USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 950 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 104 SER OG : rot 160:sc= 0.711 USER MOD Set 1.2: A 106 THR OG1 : rot -37:sc= 0.631 USER MOD Set 2.1: A 85 ASN : amide:sc= -6.11! C(o=-12!,f=-14!) USER MOD Set 2.2: A 97 MET CE :methyl 154:sc= -5.74! (180deg=-5.84!) USER MOD Set 3.1: A 74 SER OG : rot 180:sc= -1.18 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 59 ASN : amide:sc= -1.14! C(o=0.11!,f=-8.4!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0) USER MOD Set 5.1: A 30 HIS : no HD1:sc= -4.85 X(o=-7.8,f=-7.6) USER MOD Set 5.2: A 124 SER OG : rot 101:sc= -2.97 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.8!) USER MOD Single : A 11 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.1!) USER MOD Single : A 12 GLN : amide:sc= -0.0992 K(o=-0.099,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ -129:sc= -1.81! (180deg=-4.31!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 120:sc= -2.36! USER MOD Single : A 25 ASN : amide:sc= -0.759 K(o=-0.76,f=-3.7!) USER MOD Single : A 29 TYR OH : rot 90:sc= -5.01! USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0258) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -158:sc= -2.38 USER MOD Single : A 42 ASN :FLIP amide:sc= -1.47 F(o=-3!,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= -0.377 (180deg=-1.46!) USER MOD Single : A 49 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.9) USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.22 (180deg=0.588) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 64 SER OG : rot 180:sc= -0.136 USER MOD Single : A 73 ASN : amide:sc= -8.52! C(o=-8.5!,f=-11!) USER MOD Single : A 80 SER OG : rot -51:sc= 1.05 USER MOD Single : A 81 THR OG1 : rot -20:sc= -0.179 USER MOD Single : A 87 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3.4!) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.896 (180deg=-1.55) USER MOD Single : A 99 SER OG : rot 105:sc= 0.174 USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= -0.11 (180deg=-0.413) USER MOD Single : A 101 ASN : amide:sc= -6.15 K(o=-6.1,f=-16!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN :FLIP amide:sc= -0.11 F(o=-0.67,f=-0.11) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -7.8! C(o=-7.8!,f=-9.9!) USER MOD Single : A 117 SER OG : rot 57:sc= -0.265 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.677 F(o=-2.4,f=-0.68) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LYS A 3 -15.814 21.309 -0.816 1.00 0.00 N ATOM 33 CA LYS A 3 -15.352 20.145 -0.068 1.00 0.00 C ATOM 34 C LYS A 3 -15.423 18.887 -0.926 1.00 0.00 C ATOM 35 O LYS A 3 -15.836 17.826 -0.459 1.00 0.00 O ATOM 36 CB LYS A 3 -16.187 19.959 1.201 1.00 0.00 C ATOM 37 CG LYS A 3 -17.678 20.173 0.990 1.00 0.00 C ATOM 38 CD LYS A 3 -18.222 21.263 1.901 1.00 0.00 C ATOM 39 CE LYS A 3 -17.553 22.602 1.630 1.00 0.00 C ATOM 40 NZ LYS A 3 -18.254 23.366 0.561 1.00 0.00 N ATOM 0 HA LYS A 3 -14.313 20.315 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.025 18.953 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.834 20.654 1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.864 20.441 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.210 19.241 1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.298 21.357 1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.065 20.981 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.536 23.192 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.516 22.437 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.768 24.272 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.248 22.815 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.237 23.546 0.850 1.00 0.00 H new ATOM 54 N THR A 4 -15.016 19.012 -2.185 1.00 0.00 N ATOM 55 CA THR A 4 -15.035 17.884 -3.107 1.00 0.00 C ATOM 56 C THR A 4 -13.913 16.905 -2.788 1.00 0.00 C ATOM 57 O THR A 4 -14.137 15.701 -2.690 1.00 0.00 O ATOM 58 CB THR A 4 -14.904 18.371 -4.551 1.00 0.00 C ATOM 59 OG1 THR A 4 -15.956 19.261 -4.878 1.00 0.00 O ATOM 60 CG2 THR A 4 -14.919 17.247 -5.567 1.00 0.00 C ATOM 0 H THR A 4 -14.670 19.882 -2.589 1.00 0.00 H new ATOM 0 HA THR A 4 -15.989 17.370 -2.991 1.00 0.00 H new ATOM 0 HB THR A 4 -13.936 18.870 -4.600 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.853 19.562 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.822 17.662 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.087 16.570 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.858 16.699 -5.490 1.00 0.00 H new ATOM 68 N ASN A 5 -12.701 17.429 -2.631 1.00 0.00 N ATOM 69 CA ASN A 5 -11.540 16.595 -2.330 1.00 0.00 C ATOM 70 C ASN A 5 -11.841 15.606 -1.206 1.00 0.00 C ATOM 71 O ASN A 5 -11.371 14.470 -1.230 1.00 0.00 O ATOM 72 CB ASN A 5 -10.340 17.470 -1.961 1.00 0.00 C ATOM 73 CG ASN A 5 -9.224 17.373 -2.985 1.00 0.00 C ATOM 74 OD1 ASN A 5 -8.046 17.321 -2.634 1.00 0.00 O ATOM 75 ND2 ASN A 5 -9.594 17.346 -4.261 1.00 0.00 N ATOM 0 H ASN A 5 -12.497 18.425 -2.707 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.299 16.021 -3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.662 18.508 -1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.961 17.171 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.889 17.280 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.583 17.391 -4.506 1.00 0.00 H new ATOM 82 N LEU A 6 -12.635 16.036 -0.230 1.00 0.00 N ATOM 83 CA LEU A 6 -13.000 15.178 0.884 1.00 0.00 C ATOM 84 C LEU A 6 -14.185 14.306 0.511 1.00 0.00 C ATOM 85 O LEU A 6 -14.057 13.091 0.416 1.00 0.00 O ATOM 86 CB LEU A 6 -13.331 16.018 2.112 1.00 0.00 C ATOM 87 CG LEU A 6 -12.117 16.440 2.939 1.00 0.00 C ATOM 88 CD1 LEU A 6 -11.977 17.954 2.948 1.00 0.00 C ATOM 89 CD2 LEU A 6 -12.218 15.891 4.356 1.00 0.00 C ATOM 0 H LEU A 6 -13.036 16.973 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.152 14.534 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -13.865 16.913 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -14.011 15.453 2.750 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.222 16.022 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.107 18.235 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.851 18.314 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.872 18.400 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.345 16.202 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -13.120 16.275 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.261 14.802 4.322 1.00 0.00 H new ATOM 101 N GLY A 7 -15.334 14.933 0.281 1.00 0.00 N ATOM 102 CA GLY A 7 -16.522 14.187 -0.100 1.00 0.00 C ATOM 103 C GLY A 7 -16.258 13.224 -1.242 1.00 0.00 C ATOM 104 O GLY A 7 -16.989 12.252 -1.427 1.00 0.00 O ATOM 0 H GLY A 7 -15.465 15.942 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.891 13.632 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.308 14.884 -0.390 1.00 0.00 H new ATOM 108 N GLU A 8 -15.209 13.501 -2.011 1.00 0.00 N ATOM 109 CA GLU A 8 -14.839 12.664 -3.141 1.00 0.00 C ATOM 110 C GLU A 8 -13.780 11.636 -2.743 1.00 0.00 C ATOM 111 O GLU A 8 -13.602 10.628 -3.427 1.00 0.00 O ATOM 112 CB GLU A 8 -14.311 13.538 -4.282 1.00 0.00 C ATOM 113 CG GLU A 8 -14.329 12.860 -5.641 1.00 0.00 C ATOM 114 CD GLU A 8 -15.674 12.244 -5.972 1.00 0.00 C ATOM 115 OE1 GLU A 8 -16.625 13.006 -6.251 1.00 0.00 O ATOM 116 OE2 GLU A 8 -15.778 11.000 -5.950 1.00 0.00 O ATOM 0 H GLU A 8 -14.598 14.305 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.727 12.126 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.908 14.449 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.289 13.839 -4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.069 13.589 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.563 12.085 -5.665 1.00 0.00 H new ATOM 123 N LEU A 9 -13.081 11.887 -1.636 1.00 0.00 N ATOM 124 CA LEU A 9 -12.051 10.968 -1.169 1.00 0.00 C ATOM 125 C LEU A 9 -12.582 10.110 -0.031 1.00 0.00 C ATOM 126 O LEU A 9 -12.192 8.954 0.130 1.00 0.00 O ATOM 127 CB LEU A 9 -10.810 11.737 -0.714 1.00 0.00 C ATOM 128 CG LEU A 9 -9.909 12.246 -1.840 1.00 0.00 C ATOM 129 CD1 LEU A 9 -8.794 13.118 -1.278 1.00 0.00 C ATOM 130 CD2 LEU A 9 -9.330 11.082 -2.632 1.00 0.00 C ATOM 0 H LEU A 9 -13.210 12.713 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.772 10.317 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.130 12.589 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.221 11.091 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.513 12.852 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.163 13.471 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.227 13.972 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.193 12.535 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.692 11.465 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.741 10.448 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.141 10.498 -3.067 1.00 0.00 H new ATOM 142 N ILE A 10 -13.473 10.694 0.761 1.00 0.00 N ATOM 143 CA ILE A 10 -14.061 10.001 1.891 1.00 0.00 C ATOM 144 C ILE A 10 -15.110 8.994 1.439 1.00 0.00 C ATOM 145 O ILE A 10 -15.183 7.888 1.974 1.00 0.00 O ATOM 146 CB ILE A 10 -14.695 10.981 2.892 1.00 0.00 C ATOM 147 CG1 ILE A 10 -15.903 11.722 2.292 1.00 0.00 C ATOM 148 CG2 ILE A 10 -13.676 11.975 3.378 1.00 0.00 C ATOM 149 CD1 ILE A 10 -16.413 12.864 3.163 1.00 0.00 C ATOM 0 H ILE A 10 -13.803 11.651 0.637 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.248 9.471 2.388 1.00 0.00 H new ATOM 0 HB ILE A 10 -15.053 10.389 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.627 12.117 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.712 11.010 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.144 12.660 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.859 11.447 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -13.285 12.539 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -17.265 13.340 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -16.721 12.473 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.619 13.597 3.303 1.00 0.00 H new ATOM 161 N ASN A 11 -15.910 9.379 0.446 1.00 0.00 N ATOM 162 CA ASN A 11 -16.952 8.502 -0.091 1.00 0.00 C ATOM 163 C ASN A 11 -16.428 7.077 -0.210 1.00 0.00 C ATOM 164 O ASN A 11 -17.062 6.118 0.228 1.00 0.00 O ATOM 165 CB ASN A 11 -17.414 9.025 -1.457 1.00 0.00 C ATOM 166 CG ASN A 11 -16.701 8.379 -2.634 1.00 0.00 C ATOM 167 OD1 ASN A 11 -16.924 7.210 -2.946 1.00 0.00 O ATOM 168 ND2 ASN A 11 -15.837 9.146 -3.291 1.00 0.00 N ATOM 0 H ASN A 11 -15.857 10.293 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.804 8.497 0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -18.486 8.856 -1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.256 10.103 -1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.327 8.770 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -15.684 10.110 -2.996 1.00 0.00 H new ATOM 175 N GLN A 12 -15.250 6.971 -0.798 1.00 0.00 N ATOM 176 CA GLN A 12 -14.591 5.684 -0.981 1.00 0.00 C ATOM 177 C GLN A 12 -13.821 5.299 0.279 1.00 0.00 C ATOM 178 O GLN A 12 -13.652 4.117 0.580 1.00 0.00 O ATOM 179 CB GLN A 12 -13.643 5.736 -2.180 1.00 0.00 C ATOM 180 CG GLN A 12 -12.478 6.692 -1.993 1.00 0.00 C ATOM 181 CD GLN A 12 -11.805 7.057 -3.301 1.00 0.00 C ATOM 182 OE1 GLN A 12 -12.127 6.507 -4.354 1.00 0.00 O ATOM 183 NE2 GLN A 12 -10.863 7.991 -3.240 1.00 0.00 N ATOM 0 H GLN A 12 -14.724 7.766 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.354 4.929 -1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.254 4.735 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.206 6.031 -3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.833 7.600 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.745 6.239 -1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.628 8.421 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.374 8.279 -4.088 1.00 0.00 H new ATOM 192 N GLY A 13 -13.358 6.310 1.013 1.00 0.00 N ATOM 193 CA GLY A 13 -12.614 6.064 2.236 1.00 0.00 C ATOM 194 C GLY A 13 -13.390 5.217 3.225 1.00 0.00 C ATOM 195 O GLY A 13 -13.009 4.082 3.508 1.00 0.00 O ATOM 0 H GLY A 13 -13.486 7.295 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.676 5.566 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.358 7.017 2.700 1.00 0.00 H new ATOM 199 N LYS A 14 -14.487 5.760 3.750 1.00 0.00 N ATOM 200 CA LYS A 14 -15.313 5.019 4.705 1.00 0.00 C ATOM 201 C LYS A 14 -15.722 3.677 4.106 1.00 0.00 C ATOM 202 O LYS A 14 -15.932 2.701 4.828 1.00 0.00 O ATOM 203 CB LYS A 14 -16.562 5.810 5.136 1.00 0.00 C ATOM 204 CG LYS A 14 -16.913 6.991 4.245 1.00 0.00 C ATOM 205 CD LYS A 14 -16.255 8.274 4.740 1.00 0.00 C ATOM 206 CE LYS A 14 -16.931 9.509 4.163 1.00 0.00 C ATOM 207 NZ LYS A 14 -18.342 9.643 4.622 1.00 0.00 N ATOM 0 H LYS A 14 -14.823 6.699 3.535 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.711 4.855 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -17.413 5.129 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.411 6.173 6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.593 6.786 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.995 7.121 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.299 8.310 5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.201 8.273 4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.370 10.397 4.453 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.908 9.459 3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.963 9.784 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.627 8.779 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.423 10.459 5.261 1.00 0.00 H new ATOM 221 N SER A 15 -15.798 3.627 2.777 1.00 0.00 N ATOM 222 CA SER A 15 -16.140 2.397 2.080 1.00 0.00 C ATOM 223 C SER A 15 -14.963 1.436 2.162 1.00 0.00 C ATOM 224 O SER A 15 -15.135 0.218 2.225 1.00 0.00 O ATOM 225 CB SER A 15 -16.489 2.684 0.619 1.00 0.00 C ATOM 226 OG SER A 15 -16.928 1.510 -0.043 1.00 0.00 O ATOM 0 H SER A 15 -15.627 4.425 2.166 1.00 0.00 H new ATOM 0 HA SER A 15 -17.013 1.947 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.268 3.445 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.616 3.089 0.107 1.00 0.00 H new ATOM 0 HG SER A 15 -17.146 1.722 -0.975 1.00 0.00 H new ATOM 232 N LEU A 16 -13.764 2.011 2.193 1.00 0.00 N ATOM 233 CA LEU A 16 -12.541 1.243 2.305 1.00 0.00 C ATOM 234 C LEU A 16 -12.462 0.643 3.700 1.00 0.00 C ATOM 235 O LEU A 16 -12.382 -0.574 3.871 1.00 0.00 O ATOM 236 CB LEU A 16 -11.332 2.152 2.059 1.00 0.00 C ATOM 237 CG LEU A 16 -10.538 1.873 0.782 1.00 0.00 C ATOM 238 CD1 LEU A 16 -9.610 3.040 0.472 1.00 0.00 C ATOM 239 CD2 LEU A 16 -9.748 0.580 0.919 1.00 0.00 C ATOM 0 H LEU A 16 -13.620 3.019 2.141 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.537 0.446 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.678 3.185 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.657 2.065 2.910 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.238 1.760 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.051 2.828 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.199 3.947 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.915 3.182 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.189 0.396 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.055 0.664 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.434 -0.248 1.098 1.00 0.00 H new ATOM 251 N LEU A 17 -12.504 1.524 4.696 1.00 0.00 N ATOM 252 CA LEU A 17 -12.459 1.127 6.094 1.00 0.00 C ATOM 253 C LEU A 17 -13.569 0.122 6.401 1.00 0.00 C ATOM 254 O LEU A 17 -13.468 -0.658 7.346 1.00 0.00 O ATOM 255 CB LEU A 17 -12.599 2.374 6.979 1.00 0.00 C ATOM 256 CG LEU A 17 -11.324 2.828 7.708 1.00 0.00 C ATOM 257 CD1 LEU A 17 -11.171 2.070 9.012 1.00 0.00 C ATOM 258 CD2 LEU A 17 -10.085 2.646 6.834 1.00 0.00 C ATOM 0 H LEU A 17 -12.570 2.532 4.553 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.503 0.645 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.952 3.198 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.371 2.182 7.724 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.420 3.892 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.265 2.399 9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.034 2.263 9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.104 1.002 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.202 2.977 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.976 1.594 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.191 3.237 5.925 1.00 0.00 H new ATOM 270 N ASP A 18 -14.630 0.151 5.596 1.00 0.00 N ATOM 271 CA ASP A 18 -15.758 -0.757 5.787 1.00 0.00 C ATOM 272 C ASP A 18 -15.612 -2.037 4.959 1.00 0.00 C ATOM 273 O ASP A 18 -16.311 -3.020 5.207 1.00 0.00 O ATOM 274 CB ASP A 18 -17.066 -0.052 5.423 1.00 0.00 C ATOM 275 CG ASP A 18 -17.527 0.906 6.504 1.00 0.00 C ATOM 276 OD1 ASP A 18 -16.674 1.366 7.293 1.00 0.00 O ATOM 277 OD2 ASP A 18 -18.741 1.196 6.563 1.00 0.00 O ATOM 0 H ASP A 18 -14.731 0.791 4.808 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.773 -1.042 6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -16.933 0.495 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -17.841 -0.798 5.248 1.00 0.00 H new ATOM 282 N GLU A 19 -14.713 -2.027 3.975 1.00 0.00 N ATOM 283 CA GLU A 19 -14.504 -3.199 3.125 1.00 0.00 C ATOM 284 C GLU A 19 -13.237 -3.948 3.522 1.00 0.00 C ATOM 285 O GLU A 19 -13.296 -5.078 4.007 1.00 0.00 O ATOM 286 CB GLU A 19 -14.423 -2.779 1.656 1.00 0.00 C ATOM 287 CG GLU A 19 -14.251 -3.947 0.698 1.00 0.00 C ATOM 288 CD GLU A 19 -14.727 -3.625 -0.705 1.00 0.00 C ATOM 289 OE1 GLU A 19 -15.930 -3.332 -0.871 1.00 0.00 O ATOM 290 OE2 GLU A 19 -13.897 -3.665 -1.638 1.00 0.00 O ATOM 0 H GLU A 19 -14.122 -1.227 3.748 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.353 -3.869 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.329 -2.234 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.588 -2.090 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.200 -4.233 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.803 -4.807 1.077 1.00 0.00 H new ATOM 297 N SER A 20 -12.090 -3.306 3.323 1.00 0.00 N ATOM 298 CA SER A 20 -10.804 -3.896 3.669 1.00 0.00 C ATOM 299 C SER A 20 -10.775 -4.249 5.139 1.00 0.00 C ATOM 300 O SER A 20 -10.707 -3.371 6.000 1.00 0.00 O ATOM 301 CB SER A 20 -9.683 -2.912 3.383 1.00 0.00 C ATOM 302 OG SER A 20 -10.102 -1.617 3.730 1.00 0.00 O ATOM 0 H SER A 20 -12.027 -2.371 2.921 1.00 0.00 H new ATOM 0 HA SER A 20 -10.666 -4.796 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.793 -3.183 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.412 -2.948 2.328 1.00 0.00 H new ATOM 0 HG SER A 20 -9.504 -1.252 4.415 1.00 0.00 H new ATOM 308 N VAL A 21 -10.835 -5.528 5.422 1.00 0.00 N ATOM 309 CA VAL A 21 -10.823 -5.992 6.790 1.00 0.00 C ATOM 310 C VAL A 21 -9.461 -6.528 7.173 1.00 0.00 C ATOM 311 O VAL A 21 -8.772 -7.140 6.366 1.00 0.00 O ATOM 312 CB VAL A 21 -11.882 -7.082 7.001 1.00 0.00 C ATOM 313 CG1 VAL A 21 -11.792 -8.132 5.906 1.00 0.00 C ATOM 314 CG2 VAL A 21 -11.757 -7.716 8.381 1.00 0.00 C ATOM 0 H VAL A 21 -10.893 -6.268 4.722 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.054 -5.139 7.428 1.00 0.00 H new ATOM 0 HB VAL A 21 -12.865 -6.613 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.551 -8.897 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.957 -7.662 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.804 -8.591 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.521 -8.484 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.770 -8.167 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.890 -6.951 9.146 1.00 0.00 H new ATOM 324 N GLU A 22 -9.083 -6.299 8.414 1.00 0.00 N ATOM 325 CA GLU A 22 -7.797 -6.771 8.903 1.00 0.00 C ATOM 326 C GLU A 22 -7.863 -8.276 9.160 1.00 0.00 C ATOM 327 O GLU A 22 -8.527 -8.726 10.094 1.00 0.00 O ATOM 328 CB GLU A 22 -7.429 -6.048 10.198 1.00 0.00 C ATOM 329 CG GLU A 22 -8.528 -6.079 11.248 1.00 0.00 C ATOM 330 CD GLU A 22 -8.136 -6.866 12.484 1.00 0.00 C ATOM 331 OE1 GLU A 22 -6.925 -6.942 12.780 1.00 0.00 O ATOM 332 OE2 GLU A 22 -9.040 -7.405 13.156 1.00 0.00 O ATOM 0 H GLU A 22 -9.641 -5.793 9.101 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.036 -6.564 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.529 -6.501 10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.187 -5.010 9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.778 -5.058 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.427 -6.516 10.814 1.00 0.00 H new ATOM 339 N GLY A 23 -7.179 -9.051 8.320 1.00 0.00 N ATOM 340 CA GLY A 23 -7.183 -10.495 8.469 1.00 0.00 C ATOM 341 C GLY A 23 -5.788 -11.091 8.500 1.00 0.00 C ATOM 342 O GLY A 23 -5.191 -11.227 9.568 1.00 0.00 O ATOM 0 H GLY A 23 -6.622 -8.703 7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.705 -10.759 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.743 -10.938 7.646 1.00 0.00 H new ATOM 346 N PHE A 24 -5.267 -11.456 7.327 1.00 0.00 N ATOM 347 CA PHE A 24 -3.932 -12.049 7.234 1.00 0.00 C ATOM 348 C PHE A 24 -3.661 -12.591 5.831 1.00 0.00 C ATOM 349 O PHE A 24 -3.125 -13.689 5.674 1.00 0.00 O ATOM 350 CB PHE A 24 -3.773 -13.177 8.261 1.00 0.00 C ATOM 351 CG PHE A 24 -4.999 -14.033 8.412 1.00 0.00 C ATOM 352 CD1 PHE A 24 -5.542 -14.687 7.318 1.00 0.00 C ATOM 353 CD2 PHE A 24 -5.607 -14.184 9.649 1.00 0.00 C ATOM 354 CE1 PHE A 24 -6.670 -15.476 7.454 1.00 0.00 C ATOM 355 CE2 PHE A 24 -6.734 -14.970 9.791 1.00 0.00 C ATOM 356 CZ PHE A 24 -7.266 -15.617 8.692 1.00 0.00 C ATOM 0 H PHE A 24 -5.746 -11.352 6.433 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.208 -11.263 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.934 -13.808 7.968 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.522 -12.743 9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.079 -14.580 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.195 -13.681 10.511 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.084 -15.981 6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.199 -15.079 10.760 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.147 -16.232 8.801 1.00 0.00 H new ATOM 366 N ASN A 25 -4.027 -11.817 4.813 1.00 0.00 N ATOM 367 CA ASN A 25 -3.817 -12.225 3.424 1.00 0.00 C ATOM 368 C ASN A 25 -4.435 -11.214 2.465 1.00 0.00 C ATOM 369 O ASN A 25 -5.092 -10.266 2.890 1.00 0.00 O ATOM 370 CB ASN A 25 -4.418 -13.612 3.175 1.00 0.00 C ATOM 371 CG ASN A 25 -5.822 -13.742 3.733 1.00 0.00 C ATOM 372 OD1 ASN A 25 -6.389 -12.780 4.251 1.00 0.00 O ATOM 373 ND2 ASN A 25 -6.389 -14.938 3.632 1.00 0.00 N ATOM 0 H ASN A 25 -4.470 -10.905 4.922 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.743 -12.267 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.436 -13.810 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.778 -14.369 3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.332 -15.087 3.992 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.882 -15.708 3.195 1.00 0.00 H new ATOM 380 N VAL A 26 -4.226 -11.421 1.165 1.00 0.00 N ATOM 381 CA VAL A 26 -4.773 -10.520 0.155 1.00 0.00 C ATOM 382 C VAL A 26 -6.250 -10.248 0.415 1.00 0.00 C ATOM 383 O VAL A 26 -7.035 -11.174 0.627 1.00 0.00 O ATOM 384 CB VAL A 26 -4.602 -11.086 -1.270 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.358 -12.397 -1.424 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.062 -10.068 -2.305 1.00 0.00 C ATOM 0 H VAL A 26 -3.685 -12.200 0.790 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.213 -9.587 0.226 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.544 -11.288 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.223 -12.778 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.974 -13.124 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.419 -12.229 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.935 -10.483 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.113 -9.832 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.467 -9.159 -2.211 1.00 0.00 H new ATOM 396 N GLY A 27 -6.621 -8.974 0.415 1.00 0.00 N ATOM 397 CA GLY A 27 -7.999 -8.607 0.672 1.00 0.00 C ATOM 398 C GLY A 27 -8.224 -8.227 2.124 1.00 0.00 C ATOM 399 O GLY A 27 -9.231 -7.606 2.462 1.00 0.00 O ATOM 0 H GLY A 27 -5.993 -8.189 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.277 -7.771 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.651 -9.440 0.410 1.00 0.00 H new ATOM 403 N GLU A 28 -7.275 -8.596 2.982 1.00 0.00 N ATOM 404 CA GLU A 28 -7.358 -8.289 4.399 1.00 0.00 C ATOM 405 C GLU A 28 -5.990 -7.891 4.926 1.00 0.00 C ATOM 406 O GLU A 28 -4.984 -8.497 4.571 1.00 0.00 O ATOM 407 CB GLU A 28 -7.903 -9.489 5.175 1.00 0.00 C ATOM 408 CG GLU A 28 -9.177 -10.069 4.581 1.00 0.00 C ATOM 409 CD GLU A 28 -9.941 -10.930 5.568 1.00 0.00 C ATOM 410 OE1 GLU A 28 -9.301 -11.741 6.269 1.00 0.00 O ATOM 411 OE2 GLU A 28 -11.181 -10.794 5.639 1.00 0.00 O ATOM 0 H GLU A 28 -6.437 -9.111 2.713 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.043 -7.453 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.140 -10.267 5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.096 -9.188 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.818 -9.256 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.926 -10.665 3.703 1.00 0.00 H new ATOM 418 N TYR A 29 -5.951 -6.860 5.757 1.00 0.00 N ATOM 419 CA TYR A 29 -4.679 -6.380 6.298 1.00 0.00 C ATOM 420 C TYR A 29 -4.435 -6.889 7.712 1.00 0.00 C ATOM 421 O TYR A 29 -5.265 -7.587 8.284 1.00 0.00 O ATOM 422 CB TYR A 29 -4.632 -4.854 6.264 1.00 0.00 C ATOM 423 CG TYR A 29 -5.508 -4.198 7.295 1.00 0.00 C ATOM 424 CD1 TYR A 29 -6.853 -3.957 7.044 1.00 0.00 C ATOM 425 CD2 TYR A 29 -4.985 -3.818 8.522 1.00 0.00 C ATOM 426 CE1 TYR A 29 -7.653 -3.354 7.989 1.00 0.00 C ATOM 427 CE2 TYR A 29 -5.781 -3.214 9.471 1.00 0.00 C ATOM 428 CZ TYR A 29 -7.112 -2.985 9.200 1.00 0.00 C ATOM 429 OH TYR A 29 -7.900 -2.387 10.149 1.00 0.00 O ATOM 0 H TYR A 29 -6.772 -6.342 6.071 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.883 -6.776 5.668 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.603 -4.528 6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.933 -4.512 5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.277 -4.247 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.942 -3.998 8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.697 -3.172 7.782 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.363 -2.921 10.423 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.300 -3.074 10.722 1.00 0.00 H new ATOM 439 N HIS A 30 -3.280 -6.548 8.271 1.00 0.00 N ATOM 440 CA HIS A 30 -2.944 -6.997 9.622 1.00 0.00 C ATOM 441 C HIS A 30 -2.815 -5.834 10.603 1.00 0.00 C ATOM 442 O HIS A 30 -1.713 -5.473 11.012 1.00 0.00 O ATOM 443 CB HIS A 30 -1.655 -7.812 9.616 1.00 0.00 C ATOM 444 CG HIS A 30 -1.641 -8.910 10.634 1.00 0.00 C ATOM 445 ND1 HIS A 30 -0.631 -9.068 11.559 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.527 -9.906 10.874 1.00 0.00 C ATOM 447 CE1 HIS A 30 -0.895 -10.114 12.323 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.039 -10.639 11.928 1.00 0.00 N ATOM 0 H HIS A 30 -2.569 -5.972 7.821 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.768 -7.626 9.958 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.511 -8.243 8.625 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.812 -7.146 9.799 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.446 -10.090 10.337 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.279 -10.477 13.133 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.489 -11.457 12.339 1.00 0.00 H new ATOM 457 N LYS A 31 -3.952 -5.271 10.995 1.00 0.00 N ATOM 458 CA LYS A 31 -3.979 -4.165 11.952 1.00 0.00 C ATOM 459 C LYS A 31 -3.109 -2.996 11.495 1.00 0.00 C ATOM 460 O LYS A 31 -2.233 -3.150 10.644 1.00 0.00 O ATOM 461 CB LYS A 31 -3.512 -4.650 13.325 1.00 0.00 C ATOM 462 CG LYS A 31 -4.644 -5.137 14.216 1.00 0.00 C ATOM 463 CD LYS A 31 -4.211 -6.315 15.072 1.00 0.00 C ATOM 464 CE LYS A 31 -4.962 -6.350 16.393 1.00 0.00 C ATOM 465 NZ LYS A 31 -6.429 -6.508 16.194 1.00 0.00 N ATOM 0 H LYS A 31 -4.872 -5.562 10.665 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.008 -3.811 12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.793 -5.458 13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.988 -3.838 13.829 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.979 -4.323 14.858 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.495 -5.427 13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.385 -7.244 14.529 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.140 -6.253 15.263 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.588 -7.173 17.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.768 -5.431 16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.893 -6.629 17.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.809 -5.662 15.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.611 -7.344 15.602 1.00 0.00 H new ATOM 479 N GLY A 32 -3.353 -1.826 12.080 1.00 0.00 N ATOM 480 CA GLY A 32 -2.582 -0.644 11.740 1.00 0.00 C ATOM 481 C GLY A 32 -3.097 0.086 10.512 1.00 0.00 C ATOM 482 O GLY A 32 -2.681 1.213 10.241 1.00 0.00 O ATOM 0 H GLY A 32 -4.074 -1.676 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.589 0.040 12.588 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.545 -0.933 11.572 1.00 0.00 H new ATOM 486 N ALA A 33 -3.991 -0.548 9.760 1.00 0.00 N ATOM 487 CA ALA A 33 -4.535 0.065 8.555 1.00 0.00 C ATOM 488 C ALA A 33 -5.778 0.909 8.854 1.00 0.00 C ATOM 489 O ALA A 33 -5.780 2.119 8.628 1.00 0.00 O ATOM 490 CB ALA A 33 -4.839 -1.014 7.524 1.00 0.00 C ATOM 0 H ALA A 33 -4.352 -1.480 9.962 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.785 0.745 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.246 -0.553 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.922 -1.548 7.275 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.567 -1.714 7.934 1.00 0.00 H new ATOM 496 N LYS A 34 -6.838 0.257 9.337 1.00 0.00 N ATOM 497 CA LYS A 34 -8.107 0.924 9.644 1.00 0.00 C ATOM 498 C LYS A 34 -7.911 2.352 10.165 1.00 0.00 C ATOM 499 O LYS A 34 -8.242 3.320 9.481 1.00 0.00 O ATOM 500 CB LYS A 34 -8.889 0.115 10.690 1.00 0.00 C ATOM 501 CG LYS A 34 -10.032 -0.710 10.109 1.00 0.00 C ATOM 502 CD LYS A 34 -11.359 -0.386 10.780 1.00 0.00 C ATOM 503 CE LYS A 34 -12.536 -0.701 9.869 1.00 0.00 C ATOM 504 NZ LYS A 34 -13.655 -1.347 10.609 1.00 0.00 N ATOM 0 H LYS A 34 -6.842 -0.745 9.526 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.665 0.981 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.200 -0.552 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.292 0.799 11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.110 -0.520 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.813 -1.771 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.450 -0.957 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.382 0.669 11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.891 0.219 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.206 -1.358 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.437 -1.545 9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.323 -2.238 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.987 -0.710 11.361 1.00 0.00 H new ATOM 518 N ASP A 35 -7.384 2.465 11.381 1.00 0.00 N ATOM 519 CA ASP A 35 -7.154 3.760 12.028 1.00 0.00 C ATOM 520 C ASP A 35 -6.763 4.858 11.041 1.00 0.00 C ATOM 521 O ASP A 35 -7.526 5.785 10.814 1.00 0.00 O ATOM 522 CB ASP A 35 -6.065 3.627 13.086 1.00 0.00 C ATOM 523 CG ASP A 35 -6.367 2.539 14.097 1.00 0.00 C ATOM 524 OD1 ASP A 35 -6.488 1.365 13.688 1.00 0.00 O ATOM 525 OD2 ASP A 35 -6.484 2.860 15.298 1.00 0.00 O ATOM 0 H ASP A 35 -7.104 1.665 11.948 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.099 4.053 12.485 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.114 3.412 12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.949 4.579 13.605 1.00 0.00 H new ATOM 530 N GLY A 36 -5.565 4.751 10.474 1.00 0.00 N ATOM 531 CA GLY A 36 -5.074 5.746 9.527 1.00 0.00 C ATOM 532 C GLY A 36 -6.172 6.375 8.694 1.00 0.00 C ATOM 533 O GLY A 36 -6.695 7.433 9.041 1.00 0.00 O ATOM 0 H GLY A 36 -4.916 3.985 10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.549 6.529 10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.347 5.278 8.863 1.00 0.00 H new ATOM 537 N LEU A 37 -6.526 5.723 7.593 1.00 0.00 N ATOM 538 CA LEU A 37 -7.566 6.221 6.710 1.00 0.00 C ATOM 539 C LEU A 37 -8.823 6.623 7.488 1.00 0.00 C ATOM 540 O LEU A 37 -9.400 7.676 7.243 1.00 0.00 O ATOM 541 CB LEU A 37 -7.896 5.155 5.669 1.00 0.00 C ATOM 542 CG LEU A 37 -9.298 5.225 5.070 1.00 0.00 C ATOM 543 CD1 LEU A 37 -9.507 6.552 4.369 1.00 0.00 C ATOM 544 CD2 LEU A 37 -9.503 4.064 4.118 1.00 0.00 C ATOM 0 H LEU A 37 -6.104 4.844 7.292 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.197 7.117 6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.171 5.228 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.765 4.174 6.126 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.036 5.152 5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.511 6.586 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.386 7.365 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.774 6.661 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.505 4.116 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.765 4.115 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.387 3.125 4.659 1.00 0.00 H new ATOM 556 N THR A 38 -9.248 5.787 8.427 1.00 0.00 N ATOM 557 CA THR A 38 -10.438 6.098 9.211 1.00 0.00 C ATOM 558 C THR A 38 -10.233 7.388 9.997 1.00 0.00 C ATOM 559 O THR A 38 -11.079 8.275 9.991 1.00 0.00 O ATOM 560 CB THR A 38 -10.781 4.930 10.141 1.00 0.00 C ATOM 561 OG1 THR A 38 -12.119 4.512 9.938 1.00 0.00 O ATOM 562 CG2 THR A 38 -10.624 5.229 11.614 1.00 0.00 C ATOM 0 H THR A 38 -8.796 4.903 8.662 1.00 0.00 H new ATOM 0 HA THR A 38 -11.279 6.248 8.534 1.00 0.00 H new ATOM 0 HB THR A 38 -10.061 4.154 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.437 4.035 10.733 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.888 4.345 12.195 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.590 5.503 11.821 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.280 6.054 11.890 1.00 0.00 H new ATOM 570 N VAL A 39 -9.094 7.474 10.663 1.00 0.00 N ATOM 571 CA VAL A 39 -8.739 8.641 11.453 1.00 0.00 C ATOM 572 C VAL A 39 -8.898 9.906 10.630 1.00 0.00 C ATOM 573 O VAL A 39 -9.374 10.928 11.126 1.00 0.00 O ATOM 574 CB VAL A 39 -7.297 8.500 11.974 1.00 0.00 C ATOM 575 CG1 VAL A 39 -6.737 9.811 12.498 1.00 0.00 C ATOM 576 CG2 VAL A 39 -7.258 7.429 13.046 1.00 0.00 C ATOM 0 H VAL A 39 -8.389 6.737 10.671 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.411 8.711 12.308 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.662 8.209 11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.718 9.655 12.853 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.733 10.551 11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.357 10.169 13.320 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.239 7.324 13.419 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.918 7.711 13.867 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.589 6.480 12.624 1.00 0.00 H new ATOM 586 N GLU A 40 -8.544 9.819 9.356 1.00 0.00 N ATOM 587 CA GLU A 40 -8.706 10.953 8.468 1.00 0.00 C ATOM 588 C GLU A 40 -10.153 11.006 8.008 1.00 0.00 C ATOM 589 O GLU A 40 -10.678 12.077 7.744 1.00 0.00 O ATOM 590 CB GLU A 40 -7.748 10.914 7.274 1.00 0.00 C ATOM 591 CG GLU A 40 -7.464 9.527 6.737 1.00 0.00 C ATOM 592 CD GLU A 40 -8.276 9.210 5.499 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.493 9.486 5.503 1.00 0.00 O ATOM 594 OE2 GLU A 40 -7.696 8.684 4.527 1.00 0.00 O ATOM 0 H GLU A 40 -8.148 8.985 8.921 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.454 11.859 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.165 11.522 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.805 11.376 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.403 9.441 6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.682 8.790 7.510 1.00 0.00 H new ATOM 601 N ILE A 41 -10.816 9.842 7.973 1.00 0.00 N ATOM 602 CA ILE A 41 -12.228 9.790 7.611 1.00 0.00 C ATOM 603 C ILE A 41 -13.014 10.483 8.709 1.00 0.00 C ATOM 604 O ILE A 41 -13.650 11.509 8.477 1.00 0.00 O ATOM 605 CB ILE A 41 -12.756 8.344 7.442 1.00 0.00 C ATOM 606 CG1 ILE A 41 -12.165 7.691 6.194 1.00 0.00 C ATOM 607 CG2 ILE A 41 -14.279 8.332 7.363 1.00 0.00 C ATOM 608 CD1 ILE A 41 -12.395 8.482 4.928 1.00 0.00 C ATOM 0 H ILE A 41 -10.398 8.937 8.189 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.350 10.284 6.647 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.445 7.771 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.093 7.557 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.598 6.698 6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.629 7.307 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.694 8.754 8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.604 8.927 6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.948 7.957 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.466 8.595 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.938 9.467 5.026 1.00 0.00 H new ATOM 620 N ASN A 42 -12.927 9.935 9.926 1.00 0.00 N ATOM 621 CA ASN A 42 -13.596 10.533 11.072 1.00 0.00 C ATOM 622 C ASN A 42 -13.302 12.029 11.099 1.00 0.00 C ATOM 623 O ASN A 42 -14.184 12.848 11.352 1.00 0.00 O ATOM 624 CB ASN A 42 -13.106 9.887 12.370 1.00 0.00 C ATOM 625 CG ASN A 42 -13.143 8.373 12.320 1.00 0.00 C ATOM 626 OD1 ASN A 42 -12.233 7.739 13.051 1.00 0.00 O flip ATOM 627 ND2 ASN A 42 -13.977 7.782 11.634 1.00 0.00 N flip ATOM 0 H ASN A 42 -12.403 9.085 10.136 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.670 10.369 10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.086 10.215 12.572 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.723 10.234 13.199 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.657 8.312 11.089 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.988 6.762 11.611 1.00 0.00 H new ATOM 634 N LYS A 43 -12.042 12.367 10.825 1.00 0.00 N ATOM 635 CA LYS A 43 -11.606 13.763 10.805 1.00 0.00 C ATOM 636 C LYS A 43 -11.960 14.461 9.483 1.00 0.00 C ATOM 637 O LYS A 43 -12.021 15.689 9.423 1.00 0.00 O ATOM 638 CB LYS A 43 -10.096 13.842 11.038 1.00 0.00 C ATOM 639 CG LYS A 43 -9.638 15.172 11.613 1.00 0.00 C ATOM 640 CD LYS A 43 -8.269 15.566 11.083 1.00 0.00 C ATOM 641 CE LYS A 43 -8.382 16.559 9.937 1.00 0.00 C ATOM 642 NZ LYS A 43 -9.243 17.721 10.291 1.00 0.00 N ATOM 0 H LYS A 43 -11.306 11.693 10.614 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.135 14.280 11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.799 13.041 11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.581 13.668 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.363 15.947 11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.603 15.107 12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.678 16.003 11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.738 14.676 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.388 16.914 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.792 16.057 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.880 18.577 9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.217 17.540 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.234 17.859 11.322 1.00 0.00 H new ATOM 656 N ALA A 44 -12.177 13.680 8.423 1.00 0.00 N ATOM 657 CA ALA A 44 -12.509 14.238 7.109 1.00 0.00 C ATOM 658 C ALA A 44 -13.979 14.612 7.020 1.00 0.00 C ATOM 659 O ALA A 44 -14.320 15.772 6.799 1.00 0.00 O ATOM 660 CB ALA A 44 -12.165 13.255 6.000 1.00 0.00 C ATOM 0 H ALA A 44 -12.129 12.661 8.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.913 15.142 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.420 13.692 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.098 13.034 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.730 12.334 6.142 1.00 0.00 H new ATOM 666 N GLU A 45 -14.845 13.620 7.184 1.00 0.00 N ATOM 667 CA GLU A 45 -16.288 13.839 7.118 1.00 0.00 C ATOM 668 C GLU A 45 -16.691 15.063 7.931 1.00 0.00 C ATOM 669 O GLU A 45 -17.497 15.880 7.485 1.00 0.00 O ATOM 670 CB GLU A 45 -17.028 12.608 7.627 1.00 0.00 C ATOM 671 CG GLU A 45 -16.507 11.310 7.041 1.00 0.00 C ATOM 672 CD GLU A 45 -17.462 10.154 7.272 1.00 0.00 C ATOM 673 OE1 GLU A 45 -18.675 10.329 7.031 1.00 0.00 O ATOM 674 OE2 GLU A 45 -16.998 9.079 7.705 1.00 0.00 O ATOM 0 H GLU A 45 -14.574 12.653 7.364 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.559 14.015 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.946 12.567 8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.088 12.706 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.344 11.436 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.540 11.075 7.485 1.00 0.00 H new ATOM 681 N GLU A 46 -16.112 15.193 9.121 1.00 0.00 N ATOM 682 CA GLU A 46 -16.398 16.330 9.986 1.00 0.00 C ATOM 683 C GLU A 46 -16.121 17.631 9.247 1.00 0.00 C ATOM 684 O GLU A 46 -16.689 18.672 9.572 1.00 0.00 O ATOM 685 CB GLU A 46 -15.563 16.257 11.268 1.00 0.00 C ATOM 686 CG GLU A 46 -14.070 16.419 11.037 1.00 0.00 C ATOM 687 CD GLU A 46 -13.415 17.318 12.067 1.00 0.00 C ATOM 688 OE1 GLU A 46 -13.721 17.164 13.269 1.00 0.00 O ATOM 689 OE2 GLU A 46 -12.595 18.174 11.674 1.00 0.00 O ATOM 0 H GLU A 46 -15.444 14.526 9.507 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.452 16.299 10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.901 17.032 11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.744 15.299 11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.594 15.439 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.903 16.831 10.042 1.00 0.00 H new ATOM 696 N VAL A 47 -15.253 17.554 8.239 1.00 0.00 N ATOM 697 CA VAL A 47 -14.909 18.711 7.430 1.00 0.00 C ATOM 698 C VAL A 47 -15.762 18.742 6.165 1.00 0.00 C ATOM 699 O VAL A 47 -16.281 19.788 5.779 1.00 0.00 O ATOM 700 CB VAL A 47 -13.401 18.733 7.072 1.00 0.00 C ATOM 701 CG1 VAL A 47 -13.164 18.785 5.568 1.00 0.00 C ATOM 702 CG2 VAL A 47 -12.737 19.922 7.733 1.00 0.00 C ATOM 0 H VAL A 47 -14.776 16.695 7.966 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.117 19.604 8.020 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.965 17.805 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.092 18.799 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.609 17.907 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.621 19.686 5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.677 19.934 7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.205 20.842 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -12.850 19.847 8.815 1.00 0.00 H new ATOM 712 N PHE A 48 -15.908 17.582 5.525 1.00 0.00 N ATOM 713 CA PHE A 48 -16.701 17.470 4.305 1.00 0.00 C ATOM 714 C PHE A 48 -18.072 18.113 4.489 1.00 0.00 C ATOM 715 O PHE A 48 -18.500 18.933 3.678 1.00 0.00 O ATOM 716 CB PHE A 48 -16.858 15.998 3.903 1.00 0.00 C ATOM 717 CG PHE A 48 -17.988 15.746 2.942 1.00 0.00 C ATOM 718 CD1 PHE A 48 -18.007 16.355 1.697 1.00 0.00 C ATOM 719 CD2 PHE A 48 -19.032 14.903 3.286 1.00 0.00 C ATOM 720 CE1 PHE A 48 -19.045 16.126 0.814 1.00 0.00 C ATOM 721 CE2 PHE A 48 -20.074 14.671 2.408 1.00 0.00 C ATOM 722 CZ PHE A 48 -20.080 15.284 1.170 1.00 0.00 C ATOM 0 H PHE A 48 -15.486 16.706 5.833 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.176 17.999 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.927 15.653 3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.018 15.401 4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.201 17.016 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -19.032 14.421 4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.047 16.605 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -20.882 14.012 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 48 -20.893 15.105 0.482 1.00 0.00 H new ATOM 732 N ASN A 49 -18.753 17.736 5.565 1.00 0.00 N ATOM 733 CA ASN A 49 -20.074 18.280 5.855 1.00 0.00 C ATOM 734 C ASN A 49 -19.974 19.532 6.723 1.00 0.00 C ATOM 735 O ASN A 49 -20.975 20.006 7.260 1.00 0.00 O ATOM 736 CB ASN A 49 -20.938 17.229 6.556 1.00 0.00 C ATOM 737 CG ASN A 49 -20.937 15.900 5.826 1.00 0.00 C ATOM 738 OD1 ASN A 49 -21.603 15.740 4.803 1.00 0.00 O ATOM 739 ND2 ASN A 49 -20.187 14.937 6.349 1.00 0.00 N ATOM 0 H ASN A 49 -18.414 17.059 6.248 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.540 18.554 4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.574 17.082 7.573 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.961 17.597 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.147 14.021 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.651 15.113 7.199 1.00 0.00 H new ATOM 746 N LYS A 50 -18.760 20.062 6.864 1.00 0.00 N ATOM 747 CA LYS A 50 -18.540 21.255 7.679 1.00 0.00 C ATOM 748 C LYS A 50 -18.757 22.533 6.878 1.00 0.00 C ATOM 749 O LYS A 50 -18.812 22.510 5.648 1.00 0.00 O ATOM 750 CB LYS A 50 -17.122 21.239 8.234 1.00 0.00 C ATOM 751 CG LYS A 50 -16.990 21.836 9.625 1.00 0.00 C ATOM 752 CD LYS A 50 -15.533 21.898 10.059 1.00 0.00 C ATOM 753 CE LYS A 50 -15.072 23.332 10.267 1.00 0.00 C ATOM 754 NZ LYS A 50 -15.077 23.715 11.707 1.00 0.00 N ATOM 0 H LYS A 50 -17.918 19.687 6.427 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.264 21.242 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.765 20.209 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.471 21.787 7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.419 22.838 9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.559 21.238 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.404 21.336 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.907 21.420 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.067 23.452 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.722 24.007 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.024 24.750 11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.953 23.376 12.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.257 23.287 12.183 1.00 0.00 H new ATOM 768 N GLU A 51 -18.864 23.651 7.590 1.00 0.00 N ATOM 769 CA GLU A 51 -19.057 24.948 6.957 1.00 0.00 C ATOM 770 C GLU A 51 -17.718 25.608 6.682 1.00 0.00 C ATOM 771 O GLU A 51 -17.587 26.387 5.737 1.00 0.00 O ATOM 772 CB GLU A 51 -19.924 25.853 7.835 1.00 0.00 C ATOM 773 CG GLU A 51 -20.886 26.724 7.046 1.00 0.00 C ATOM 774 CD GLU A 51 -22.248 26.833 7.706 1.00 0.00 C ATOM 775 OE1 GLU A 51 -22.332 27.435 8.798 1.00 0.00 O ATOM 776 OE2 GLU A 51 -23.229 26.317 7.130 1.00 0.00 O ATOM 0 H GLU A 51 -18.820 23.683 8.609 1.00 0.00 H new ATOM 0 HA GLU A 51 -19.571 24.793 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -20.493 25.235 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.276 26.492 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.460 27.721 6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.004 26.313 6.043 1.00 0.00 H new ATOM 783 N ASP A 52 -16.713 25.280 7.488 1.00 0.00 N ATOM 784 CA ASP A 52 -15.390 25.844 7.278 1.00 0.00 C ATOM 785 C ASP A 52 -14.565 24.956 6.370 1.00 0.00 C ATOM 786 O ASP A 52 -13.355 25.135 6.246 1.00 0.00 O ATOM 787 CB ASP A 52 -14.644 26.082 8.588 1.00 0.00 C ATOM 788 CG ASP A 52 -15.554 26.556 9.705 1.00 0.00 C ATOM 789 OD1 ASP A 52 -16.548 27.250 9.408 1.00 0.00 O ATOM 790 OD2 ASP A 52 -15.271 26.232 10.879 1.00 0.00 O ATOM 0 H ASP A 52 -16.789 24.639 8.278 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.536 26.813 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.152 25.159 8.894 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.860 26.822 8.425 1.00 0.00 H new ATOM 795 N ALA A 53 -15.230 24.028 5.693 1.00 0.00 N ATOM 796 CA ALA A 53 -14.557 23.151 4.751 1.00 0.00 C ATOM 797 C ALA A 53 -14.239 23.946 3.495 1.00 0.00 C ATOM 798 O ALA A 53 -14.407 23.478 2.370 1.00 0.00 O ATOM 799 CB ALA A 53 -15.419 21.941 4.430 1.00 0.00 C ATOM 0 H ALA A 53 -16.233 23.866 5.780 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.631 22.778 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.895 21.298 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.621 21.385 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -16.361 22.271 3.991 1.00 0.00 H new ATOM 805 N THR A 54 -13.793 25.171 3.726 1.00 0.00 N ATOM 806 CA THR A 54 -13.445 26.102 2.673 1.00 0.00 C ATOM 807 C THR A 54 -12.030 25.853 2.173 1.00 0.00 C ATOM 808 O THR A 54 -11.676 24.742 1.792 1.00 0.00 O ATOM 809 CB THR A 54 -13.619 27.530 3.202 1.00 0.00 C ATOM 810 OG1 THR A 54 -12.578 27.864 4.103 1.00 0.00 O ATOM 811 CG2 THR A 54 -14.935 27.744 3.923 1.00 0.00 C ATOM 0 H THR A 54 -13.662 25.548 4.665 1.00 0.00 H new ATOM 0 HA THR A 54 -14.107 25.958 1.819 1.00 0.00 H new ATOM 0 HB THR A 54 -13.596 28.169 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.707 28.780 4.427 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.995 28.775 4.272 1.00 0.00 H new ATOM 0 HG22 THR A 54 -15.761 27.543 3.240 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.997 27.068 4.776 1.00 0.00 H new ATOM 819 N GLU A 55 -11.241 26.895 2.160 1.00 0.00 N ATOM 820 CA GLU A 55 -9.863 26.809 1.691 1.00 0.00 C ATOM 821 C GLU A 55 -8.899 26.438 2.818 1.00 0.00 C ATOM 822 O GLU A 55 -7.760 26.052 2.563 1.00 0.00 O ATOM 823 CB GLU A 55 -9.437 28.137 1.063 1.00 0.00 C ATOM 824 CG GLU A 55 -8.536 27.974 -0.151 1.00 0.00 C ATOM 825 CD GLU A 55 -9.285 28.148 -1.459 1.00 0.00 C ATOM 826 OE1 GLU A 55 -10.174 29.023 -1.521 1.00 0.00 O ATOM 827 OE2 GLU A 55 -8.981 27.410 -2.419 1.00 0.00 O ATOM 0 H GLU A 55 -11.523 27.825 2.470 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.821 26.018 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.328 28.694 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.918 28.734 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.727 28.703 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.076 26.986 -0.128 1.00 0.00 H new ATOM 834 N GLU A 56 -9.344 26.583 4.063 1.00 0.00 N ATOM 835 CA GLU A 56 -8.492 26.285 5.211 1.00 0.00 C ATOM 836 C GLU A 56 -8.709 24.879 5.781 1.00 0.00 C ATOM 837 O GLU A 56 -7.756 24.120 5.949 1.00 0.00 O ATOM 838 CB GLU A 56 -8.717 27.324 6.312 1.00 0.00 C ATOM 839 CG GLU A 56 -7.565 28.303 6.466 1.00 0.00 C ATOM 840 CD GLU A 56 -7.923 29.492 7.336 1.00 0.00 C ATOM 841 OE1 GLU A 56 -9.045 30.020 7.189 1.00 0.00 O ATOM 842 OE2 GLU A 56 -7.081 29.895 8.166 1.00 0.00 O ATOM 0 H GLU A 56 -10.283 26.903 4.302 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.464 26.326 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.629 27.880 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.875 26.809 7.260 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.709 27.786 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.260 28.657 5.481 1.00 0.00 H new ATOM 849 N GLU A 57 -9.954 24.561 6.131 1.00 0.00 N ATOM 850 CA GLU A 57 -10.274 23.272 6.749 1.00 0.00 C ATOM 851 C GLU A 57 -10.215 22.081 5.786 1.00 0.00 C ATOM 852 O GLU A 57 -10.110 20.937 6.232 1.00 0.00 O ATOM 853 CB GLU A 57 -11.656 23.341 7.400 1.00 0.00 C ATOM 854 CG GLU A 57 -11.759 22.553 8.694 1.00 0.00 C ATOM 855 CD GLU A 57 -11.270 23.338 9.895 1.00 0.00 C ATOM 856 OE1 GLU A 57 -11.542 24.555 9.961 1.00 0.00 O ATOM 857 OE2 GLU A 57 -10.612 22.736 10.770 1.00 0.00 O ATOM 0 H GLU A 57 -10.757 25.175 5.998 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.500 23.095 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.903 24.384 7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.399 22.966 6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.796 22.259 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.178 21.635 8.603 1.00 0.00 H new ATOM 864 N ILE A 58 -10.287 22.323 4.483 1.00 0.00 N ATOM 865 CA ILE A 58 -10.245 21.225 3.516 1.00 0.00 C ATOM 866 C ILE A 58 -8.869 20.581 3.468 1.00 0.00 C ATOM 867 O ILE A 58 -8.677 19.479 3.973 1.00 0.00 O ATOM 868 CB ILE A 58 -10.626 21.693 2.104 1.00 0.00 C ATOM 869 CG1 ILE A 58 -12.072 22.177 2.092 1.00 0.00 C ATOM 870 CG2 ILE A 58 -10.428 20.576 1.083 1.00 0.00 C ATOM 871 CD1 ILE A 58 -13.084 21.078 2.333 1.00 0.00 C ATOM 0 H ILE A 58 -10.373 23.253 4.073 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.976 20.491 3.854 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.971 22.519 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.195 22.945 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.281 22.646 1.131 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.705 20.935 0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.382 20.269 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.055 19.725 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.090 21.498 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.990 20.320 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.903 20.624 3.307 1.00 0.00 H new ATOM 883 N ASN A 59 -7.912 21.272 2.855 1.00 0.00 N ATOM 884 CA ASN A 59 -6.549 20.748 2.747 1.00 0.00 C ATOM 885 C ASN A 59 -6.073 20.260 4.107 1.00 0.00 C ATOM 886 O ASN A 59 -5.291 19.315 4.208 1.00 0.00 O ATOM 887 CB ASN A 59 -5.578 21.807 2.211 1.00 0.00 C ATOM 888 CG ASN A 59 -6.232 22.782 1.252 1.00 0.00 C ATOM 889 OD1 ASN A 59 -6.265 22.556 0.043 1.00 0.00 O ATOM 890 ND2 ASN A 59 -6.756 23.873 1.794 1.00 0.00 N ATOM 0 H ASN A 59 -8.050 22.188 2.428 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.566 19.917 2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.154 22.360 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.750 21.310 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.211 24.568 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.704 24.017 2.802 1.00 0.00 H new ATOM 897 N LEU A 60 -6.570 20.909 5.153 1.00 0.00 N ATOM 898 CA LEU A 60 -6.222 20.547 6.514 1.00 0.00 C ATOM 899 C LEU A 60 -6.829 19.194 6.868 1.00 0.00 C ATOM 900 O LEU A 60 -6.235 18.411 7.609 1.00 0.00 O ATOM 901 CB LEU A 60 -6.717 21.622 7.485 1.00 0.00 C ATOM 902 CG LEU A 60 -5.643 22.588 7.988 1.00 0.00 C ATOM 903 CD1 LEU A 60 -6.234 23.971 8.219 1.00 0.00 C ATOM 904 CD2 LEU A 60 -5.006 22.058 9.263 1.00 0.00 C ATOM 0 H LEU A 60 -7.219 21.693 5.080 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.137 20.474 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.501 22.199 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.173 21.131 8.345 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.869 22.670 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.455 24.644 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.643 24.353 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.028 23.908 8.963 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.244 22.758 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.770 21.946 10.032 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.546 21.090 9.065 1.00 0.00 H new ATOM 916 N ALA A 61 -8.018 18.924 6.332 1.00 0.00 N ATOM 917 CA ALA A 61 -8.700 17.663 6.595 1.00 0.00 C ATOM 918 C ALA A 61 -8.450 16.637 5.486 1.00 0.00 C ATOM 919 O ALA A 61 -8.661 15.439 5.681 1.00 0.00 O ATOM 920 CB ALA A 61 -10.192 17.909 6.754 1.00 0.00 C ATOM 0 H ALA A 61 -8.525 19.560 5.716 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.296 17.251 7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.698 16.964 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.362 18.591 7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.588 18.349 5.839 1.00 0.00 H new ATOM 926 N LYS A 62 -8.017 17.112 4.321 1.00 0.00 N ATOM 927 CA LYS A 62 -7.760 16.239 3.179 1.00 0.00 C ATOM 928 C LYS A 62 -6.302 15.770 3.134 1.00 0.00 C ATOM 929 O LYS A 62 -6.018 14.642 2.732 1.00 0.00 O ATOM 930 CB LYS A 62 -8.136 16.963 1.876 1.00 0.00 C ATOM 931 CG LYS A 62 -6.953 17.529 1.102 1.00 0.00 C ATOM 932 CD LYS A 62 -7.395 18.594 0.112 1.00 0.00 C ATOM 933 CE LYS A 62 -6.219 19.138 -0.683 1.00 0.00 C ATOM 934 NZ LYS A 62 -6.605 20.313 -1.512 1.00 0.00 N ATOM 0 H LYS A 62 -7.836 18.100 4.143 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.380 15.349 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.676 16.268 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.822 17.777 2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.231 17.955 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.446 16.724 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.134 18.174 -0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.882 19.409 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.419 19.423 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.823 18.353 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.096 20.280 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.630 20.292 -1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.359 21.189 -1.008 1.00 0.00 H new ATOM 948 N GLU A 63 -5.383 16.644 3.533 1.00 0.00 N ATOM 949 CA GLU A 63 -3.955 16.322 3.523 1.00 0.00 C ATOM 950 C GLU A 63 -3.658 15.021 4.271 1.00 0.00 C ATOM 951 O GLU A 63 -2.632 14.383 4.036 1.00 0.00 O ATOM 952 CB GLU A 63 -3.153 17.468 4.141 1.00 0.00 C ATOM 953 CG GLU A 63 -1.650 17.236 4.129 1.00 0.00 C ATOM 954 CD GLU A 63 -0.877 18.395 4.725 1.00 0.00 C ATOM 955 OE1 GLU A 63 -1.417 19.521 4.745 1.00 0.00 O ATOM 956 OE2 GLU A 63 0.270 18.178 5.172 1.00 0.00 O ATOM 0 H GLU A 63 -5.599 17.583 3.868 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.658 16.185 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.374 18.388 3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.481 17.616 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.422 16.327 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.319 17.073 3.103 1.00 0.00 H new ATOM 963 N SER A 64 -4.559 14.634 5.166 1.00 0.00 N ATOM 964 CA SER A 64 -4.401 13.418 5.942 1.00 0.00 C ATOM 965 C SER A 64 -5.163 12.268 5.302 1.00 0.00 C ATOM 966 O SER A 64 -5.021 11.127 5.718 1.00 0.00 O ATOM 967 CB SER A 64 -4.885 13.635 7.376 1.00 0.00 C ATOM 968 OG SER A 64 -6.295 13.769 7.426 1.00 0.00 O ATOM 0 H SER A 64 -5.413 15.153 5.371 1.00 0.00 H new ATOM 0 HA SER A 64 -3.342 13.162 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.574 12.796 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.417 14.529 7.789 1.00 0.00 H new ATOM 0 HG SER A 64 -6.578 13.905 8.354 1.00 0.00 H new ATOM 974 N LEU A 65 -5.995 12.588 4.312 1.00 0.00 N ATOM 975 CA LEU A 65 -6.807 11.591 3.629 1.00 0.00 C ATOM 976 C LEU A 65 -6.131 11.101 2.345 1.00 0.00 C ATOM 977 O LEU A 65 -5.935 9.901 2.159 1.00 0.00 O ATOM 978 CB LEU A 65 -8.188 12.193 3.328 1.00 0.00 C ATOM 979 CG LEU A 65 -9.011 11.500 2.239 1.00 0.00 C ATOM 980 CD1 LEU A 65 -9.067 9.999 2.468 1.00 0.00 C ATOM 981 CD2 LEU A 65 -10.416 12.082 2.202 1.00 0.00 C ATOM 0 H LEU A 65 -6.122 13.539 3.965 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.922 10.723 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.770 12.190 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.051 13.236 3.041 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.526 11.675 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.658 9.532 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.056 9.591 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.527 9.795 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.996 11.584 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.898 11.930 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.362 13.149 1.987 1.00 0.00 H new ATOM 993 N GLU A 66 -5.780 12.033 1.465 1.00 0.00 N ATOM 994 CA GLU A 66 -5.136 11.702 0.195 1.00 0.00 C ATOM 995 C GLU A 66 -4.013 10.686 0.380 1.00 0.00 C ATOM 996 O GLU A 66 -4.021 9.621 -0.238 1.00 0.00 O ATOM 997 CB GLU A 66 -4.595 12.967 -0.480 1.00 0.00 C ATOM 998 CG GLU A 66 -3.761 13.847 0.437 1.00 0.00 C ATOM 999 CD GLU A 66 -3.596 15.255 -0.101 1.00 0.00 C ATOM 1000 OE1 GLU A 66 -2.737 15.456 -0.984 1.00 0.00 O ATOM 1001 OE2 GLU A 66 -4.325 16.157 0.361 1.00 0.00 O ATOM 0 H GLU A 66 -5.931 13.031 1.608 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.893 11.251 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.989 12.678 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.433 13.549 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.231 13.890 1.420 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.778 13.396 0.573 1.00 0.00 H new ATOM 1008 N GLY A 67 -3.053 11.012 1.238 1.00 0.00 N ATOM 1009 CA GLY A 67 -1.949 10.103 1.490 1.00 0.00 C ATOM 1010 C GLY A 67 -2.307 9.032 2.502 1.00 0.00 C ATOM 1011 O GLY A 67 -1.466 8.219 2.882 1.00 0.00 O ATOM 0 H GLY A 67 -3.019 11.886 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.649 9.631 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.090 10.669 1.851 1.00 0.00 H new ATOM 1015 N ALA A 68 -3.563 9.036 2.939 1.00 0.00 N ATOM 1016 CA ALA A 68 -4.045 8.070 3.911 1.00 0.00 C ATOM 1017 C ALA A 68 -4.740 6.903 3.225 1.00 0.00 C ATOM 1018 O ALA A 68 -4.365 5.748 3.422 1.00 0.00 O ATOM 1019 CB ALA A 68 -4.978 8.748 4.888 1.00 0.00 C ATOM 0 H ALA A 68 -4.268 9.705 2.630 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.190 7.671 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.336 8.019 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.445 9.545 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.826 9.170 4.348 1.00 0.00 H new ATOM 1025 N ILE A 69 -5.737 7.203 2.388 1.00 0.00 N ATOM 1026 CA ILE A 69 -6.437 6.157 1.657 1.00 0.00 C ATOM 1027 C ILE A 69 -5.413 5.394 0.867 1.00 0.00 C ATOM 1028 O ILE A 69 -5.411 4.165 0.813 1.00 0.00 O ATOM 1029 CB ILE A 69 -7.482 6.699 0.648 1.00 0.00 C ATOM 1030 CG1 ILE A 69 -7.140 8.120 0.193 1.00 0.00 C ATOM 1031 CG2 ILE A 69 -8.876 6.641 1.230 1.00 0.00 C ATOM 1032 CD1 ILE A 69 -7.964 8.590 -0.986 1.00 0.00 C ATOM 0 H ILE A 69 -6.070 8.149 2.205 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.968 5.549 2.389 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.453 6.056 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.289 8.806 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.083 8.164 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -9.590 7.027 0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.127 5.608 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -8.918 7.246 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.669 9.604 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.797 7.926 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.021 8.578 -0.719 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.528 6.168 0.262 1.00 0.00 N ATOM 1045 CA ALA A 70 -3.458 5.627 -0.537 1.00 0.00 C ATOM 1046 C ALA A 70 -2.710 4.531 0.220 1.00 0.00 C ATOM 1047 O ALA A 70 -2.100 3.649 -0.382 1.00 0.00 O ATOM 1048 CB ALA A 70 -2.525 6.750 -0.948 1.00 0.00 C ATOM 0 H ALA A 70 -4.537 7.187 0.315 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.875 5.168 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.713 6.346 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.078 7.488 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.112 7.224 -0.058 1.00 0.00 H new ATOM 1054 N ARG A 71 -2.776 4.591 1.551 1.00 0.00 N ATOM 1055 CA ARG A 71 -2.122 3.604 2.397 1.00 0.00 C ATOM 1056 C ARG A 71 -3.062 2.432 2.684 1.00 0.00 C ATOM 1057 O ARG A 71 -2.769 1.293 2.322 1.00 0.00 O ATOM 1058 CB ARG A 71 -1.669 4.246 3.711 1.00 0.00 C ATOM 1059 CG ARG A 71 -0.200 4.635 3.721 1.00 0.00 C ATOM 1060 CD ARG A 71 0.053 5.882 2.889 1.00 0.00 C ATOM 1061 NE ARG A 71 1.312 5.803 2.154 1.00 0.00 N ATOM 1062 CZ ARG A 71 2.511 5.862 2.729 1.00 0.00 C ATOM 1063 NH1 ARG A 71 2.618 6.000 4.045 1.00 0.00 N ATOM 1064 NH2 ARG A 71 3.607 5.782 1.986 1.00 0.00 N ATOM 0 H ARG A 71 -3.278 5.316 2.063 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.247 3.227 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.273 5.134 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.858 3.552 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.124 4.809 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.398 3.810 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.769 6.022 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.068 6.756 3.541 1.00 0.00 H new ATOM 0 HE ARG A 71 1.270 5.696 1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.779 6.061 4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.540 6.045 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 71 3.531 5.675 0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.526 5.827 2.426 1.00 0.00 H new ATOM 1078 N PHE A 72 -4.192 2.715 3.336 1.00 0.00 N ATOM 1079 CA PHE A 72 -5.165 1.684 3.668 1.00 0.00 C ATOM 1080 C PHE A 72 -5.465 0.789 2.469 1.00 0.00 C ATOM 1081 O PHE A 72 -5.719 -0.406 2.623 1.00 0.00 O ATOM 1082 CB PHE A 72 -6.452 2.333 4.164 1.00 0.00 C ATOM 1083 CG PHE A 72 -7.351 1.387 4.897 1.00 0.00 C ATOM 1084 CD1 PHE A 72 -6.914 0.731 6.031 1.00 0.00 C ATOM 1085 CD2 PHE A 72 -8.633 1.154 4.448 1.00 0.00 C ATOM 1086 CE1 PHE A 72 -7.749 -0.139 6.706 1.00 0.00 C ATOM 1087 CE2 PHE A 72 -9.466 0.292 5.118 1.00 0.00 C ATOM 1088 CZ PHE A 72 -9.027 -0.356 6.249 1.00 0.00 C ATOM 0 H PHE A 72 -4.452 3.652 3.643 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.740 1.059 4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.200 3.166 4.821 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.991 2.749 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.911 0.899 6.394 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.987 1.655 3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.398 -0.648 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.469 0.122 4.756 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.684 -1.032 6.776 1.00 0.00 H new ATOM 1098 N ASN A 73 -5.433 1.372 1.277 1.00 0.00 N ATOM 1099 CA ASN A 73 -5.699 0.625 0.056 1.00 0.00 C ATOM 1100 C ASN A 73 -4.655 -0.466 -0.135 1.00 0.00 C ATOM 1101 O ASN A 73 -4.952 -1.546 -0.644 1.00 0.00 O ATOM 1102 CB ASN A 73 -5.698 1.562 -1.155 1.00 0.00 C ATOM 1103 CG ASN A 73 -6.974 2.374 -1.267 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -8.067 1.820 -1.381 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -6.837 3.696 -1.239 1.00 0.00 N ATOM 0 H ASN A 73 -5.225 2.360 1.131 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.682 0.163 0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.846 2.239 -1.085 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.565 0.975 -2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.659 4.296 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.910 4.111 -1.143 1.00 0.00 H new ATOM 1112 N SER A 74 -3.428 -0.167 0.276 1.00 0.00 N ATOM 1113 CA SER A 74 -2.327 -1.114 0.151 1.00 0.00 C ATOM 1114 C SER A 74 -1.919 -1.676 1.512 1.00 0.00 C ATOM 1115 O SER A 74 -0.736 -1.891 1.776 1.00 0.00 O ATOM 1116 CB SER A 74 -1.130 -0.442 -0.525 1.00 0.00 C ATOM 1117 OG SER A 74 -1.226 0.970 -0.447 1.00 0.00 O ATOM 0 H SER A 74 -3.171 0.725 0.699 1.00 0.00 H new ATOM 0 HA SER A 74 -2.666 -1.946 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.207 -0.774 -0.050 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.079 -0.749 -1.570 1.00 0.00 H new ATOM 0 HG SER A 74 -0.449 1.375 -0.885 1.00 0.00 H new ATOM 1123 N LEU A 75 -2.904 -1.919 2.371 1.00 0.00 N ATOM 1124 CA LEU A 75 -2.644 -2.461 3.701 1.00 0.00 C ATOM 1125 C LEU A 75 -3.117 -3.911 3.799 1.00 0.00 C ATOM 1126 O LEU A 75 -2.555 -4.711 4.545 1.00 0.00 O ATOM 1127 CB LEU A 75 -3.337 -1.605 4.766 1.00 0.00 C ATOM 1128 CG LEU A 75 -2.414 -0.670 5.553 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -1.439 -1.472 6.400 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -1.666 0.260 4.611 1.00 0.00 C ATOM 0 H LEU A 75 -3.890 -1.749 2.170 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.568 -2.440 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.108 -1.006 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.842 -2.267 5.469 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.027 -0.062 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.791 -0.791 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.994 -2.095 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.832 -2.106 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.015 0.917 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.065 -0.330 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.381 0.861 4.049 1.00 0.00 H new ATOM 1142 N LEU A 76 -4.149 -4.239 3.027 1.00 0.00 N ATOM 1143 CA LEU A 76 -4.718 -5.587 2.998 1.00 0.00 C ATOM 1144 C LEU A 76 -3.813 -6.543 2.236 1.00 0.00 C ATOM 1145 O LEU A 76 -4.258 -7.232 1.317 1.00 0.00 O ATOM 1146 CB LEU A 76 -6.097 -5.555 2.332 1.00 0.00 C ATOM 1147 CG LEU A 76 -6.206 -4.699 1.056 1.00 0.00 C ATOM 1148 CD1 LEU A 76 -6.609 -3.272 1.405 1.00 0.00 C ATOM 1149 CD2 LEU A 76 -4.902 -4.713 0.251 1.00 0.00 C ATOM 0 H LEU A 76 -4.616 -3.580 2.404 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.812 -5.939 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.385 -6.577 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.821 -5.185 3.058 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.981 -5.138 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.681 -2.681 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.575 -3.280 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.859 -2.833 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.019 -4.098 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.092 -4.315 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.666 -5.736 -0.042 1.00 0.00 H new ATOM 1161 N ILE A 77 -2.539 -6.558 2.593 1.00 0.00 N ATOM 1162 CA ILE A 77 -1.578 -7.405 1.903 1.00 0.00 C ATOM 1163 C ILE A 77 -1.687 -7.145 0.424 1.00 0.00 C ATOM 1164 O ILE A 77 -2.024 -8.038 -0.353 1.00 0.00 O ATOM 1165 CB ILE A 77 -1.810 -8.903 2.187 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -2.174 -9.125 3.659 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -0.580 -9.714 1.807 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -1.192 -8.512 4.636 1.00 0.00 C ATOM 0 H ILE A 77 -2.148 -5.998 3.351 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.581 -7.161 2.269 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.646 -9.243 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.164 -8.708 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.239 -10.196 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.761 -10.769 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.372 -9.583 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.276 -9.372 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.520 -8.713 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.205 -8.946 4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.144 -7.435 4.476 1.00 0.00 H new ATOM 1180 N GLU A 78 -1.421 -5.887 0.059 1.00 0.00 N ATOM 1181 CA GLU A 78 -1.497 -5.442 -1.321 1.00 0.00 C ATOM 1182 C GLU A 78 -1.585 -6.623 -2.262 1.00 0.00 C ATOM 1183 O GLU A 78 -0.713 -7.490 -2.280 1.00 0.00 O ATOM 1184 CB GLU A 78 -0.305 -4.556 -1.672 1.00 0.00 C ATOM 1185 CG GLU A 78 -0.710 -3.150 -2.075 1.00 0.00 C ATOM 1186 CD GLU A 78 -0.553 -2.899 -3.561 1.00 0.00 C ATOM 1187 OE1 GLU A 78 0.520 -3.228 -4.109 1.00 0.00 O ATOM 1188 OE2 GLU A 78 -1.504 -2.374 -4.178 1.00 0.00 O ATOM 0 H GLU A 78 -1.148 -5.156 0.716 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.404 -4.849 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.366 -4.503 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.254 -5.015 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.748 -2.980 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.106 -2.430 -1.523 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.666 -6.654 -3.016 1.00 0.00 N ATOM 1196 CA GLU A 79 -2.937 -7.727 -3.959 1.00 0.00 C ATOM 1197 C GLU A 79 -1.673 -8.201 -4.685 1.00 0.00 C ATOM 1198 O GLU A 79 -1.625 -9.325 -5.182 1.00 0.00 O ATOM 1199 CB GLU A 79 -4.000 -7.258 -4.946 1.00 0.00 C ATOM 1200 CG GLU A 79 -5.213 -6.641 -4.254 1.00 0.00 C ATOM 1201 CD GLU A 79 -6.406 -6.498 -5.179 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -6.732 -7.477 -5.881 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -7.011 -5.406 -5.202 1.00 0.00 O ATOM 0 H GLU A 79 -3.387 -5.933 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.305 -8.591 -3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.562 -6.526 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.324 -8.103 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.492 -7.259 -3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.943 -5.660 -3.862 1.00 0.00 H new ATOM 1210 N SER A 80 -0.648 -7.350 -4.736 1.00 0.00 N ATOM 1211 CA SER A 80 0.601 -7.713 -5.393 1.00 0.00 C ATOM 1212 C SER A 80 1.829 -7.416 -4.520 1.00 0.00 C ATOM 1213 O SER A 80 2.910 -7.163 -5.053 1.00 0.00 O ATOM 1214 CB SER A 80 0.726 -6.974 -6.725 1.00 0.00 C ATOM 1215 OG SER A 80 1.887 -7.381 -7.429 1.00 0.00 O ATOM 0 H SER A 80 -0.660 -6.413 -4.333 1.00 0.00 H new ATOM 0 HA SER A 80 0.573 -8.789 -5.565 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.158 -7.165 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.764 -5.899 -6.546 1.00 0.00 H new ATOM 0 HG SER A 80 2.667 -7.314 -6.840 1.00 0.00 H new ATOM 1221 N THR A 81 1.686 -7.448 -3.187 1.00 0.00 N ATOM 1222 CA THR A 81 2.826 -7.180 -2.311 1.00 0.00 C ATOM 1223 C THR A 81 3.609 -8.452 -2.003 1.00 0.00 C ATOM 1224 O THR A 81 4.726 -8.389 -1.488 1.00 0.00 O ATOM 1225 CB THR A 81 2.364 -6.537 -1.009 1.00 0.00 C ATOM 1226 OG1 THR A 81 3.470 -6.245 -0.173 1.00 0.00 O ATOM 1227 CG2 THR A 81 1.413 -7.408 -0.227 1.00 0.00 C ATOM 0 H THR A 81 0.811 -7.652 -2.704 1.00 0.00 H new ATOM 0 HA THR A 81 3.485 -6.491 -2.840 1.00 0.00 H new ATOM 0 HB THR A 81 1.843 -5.625 -1.301 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.237 -6.793 -0.441 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.120 -6.895 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.527 -7.611 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.904 -8.348 0.024 1.00 0.00 H new ATOM 1235 N GLY A 82 3.029 -9.607 -2.322 1.00 0.00 N ATOM 1236 CA GLY A 82 3.708 -10.866 -2.068 1.00 0.00 C ATOM 1237 C GLY A 82 5.138 -10.861 -2.578 1.00 0.00 C ATOM 1238 O GLY A 82 5.995 -11.575 -2.060 1.00 0.00 O ATOM 0 H GLY A 82 2.107 -9.693 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.707 -11.067 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.157 -11.676 -2.545 1.00 0.00 H new ATOM 1242 N ASP A 83 5.393 -10.049 -3.598 1.00 0.00 N ATOM 1243 CA ASP A 83 6.725 -9.945 -4.182 1.00 0.00 C ATOM 1244 C ASP A 83 7.624 -9.049 -3.336 1.00 0.00 C ATOM 1245 O ASP A 83 7.861 -7.890 -3.679 1.00 0.00 O ATOM 1246 CB ASP A 83 6.638 -9.400 -5.609 1.00 0.00 C ATOM 1247 CG ASP A 83 5.822 -8.125 -5.694 1.00 0.00 C ATOM 1248 OD1 ASP A 83 5.601 -7.490 -4.641 1.00 0.00 O ATOM 1249 OD2 ASP A 83 5.403 -7.763 -6.813 1.00 0.00 O ATOM 0 H ASP A 83 4.693 -9.452 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 83 7.161 -10.944 -4.208 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.644 -9.210 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.194 -10.156 -6.257 1.00 0.00 H new ATOM 1254 N PHE A 84 8.124 -9.594 -2.232 1.00 0.00 N ATOM 1255 CA PHE A 84 8.999 -8.844 -1.339 1.00 0.00 C ATOM 1256 C PHE A 84 10.242 -8.360 -2.076 1.00 0.00 C ATOM 1257 O PHE A 84 10.455 -7.157 -2.234 1.00 0.00 O ATOM 1258 CB PHE A 84 9.415 -9.708 -0.148 1.00 0.00 C ATOM 1259 CG PHE A 84 8.319 -9.950 0.856 1.00 0.00 C ATOM 1260 CD1 PHE A 84 7.278 -9.044 1.017 1.00 0.00 C ATOM 1261 CD2 PHE A 84 8.336 -11.085 1.647 1.00 0.00 C ATOM 1262 CE1 PHE A 84 6.282 -9.270 1.945 1.00 0.00 C ATOM 1263 CE2 PHE A 84 7.342 -11.315 2.579 1.00 0.00 C ATOM 1264 CZ PHE A 84 6.314 -10.405 2.727 1.00 0.00 C ATOM 0 H PHE A 84 7.938 -10.552 -1.935 1.00 0.00 H new ATOM 0 HA PHE A 84 8.445 -7.978 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.771 -10.669 -0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.255 -9.230 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.248 -8.152 0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.137 -11.801 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.478 -8.558 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.369 -12.205 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.536 -10.582 3.455 1.00 0.00 H new ATOM 1274 N ASN A 85 11.056 -9.305 -2.530 1.00 0.00 N ATOM 1275 CA ASN A 85 12.277 -8.975 -3.256 1.00 0.00 C ATOM 1276 C ASN A 85 11.956 -8.227 -4.543 1.00 0.00 C ATOM 1277 O ASN A 85 12.834 -7.611 -5.149 1.00 0.00 O ATOM 1278 CB ASN A 85 13.057 -10.247 -3.595 1.00 0.00 C ATOM 1279 CG ASN A 85 13.732 -10.861 -2.386 1.00 0.00 C ATOM 1280 OD1 ASN A 85 14.786 -10.401 -1.948 1.00 0.00 O ATOM 1281 ND2 ASN A 85 13.125 -11.910 -1.842 1.00 0.00 N ATOM 0 H ASN A 85 10.894 -10.305 -2.409 1.00 0.00 H new ATOM 0 HA ASN A 85 12.884 -8.336 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.379 -10.977 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.811 -10.016 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.532 -12.369 -1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.252 -12.257 -2.239 1.00 0.00 H new ATOM 1288 N GLY A 86 10.701 -8.304 -4.972 1.00 0.00 N ATOM 1289 CA GLY A 86 10.302 -7.650 -6.200 1.00 0.00 C ATOM 1290 C GLY A 86 10.715 -8.454 -7.415 1.00 0.00 C ATOM 1291 O GLY A 86 10.489 -8.039 -8.552 1.00 0.00 O ATOM 0 H GLY A 86 9.956 -8.807 -4.491 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.221 -7.510 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.752 -6.658 -6.248 1.00 0.00 H new ATOM 1295 N ASN A 87 11.328 -9.613 -7.172 1.00 0.00 N ATOM 1296 CA ASN A 87 11.779 -10.483 -8.256 1.00 0.00 C ATOM 1297 C ASN A 87 10.638 -11.354 -8.771 1.00 0.00 C ATOM 1298 O ASN A 87 10.654 -11.796 -9.919 1.00 0.00 O ATOM 1299 CB ASN A 87 12.934 -11.373 -7.788 1.00 0.00 C ATOM 1300 CG ASN A 87 13.877 -10.663 -6.836 1.00 0.00 C ATOM 1301 OD1 ASN A 87 13.984 -9.438 -6.849 1.00 0.00 O ATOM 1302 ND2 ASN A 87 14.567 -11.435 -6.004 1.00 0.00 N ATOM 0 H ASN A 87 11.523 -9.969 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 87 12.126 -9.845 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.529 -12.258 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.495 -11.719 -8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.218 -11.015 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.446 -12.447 -6.029 1.00 0.00 H new ATOM 1309 N GLY A 88 9.648 -11.597 -7.917 1.00 0.00 N ATOM 1310 CA GLY A 88 8.516 -12.414 -8.312 1.00 0.00 C ATOM 1311 C GLY A 88 8.524 -13.785 -7.662 1.00 0.00 C ATOM 1312 O GLY A 88 7.951 -14.733 -8.199 1.00 0.00 O ATOM 0 H GLY A 88 9.610 -11.243 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.592 -11.898 -8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.519 -12.531 -9.396 1.00 0.00 H new ATOM 1316 N LYS A 89 9.166 -13.892 -6.502 1.00 0.00 N ATOM 1317 CA LYS A 89 9.233 -15.157 -5.783 1.00 0.00 C ATOM 1318 C LYS A 89 8.675 -14.993 -4.376 1.00 0.00 C ATOM 1319 O LYS A 89 9.227 -14.252 -3.562 1.00 0.00 O ATOM 1320 CB LYS A 89 10.677 -15.658 -5.720 1.00 0.00 C ATOM 1321 CG LYS A 89 11.609 -14.735 -4.952 1.00 0.00 C ATOM 1322 CD LYS A 89 13.063 -14.970 -5.330 1.00 0.00 C ATOM 1323 CE LYS A 89 13.976 -14.873 -4.118 1.00 0.00 C ATOM 1324 NZ LYS A 89 14.259 -16.209 -3.527 1.00 0.00 N ATOM 0 H LYS A 89 9.646 -13.118 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 89 8.631 -15.892 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.691 -16.644 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.055 -15.780 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.343 -13.697 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.480 -14.895 -3.882 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.167 -15.954 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.369 -14.237 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.914 -14.398 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.514 -14.234 -3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.631 -16.090 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.382 -16.767 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.962 -16.705 -4.111 1.00 0.00 H new ATOM 1338 N ILE A 90 7.574 -15.680 -4.096 1.00 0.00 N ATOM 1339 CA ILE A 90 6.942 -15.596 -2.786 1.00 0.00 C ATOM 1340 C ILE A 90 6.974 -16.937 -2.072 1.00 0.00 C ATOM 1341 O ILE A 90 6.076 -17.762 -2.235 1.00 0.00 O ATOM 1342 CB ILE A 90 5.476 -15.117 -2.878 1.00 0.00 C ATOM 1343 CG1 ILE A 90 5.242 -14.306 -4.156 1.00 0.00 C ATOM 1344 CG2 ILE A 90 5.124 -14.292 -1.651 1.00 0.00 C ATOM 1345 CD1 ILE A 90 6.267 -13.217 -4.379 1.00 0.00 C ATOM 0 H ILE A 90 7.102 -16.299 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 90 7.516 -14.864 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 90 4.828 -15.992 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.250 -14.982 -5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.250 -13.856 -4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.089 -13.957 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.248 -14.901 -0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.782 -13.425 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.038 -12.685 -5.302 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.244 -12.519 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.260 -13.661 -4.453 1.00 0.00 H new ATOM 1357 N ASP A 91 8.013 -17.147 -1.277 1.00 0.00 N ATOM 1358 CA ASP A 91 8.156 -18.395 -0.535 1.00 0.00 C ATOM 1359 C ASP A 91 9.309 -18.324 0.458 1.00 0.00 C ATOM 1360 O ASP A 91 9.104 -18.406 1.669 1.00 0.00 O ATOM 1361 CB ASP A 91 8.370 -19.563 -1.499 1.00 0.00 C ATOM 1362 CG ASP A 91 7.971 -20.894 -0.891 1.00 0.00 C ATOM 1363 OD1 ASP A 91 8.705 -21.388 -0.009 1.00 0.00 O ATOM 1364 OD2 ASP A 91 6.925 -21.442 -1.297 1.00 0.00 O ATOM 0 H ASP A 91 8.766 -16.475 -1.128 1.00 0.00 H new ATOM 0 HA ASP A 91 7.235 -18.554 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.791 -19.393 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.419 -19.601 -1.793 1.00 0.00 H new ATOM 1369 N ILE A 92 10.521 -18.176 -0.059 1.00 0.00 N ATOM 1370 CA ILE A 92 11.701 -18.102 0.793 1.00 0.00 C ATOM 1371 C ILE A 92 11.947 -16.679 1.276 1.00 0.00 C ATOM 1372 O ILE A 92 12.568 -16.464 2.316 1.00 0.00 O ATOM 1373 CB ILE A 92 12.963 -18.607 0.069 1.00 0.00 C ATOM 1374 CG1 ILE A 92 14.150 -18.627 1.045 1.00 0.00 C ATOM 1375 CG2 ILE A 92 13.255 -17.747 -1.156 1.00 0.00 C ATOM 1376 CD1 ILE A 92 15.333 -17.783 0.618 1.00 0.00 C ATOM 0 H ILE A 92 10.713 -18.105 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 92 11.502 -18.747 1.649 1.00 0.00 H new ATOM 0 HB ILE A 92 12.796 -19.626 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.807 -18.281 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.482 -19.657 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.150 -18.118 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 92 12.410 -17.794 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 92 13.414 -16.714 -0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 92 16.122 -17.858 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 92 15.708 -18.140 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 92 15.022 -16.743 0.521 1.00 0.00 H new ATOM 1388 N GLY A 93 11.454 -15.709 0.517 1.00 0.00 N ATOM 1389 CA GLY A 93 11.631 -14.322 0.891 1.00 0.00 C ATOM 1390 C GLY A 93 10.759 -13.917 2.065 1.00 0.00 C ATOM 1391 O GLY A 93 10.812 -12.775 2.518 1.00 0.00 O ATOM 0 H GLY A 93 10.936 -15.859 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.677 -14.149 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.400 -13.687 0.036 1.00 0.00 H new ATOM 1395 N ASP A 94 9.953 -14.852 2.559 1.00 0.00 N ATOM 1396 CA ASP A 94 9.067 -14.576 3.684 1.00 0.00 C ATOM 1397 C ASP A 94 9.779 -14.808 5.012 1.00 0.00 C ATOM 1398 O ASP A 94 9.482 -14.151 6.009 1.00 0.00 O ATOM 1399 CB ASP A 94 7.817 -15.454 3.601 1.00 0.00 C ATOM 1400 CG ASP A 94 6.846 -15.188 4.735 1.00 0.00 C ATOM 1401 OD1 ASP A 94 6.835 -14.053 5.254 1.00 0.00 O ATOM 1402 OD2 ASP A 94 6.096 -16.117 5.104 1.00 0.00 O ATOM 0 H ASP A 94 9.895 -15.805 2.199 1.00 0.00 H new ATOM 0 HA ASP A 94 8.772 -13.528 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.316 -15.279 2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.112 -16.503 3.618 1.00 0.00 H new ATOM 1407 N LEU A 95 10.713 -15.751 5.020 1.00 0.00 N ATOM 1408 CA LEU A 95 11.461 -16.073 6.231 1.00 0.00 C ATOM 1409 C LEU A 95 12.926 -15.667 6.101 1.00 0.00 C ATOM 1410 O LEU A 95 13.802 -16.287 6.703 1.00 0.00 O ATOM 1411 CB LEU A 95 11.360 -17.570 6.531 1.00 0.00 C ATOM 1412 CG LEU A 95 11.697 -17.965 7.970 1.00 0.00 C ATOM 1413 CD1 LEU A 95 10.471 -17.836 8.860 1.00 0.00 C ATOM 1414 CD2 LEU A 95 12.246 -19.384 8.016 1.00 0.00 C ATOM 0 H LEU A 95 10.971 -16.306 4.204 1.00 0.00 H new ATOM 0 HA LEU A 95 11.024 -15.509 7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.347 -17.903 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 95 12.028 -18.106 5.857 1.00 0.00 H new ATOM 0 HG LEU A 95 12.464 -17.287 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.730 -18.121 9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.121 -16.804 8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.682 -18.490 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 95 12.481 -19.650 9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.500 -20.076 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.150 -19.444 7.411 1.00 0.00 H new ATOM 1426 N ALA A 96 13.190 -14.630 5.312 1.00 0.00 N ATOM 1427 CA ALA A 96 14.560 -14.165 5.117 1.00 0.00 C ATOM 1428 C ALA A 96 14.620 -12.770 4.493 1.00 0.00 C ATOM 1429 O ALA A 96 15.565 -12.019 4.736 1.00 0.00 O ATOM 1430 CB ALA A 96 15.328 -15.156 4.256 1.00 0.00 C ATOM 0 H ALA A 96 12.483 -14.101 4.802 1.00 0.00 H new ATOM 0 HA ALA A 96 15.022 -14.097 6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 96 16.349 -14.801 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 96 15.346 -16.128 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.840 -15.250 3.286 1.00 0.00 H new ATOM 1436 N MET A 97 13.628 -12.428 3.674 1.00 0.00 N ATOM 1437 CA MET A 97 13.607 -11.126 3.013 1.00 0.00 C ATOM 1438 C MET A 97 12.945 -10.056 3.878 1.00 0.00 C ATOM 1439 O MET A 97 13.621 -9.192 4.438 1.00 0.00 O ATOM 1440 CB MET A 97 12.878 -11.228 1.670 1.00 0.00 C ATOM 1441 CG MET A 97 13.510 -10.416 0.550 1.00 0.00 C ATOM 1442 SD MET A 97 14.126 -8.808 1.091 1.00 0.00 S ATOM 1443 CE MET A 97 13.993 -7.877 -0.432 1.00 0.00 C ATOM 0 H MET A 97 12.834 -13.029 3.454 1.00 0.00 H new ATOM 0 HA MET A 97 14.643 -10.828 2.848 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.842 -12.275 1.368 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.847 -10.900 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 97 14.333 -10.986 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.775 -10.268 -0.241 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.881 -6.817 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 97 14.893 -8.025 -1.029 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.124 -8.220 -0.994 1.00 0.00 H new ATOM 1453 N VAL A 98 11.619 -10.103 3.964 1.00 0.00 N ATOM 1454 CA VAL A 98 10.866 -9.123 4.735 1.00 0.00 C ATOM 1455 C VAL A 98 11.195 -9.176 6.226 1.00 0.00 C ATOM 1456 O VAL A 98 11.502 -8.153 6.835 1.00 0.00 O ATOM 1457 CB VAL A 98 9.343 -9.297 4.536 1.00 0.00 C ATOM 1458 CG1 VAL A 98 8.833 -10.564 5.210 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.604 -8.080 5.059 1.00 0.00 C ATOM 0 H VAL A 98 11.044 -10.811 3.508 1.00 0.00 H new ATOM 0 HA VAL A 98 11.167 -8.146 4.356 1.00 0.00 H new ATOM 0 HB VAL A 98 9.153 -9.394 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.759 -10.654 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.338 -11.431 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.037 -10.515 6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.532 -8.215 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 98 8.813 -7.956 6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.935 -7.193 4.519 1.00 0.00 H new ATOM 1469 N SER A 99 11.120 -10.366 6.817 1.00 0.00 N ATOM 1470 CA SER A 99 11.392 -10.528 8.242 1.00 0.00 C ATOM 1471 C SER A 99 12.822 -10.135 8.606 1.00 0.00 C ATOM 1472 O SER A 99 13.178 -10.109 9.784 1.00 0.00 O ATOM 1473 CB SER A 99 11.126 -11.969 8.675 1.00 0.00 C ATOM 1474 OG SER A 99 10.195 -12.600 7.813 1.00 0.00 O ATOM 0 H SER A 99 10.874 -11.229 6.333 1.00 0.00 H new ATOM 0 HA SER A 99 10.718 -9.856 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.061 -12.529 8.677 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.745 -11.980 9.696 1.00 0.00 H new ATOM 0 HG SER A 99 10.668 -13.219 7.218 1.00 0.00 H new ATOM 1480 N LYS A 100 13.642 -9.839 7.605 1.00 0.00 N ATOM 1481 CA LYS A 100 15.025 -9.463 7.853 1.00 0.00 C ATOM 1482 C LYS A 100 15.123 -8.193 8.682 1.00 0.00 C ATOM 1483 O LYS A 100 15.796 -8.168 9.714 1.00 0.00 O ATOM 1484 CB LYS A 100 15.775 -9.287 6.530 1.00 0.00 C ATOM 1485 CG LYS A 100 17.236 -8.901 6.701 1.00 0.00 C ATOM 1486 CD LYS A 100 17.428 -7.392 6.661 1.00 0.00 C ATOM 1487 CE LYS A 100 16.947 -6.799 5.346 1.00 0.00 C ATOM 1488 NZ LYS A 100 17.351 -7.630 4.178 1.00 0.00 N ATOM 0 H LYS A 100 13.374 -9.852 6.621 1.00 0.00 H new ATOM 0 HA LYS A 100 15.487 -10.269 8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 100 15.718 -10.217 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.273 -8.522 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 100 17.607 -9.290 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 100 17.829 -9.364 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 100 16.884 -6.934 7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 100 18.482 -7.155 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.861 -6.706 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 100 17.351 -5.793 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.202 -7.092 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 18.356 -7.883 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.777 -8.497 4.154 1.00 0.00 H new ATOM 1502 N ASN A 101 14.469 -7.138 8.228 1.00 0.00 N ATOM 1503 CA ASN A 101 14.508 -5.872 8.938 1.00 0.00 C ATOM 1504 C ASN A 101 13.507 -5.849 10.087 1.00 0.00 C ATOM 1505 O ASN A 101 13.849 -5.459 11.203 1.00 0.00 O ATOM 1506 CB ASN A 101 14.241 -4.711 7.978 1.00 0.00 C ATOM 1507 CG ASN A 101 12.955 -4.882 7.194 1.00 0.00 C ATOM 1508 OD1 ASN A 101 11.901 -4.389 7.596 1.00 0.00 O ATOM 1509 ND2 ASN A 101 13.035 -5.576 6.066 1.00 0.00 N ATOM 0 H ASN A 101 13.908 -7.132 7.376 1.00 0.00 H new ATOM 0 HA ASN A 101 15.507 -5.758 9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 101 14.195 -3.781 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 101 15.076 -4.621 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 101 12.202 -5.718 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 101 13.929 -5.967 5.770 1.00 0.00 H new ATOM 1516 N ILE A 102 12.267 -6.252 9.809 1.00 0.00 N ATOM 1517 CA ILE A 102 11.215 -6.258 10.813 1.00 0.00 C ATOM 1518 C ILE A 102 11.211 -4.963 11.615 1.00 0.00 C ATOM 1519 O ILE A 102 11.992 -4.782 12.549 1.00 0.00 O ATOM 1520 CB ILE A 102 11.322 -7.469 11.769 1.00 0.00 C ATOM 1521 CG1 ILE A 102 10.987 -8.764 11.016 1.00 0.00 C ATOM 1522 CG2 ILE A 102 10.403 -7.295 12.981 1.00 0.00 C ATOM 1523 CD1 ILE A 102 9.499 -9.012 10.834 1.00 0.00 C ATOM 0 H ILE A 102 11.970 -6.579 8.890 1.00 0.00 H new ATOM 0 HA ILE A 102 10.273 -6.343 10.271 1.00 0.00 H new ATOM 0 HB ILE A 102 12.347 -7.530 12.135 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.461 -8.734 10.035 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.421 -9.607 11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 102 10.498 -8.160 13.637 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.686 -6.394 13.526 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.370 -7.206 12.645 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.349 -9.946 10.293 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.019 -9.077 11.810 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.060 -8.191 10.268 1.00 0.00 H new ATOM 1535 N GLY A 103 10.304 -4.078 11.244 1.00 0.00 N ATOM 1536 CA GLY A 103 10.173 -2.805 11.930 1.00 0.00 C ATOM 1537 C GLY A 103 11.029 -1.710 11.322 1.00 0.00 C ATOM 1538 O GLY A 103 11.371 -0.739 11.996 1.00 0.00 O ATOM 0 H GLY A 103 9.649 -4.216 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.128 -2.494 11.910 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.448 -2.933 12.977 1.00 0.00 H new ATOM 1542 N SER A 104 11.373 -1.861 10.047 1.00 0.00 N ATOM 1543 CA SER A 104 12.189 -0.868 9.360 1.00 0.00 C ATOM 1544 C SER A 104 11.323 0.046 8.501 1.00 0.00 C ATOM 1545 O SER A 104 10.735 -0.387 7.511 1.00 0.00 O ATOM 1546 CB SER A 104 13.245 -1.550 8.491 1.00 0.00 C ATOM 1547 OG SER A 104 13.783 -0.650 7.537 1.00 0.00 O ATOM 0 H SER A 104 11.101 -2.658 9.471 1.00 0.00 H new ATOM 0 HA SER A 104 12.689 -0.264 10.117 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.045 -1.936 9.122 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.802 -2.405 7.979 1.00 0.00 H new ATOM 0 HG SER A 104 14.648 -0.986 7.221 1.00 0.00 H new ATOM 1553 N THR A 105 11.251 1.314 8.889 1.00 0.00 N ATOM 1554 CA THR A 105 10.458 2.294 8.156 1.00 0.00 C ATOM 1555 C THR A 105 11.077 2.602 6.795 1.00 0.00 C ATOM 1556 O THR A 105 10.440 3.217 5.939 1.00 0.00 O ATOM 1557 CB THR A 105 10.321 3.577 8.976 1.00 0.00 C ATOM 1558 OG1 THR A 105 11.539 4.299 8.985 1.00 0.00 O ATOM 1559 CG2 THR A 105 9.926 3.321 10.414 1.00 0.00 C ATOM 0 H THR A 105 11.732 1.688 9.707 1.00 0.00 H new ATOM 0 HA THR A 105 9.469 1.869 7.986 1.00 0.00 H new ATOM 0 HB THR A 105 9.529 4.150 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 105 11.430 5.117 9.513 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.845 4.270 10.944 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.965 2.807 10.441 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.683 2.701 10.894 1.00 0.00 H new ATOM 1567 N THR A 106 12.318 2.165 6.594 1.00 0.00 N ATOM 1568 CA THR A 106 13.012 2.391 5.331 1.00 0.00 C ATOM 1569 C THR A 106 12.775 1.228 4.371 1.00 0.00 C ATOM 1570 O THR A 106 12.848 1.393 3.153 1.00 0.00 O ATOM 1571 CB THR A 106 14.511 2.571 5.574 1.00 0.00 C ATOM 1572 OG1 THR A 106 15.122 1.332 5.884 1.00 0.00 O ATOM 1573 CG2 THR A 106 14.824 3.532 6.701 1.00 0.00 C ATOM 0 H THR A 106 12.862 1.653 7.289 1.00 0.00 H new ATOM 0 HA THR A 106 12.615 3.300 4.880 1.00 0.00 H new ATOM 0 HB THR A 106 14.906 2.984 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 106 14.514 0.796 6.436 1.00 0.00 H new ATOM 0 HG21 THR A 106 15.904 3.614 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.409 4.513 6.468 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.384 3.162 7.627 1.00 0.00 H new ATOM 1581 N ASN A 107 12.492 0.053 4.926 1.00 0.00 N ATOM 1582 CA ASN A 107 12.245 -1.136 4.119 1.00 0.00 C ATOM 1583 C ASN A 107 10.748 -1.357 3.917 1.00 0.00 C ATOM 1584 O ASN A 107 10.215 -2.416 4.246 1.00 0.00 O ATOM 1585 CB ASN A 107 12.872 -2.365 4.781 1.00 0.00 C ATOM 1586 CG ASN A 107 13.448 -3.336 3.769 1.00 0.00 C ATOM 1587 OD1 ASN A 107 12.572 -4.040 3.059 1.00 0.00 O flip ATOM 1588 ND2 ASN A 107 14.665 -3.454 3.625 1.00 0.00 N flip ATOM 0 H ASN A 107 12.428 -0.100 5.932 1.00 0.00 H new ATOM 0 HA ASN A 107 12.704 -0.984 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.660 -2.045 5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.119 -2.875 5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.302 -2.894 4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.036 -4.112 2.940 1.00 0.00 H new ATOM 1595 N THR A 108 10.078 -0.350 3.368 1.00 0.00 N ATOM 1596 CA THR A 108 8.644 -0.426 3.112 1.00 0.00 C ATOM 1597 C THR A 108 8.368 -0.960 1.709 1.00 0.00 C ATOM 1598 O THR A 108 7.213 -1.111 1.309 1.00 0.00 O ATOM 1599 CB THR A 108 8.002 0.951 3.277 1.00 0.00 C ATOM 1600 OG1 THR A 108 8.253 1.762 2.142 1.00 0.00 O ATOM 1601 CG2 THR A 108 8.498 1.700 4.494 1.00 0.00 C ATOM 0 H THR A 108 10.507 0.533 3.090 1.00 0.00 H new ATOM 0 HA THR A 108 8.208 -1.114 3.837 1.00 0.00 H new ATOM 0 HB THR A 108 6.936 0.759 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.832 2.638 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.002 2.669 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 108 8.274 1.124 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.575 1.847 4.416 1.00 0.00 H new ATOM 1609 N SER A 109 9.433 -1.228 0.960 1.00 0.00 N ATOM 1610 CA SER A 109 9.308 -1.727 -0.400 1.00 0.00 C ATOM 1611 C SER A 109 8.713 -3.133 -0.443 1.00 0.00 C ATOM 1612 O SER A 109 8.357 -3.620 -1.517 1.00 0.00 O ATOM 1613 CB SER A 109 10.673 -1.724 -1.090 1.00 0.00 C ATOM 1614 OG SER A 109 10.954 -0.456 -1.659 1.00 0.00 O ATOM 0 H SER A 109 10.395 -1.106 1.276 1.00 0.00 H new ATOM 0 HA SER A 109 8.626 -1.061 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.449 -1.983 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.693 -2.488 -1.868 1.00 0.00 H new ATOM 0 HG SER A 109 11.833 -0.479 -2.093 1.00 0.00 H new ATOM 1620 N LEU A 110 8.608 -3.795 0.710 1.00 0.00 N ATOM 1621 CA LEU A 110 8.055 -5.145 0.732 1.00 0.00 C ATOM 1622 C LEU A 110 7.279 -5.459 2.011 1.00 0.00 C ATOM 1623 O LEU A 110 7.421 -6.545 2.573 1.00 0.00 O ATOM 1624 CB LEU A 110 9.160 -6.185 0.526 1.00 0.00 C ATOM 1625 CG LEU A 110 10.418 -6.021 1.379 1.00 0.00 C ATOM 1626 CD1 LEU A 110 10.077 -6.005 2.865 1.00 0.00 C ATOM 1627 CD2 LEU A 110 11.394 -7.146 1.067 1.00 0.00 C ATOM 0 H LEU A 110 8.891 -3.428 1.619 1.00 0.00 H new ATOM 0 HA LEU A 110 7.344 -5.194 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 110 8.741 -7.172 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.454 -6.167 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 110 10.881 -5.065 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 110 10.991 -5.887 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.404 -5.174 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.592 -6.942 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 110 12.291 -7.029 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.927 -8.105 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.664 -7.111 0.012 1.00 0.00 H new ATOM 1639 N ASP A 111 6.428 -4.537 2.453 1.00 0.00 N ATOM 1640 CA ASP A 111 5.625 -4.763 3.623 1.00 0.00 C ATOM 1641 C ASP A 111 4.188 -4.936 3.170 1.00 0.00 C ATOM 1642 O ASP A 111 3.577 -3.995 2.665 1.00 0.00 O ATOM 1643 CB ASP A 111 5.738 -3.583 4.597 1.00 0.00 C ATOM 1644 CG ASP A 111 7.132 -2.990 4.672 1.00 0.00 C ATOM 1645 OD1 ASP A 111 7.973 -3.320 3.809 1.00 0.00 O ATOM 1646 OD2 ASP A 111 7.386 -2.194 5.600 1.00 0.00 O ATOM 0 H ASP A 111 6.286 -3.630 2.009 1.00 0.00 H new ATOM 0 HA ASP A 111 5.971 -5.654 4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 111 5.037 -2.805 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 111 5.439 -3.914 5.592 1.00 0.00 H new ATOM 1651 N LEU A 112 3.646 -6.137 3.335 1.00 0.00 N ATOM 1652 CA LEU A 112 2.269 -6.409 2.923 1.00 0.00 C ATOM 1653 C LEU A 112 1.327 -5.298 3.394 1.00 0.00 C ATOM 1654 O LEU A 112 0.218 -5.145 2.882 1.00 0.00 O ATOM 1655 CB LEU A 112 1.787 -7.748 3.484 1.00 0.00 C ATOM 1656 CG LEU A 112 2.812 -8.886 3.496 1.00 0.00 C ATOM 1657 CD1 LEU A 112 2.283 -10.072 4.297 1.00 0.00 C ATOM 1658 CD2 LEU A 112 3.156 -9.307 2.077 1.00 0.00 C ATOM 0 H LEU A 112 4.132 -6.934 3.747 1.00 0.00 H new ATOM 0 HA LEU A 112 2.257 -6.450 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.442 -7.587 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.923 -8.071 2.903 1.00 0.00 H new ATOM 0 HG LEU A 112 3.722 -8.527 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.024 -10.872 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.088 -9.760 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.359 -10.433 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.886 -10.116 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.254 -9.649 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.576 -8.458 1.537 1.00 0.00 H new ATOM 1670 N ASN A 113 1.782 -4.540 4.384 1.00 0.00 N ATOM 1671 CA ASN A 113 1.013 -3.454 4.960 1.00 0.00 C ATOM 1672 C ASN A 113 1.613 -2.098 4.618 1.00 0.00 C ATOM 1673 O ASN A 113 0.946 -1.071 4.733 1.00 0.00 O ATOM 1674 CB ASN A 113 1.021 -3.615 6.468 1.00 0.00 C ATOM 1675 CG ASN A 113 -0.263 -4.222 6.998 1.00 0.00 C ATOM 1676 OD1 ASN A 113 -0.855 -5.098 6.368 1.00 0.00 O ATOM 1677 ND2 ASN A 113 -0.701 -3.757 8.162 1.00 0.00 N ATOM 0 H ASN A 113 2.701 -4.666 4.809 1.00 0.00 H new ATOM 0 HA ASN A 113 0.002 -3.493 4.555 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.862 -4.245 6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.177 -2.641 6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.560 -4.127 8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.178 -3.030 8.650 1.00 0.00 H new ATOM 1684 N LYS A 114 2.888 -2.099 4.242 1.00 0.00 N ATOM 1685 CA LYS A 114 3.601 -0.868 3.927 1.00 0.00 C ATOM 1686 C LYS A 114 3.358 0.162 5.019 1.00 0.00 C ATOM 1687 O LYS A 114 3.180 1.349 4.746 1.00 0.00 O ATOM 1688 CB LYS A 114 3.181 -0.319 2.562 1.00 0.00 C ATOM 1689 CG LYS A 114 1.712 0.051 2.467 1.00 0.00 C ATOM 1690 CD LYS A 114 1.390 0.693 1.131 1.00 0.00 C ATOM 1691 CE LYS A 114 2.184 1.973 0.919 1.00 0.00 C ATOM 1692 NZ LYS A 114 1.697 2.740 -0.261 1.00 0.00 N ATOM 0 H LYS A 114 3.451 -2.945 4.148 1.00 0.00 H new ATOM 0 HA LYS A 114 4.667 -1.089 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.782 0.562 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.407 -1.063 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.101 -0.842 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.455 0.737 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.609 -0.009 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.324 0.913 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.114 2.596 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.237 1.728 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 2.264 3.605 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.788 2.156 -1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.699 2.996 -0.121 1.00 0.00 H new ATOM 1706 N ASP A 115 3.351 -0.310 6.265 1.00 0.00 N ATOM 1707 CA ASP A 115 3.127 0.563 7.407 1.00 0.00 C ATOM 1708 C ASP A 115 4.442 1.164 7.901 1.00 0.00 C ATOM 1709 O ASP A 115 4.471 1.852 8.922 1.00 0.00 O ATOM 1710 CB ASP A 115 2.439 -0.209 8.538 1.00 0.00 C ATOM 1711 CG ASP A 115 2.142 0.665 9.740 1.00 0.00 C ATOM 1712 OD1 ASP A 115 1.079 1.321 9.749 1.00 0.00 O ATOM 1713 OD2 ASP A 115 2.973 0.696 10.672 1.00 0.00 O ATOM 0 H ASP A 115 3.498 -1.290 6.505 1.00 0.00 H new ATOM 0 HA ASP A 115 2.477 1.379 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 115 1.509 -0.639 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 115 3.074 -1.040 8.845 1.00 0.00 H new ATOM 1718 N GLY A 116 5.529 0.905 7.174 1.00 0.00 N ATOM 1719 CA GLY A 116 6.820 1.438 7.571 1.00 0.00 C ATOM 1720 C GLY A 116 7.432 0.665 8.720 1.00 0.00 C ATOM 1721 O GLY A 116 8.081 1.241 9.593 1.00 0.00 O ATOM 0 H GLY A 116 5.538 0.340 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.498 1.414 6.718 1.00 0.00 H new ATOM 0 HA3 GLY A 116 6.706 2.483 7.859 1.00 0.00 H new ATOM 1725 N SER A 117 7.220 -0.644 8.718 1.00 0.00 N ATOM 1726 CA SER A 117 7.749 -1.508 9.765 1.00 0.00 C ATOM 1727 C SER A 117 7.414 -2.953 9.482 1.00 0.00 C ATOM 1728 O SER A 117 6.268 -3.377 9.639 1.00 0.00 O ATOM 1729 CB SER A 117 7.179 -1.123 11.133 1.00 0.00 C ATOM 1730 OG SER A 117 8.145 -0.445 11.917 1.00 0.00 O ATOM 0 H SER A 117 6.684 -1.132 8.001 1.00 0.00 H new ATOM 0 HA SER A 117 8.831 -1.381 9.779 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.304 -0.487 11.000 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.845 -2.019 11.656 1.00 0.00 H new ATOM 0 HG SER A 117 8.465 0.344 11.432 1.00 0.00 H new ATOM 1736 N ILE A 118 8.416 -3.717 9.091 1.00 0.00 N ATOM 1737 CA ILE A 118 8.205 -5.117 8.826 1.00 0.00 C ATOM 1738 C ILE A 118 7.838 -5.818 10.115 1.00 0.00 C ATOM 1739 O ILE A 118 8.641 -5.985 11.025 1.00 0.00 O ATOM 1740 CB ILE A 118 9.430 -5.766 8.152 1.00 0.00 C ATOM 1741 CG1 ILE A 118 9.489 -5.312 6.698 1.00 0.00 C ATOM 1742 CG2 ILE A 118 9.372 -7.289 8.239 1.00 0.00 C ATOM 1743 CD1 ILE A 118 8.135 -5.332 6.021 1.00 0.00 C ATOM 0 H ILE A 118 9.373 -3.391 8.952 1.00 0.00 H new ATOM 0 HA ILE A 118 7.381 -5.220 8.120 1.00 0.00 H new ATOM 0 HB ILE A 118 10.333 -5.449 8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.897 -4.302 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.174 -5.957 6.148 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.250 -7.715 7.754 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.352 -7.593 9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.472 -7.648 7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.240 -4.999 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.735 -6.346 6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.454 -4.665 6.550 1.00 0.00 H new ATOM 1755 N ASP A 119 6.586 -6.171 10.188 1.00 0.00 N ATOM 1756 CA ASP A 119 6.048 -6.816 11.380 1.00 0.00 C ATOM 1757 C ASP A 119 5.186 -8.032 11.035 1.00 0.00 C ATOM 1758 O ASP A 119 5.453 -8.740 10.065 1.00 0.00 O ATOM 1759 CB ASP A 119 5.261 -5.794 12.204 1.00 0.00 C ATOM 1760 CG ASP A 119 5.409 -6.014 13.697 1.00 0.00 C ATOM 1761 OD1 ASP A 119 6.513 -6.404 14.133 1.00 0.00 O ATOM 1762 OD2 ASP A 119 4.421 -5.797 14.430 1.00 0.00 O ATOM 0 H ASP A 119 5.907 -6.028 9.440 1.00 0.00 H new ATOM 0 HA ASP A 119 6.883 -7.187 11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.602 -4.790 11.953 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.206 -5.850 11.935 1.00 0.00 H new ATOM 1767 N GLU A 120 4.164 -8.279 11.849 1.00 0.00 N ATOM 1768 CA GLU A 120 3.273 -9.420 11.641 1.00 0.00 C ATOM 1769 C GLU A 120 2.436 -9.250 10.377 1.00 0.00 C ATOM 1770 O GLU A 120 1.975 -10.230 9.790 1.00 0.00 O ATOM 1771 CB GLU A 120 2.356 -9.602 12.851 1.00 0.00 C ATOM 1772 CG GLU A 120 3.098 -9.970 14.126 1.00 0.00 C ATOM 1773 CD GLU A 120 2.233 -10.748 15.099 1.00 0.00 C ATOM 1774 OE1 GLU A 120 1.280 -11.415 14.644 1.00 0.00 O ATOM 1775 OE2 GLU A 120 2.508 -10.689 16.316 1.00 0.00 O ATOM 0 H GLU A 120 3.931 -7.705 12.659 1.00 0.00 H new ATOM 0 HA GLU A 120 3.893 -10.308 11.520 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.800 -8.679 13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.625 -10.379 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 120 3.977 -10.563 13.873 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.455 -9.061 14.610 1.00 0.00 H new ATOM 1782 N TYR A 121 2.242 -8.005 9.962 1.00 0.00 N ATOM 1783 CA TYR A 121 1.461 -7.709 8.765 1.00 0.00 C ATOM 1784 C TYR A 121 2.179 -8.197 7.510 1.00 0.00 C ATOM 1785 O TYR A 121 1.575 -8.298 6.446 1.00 0.00 O ATOM 1786 CB TYR A 121 1.173 -6.203 8.638 1.00 0.00 C ATOM 1787 CG TYR A 121 1.725 -5.346 9.760 1.00 0.00 C ATOM 1788 CD1 TYR A 121 1.189 -5.412 11.041 1.00 0.00 C ATOM 1789 CD2 TYR A 121 2.779 -4.470 9.534 1.00 0.00 C ATOM 1790 CE1 TYR A 121 1.689 -4.629 12.064 1.00 0.00 C ATOM 1791 CE2 TYR A 121 3.285 -3.684 10.553 1.00 0.00 C ATOM 1792 CZ TYR A 121 2.736 -3.768 11.815 1.00 0.00 C ATOM 1793 OH TYR A 121 3.237 -2.987 12.831 1.00 0.00 O ATOM 0 H TYR A 121 2.614 -7.182 10.436 1.00 0.00 H new ATOM 0 HA TYR A 121 0.513 -8.238 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.586 -5.848 7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.094 -6.058 8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 121 0.369 -6.086 11.240 1.00 0.00 H new ATOM 0 HD2 TYR A 121 3.210 -4.402 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.261 -4.691 13.054 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.105 -3.008 10.361 1.00 0.00 H new ATOM 0 HH TYR A 121 3.973 -2.438 12.489 1.00 0.00 H new ATOM 1803 N GLU A 122 3.472 -8.487 7.640 1.00 0.00 N ATOM 1804 CA GLU A 122 4.275 -8.952 6.510 1.00 0.00 C ATOM 1805 C GLU A 122 4.300 -10.476 6.428 1.00 0.00 C ATOM 1806 O GLU A 122 4.559 -11.052 5.372 1.00 0.00 O ATOM 1807 CB GLU A 122 5.705 -8.431 6.620 1.00 0.00 C ATOM 1808 CG GLU A 122 5.842 -7.200 7.497 1.00 0.00 C ATOM 1809 CD GLU A 122 5.177 -5.975 6.902 1.00 0.00 C ATOM 1810 OE1 GLU A 122 4.600 -6.088 5.799 1.00 0.00 O ATOM 1811 OE2 GLU A 122 5.228 -4.904 7.541 1.00 0.00 O ATOM 0 H GLU A 122 3.987 -8.408 8.517 1.00 0.00 H new ATOM 0 HA GLU A 122 3.812 -8.563 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 122 6.340 -9.222 7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 122 6.075 -8.197 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.405 -7.406 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.900 -6.991 7.658 1.00 0.00 H new ATOM 1818 N ILE A 123 4.037 -11.112 7.550 1.00 0.00 N ATOM 1819 CA ILE A 123 4.028 -12.567 7.636 1.00 0.00 C ATOM 1820 C ILE A 123 2.614 -13.122 7.517 1.00 0.00 C ATOM 1821 O ILE A 123 2.384 -14.130 6.852 1.00 0.00 O ATOM 1822 CB ILE A 123 4.648 -13.068 8.961 1.00 0.00 C ATOM 1823 CG1 ILE A 123 5.595 -12.019 9.557 1.00 0.00 C ATOM 1824 CG2 ILE A 123 5.382 -14.381 8.737 1.00 0.00 C ATOM 1825 CD1 ILE A 123 6.844 -11.795 8.731 1.00 0.00 C ATOM 0 H ILE A 123 3.823 -10.641 8.429 1.00 0.00 H new ATOM 0 HA ILE A 123 4.631 -12.926 6.802 1.00 0.00 H new ATOM 0 HB ILE A 123 3.840 -13.235 9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 123 5.061 -11.074 9.657 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.884 -12.330 10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.813 -14.722 9.678 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.683 -15.130 8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 123 6.177 -14.233 8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.468 -11.041 9.211 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.400 -12.729 8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.565 -11.453 7.734 1.00 0.00 H new ATOM 1837 N SER A 124 1.681 -12.460 8.195 1.00 0.00 N ATOM 1838 CA SER A 124 0.272 -12.867 8.226 1.00 0.00 C ATOM 1839 C SER A 124 -0.212 -13.495 6.918 1.00 0.00 C ATOM 1840 O SER A 124 -1.063 -14.385 6.934 1.00 0.00 O ATOM 1841 CB SER A 124 -0.604 -11.662 8.569 1.00 0.00 C ATOM 1842 OG SER A 124 -0.319 -11.180 9.870 1.00 0.00 O ATOM 0 H SER A 124 1.878 -11.622 8.742 1.00 0.00 H new ATOM 0 HA SER A 124 0.188 -13.637 8.993 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.439 -10.869 7.840 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.655 -11.942 8.503 1.00 0.00 H new ATOM 0 HG SER A 124 0.258 -10.390 9.807 1.00 0.00 H new ATOM 1848 N PHE A 125 0.310 -13.032 5.789 1.00 0.00 N ATOM 1849 CA PHE A 125 -0.108 -13.564 4.495 1.00 0.00 C ATOM 1850 C PHE A 125 0.716 -14.782 4.087 1.00 0.00 C ATOM 1851 O PHE A 125 0.212 -15.905 4.058 1.00 0.00 O ATOM 1852 CB PHE A 125 0.000 -12.483 3.417 1.00 0.00 C ATOM 1853 CG PHE A 125 -0.316 -12.980 2.033 1.00 0.00 C ATOM 1854 CD1 PHE A 125 -1.402 -13.811 1.812 1.00 0.00 C ATOM 1855 CD2 PHE A 125 0.476 -12.617 0.954 1.00 0.00 C ATOM 1856 CE1 PHE A 125 -1.695 -14.271 0.542 1.00 0.00 C ATOM 1857 CE2 PHE A 125 0.188 -13.073 -0.318 1.00 0.00 C ATOM 1858 CZ PHE A 125 -0.898 -13.901 -0.525 1.00 0.00 C ATOM 0 H PHE A 125 1.016 -12.297 5.741 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.147 -13.880 4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.678 -11.666 3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.010 -12.073 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.028 -14.103 2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.327 -11.971 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -2.545 -14.918 0.384 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.812 -12.782 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.124 -14.259 -1.519 1.00 0.00 H new ATOM 1868 N ILE A 126 1.976 -14.545 3.749 1.00 0.00 N ATOM 1869 CA ILE A 126 2.872 -15.609 3.312 1.00 0.00 C ATOM 1870 C ILE A 126 3.179 -16.616 4.423 1.00 0.00 C ATOM 1871 O ILE A 126 3.802 -17.645 4.166 1.00 0.00 O ATOM 1872 CB ILE A 126 4.194 -15.034 2.771 1.00 0.00 C ATOM 1873 CG1 ILE A 126 3.912 -13.958 1.720 1.00 0.00 C ATOM 1874 CG2 ILE A 126 5.054 -16.143 2.181 1.00 0.00 C ATOM 1875 CD1 ILE A 126 4.914 -12.825 1.731 1.00 0.00 C ATOM 0 H ILE A 126 2.404 -13.619 3.769 1.00 0.00 H new ATOM 0 HA ILE A 126 2.347 -16.135 2.515 1.00 0.00 H new ATOM 0 HB ILE A 126 4.740 -14.578 3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 126 3.908 -14.419 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 126 2.914 -13.552 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.985 -15.720 1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 126 5.277 -16.880 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.517 -16.625 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 126 4.652 -12.100 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 126 4.902 -12.338 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.911 -13.219 1.534 1.00 0.00 H new ATOM 1887 N ASN A 127 2.755 -16.322 5.651 1.00 0.00 N ATOM 1888 CA ASN A 127 3.006 -17.219 6.782 1.00 0.00 C ATOM 1889 C ASN A 127 2.739 -18.674 6.411 1.00 0.00 C ATOM 1890 O ASN A 127 3.659 -19.490 6.361 1.00 0.00 O ATOM 1891 CB ASN A 127 2.139 -16.837 7.984 1.00 0.00 C ATOM 1892 CG ASN A 127 2.823 -17.146 9.301 1.00 0.00 C ATOM 1893 OD1 ASN A 127 3.320 -16.112 9.966 1.00 0.00 O flip ATOM 1894 ND2 ASN A 127 2.902 -18.303 9.716 1.00 0.00 N flip ATOM 0 H ASN A 127 2.239 -15.475 5.889 1.00 0.00 H new ATOM 0 HA ASN A 127 4.058 -17.113 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 127 1.905 -15.773 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 127 1.192 -17.374 7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 127 2.505 -19.068 9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 127 3.364 -18.496 10.605 1.00 0.00 H new ATOM 1901 N HIS A 128 1.474 -18.995 6.162 1.00 0.00 N ATOM 1902 CA HIS A 128 1.089 -20.355 5.805 1.00 0.00 C ATOM 1903 C HIS A 128 1.035 -20.541 4.292 1.00 0.00 C ATOM 1904 O HIS A 128 1.492 -21.558 3.772 1.00 0.00 O ATOM 1905 CB HIS A 128 -0.267 -20.703 6.423 1.00 0.00 C ATOM 1906 CG HIS A 128 -0.165 -21.277 7.803 1.00 0.00 C ATOM 1907 ND1 HIS A 128 0.286 -22.554 8.055 1.00 0.00 N ATOM 1908 CD2 HIS A 128 -0.460 -20.737 9.010 1.00 0.00 C ATOM 1909 CE1 HIS A 128 0.264 -22.778 9.358 1.00 0.00 C ATOM 1910 NE2 HIS A 128 -0.184 -21.691 9.958 1.00 0.00 N ATOM 0 H HIS A 128 0.699 -18.333 6.201 1.00 0.00 H new ATOM 0 HA HIS A 128 1.848 -21.029 6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -0.883 -19.805 6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -0.779 -21.417 5.778 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -0.841 -19.743 9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 128 0.562 -23.694 9.847 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -0.306 -21.578 10.964 1.00 0.00 H new ATOM 1919 N ARG A 129 0.473 -19.558 3.589 1.00 0.00 N ATOM 1920 CA ARG A 129 0.359 -19.620 2.130 1.00 0.00 C ATOM 1921 C ARG A 129 1.635 -20.175 1.504 1.00 0.00 C ATOM 1922 O ARG A 129 1.596 -20.858 0.481 1.00 0.00 O ATOM 1923 CB ARG A 129 0.060 -18.230 1.563 1.00 0.00 C ATOM 1924 CG ARG A 129 -1.351 -17.745 1.850 1.00 0.00 C ATOM 1925 CD ARG A 129 -2.384 -18.536 1.064 1.00 0.00 C ATOM 1926 NE ARG A 129 -3.749 -18.201 1.461 1.00 0.00 N ATOM 1927 CZ ARG A 129 -4.834 -18.654 0.839 1.00 0.00 C ATOM 1928 NH1 ARG A 129 -4.719 -19.463 -0.207 1.00 0.00 N ATOM 1929 NH2 ARG A 129 -6.039 -18.300 1.264 1.00 0.00 N ATOM 0 H ARG A 129 0.089 -18.709 4.005 1.00 0.00 H new ATOM 0 HA ARG A 129 -0.464 -20.291 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 129 0.772 -17.517 1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 129 0.217 -18.245 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -1.557 -17.834 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -1.432 -16.688 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -2.258 -18.339 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -2.214 -19.602 1.214 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.878 -17.583 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.795 -19.741 -0.538 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.555 -19.807 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -6.134 -17.680 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -6.871 -18.648 0.787 1.00 0.00 H new ATOM 1943 N ILE A 130 2.763 -19.876 2.136 1.00 0.00 N ATOM 1944 CA ILE A 130 4.060 -20.341 1.664 1.00 0.00 C ATOM 1945 C ILE A 130 4.132 -21.868 1.665 1.00 0.00 C ATOM 1946 O ILE A 130 4.574 -22.477 0.691 1.00 0.00 O ATOM 1947 CB ILE A 130 5.197 -19.777 2.542 1.00 0.00 C ATOM 1948 CG1 ILE A 130 6.561 -20.324 2.082 1.00 0.00 C ATOM 1949 CG2 ILE A 130 4.934 -20.096 4.009 1.00 0.00 C ATOM 1950 CD1 ILE A 130 7.326 -21.072 3.156 1.00 0.00 C ATOM 0 H ILE A 130 2.805 -19.309 2.983 1.00 0.00 H new ATOM 0 HA ILE A 130 4.182 -19.982 0.642 1.00 0.00 H new ATOM 0 HB ILE A 130 5.224 -18.693 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 130 6.405 -20.989 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 130 7.172 -19.494 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 130 5.742 -19.694 4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 130 3.989 -19.647 4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.882 -21.177 4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 130 8.274 -21.424 2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 130 7.517 -20.406 3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 130 6.738 -21.925 3.494 1.00 0.00 H new