM 450 CE LYS A 28 4.694 17.002 11.808 1.00 0.00 C ATOM 451 NZ LYS A 28 3.414 16.384 12.256 1.00 0.00 N ATOM 0 H LYS A 28 5.759 15.589 8.072 1.00 0.00 H new ATOM 0 HA LYS A 28 8.317 14.156 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.267 13.971 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.101 15.401 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.005 16.507 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.090 15.028 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.465 15.020 12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.704 16.254 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.023 17.746 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.547 17.522 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.690 17.123 12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.098 15.690 11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.560 15.907 13.169 1.00 0.00 H new ATOM 465 N ASN A 29 5.500 12.598 8.134 1.00 0.00 N ATOM 466 CA ASN A 29 4.889 11.243 8.107 1.00 0.00 C ATOM 467 C ASN A 29 5.282 10.550 6.802 1.00 0.00 C ATOM 468 O ASN A 29 5.131 9.354 6.648 1.00 0.00 O ATOM 469 CB ASN A 29 3.365 11.366 8.182 1.00 0.00 C ATOM 470 CG ASN A 29 2.963 11.904 9.556 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.802 12.327 10.326 1.00 0.00 O ATOM 472 ND2 ASN A 29 1.704 11.905 9.899 1.00 0.00 N ATOM 0 H ASN A 29 4.908 13.348 7.778 1.00 0.00 H new ATOM 0 HA ASN A 29 5.243 10.661 8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.005 12.033 7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.902 10.394 8.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.425 12.261 10.813 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.999 11.550 9.253 1.00 0.00 H new ATOM 479 N MET A 30 5.787 11.299 5.858 1.00 0.00 N ATOM 480 CA MET A 30 6.195 10.698 4.557 1.00 0.00 C ATOM 481 C MET A 30 7.255 9.623 4.804 1.00 0.00 C ATOM 482 O MET A 30 7.226 8.562 4.212 1.00 0.00 O ATOM 483 CB MET A 30 6.778 11.789 3.656 1.00 0.00 C ATOM 484 CG MET A 30 7.214 11.171 2.328 1.00 0.00 C ATOM 485 SD MET A 30 5.753 10.597 1.426 1.00 0.00 S ATOM 486 CE MET A 30 6.237 8.860 1.287 1.00 0.00 C ATOM 0 H MET A 30 5.935 12.305 5.934 1.00 0.00 H new ATOM 0 HA MET A 30 5.327 10.249 4.073 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.035 12.567 3.481 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.628 12.264 4.145 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.757 11.905 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.895 10.339 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.860 8.451 0.349 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.324 8.783 1.306 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.819 8.298 2.122 1.00 0.00 H new ATOM 496 N ASN A 31 8.190 9.889 5.674 1.00 0.00 N ATOM 497 CA ASN A 31 9.251 8.883 5.961 1.00 0.00 C ATOM 498 C ASN A 31 8.680 7.794 6.870 1.00 0.00 C ATOM 499 O ASN A 31 8.897 6.617 6.657 1.00 0.00 O ATOM 500 CB ASN A 31 10.426 9.566 6.661 1.00 0.00 C ATOM 501 CG ASN A 31 11.014 10.637 5.741 1.00 0.00 C ATOM 502 OD1 ASN A 31 12.205 10.876 5.751 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.223 11.297 4.940 1.00 0.00 N ATOM 0 H ASN A 31 8.265 10.760 6.199 1.00 0.00 H new ATOM 0 HA ASN A 31 9.595 8.438 5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.094 10.017 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.189 8.831 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.605 12.013 4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.223 11.096 4.931 1.00 0.00 H new ATOM 510 N LYS A 32 7.952 8.174 7.883 1.00 0.00 N ATOM 511 CA LYS A 32 7.369 7.155 8.801 1.00 0.00 C ATOM 512 C LYS A 32 6.464 6.213 8.006 1.00 0.00 C ATOM 513 O LYS A 32 6.578 5.007 8.093 1.00 0.00 O ATOM 514 CB LYS A 32 6.553 7.853 9.891 1.00 0.00 C ATOM 515 CG LYS A 32 7.500 8.534 10.877 1.00 0.00 C ATOM 516 CD LYS A 32 6.689 9.380 11.860 1.00 0.00 C ATOM 517 CE LYS A 32 7.638 10.243 12.691 1.00 0.00 C ATOM 518 NZ LYS A 32 8.384 11.166 11.791 1.00 0.00 N ATOM 0 H LYS A 32 7.736 9.143 8.115 1.00 0.00 H new ATOM 0 HA LYS A 32 8.172 6.582 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.884 8.589 9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.927 7.129 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.080 7.786 11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.211 9.162 10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.985 10.012 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.101 8.735 12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.075 10.814 13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.335 9.611 13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.481 12.094 12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.328 10.775 11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.864 11.274 10.897 1.00 0.00 H new ATOM 532 N VAL A 33 5.564 6.753 7.230 1.00 0.00 N ATOM 533 CA VAL A 33 4.655 5.886 6.429 1.00 0.00 C ATOM 534 C VAL A 33 5.465 5.146 5.363 1.00 0.00 C ATOM 535 O VAL A 33 5.208 3.999 5.061 1.00 0.00 O ATOM 536 CB VAL A 33 3.585 6.747 5.755 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.808 7.524 6.821 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.251 7.733 4.791 1.00 0.00 C ATOM 0 H VAL A 33 5.419 7.756 7.116 1.00 0.00 H new ATOM 0 HA VAL A 33 4.173 5.162 7.086 1.00 0.00 H new ATOM 0 HB VAL A 33 2.901 6.104 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.046 8.137 6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.331 6.823 7.507 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.493 8.165 7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.487 8.345 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.937 8.375 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.804 7.181 4.030 1.00 0.00 H new ATOM 548 N ASP A 34 6.445 5.792 4.792 1.00 0.00 N ATOM 549 CA ASP A 34 7.269 5.119 3.750 1.00 0.00 C ATOM 550 C ASP A 34 7.796 3.796 4.309 1.00 0.00 C ATOM 551 O ASP A 34 7.651 2.752 3.704 1.00 0.00 O ATOM 552 CB ASP A 34 8.445 6.020 3.368 1.00 0.00 C ATOM 553 CG ASP A 34 9.578 5.165 2.799 1.00 0.00 C ATOM 554 OD1 ASP A 34 9.337 4.461 1.833 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.670 5.228 3.340 1.00 0.00 O ATOM 0 H ASP A 34 6.710 6.754 5.002 1.00 0.00 H new ATOM 0 HA ASP A 34 6.662 4.928 2.865 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.127 6.758 2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.794 6.571 4.242 1.00 0.00 H new ATOM 560 N HIS A 35 8.404 3.833 5.464 1.00 0.00 N ATOM 561 CA HIS A 35 8.937 2.580 6.067 1.00 0.00 C ATOM 562 C HIS A 35 7.796 1.572 6.228 1.00 0.00 C ATOM 563 O HIS A 35 7.984 0.380 6.087 1.00 0.00 O ATOM 564 CB HIS A 35 9.538 2.893 7.442 1.00 0.00 C ATOM 565 CG HIS A 35 11.035 2.761 7.381 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.813 3.537 6.532 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.914 1.949 8.057 1.00 0.00 C ATOM 568 CE1 HIS A 35 13.097 3.177 6.716 1.00 0.00 C ATOM 569 NE2 HIS A 35 13.210 2.214 7.633 1.00 0.00 N ATOM 0 H HIS A 35 8.554 4.678 6.015 1.00 0.00 H new ATOM 0 HA HIS A 35 9.707 2.161 5.420 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.264 3.903 7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.133 2.212 8.191 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.639 1.218 8.803 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.932 3.613 6.187 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.068 1.766 7.955 1.00 0.00 H new ATOM 578 N HIS A 36 6.614 2.042 6.522 1.00 0.00 N ATOM 579 CA HIS A 36 5.463 1.111 6.690 1.00 0.00 C ATOM 580 C HIS A 36 5.197 0.390 5.367 1.00 0.00 C ATOM 581 O HIS A 36 5.217 -0.823 5.295 1.00 0.00 O ATOM 582 CB HIS A 36 4.221 1.905 7.102 1.00 0.00 C ATOM 583 CG HIS A 36 4.065 1.844 8.596 1.00 0.00 C ATOM 584 ND1 HIS A 36 2.822 1.853 9.213 1.00 0.00 N ATOM 585 CD2 HIS A 36 4.987 1.772 9.611 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.027 1.789 10.542 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.328 1.738 10.835 1.00 0.00 N ATOM 0 H HIS A 36 6.396 3.030 6.653 1.00 0.00 H new ATOM 0 HA HIS A 36 5.695 0.378 7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.313 2.941 6.777 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.336 1.496 6.615 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.059 1.746 9.479 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.237 1.780 11.279 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.750 1.685 11.762 1.00 0.00 H new ATOM 596 N LEU A 37 4.951 1.126 4.317 1.00 0.00 N ATOM 597 CA LEU A 37 4.688 0.479 3.002 1.00 0.00 C ATOM 598 C LEU A 37 5.946 -0.257 2.540 1.00 0.00 C ATOM 599 O LEU A 37 5.891 -1.400 2.130 1.00 0.00 O ATOM 600 CB LEU A 37 4.316 1.547 1.975 1.00 0.00 C ATOM 601 CG LEU A 37 2.795 1.646 1.876 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.402 3.066 1.479 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.286 0.664 0.820 1.00 0.00 C ATOM 0 H LEU A 37 4.921 2.146 4.314 1.00 0.00 H new ATOM 0 HA LEU A 37 3.866 -0.230 3.101 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.736 2.510 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.739 1.296 1.003 1.00 0.00 H new ATOM 0 HG LEU A 37 2.353 1.402 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.317 3.137 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.763 3.767 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.845 3.310 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.201 0.735 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.729 0.907 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.565 -0.351 1.102 1.00 0.00 H new ATOM 615 N GLN A 38 7.080 0.386 2.603 1.00 0.00 N ATOM 616 CA GLN A 38 8.338 -0.283 2.169 1.00 0.00 C ATOM 617 C GLN A 38 8.357 -1.714 2.707 1.00 0.00 C ATOM 618 O GLN A 38 8.805 -2.631 2.048 1.00 0.00 O ATOM 619 CB GLN A 38 9.544 0.487 2.717 1.00 0.00 C ATOM 620 CG GLN A 38 10.179 1.313 1.595 1.00 0.00 C ATOM 621 CD GLN A 38 11.549 1.824 2.049 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.108 1.328 3.006 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.116 2.803 1.397 1.00 0.00 N ATOM 0 H GLN A 38 7.189 1.344 2.936 1.00 0.00 H new ATOM 0 HA GLN A 38 8.387 -0.300 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.231 1.141 3.531 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.275 -0.208 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.285 0.705 0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.533 2.152 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.647 3.220 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.028 3.151 1.692 1.00 0.00 H new ATOM 632 N ASN A 39 7.870 -1.913 3.903 1.00 0.00 N ATOM 633 CA ASN A 39 7.855 -3.285 4.482 1.00 0.00 C ATOM 634 C ASN A 39 6.742 -4.099 3.820 1.00 0.00 C ATOM 635 O ASN A 39 6.889 -5.278 3.563 1.00 0.00 O ATOM 636 CB ASN A 39 7.599 -3.201 5.988 1.00 0.00 C ATOM 637 CG ASN A 39 8.867 -3.602 6.746 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.598 -4.469 6.312 1.00 0.00 O ATOM 639 ND2 ASN A 39 9.160 -3.002 7.867 1.00 0.00 N ATOM 0 H ASN A 39 7.483 -1.184 4.502 1.00 0.00 H new ATOM 0 HA ASN A 39 8.816 -3.767 4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.305 -2.188 6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.774 -3.858 6.264 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.003 -3.261 8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.546 -2.274 8.231 1.00 0.00 H new ATOM 646 N VAL A 40 5.629 -3.479 3.540 1.00 0.00 N ATOM 647 CA VAL A 40 4.509 -4.217 2.894 1.00 0.00 C ATOM 648 C VAL A 40 4.870 -4.510 1.437 1.00 0.00 C ATOM 649 O VAL A 40 4.989 -5.651 1.038 1.00 0.00 O ATOM 650 CB VAL A 40 3.234 -3.372 2.949 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.042 -4.222 2.504 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.008 -2.892 4.383 1.00 0.00 C ATOM 0 H VAL A 40 5.447 -2.494 3.731 1.00 0.00 H new ATOM 0 HA VAL A 40 4.339 -5.155 3.423 1.00 0.00 H new ATOM 0 HB VAL A 40 3.336 -2.512 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.133 -3.622 2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.204 -4.570 1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.939 -5.080 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.101 -2.290 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.904 -3.753 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.858 -2.290 4.704 1.00 0.00 H new ATOM 662 N ILE A 41 5.049 -3.492 0.640 1.00 0.00 N ATOM 663 CA ILE A 41 5.405 -3.723 -0.787 1.00 0.00 C ATOM 664 C ILE A 41 6.339 -4.929 -0.880 1.00 0.00 C ATOM 665 O ILE A 41 6.266 -5.717 -1.803 1.00 0.00 O ATOM 666 CB ILE A 41 6.109 -2.487 -1.350 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.348 -1.228 -0.912 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.140 -2.582 -2.878 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.323 -0.201 -2.048 1.00 0.00 C ATOM 0 H ILE A 41 4.964 -2.513 0.915 1.00 0.00 H new ATOM 0 HA ILE A 41 4.499 -3.912 -1.363 1.00 0.00 H new ATOM 0 HB ILE A 41 7.131 -2.433 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.329 -1.491 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.823 -0.795 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.640 -1.704 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.681 -3.480 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.120 -2.629 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.780 0.687 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.344 0.074 -2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.827 -0.632 -2.917 1.00 0.00 H new ATOM 681 N GLU A 42 7.212 -5.086 0.077 1.00 0.00 N ATOM 682 CA GLU A 42 8.145 -6.246 0.052 1.00 0.00 C ATOM 683 C GLU A 42 7.344 -7.533 0.255 1.00 0.00 C ATOM 684 O GLU A 42 7.631 -8.554 -0.336 1.00 0.00 O ATOM 685 CB GLU A 42 9.170 -6.097 1.177 1.00 0.00 C ATOM 686 CG GLU A 42 10.299 -7.110 0.980 1.00 0.00 C ATOM 687 CD GLU A 42 11.497 -6.712 1.845 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.306 -6.528 3.036 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.583 -6.596 1.302 1.00 0.00 O ATOM 0 H GLU A 42 7.319 -4.460 0.875 1.00 0.00 H new ATOM 0 HA GLU A 42 8.664 -6.284 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.573 -5.084 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.690 -6.255 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.957 -8.109 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.591 -7.146 -0.070 1.00 0.00 H new ATOM 696 N ASP A 43 6.334 -7.487 1.082 1.00 0.00 N ATOM 697 CA ASP A 43 5.510 -8.705 1.314 1.00 0.00 C ATOM 698 C ASP A 43 4.925 -9.168 -0.019 1.00 0.00 C ATOM 699 O ASP A 43 5.036 -10.318 -0.395 1.00 0.00 O ATOM 700 CB ASP A 43 4.375 -8.376 2.287 1.00 0.00 C ATOM 701 CG ASP A 43 3.508 -9.618 2.499 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.956 -10.519 3.189 1.00 0.00 O ATOM 703 OD2 ASP A 43 2.409 -9.649 1.969 1.00 0.00 O ATOM 0 H ASP A 43 6.046 -6.660 1.605 1.00 0.00 H new ATOM 0 HA ASP A 43 6.128 -9.495 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.784 -8.039 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.769 -7.560 1.893 1.00 0.00 H new ATOM 708 N ILE A 44 4.310 -8.274 -0.745 1.00 0.00 N ATOM 709 CA ILE A 44 3.730 -8.654 -2.061 1.00 0.00 C ATOM 710 C ILE A 44 4.818 -9.292 -2.919 1.00 0.00 C ATOM 711 O ILE A 44 4.656 -10.374 -3.446 1.00 0.00 O ATOM 712 CB ILE A 44 3.211 -7.405 -2.767 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.969 -6.889 -2.044 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.849 -7.750 -4.213 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.071 -5.373 -1.866 1.00 0.00 C ATOM 0 H ILE A 44 4.185 -7.297 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 44 2.911 -9.358 -1.910 1.00 0.00 H new ATOM 0 HB ILE A 44 3.984 -6.636 -2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.074 -7.139 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.874 -7.374 -1.072 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.478 -6.858 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.734 -8.119 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.077 -8.519 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.184 -5.007 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.957 -5.135 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.145 -4.896 -2.843 1.00 0.00 H new ATOM 727 N HIS A 45 5.931 -8.628 -3.060 1.00 0.00 N ATOM 728 CA HIS A 45 7.031 -9.195 -3.880 1.00 0.00 C ATOM 729 C HIS A 45 7.314 -10.619 -3.405 1.00 0.00 C ATOM 730 O HIS A 45 7.725 -11.468 -4.166 1.00 0.00 O ATOM 731 CB HIS A 45 8.289 -8.337 -3.709 1.00 0.00 C ATOM 732 CG HIS A 45 8.788 -7.896 -5.057 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.552 -8.631 -6.211 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.512 -6.797 -5.454 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.126 -7.973 -7.236 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.722 -6.852 -6.827 1.00 0.00 N ATOM 0 H HIS A 45 6.124 -7.718 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 45 6.745 -9.205 -4.932 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.067 -7.468 -3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 45 9.062 -8.906 -3.193 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.863 -6.012 -4.800 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.106 -8.311 -8.262 1.00 0.00 H new ATOM 0 HE2 HIS A 45 10.226 -6.177 -7.401 1.00 0.00 H new ATOM 745 N ASP A 46 7.092 -10.885 -2.146 1.00 0.00 N ATOM 746 CA ASP A 46 7.343 -12.254 -1.614 1.00 0.00 C ATOM 747 C ASP A 46 6.109 -13.131 -1.839 1.00 0.00 C ATOM 748 O ASP A 46 6.135 -14.324 -1.607 1.00 0.00 O ATOM 749 CB ASP A 46 7.641 -12.172 -0.115 1.00 0.00 C ATOM 750 CG ASP A 46 8.264 -13.487 0.356 1.00 0.00 C ATOM 751 OD1 ASP A 46 7.608 -14.509 0.232 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.385 -13.451 0.834 1.00 0.00 O ATOM 0 H ASP A 46 6.747 -10.211 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 46 8.196 -12.691 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.320 -11.343 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.723 -11.974 0.438 1.00 0.00 H new ATOM 757 N PHE A 47 5.024 -12.553 -2.279 1.00 0.00 N ATOM 758 CA PHE A 47 3.795 -13.363 -2.505 1.00 0.00 C ATOM 759 C PHE A 47 3.935 -14.158 -3.806 1.00 0.00 C ATOM 760 O PHE A 47 3.350 -15.211 -3.967 1.00 0.00 O ATOM 761 CB PHE A 47 2.582 -12.434 -2.597 1.00 0.00 C ATOM 762 CG PHE A 47 1.347 -13.240 -2.935 1.00 0.00 C ATOM 763 CD1 PHE A 47 1.161 -13.733 -4.234 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.388 -13.495 -1.947 1.00 0.00 C ATOM 765 CE1 PHE A 47 0.017 -14.478 -4.542 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.756 -14.240 -2.257 1.00 0.00 C ATOM 767 CZ PHE A 47 -0.940 -14.732 -3.554 1.00 0.00 C ATOM 0 H PHE A 47 4.936 -11.559 -2.491 1.00 0.00 H new ATOM 0 HA PHE A 47 3.659 -14.055 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.439 -11.911 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.751 -11.673 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.900 -13.538 -4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.531 -13.117 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.127 -14.857 -5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.496 -14.435 -1.495 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.822 -15.308 -3.792 1.00 0.00 H new ATOM 777 N MET A 48 4.706 -13.665 -4.736 1.00 0.00 N ATOM 778 CA MET A 48 4.879 -14.397 -6.022 1.00 0.00 C ATOM 779 C MET A 48 5.820 -15.584 -5.809 1.00 0.00 C ATOM 780 O MET A 48 5.600 -16.663 -6.322 1.00 0.00 O ATOM 781 CB MET A 48 5.468 -13.455 -7.076 1.00 0.00 C ATOM 782 CG MET A 48 6.946 -13.203 -6.772 1.00 0.00 C ATOM 783 SD MET A 48 7.620 -12.039 -7.984 1.00 0.00 S ATOM 784 CE MET A 48 6.547 -10.639 -7.579 1.00 0.00 C ATOM 0 H MET A 48 5.223 -12.789 -4.661 1.00 0.00 H new ATOM 0 HA MET A 48 3.910 -14.759 -6.366 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.360 -13.891 -8.069 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.922 -12.512 -7.081 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.058 -12.802 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.500 -14.141 -6.805 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.966 -9.726 -8.001 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.554 -10.809 -7.995 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.474 -10.538 -6.496 1.00 0.00 H new ATOM 794 N GLN A 49 6.868 -15.394 -5.055 1.00 0.00 N ATOM 795 CA GLN A 49 7.820 -16.513 -4.811 1.00 0.00 C ATOM 796 C GLN A 49 7.349 -17.320 -3.602 1.00 0.00 C ATOM 797 O GLN A 49 7.472 -18.527 -3.564 1.00 0.00 O ATOM 798 CB GLN A 49 9.216 -15.950 -4.540 1.00 0.00 C ATOM 799 CG GLN A 49 9.219 -15.192 -3.211 1.00 0.00 C ATOM 800 CD GLN A 49 10.007 -13.895 -3.372 1.00 0.00 C ATOM 801 OE1 GLN A 49 11.132 -13.791 -2.924 1.00 0.00 O ATOM 802 NE2 GLN A 49 9.457 -12.894 -3.996 1.00 0.00 N ATOM 0 H GLN A 49 7.105 -14.513 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 49 7.858 -17.158 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.945 -16.760 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.513 -15.284 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.197 -14.974 -2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.665 -15.807 -2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.513 -12.984 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.970 -12.020 -4.110 1.00 0.00 H new ATOM 811 N GLY A 50 6.803 -16.664 -2.616 1.00 0.00 N ATOM 812 CA GLY A 50 6.319 -17.398 -1.414 1.00 0.00 C ATOM 813 C GLY A 50 5.504 -18.612 -1.863 1.00 0.00 C ATOM 814 O GLY A 50 5.107 -19.436 -1.063 1.00 0.00 O ATOM 0 H GLY A 50 6.671 -15.653 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.163 -17.717 -0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.707 -16.743 -0.794 1.00 0.00 H new ATOM 818 N GLY A 51 5.250 -18.728 -3.138 1.00 0.00 N ATOM 819 CA GLY A 51 4.462 -19.888 -3.640 1.00 0.00 C ATOM 820 C GLY A 51 2.973 -19.638 -3.401 1.00 0.00 C ATOM 821 O GLY A 51 2.147 -19.881 -4.260 1.00 0.00 O ATOM 0 H GLY A 51 5.555 -18.069 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.650 -20.036 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.774 -20.800 -3.131 1.00 0.00 H new ATOM 825 N GLY A 52 2.620 -19.155 -2.242 1.00 0.00 N ATOM 826 CA GLY A 52 1.183 -18.892 -1.950 1.00 0.00 C ATOM 827 C GLY A 52 0.980 -18.834 -0.437 1.00 0.00 C ATOM 828 O GLY A 52 0.112 -19.486 0.110 1.00 0.00 O ATOM 0 H GLY A 52 3.265 -18.931 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.873 -17.952 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.562 -19.677 -2.382 1.00 0.00 H new ATOM 832 N SER A 53 1.777 -18.058 0.244 1.00 0.00 N ATOM 833 CA SER A 53 1.636 -17.957 1.722 1.00 0.00 C ATOM 834 C SER A 53 0.596 -16.891 2.066 1.00 0.00 C ATOM 835 O SER A 53 0.906 -15.876 2.657 1.00 0.00 O ATOM 836 CB SER A 53 2.982 -17.572 2.334 1.00 0.00 C ATOM 837 OG SER A 53 4.028 -18.152 1.568 1.00 0.00 O ATOM 0 H SER A 53 2.521 -17.489 -0.161 1.00 0.00 H new ATOM 0 HA SER A 53 1.314 -18.918 2.123 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.089 -16.487 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.037 -17.917 3.366 1.00 0.00 H new ATOM 0 HG SER A 53 4.893 -17.906 1.957 1.00 0.00 H new ATOM 843 N GLY A 54 -0.638 -17.115 1.709 1.00 0.00 N ATOM 844 CA GLY A 54 -1.693 -16.113 2.028 1.00 0.00 C ATOM 845 C GLY A 54 -1.587 -15.733 3.505 1.00 0.00 C ATOM 846 O GLY A 54 -2.275 -14.852 3.980 1.00 0.00 O ATOM 0 H GLY A 54 -0.961 -17.945 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.574 -15.229 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.680 -16.524 1.815 1.00 0.00 H new ATOM 850 N GLY A 55 -0.726 -16.391 4.233 1.00 0.00 N ATOM 851 CA GLY A 55 -0.571 -16.067 5.677 1.00 0.00 C ATOM 852 C GLY A 55 0.470 -14.961 5.832 1.00 0.00 C ATOM 853 O GLY A 55 0.333 -14.079 6.656 1.00 0.00 O ATOM 0 H GLY A 55 -0.124 -17.139 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.525 -15.746 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.263 -16.954 6.230 1.00 0.00 H new ATOM 857 N LYS A 56 1.507 -14.994 5.040 1.00 0.00 N ATOM 858 CA LYS A 56 2.548 -13.934 5.142 1.00 0.00 C ATOM 859 C LYS A 56 1.915 -12.591 4.791 1.00 0.00 C ATOM 860 O LYS A 56 2.464 -11.541 5.058 1.00 0.00 O ATOM 861 CB LYS A 56 3.687 -14.233 4.166 1.00 0.00 C ATOM 862 CG LYS A 56 4.524 -15.399 4.694 1.00 0.00 C ATOM 863 CD LYS A 56 5.867 -14.873 5.203 1.00 0.00 C ATOM 864 CE LYS A 56 6.798 -16.049 5.500 1.00 0.00 C ATOM 865 NZ LYS A 56 6.689 -17.056 4.408 1.00 0.00 N ATOM 0 H LYS A 56 1.677 -15.706 4.330 1.00 0.00 H new ATOM 0 HA LYS A 56 2.948 -13.905 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.283 -14.478 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.314 -13.350 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.992 -15.908 5.498 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.684 -16.133 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.318 -14.218 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.718 -14.277 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.827 -15.700 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.535 -16.503 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.537 -17.658 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.847 -17.646 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.607 -16.568 3.493 1.00 0.00 H new ATOM 879 N LEU A 57 0.757 -12.622 4.194 1.00 0.00 N ATOM 880 CA LEU A 57 0.074 -11.356 3.823 1.00 0.00 C ATOM 881 C LEU A 57 -0.680 -10.816 5.037 1.00 0.00 C ATOM 882 O LEU A 57 -0.433 -9.721 5.498 1.00 0.00 O ATOM 883 CB LEU A 57 -0.916 -11.632 2.693 1.00 0.00 C ATOM 884 CG LEU A 57 -1.424 -10.307 2.127 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.291 -10.579 0.901 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.258 -9.581 3.186 1.00 0.00 C ATOM 0 H LEU A 57 0.254 -13.474 3.947 1.00 0.00 H new ATOM 0 HA LEU A 57 0.810 -10.623 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.435 -12.215 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.752 -12.226 3.064 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.574 -9.685 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.654 -9.635 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.700 -11.095 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.139 -11.202 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.619 -8.636 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.107 -10.203 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.642 -9.387 4.064 1.00 0.00 H new ATOM 898 N GLN A 58 -1.601 -11.578 5.560 1.00 0.00 N ATOM 899 CA GLN A 58 -2.367 -11.103 6.744 1.00 0.00 C ATOM 900 C GLN A 58 -1.391 -10.524 7.767 1.00 0.00 C ATOM 901 O GLN A 58 -1.784 -9.919 8.746 1.00 0.00 O ATOM 902 CB GLN A 58 -3.137 -12.272 7.360 1.00 0.00 C ATOM 903 CG GLN A 58 -4.502 -12.397 6.678 1.00 0.00 C ATOM 904 CD GLN A 58 -4.375 -12.024 5.198 1.00 0.00 C ATOM 905 OE1 GLN A 58 -3.751 -12.732 4.433 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.944 -10.933 4.759 1.00 0.00 N ATOM 0 H GLN A 58 -1.855 -12.505 5.219 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.077 -10.333 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.573 -13.197 7.241 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.266 -12.113 8.431 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.876 -13.416 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.225 -11.744 7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.468 -10.338 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.864 -10.677 3.775 1.00 0.00 H new ATOM 915 N GLU A 59 -0.116 -10.693 7.540 1.00 0.00 N ATOM 916 CA GLU A 59 0.893 -10.142 8.486 1.00 0.00 C ATOM 917 C GLU A 59 1.109 -8.662 8.167 1.00 0.00 C ATOM 918 O GLU A 59 0.941 -7.805 9.011 1.00 0.00 O ATOM 919 CB GLU A 59 2.213 -10.900 8.329 1.00 0.00 C ATOM 920 CG GLU A 59 2.051 -12.323 8.865 1.00 0.00 C ATOM 921 CD GLU A 59 3.427 -12.897 9.210 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.153 -13.236 8.290 1.00 0.00 O ATOM 923 OE2 GLU A 59 3.731 -12.987 10.388 1.00 0.00 O ATOM 0 H GLU A 59 0.270 -11.191 6.737 1.00 0.00 H new ATOM 0 HA GLU A 59 0.540 -10.253 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.507 -10.927 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.007 -10.385 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.414 -12.320 9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.560 -12.950 8.121 1.00 0.00 H new ATOM 930 N MET A 60 1.469 -8.352 6.948 1.00 0.00 N ATOM 931 CA MET A 60 1.679 -6.926 6.579 1.00 0.00 C ATOM 932 C MET A 60 0.322 -6.223 6.540 1.00 0.00 C ATOM 933 O MET A 60 0.238 -5.012 6.470 1.00 0.00 O ATOM 934 CB MET A 60 2.345 -6.838 5.204 1.00 0.00 C ATOM 935 CG MET A 60 1.490 -7.575 4.172 1.00 0.00 C ATOM 936 SD MET A 60 0.036 -6.573 3.768 1.00 0.00 S ATOM 937 CE MET A 60 0.025 -6.873 1.982 1.00 0.00 C ATOM 0 H MET A 60 1.625 -9.024 6.197 1.00 0.00 H new ATOM 0 HA MET A 60 2.325 -6.446 7.314 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.465 -5.794 4.913 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.343 -7.275 5.243 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.073 -7.768 3.272 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.180 -8.543 4.565 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.424 -6.001 1.464 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.641 -7.743 1.755 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.997 -7.056 1.650 1.00 0.00 H new ATOM 947 N MET A 61 -0.741 -6.979 6.593 1.00 0.00 N ATOM 948 CA MET A 61 -2.099 -6.367 6.570 1.00 0.00 C ATOM 949 C MET A 61 -2.152 -5.245 7.608 1.00 0.00 C ATOM 950 O MET A 61 -2.553 -4.135 7.319 1.00 0.00 O ATOM 951 CB MET A 61 -3.140 -7.440 6.907 1.00 0.00 C ATOM 952 CG MET A 61 -4.486 -6.784 7.234 1.00 0.00 C ATOM 953 SD MET A 61 -5.789 -7.563 6.246 1.00 0.00 S ATOM 954 CE MET A 61 -7.012 -7.732 7.569 1.00 0.00 C ATOM 0 H MET A 61 -0.727 -7.997 6.651 1.00 0.00 H new ATOM 0 HA MET A 61 -2.313 -5.959 5.582 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.255 -8.123 6.066 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.800 -8.034 7.756 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.707 -6.890 8.296 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.443 -5.716 7.023 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.914 -8.199 7.173 1.00 0.00 H new ATOM 0 HE2 MET A 61 -6.602 -8.352 8.366 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.258 -6.747 7.965 1.00 0.00 H new ATOM 964 N LYS A 62 -1.741 -5.523 8.815 1.00 0.00 N ATOM 965 CA LYS A 62 -1.759 -4.469 9.866 1.00 0.00 C ATOM 966 C LYS A 62 -0.920 -3.282 9.395 1.00 0.00 C ATOM 967 O LYS A 62 -1.222 -2.141 9.680 1.00 0.00 O ATOM 968 CB LYS A 62 -1.174 -5.027 11.165 1.00 0.00 C ATOM 969 CG LYS A 62 -2.138 -6.056 11.757 1.00 0.00 C ATOM 970 CD LYS A 62 -1.499 -6.706 12.986 1.00 0.00 C ATOM 971 CE LYS A 62 -2.425 -7.797 13.524 1.00 0.00 C ATOM 972 NZ LYS A 62 -3.247 -7.245 14.639 1.00 0.00 N ATOM 0 H LYS A 62 -1.394 -6.433 9.118 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.785 -4.147 10.046 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.206 -5.489 10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.005 -4.219 11.877 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.076 -5.574 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.377 -6.816 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.531 -7.133 12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.318 -5.955 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.072 -8.165 12.728 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.839 -8.646 13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.877 -7.987 15.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.621 -6.915 15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.817 -6.448 14.289 1.00 0.00 H new ATOM 986 N GLU A 63 0.132 -3.545 8.669 1.00 0.00 N ATOM 987 CA GLU A 63 0.991 -2.445 8.171 1.00 0.00 C ATOM 988 C GLU A 63 0.292 -1.757 6.996 1.00 0.00 C ATOM 989 O GLU A 63 0.402 -0.562 6.804 1.00 0.00 O ATOM 990 CB GLU A 63 2.321 -3.035 7.705 1.00 0.00 C ATOM 991 CG GLU A 63 3.359 -2.904 8.822 1.00 0.00 C ATOM 992 CD GLU A 63 4.122 -1.589 8.659 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.481 -0.550 8.655 1.00 0.00 O ATOM 994 OE2 GLU A 63 5.336 -1.641 8.545 1.00 0.00 O ATOM 0 H GLU A 63 0.431 -4.482 8.400 1.00 0.00 H new ATOM 0 HA GLU A 63 1.169 -1.716 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.191 -4.083 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.667 -2.517 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.868 -2.933 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.052 -3.745 8.789 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.430 -2.509 6.212 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.147 -1.914 5.050 1.00 0.00 C ATOM 1003 C PHE A 64 -2.288 -1.028 5.561 1.00 0.00 C ATOM 1004 O PHE A 64 -2.344 0.153 5.283 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.725 -3.040 4.189 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.560 -2.703 2.725 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.714 -1.384 2.285 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.251 -3.715 1.808 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.562 -1.077 0.926 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.099 -3.408 0.451 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.254 -2.090 0.010 1.00 0.00 C ATOM 0 H PHE A 64 -0.555 -3.515 6.327 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.457 -1.314 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.219 -3.979 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.780 -3.183 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.950 -0.603 2.992 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.130 -4.733 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.682 -0.059 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.862 -4.189 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.136 -1.854 -1.037 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.197 -1.596 6.309 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.338 -0.797 6.841 1.00 0.00 C ATOM 1023 C GLN A 65 -3.811 0.280 7.793 1.00 0.00 C ATOM 1024 O GLN A 65 -4.542 1.142 8.236 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.296 -1.726 7.593 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.563 -0.963 7.992 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.293 -0.480 6.737 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.175 0.352 6.817 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -6.962 -0.969 5.574 1.00 0.00 N ATOM 0 H GLN A 65 -3.198 -2.581 6.574 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.866 -0.318 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.557 -2.578 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.806 -2.124 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.217 -1.608 8.579 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.303 -0.113 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.222 -1.667 5.506 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.443 -0.653 4.732 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.543 0.249 8.100 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.978 1.282 9.010 1.00 0.00 C ATOM 1040 C GLN A 66 -1.718 2.542 8.195 1.00 0.00 C ATOM 1041 O GLN A 66 -1.881 3.652 8.663 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.663 0.778 9.606 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.942 0.082 10.938 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.777 1.082 12.083 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -1.002 2.264 11.912 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -0.392 0.656 13.255 1.00 0.00 N ATOM 0 H GLN A 66 -1.877 -0.445 7.761 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.675 1.492 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.180 0.086 8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.024 1.611 9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.952 -0.327 10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.258 -0.756 11.072 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.203 -0.336 13.400 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.280 1.315 14.026 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.326 2.368 6.968 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.063 3.537 6.093 1.00 0.00 C ATOM 1057 C VAL A 67 -2.391 4.024 5.519 1.00 0.00 C ATOM 1058 O VAL A 67 -2.624 5.206 5.371 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.145 3.106 4.952 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.837 4.232 4.623 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.635 1.864 5.376 1.00 0.00 C ATOM 0 H VAL A 67 -1.175 1.459 6.531 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.588 4.337 6.661 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.745 2.883 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.490 3.919 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.283 5.122 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.439 4.459 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.292 1.552 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.232 2.093 6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.062 1.059 5.608 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.266 3.110 5.197 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.584 3.504 4.633 1.00 0.00 C ATOM 1073 C LEU A 68 -5.236 4.534 5.555 1.00 0.00 C ATOM 1074 O LEU A 68 -5.752 5.542 5.115 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.481 2.264 4.526 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.860 2.650 3.975 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.700 3.304 5.075 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.698 3.632 2.811 1.00 0.00 C ATOM 0 H LEU A 68 -3.122 2.106 5.301 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.449 3.938 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.015 1.525 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.590 1.800 5.506 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.363 1.749 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.677 3.575 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.827 2.604 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.194 4.200 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.680 3.903 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.186 4.529 3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.112 3.165 2.020 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.214 4.287 6.836 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.829 5.247 7.794 1.00 0.00 C ATOM 1092 C ASP A 69 -4.838 6.375 8.093 1.00 0.00 C ATOM 1093 O ASP A 69 -5.168 7.348 8.743 1.00 0.00 O ATOM 1094 CB ASP A 69 -6.175 4.513 9.093 1.00 0.00 C ATOM 1095 CG ASP A 69 -7.691 4.526 9.301 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -8.403 4.282 8.340 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -8.113 4.778 10.417 1.00 0.00 O ATOM 0 H ASP A 69 -4.795 3.460 7.261 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.736 5.668 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.812 3.486 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.678 4.992 9.937 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.625 6.251 7.629 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.613 7.313 7.892 1.00 0.00 C ATOM 1104 C GLU A 70 -2.738 8.418 6.843 1.00 0.00 C ATOM 1105 O GLU A 70 -3.145 9.523 7.141 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.209 6.708 7.832 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.209 7.662 8.489 1.00 0.00 C ATOM 1108 CD GLU A 70 0.994 6.866 8.997 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.105 5.705 8.638 1.00 0.00 O ATOM 1110 OE2 GLU A 70 1.783 7.431 9.736 1.00 0.00 O ATOM 0 H GLU A 70 -3.291 5.460 7.079 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.785 7.736 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.196 5.744 8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.925 6.525 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.116 8.416 7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.684 8.192 9.315 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.390 8.135 5.619 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.490 9.183 4.568 1.00 0.00 C ATOM 1119 C ILE A 71 -3.894 9.789 4.597 1.00 0.00 C ATOM 1120 O ILE A 71 -4.070 10.979 4.435 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.220 8.579 3.189 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.592 7.190 3.342 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.260 9.487 2.422 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.938 6.780 2.021 1.00 0.00 C ATOM 0 H ILE A 71 -2.043 7.229 5.303 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.748 9.957 4.762 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.160 8.489 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.850 7.200 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.354 6.463 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.064 9.061 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.707 10.475 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.323 9.574 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.491 5.792 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.692 6.754 1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.165 7.502 1.758 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.896 8.979 4.811 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.285 9.514 4.861 1.00 0.00 C ATOM 1138 C LYS A 72 -6.302 10.773 5.729 1.00 0.00 C ATOM 1139 O LYS A 72 -6.986 11.734 5.438 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.214 8.460 5.468 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.665 8.796 5.125 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.558 8.483 6.326 1.00 0.00 C ATOM 1143 CE LYS A 72 -11.021 8.438 5.878 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.148 9.066 4.534 1.00 0.00 N ATOM 0 H LYS A 72 -4.812 7.972 4.953 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.625 9.757 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.959 7.472 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.084 8.426 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.752 9.849 4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.988 8.220 4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.272 7.528 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.426 9.241 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.370 7.406 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.649 8.963 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.145 9.298 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.579 9.936 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.809 8.403 3.808 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.544 10.774 6.791 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.503 11.969 7.677 1.00 0.00 C ATOM 1160 C GLN A 73 -4.827 13.120 6.931 1.00 0.00 C ATOM 1161 O GLN A 73 -5.226 14.262 7.038 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.706 11.638 8.939 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.071 10.231 9.417 1.00 0.00 C ATOM 1164 CD GLN A 73 -5.387 10.267 10.913 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -4.753 10.983 11.663 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -6.346 9.516 11.384 1.00 0.00 N ATOM 0 H GLN A 73 -4.951 9.997 7.083 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.516 12.258 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.637 11.698 8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.922 12.367 9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.932 9.858 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.246 9.545 9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.879 8.915 10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.562 9.531 12.381 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.808 12.824 6.171 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.110 13.900 5.413 1.00 0.00 C ATOM 1177 C GLN A 74 -4.142 14.707 4.624 1.00 0.00 C ATOM 1178 O GLN A 74 -3.962 15.879 4.363 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.103 13.276 4.443 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.093 12.438 5.229 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.129 13.362 5.976 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.677 12.910 6.763 1.00 0.00 O ATOM 1183 NE2 GLN A 74 -0.181 14.647 5.763 1.00 0.00 N ATOM 0 H GLN A 74 -3.430 11.886 6.043 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.583 14.553 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.621 12.652 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.588 14.057 3.884 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.613 11.791 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.539 11.789 4.551 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.858 15.027 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.455 15.272 6.258 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.225 14.086 4.246 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.271 14.814 3.475 1.00 0.00 C ATOM 1194 C LEU A 75 -6.914 15.873 4.373 1.00 0.00 C ATOM 1195 O LEU A 75 -8.097 16.135 4.290 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.339 13.825 3.005 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.832 13.062 1.779 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.531 14.049 0.649 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.554 12.304 2.144 1.00 0.00 C ATOM 0 H LEU A 75 -5.431 13.106 4.438 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.819 15.296 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.579 13.126 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.258 14.357 2.760 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.595 12.356 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.170 13.504 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.440 14.591 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.768 14.756 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.192 11.760 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.793 13.011 2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.766 11.600 2.948 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.142 16.484 5.230 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.706 17.527 6.134 1.00 0.00 C ATOM 1213 C GLN A 76 -6.881 18.835 5.358 1.00 0.00 C ATOM 1214 O GLN A 76 -7.330 19.829 5.893 1.00 0.00 O ATOM 1215 CB GLN A 76 -5.750 17.754 7.306 1.00 0.00 C ATOM 1216 CG GLN A 76 -6.488 18.471 8.438 1.00 0.00 C ATOM 1217 CD GLN A 76 -5.483 18.926 9.499 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -4.678 18.143 9.964 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -5.494 20.167 9.903 1.00 0.00 N ATOM 0 H GLN A 76 -5.144 16.306 5.343 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.674 17.197 6.512 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.359 16.800 7.660 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.895 18.348 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.031 19.330 8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.226 17.804 8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.169 20.824 9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.827 20.480 10.609 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.529 18.842 4.101 1.00 0.00 N ATOM 1229 CA GLY A 77 -6.674 20.086 3.293 1.00 0.00 C ATOM 1230 C GLY A 77 -5.300 20.531 2.789 1.00 0.00 C ATOM 1231 O GLY A 77 -4.647 21.360 3.390 1.00 0.00 O ATOM 0 H GLY A 77 -6.147 18.040 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.342 19.909 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.124 20.874 3.897 1.00 0.00 H new ATOM 1235 N GLY A 78 -4.856 19.985 1.690 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.524 20.377 1.149 1.00 0.00 C ATOM 1237 C GLY A 78 -3.112 19.403 0.045 1.00 0.00 C ATOM 1238 O GLY A 78 -2.748 19.800 -1.043 1.00 0.00 O ATOM 0 H GLY A 78 -5.358 19.285 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.565 21.393 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.781 20.374 1.947 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.165 18.128 0.318 1.00 0.00 N ATOM 1243 CA ASP A 79 -2.774 17.127 -0.714 1.00 0.00 C ATOM 1244 C ASP A 79 -4.012 16.701 -1.507 1.00 0.00 C ATOM 1245 O ASP A 79 -4.356 15.538 -1.562 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.164 15.903 -0.030 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.639 15.846 1.423 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -2.084 16.568 2.235 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -3.550 15.083 1.698 1.00 0.00 O ATOM 0 H ASP A 79 -3.462 17.736 1.212 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.043 17.570 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.457 14.994 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.076 15.956 -0.067 1.00 0.00 H new ATOM 1254 N ASN A 80 -4.685 17.634 -2.122 1.00 0.00 N ATOM 1255 CA ASN A 80 -5.898 17.274 -2.910 1.00 0.00 C ATOM 1256 C ASN A 80 -5.535 16.197 -3.933 1.00 0.00 C ATOM 1257 O ASN A 80 -6.383 15.683 -4.635 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.423 18.516 -3.632 1.00 0.00 C ATOM 1259 CG ASN A 80 -5.471 19.688 -3.388 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -4.721 20.068 -4.265 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -5.466 20.279 -2.224 1.00 0.00 N ATOM 0 H ASN A 80 -4.449 18.626 -2.113 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.670 16.893 -2.242 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.509 18.320 -4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.422 18.764 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.833 21.060 -2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.096 19.960 -1.487 1.00 0.00 H new ATOM 1268 N SER A 81 -4.282 15.837 -4.006 1.00 0.00 N ATOM 1269 CA SER A 81 -3.870 14.777 -4.961 1.00 0.00 C ATOM 1270 C SER A 81 -4.119 13.433 -4.292 1.00 0.00 C ATOM 1271 O SER A 81 -4.705 12.536 -4.865 1.00 0.00 O ATOM 1272 CB SER A 81 -2.383 14.922 -5.291 1.00 0.00 C ATOM 1273 OG SER A 81 -2.244 15.516 -6.575 1.00 0.00 O ATOM 0 H SER A 81 -3.528 16.233 -3.444 1.00 0.00 H new ATOM 0 HA SER A 81 -4.438 14.857 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.889 15.536 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.898 13.946 -5.274 1.00 0.00 H new ATOM 0 HG SER A 81 -2.554 16.445 -6.541 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.701 13.301 -3.063 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.936 12.032 -2.335 1.00 0.00 C ATOM 1281 C LEU A 82 -5.423 11.715 -2.412 1.00 0.00 C ATOM 1282 O LEU A 82 -5.828 10.579 -2.566 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.525 12.197 -0.877 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.039 11.884 -0.749 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.266 12.606 -1.851 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.532 12.356 0.610 1.00 0.00 C ATOM 0 H LEU A 82 -3.207 14.020 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.351 11.225 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.727 13.214 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.108 11.529 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.890 10.808 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.204 12.381 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.624 12.272 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.419 13.681 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.469 12.131 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.685 13.431 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.079 11.843 1.401 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.237 12.728 -2.323 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.705 12.515 -2.407 1.00 0.00 C ATOM 1300 C HIS A 83 -7.986 11.557 -3.560 1.00 0.00 C ATOM 1301 O HIS A 83 -8.964 10.836 -3.563 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.400 13.853 -2.668 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.892 13.664 -2.631 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.577 13.396 -1.454 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.848 13.703 -3.619 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.884 13.287 -1.759 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -12.100 13.465 -3.063 1.00 0.00 N ATOM 0 H HIS A 83 -5.947 13.697 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.080 12.097 -1.473 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.097 14.584 -1.918 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.098 14.248 -3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.656 13.890 -4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.661 13.081 -1.037 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.996 13.433 -3.550 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.123 11.541 -4.540 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.322 10.627 -5.698 1.00 0.00 C ATOM 1318 C ASN A 84 -6.367 9.436 -5.570 1.00 0.00 C ATOM 1319 O ASN A 84 -6.666 8.340 -5.999 1.00 0.00 O ATOM 1320 CB ASN A 84 -7.045 11.387 -7.002 1.00 0.00 C ATOM 1321 CG ASN A 84 -5.597 11.161 -7.446 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -4.756 12.023 -7.283 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -5.268 10.029 -8.006 1.00 0.00 N ATOM 0 H ASN A 84 -6.287 12.124 -4.587 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.349 10.263 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.729 11.050 -7.781 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.227 12.452 -6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.306 9.869 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.973 9.304 -8.144 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.219 9.644 -4.980 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.253 8.526 -4.823 1.00 0.00 C ATOM 1332 C VAL A 85 -4.578 7.752 -3.544 1.00 0.00 C ATOM 1333 O VAL A 85 -4.644 6.539 -3.542 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.838 9.094 -4.734 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.845 8.042 -5.214 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.728 10.337 -5.619 1.00 0.00 C ATOM 0 H VAL A 85 -4.912 10.540 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.322 7.855 -5.679 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.618 9.365 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.833 8.442 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.923 7.155 -4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.068 7.776 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.718 10.741 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.946 10.068 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.442 11.088 -5.281 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.789 8.441 -2.454 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.116 7.736 -1.183 1.00 0.00 C ATOM 1348 C HIS A 86 -6.283 6.780 -1.432 1.00 0.00 C ATOM 1349 O HIS A 86 -6.428 5.774 -0.768 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.498 8.763 -0.112 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.459 8.145 0.870 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.831 8.131 0.655 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.262 7.524 2.080 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -8.401 7.521 1.711 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.488 7.133 2.605 1.00 0.00 N ATOM 0 H HIS A 86 -4.749 9.458 -2.390 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.251 7.171 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.605 9.109 0.408 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.953 9.637 -0.579 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -8.318 8.513 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.303 7.364 2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -9.464 7.365 1.821 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.110 7.085 -2.394 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.262 6.191 -2.696 1.00 0.00 C ATOM 1366 C GLU A 87 -7.735 4.899 -3.321 1.00 0.00 C ATOM 1367 O GLU A 87 -8.413 3.892 -3.360 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.204 6.889 -3.679 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.642 6.440 -3.416 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.391 6.315 -4.744 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.837 5.731 -5.660 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.505 6.806 -4.822 1.00 0.00 O ATOM 0 H GLU A 87 -7.037 7.914 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.805 5.962 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.124 7.971 -3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.919 6.650 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.645 5.483 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.146 7.158 -2.769 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.524 4.923 -3.810 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.944 3.700 -4.433 1.00 0.00 C ATOM 1381 C ASN A 88 -5.761 2.621 -3.365 1.00 0.00 C ATOM 1382 O ASN A 88 -6.370 1.571 -3.421 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.588 4.041 -5.056 1.00 0.00 C ATOM 1384 CG ASN A 88 -4.723 5.303 -5.910 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -5.754 5.944 -5.907 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -3.718 5.691 -6.647 1.00 0.00 N ATOM 0 H ASN A 88 -5.911 5.738 -3.804 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.617 3.331 -5.207 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.845 4.196 -4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.238 3.210 -5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.800 6.531 -7.219 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.851 5.154 -6.651 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.928 2.867 -2.390 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.714 1.848 -1.323 1.00 0.00 C ATOM 1395 C ILE A 89 -6.052 1.183 -0.997 1.00 0.00 C ATOM 1396 O ILE A 89 -6.162 -0.025 -0.968 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.142 2.527 -0.067 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.646 2.803 -0.277 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.324 1.622 1.161 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.934 2.866 1.077 1.00 0.00 C ATOM 0 H ILE A 89 -4.388 3.726 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.007 1.093 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.674 3.463 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.206 2.019 -0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.512 3.743 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.914 2.117 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.385 1.427 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.802 0.679 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.873 3.062 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.366 3.666 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.055 1.915 1.596 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.068 1.960 -0.749 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.394 1.366 -0.413 1.00 0.00 C ATOM 1414 C LYS A 90 -8.669 0.163 -1.320 1.00 0.00 C ATOM 1415 O LYS A 90 -8.768 -0.958 -0.863 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.487 2.416 -0.616 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.750 1.987 0.134 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.809 3.085 0.015 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.542 2.944 -1.320 1.00 0.00 C ATOM 1420 NZ LYS A 90 -13.238 1.627 -1.367 1.00 0.00 N ATOM 0 H LYS A 90 -7.039 2.979 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.388 1.038 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.147 3.386 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.703 2.531 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.131 1.053 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.518 1.802 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.517 3.013 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.340 4.067 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.263 3.753 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.835 3.024 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.109 1.714 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.613 0.920 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.478 1.326 -0.401 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.799 0.381 -2.599 1.00 0.00 N ATOM 1435 CA GLU A 91 -9.071 -0.758 -3.521 1.00 0.00 C ATOM 1436 C GLU A 91 -7.788 -1.566 -3.730 1.00 0.00 C ATOM 1437 O GLU A 91 -7.798 -2.782 -3.721 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.559 -0.222 -4.869 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.846 0.579 -4.664 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.391 1.026 -6.022 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -11.463 0.197 -6.914 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -11.728 2.193 -6.146 1.00 0.00 O ATOM 0 H GLU A 91 -8.729 1.296 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.838 -1.399 -3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.793 0.409 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.738 -1.048 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.587 -0.029 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.650 1.447 -4.035 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.684 -0.900 -3.921 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.399 -1.622 -4.134 1.00 0.00 C ATOM 1451 C ILE A 92 -5.143 -2.579 -2.963 1.00 0.00 C ATOM 1452 O ILE A 92 -4.987 -3.771 -3.141 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.259 -0.598 -4.226 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.949 -0.310 -5.699 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -3.002 -1.143 -3.538 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.140 -1.467 -6.289 1.00 0.00 C ATOM 0 H ILE A 92 -6.616 0.118 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.450 -2.198 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.567 0.321 -3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.876 -0.179 -6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.389 0.621 -5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.200 -0.408 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.219 -1.342 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.692 -2.067 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.920 -1.261 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.206 -1.577 -5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.716 -2.389 -6.214 1.00 0.00 H new ATOM 1468 N PHE A 93 -5.084 -2.059 -1.771 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.822 -2.920 -0.584 1.00 0.00 C ATOM 1470 C PHE A 93 -5.831 -4.070 -0.527 1.00 0.00 C ATOM 1471 O PHE A 93 -5.463 -5.218 -0.366 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.930 -2.061 0.679 1.00 0.00 C ATOM 1473 CG PHE A 93 -5.024 -2.935 1.903 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.219 -4.072 2.025 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.915 -2.593 2.923 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.308 -4.868 3.168 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -6.006 -3.388 4.067 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.203 -4.527 4.192 1.00 0.00 C ATOM 0 H PHE A 93 -5.207 -1.068 -1.565 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.822 -3.348 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.061 -1.407 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.808 -1.418 0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.530 -4.334 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.534 -1.713 2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.687 -5.747 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.696 -3.124 4.855 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.273 -5.143 5.076 1.00 0.00 H new ATOM 1488 N HIS A 94 -7.095 -3.781 -0.653 1.00 0.00 N ATOM 1489 CA HIS A 94 -8.109 -4.872 -0.602 1.00 0.00 C ATOM 1490 C HIS A 94 -8.044 -5.695 -1.890 1.00 0.00 C ATOM 1491 O HIS A 94 -8.815 -6.612 -2.089 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.507 -4.269 -0.446 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.308 -5.103 0.515 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.268 -4.551 1.353 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.302 -6.449 0.789 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -11.794 -5.552 2.083 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.240 -6.725 1.777 1.00 0.00 N ATOM 0 H HIS A 94 -7.470 -2.842 -0.788 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.899 -5.519 0.250 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.434 -3.244 -0.082 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.007 -4.228 -1.414 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.667 -7.180 0.311 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.568 -5.421 2.824 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.459 -7.635 2.183 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.124 -5.385 -2.762 1.00 0.00 N ATOM 1507 CA HIS A 95 -7.014 -6.164 -4.026 1.00 0.00 C ATOM 1508 C HIS A 95 -6.056 -7.333 -3.803 1.00 0.00 C ATOM 1509 O HIS A 95 -6.142 -8.355 -4.454 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.485 -5.264 -5.148 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.459 -5.268 -6.295 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.080 -6.427 -6.734 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.928 -4.261 -7.102 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -8.883 -6.093 -7.762 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.825 -4.786 -8.024 1.00 0.00 N ATOM 0 H HIS A 95 -6.447 -4.630 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.995 -6.541 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.346 -4.248 -4.779 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.510 -5.618 -5.483 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.644 -3.222 -7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.497 -6.795 -8.306 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.333 -4.279 -8.749 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.148 -7.194 -2.878 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.195 -8.302 -2.602 1.00 0.00 C ATOM 1526 C LEU A 96 -4.925 -9.387 -1.809 1.00 0.00 C ATOM 1527 O LEU A 96 -4.928 -10.545 -2.178 1.00 0.00 O ATOM 1528 CB LEU A 96 -3.021 -7.771 -1.780 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.717 -8.444 -2.224 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.653 -8.215 -1.157 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.928 -9.952 -2.400 1.00 0.00 C ATOM 0 H LEU A 96 -5.025 -6.361 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.819 -8.714 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.941 -6.691 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.194 -7.960 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.402 -8.015 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.279 -8.690 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.490 -7.145 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.986 -8.646 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.993 -10.416 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.248 -10.388 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.693 -10.126 -3.157 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.548 -9.017 -0.724 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.282 -10.021 0.092 1.00 0.00 C ATOM 1545 C GLU A 97 -7.184 -10.846 -0.826 1.00 0.00 C ATOM 1546 O GLU A 97 -7.774 -11.826 -0.416 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.134 -9.295 1.135 1.00 0.00 C ATOM 1548 CG GLU A 97 -8.102 -10.283 1.788 1.00 0.00 C ATOM 1549 CD GLU A 97 -8.779 -9.614 2.987 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -8.191 -8.698 3.537 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.873 -10.029 3.333 1.00 0.00 O ATOM 0 H GLU A 97 -5.580 -8.062 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.576 -10.680 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.493 -8.844 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.690 -8.484 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.852 -10.605 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.566 -11.175 2.110 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.288 -10.463 -2.071 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.143 -11.231 -3.016 1.00 0.00 C ATOM 1560 C GLU A 98 -7.294 -12.302 -3.698 1.00 0.00 C ATOM 1561 O GLU A 98 -7.701 -13.440 -3.823 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.729 -10.290 -4.072 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.957 -9.576 -3.503 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.838 -9.084 -4.652 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.451 -9.277 -5.793 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.884 -8.522 -4.373 1.00 0.00 O ATOM 0 H GLU A 98 -6.817 -9.652 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.960 -11.700 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.980 -9.559 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.005 -10.854 -4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.521 -10.254 -2.863 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.647 -8.735 -2.882 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.111 -11.955 -4.135 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.249 -12.970 -4.795 1.00 0.00 C ATOM 1575 C LEU A 99 -4.987 -14.106 -3.808 1.00 0.00 C ATOM 1576 O LEU A 99 -4.404 -15.119 -4.142 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.922 -12.329 -5.212 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.116 -11.559 -6.519 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.380 -10.220 -6.440 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.554 -12.380 -7.684 1.00 0.00 C ATOM 0 H LEU A 99 -5.710 -11.020 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.746 -13.359 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.569 -11.656 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.159 -13.097 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.179 -11.380 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.519 -9.673 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.779 -9.634 -5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.317 -10.398 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.692 -11.831 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.491 -12.560 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.078 -13.334 -7.743 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.420 -13.940 -2.588 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.211 -14.998 -1.563 1.00 0.00 C ATOM 1594 C VAL A 100 -6.570 -15.520 -1.100 1.00 0.00 C ATOM 1595 O VAL A 100 -6.675 -16.572 -0.503 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.442 -14.409 -0.377 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.708 -13.151 -0.830 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.414 -14.039 0.742 1.00 0.00 C ATOM 0 H VAL A 100 -5.913 -13.111 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.635 -15.821 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.730 -15.148 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.159 -12.728 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.011 -13.404 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.430 -12.421 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.860 -13.621 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.128 -13.301 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.949 -14.931 1.069 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.612 -14.782 -1.365 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.962 -15.225 -0.935 1.00 0.00 C ATOM 1610 C HIS A 101 -9.460 -16.339 -1.860 1.00 0.00 C ATOM 1611 O HIS A 101 -10.644 -16.588 -1.963 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.930 -14.042 -0.994 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.237 -14.431 -0.362 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.191 -15.182 -1.035 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -11.766 -14.180 0.881 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.234 -15.355 -0.202 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.024 -14.764 0.976 1.00 0.00 N ATOM 0 H HIS A 101 -7.584 -13.891 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.909 -15.602 0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.504 -13.184 -0.474 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.090 -13.741 -2.029 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -12.115 -15.538 -1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.280 -13.616 1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.129 -15.904 -0.455 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.567 -17.010 -2.534 1.00 0.00 N ATOM 1627 CA ARG A 102 -8.997 -18.105 -3.449 1.00 0.00 C ATOM 1628 C ARG A 102 -8.506 -19.448 -2.903 1.00 0.00 C ATOM 1629 O ARG A 102 -7.576 -19.440 -2.114 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.401 -17.874 -4.840 1.00 0.00 C ATOM 1631 CG ARG A 102 -9.010 -16.611 -5.454 1.00 0.00 C ATOM 1632 CD ARG A 102 -10.441 -16.897 -5.915 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.759 -16.043 -7.094 1.00 0.00 N ATOM 1634 CZ ARG A 102 -11.990 -15.946 -7.517 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -12.941 -16.608 -6.916 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -12.269 -15.191 -8.544 1.00 0.00 N ATOM 1637 OXT ARG A 102 -9.071 -20.461 -3.281 1.00 0.00 O ATOM 0 H ARG A 102 -7.561 -16.848 -2.491 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.085 -18.114 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.318 -17.771 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -8.599 -18.734 -5.480 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.008 -15.803 -4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.406 -16.278 -6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.548 -17.950 -6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.143 -16.696 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.015 -15.534 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.722 -17.201 -6.116 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.903 -16.532 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.525 -14.677 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.231 -15.115 -8.875 1.00 0.00 H new