USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 812 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 18 ASN : amide:sc= 0 X(o=-5.9,f=-5.9) USER MOD Set 1.2: A 22 ASN : amide:sc= -6! C(o=-5.9!,f=-16!) USER MOD Set 1.3: A 81 THR OG1 : rot -150:sc= 0.0762 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -2.1 K(o=-2.4,f=-3.9) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.323 K(o=-2.4,f=-4.6!) USER MOD Set 3.1: A 61 MET CE :methyl -117:sc= -1.13 (180deg=-5.8!) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.0889 K(o=-1.2,f=-2.9) USER MOD Set 3.3: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 6 ASN : amide:sc= -3.62! C(o=-8.3!,f=-12!) USER MOD Set 4.2: A 48 MET CE :methyl -167:sc= -4.64! (180deg=-4.74!) USER MOD Set 5.1: A 24 HIS : no HD1:sc= -0.0719 K(o=-2,f=-4.4) USER MOD Set 5.2: A 74 HIS : no HD1:sc= -1.92 K(o=-2,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.00621 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.86 X(o=-1.9,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -14.2! C(o=-14!,f=-17!) USER MOD Single : A 21 LYS NZ :NH3+ 144:sc= -0.102 (180deg=-1.64!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.205) USER MOD Single : A 29 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.81) USER MOD Single : A 31 HIS : no HD1:sc= -0.0578 K(o=-0.058,f=-0.6) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.358 F(o=-1.3,f=-0.36) USER MOD Single : A 38 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -2.48 F(o=-6!,f=-2.5) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 53 SER OG : rot 61:sc= -0.86 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= -4.71! (180deg=-5.22!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 60 MET CE :methyl 177:sc= 0 (180deg=-0.0046) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.15!) USER MOD Single : A 73 ASN : amide:sc= 0.00474 X(o=0.0047,f=0) USER MOD Single : A 76 GLN : amide:sc= 1.24 K(o=1.2,f=-0.27) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.887 F(o=-3.1!,f=-0.89) USER MOD Single : A 88 ASN : amide:sc= -0.39 K(o=-0.39,f=-0.95) USER MOD Single : A 94 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.72) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.472 -22.356 5.414 1.00 0.00 N ATOM 2 CA MET A 1 -2.101 -21.197 4.732 1.00 0.00 C ATOM 3 C MET A 1 -1.223 -19.953 4.833 1.00 0.00 C ATOM 4 O MET A 1 -0.623 -19.688 5.875 1.00 0.00 O ATOM 5 CB MET A 1 -3.466 -20.936 5.372 1.00 0.00 C ATOM 6 CG MET A 1 -4.605 -21.687 4.703 1.00 0.00 C ATOM 7 SD MET A 1 -6.138 -20.738 4.667 1.00 0.00 S ATOM 8 CE MET A 1 -7.075 -21.652 3.446 1.00 0.00 C ATOM 0 H1 MET A 1 -2.180 -22.837 6.005 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.105 -23.020 4.703 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.690 -22.024 6.013 1.00 0.00 H new ATOM 0 HA MET A 1 -2.221 -21.427 3.673 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.425 -21.218 6.424 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.676 -19.867 5.336 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.317 -21.943 3.683 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.776 -22.625 5.231 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.051 -21.186 3.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.538 -21.648 2.497 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.207 -22.680 3.784 1.00 0.00 H new ATOM 20 N TYR A 2 -1.151 -19.196 3.743 1.00 0.00 N ATOM 21 CA TYR A 2 -0.345 -17.982 3.706 1.00 0.00 C ATOM 22 C TYR A 2 -1.203 -16.752 3.988 1.00 0.00 C ATOM 23 O TYR A 2 -1.764 -16.153 3.072 1.00 0.00 O ATOM 24 CB TYR A 2 0.338 -17.843 2.343 1.00 0.00 C ATOM 25 CG TYR A 2 1.309 -18.961 2.032 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.881 -20.281 1.960 1.00 0.00 C ATOM 27 CD2 TYR A 2 2.656 -18.696 1.815 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.766 -21.304 1.681 1.00 0.00 C ATOM 29 CE2 TYR A 2 3.547 -19.715 1.535 1.00 0.00 C ATOM 30 CZ TYR A 2 3.098 -21.016 1.469 1.00 0.00 C ATOM 31 OH TYR A 2 3.982 -22.033 1.192 1.00 0.00 O ATOM 0 H TYR A 2 -1.642 -19.402 2.873 1.00 0.00 H new ATOM 0 HA TYR A 2 0.418 -18.055 4.481 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.425 -17.810 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.869 -16.892 2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.161 -20.511 2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 2 3.012 -17.678 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.417 -22.325 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 2 4.591 -19.492 1.369 1.00 0.00 H new ATOM 0 HH TYR A 2 4.880 -21.661 1.068 1.00 0.00 H new ATOM 41 N GLY A 3 -1.302 -16.382 5.261 1.00 0.00 N ATOM 42 CA GLY A 3 -2.096 -15.228 5.638 1.00 0.00 C ATOM 43 C GLY A 3 -1.364 -14.282 6.571 1.00 0.00 C ATOM 44 O GLY A 3 -1.936 -13.294 7.031 1.00 0.00 O ATOM 0 H GLY A 3 -0.846 -16.861 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.390 -14.687 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.013 -15.567 6.120 1.00 0.00 H new ATOM 48 N LYS A 4 -0.098 -14.577 6.854 1.00 0.00 N ATOM 49 CA LYS A 4 0.697 -13.732 7.736 1.00 0.00 C ATOM 50 C LYS A 4 1.265 -12.552 6.986 1.00 0.00 C ATOM 51 O LYS A 4 1.590 -11.528 7.587 1.00 0.00 O ATOM 52 CB LYS A 4 1.833 -14.523 8.376 1.00 0.00 C ATOM 53 CG LYS A 4 2.529 -13.781 9.505 1.00 0.00 C ATOM 54 CD LYS A 4 1.642 -13.673 10.733 1.00 0.00 C ATOM 55 CE LYS A 4 2.215 -12.699 11.751 1.00 0.00 C ATOM 56 NZ LYS A 4 3.398 -13.265 12.456 1.00 0.00 N ATOM 0 H LYS A 4 0.396 -15.390 6.487 1.00 0.00 H new ATOM 0 HA LYS A 4 0.035 -13.368 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.439 -15.464 8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.567 -14.774 7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.452 -14.298 9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.808 -12.783 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.646 -13.346 10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.531 -14.656 11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.500 -11.775 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.447 -12.442 12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.759 -12.571 13.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.121 -14.134 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.142 -13.487 11.763 1.00 0.00 H new ATOM 70 N LEU A 5 1.360 -12.675 5.669 1.00 0.00 N ATOM 71 CA LEU A 5 1.861 -11.578 4.867 1.00 0.00 C ATOM 72 C LEU A 5 1.098 -10.306 5.220 1.00 0.00 C ATOM 73 O LEU A 5 1.585 -9.195 5.013 1.00 0.00 O ATOM 74 CB LEU A 5 1.730 -11.889 3.378 1.00 0.00 C ATOM 75 CG LEU A 5 2.894 -11.384 2.530 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.062 -9.889 2.730 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.181 -12.114 2.894 1.00 0.00 C ATOM 0 H LEU A 5 1.100 -13.510 5.144 1.00 0.00 H new ATOM 0 HA LEU A 5 2.920 -11.434 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.643 -12.968 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.805 -11.448 3.006 1.00 0.00 H new ATOM 0 HG LEU A 5 2.676 -11.582 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.894 -9.532 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.148 -9.377 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.265 -9.683 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.999 -11.739 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.411 -11.943 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.055 -13.182 2.719 1.00 0.00 H new ATOM 89 N ASN A 6 -0.101 -10.487 5.781 1.00 0.00 N ATOM 90 CA ASN A 6 -0.927 -9.369 6.189 1.00 0.00 C ATOM 91 C ASN A 6 -0.236 -8.554 7.272 1.00 0.00 C ATOM 92 O ASN A 6 -0.281 -7.324 7.257 1.00 0.00 O ATOM 93 CB ASN A 6 -2.276 -9.852 6.697 1.00 0.00 C ATOM 94 CG ASN A 6 -3.401 -8.900 6.343 1.00 0.00 C ATOM 95 OD1 ASN A 6 -3.547 -8.492 5.191 1.00 0.00 O ATOM 96 ND2 ASN A 6 -4.206 -8.540 7.338 1.00 0.00 N ATOM 0 H ASN A 6 -0.514 -11.403 5.959 1.00 0.00 H new ATOM 0 HA ASN A 6 -1.084 -8.736 5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.489 -10.835 6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.232 -9.972 7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -4.981 -7.901 7.161 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -4.048 -8.903 8.278 1.00 0.00 H new ATOM 103 N ASP A 7 0.414 -9.242 8.208 1.00 0.00 N ATOM 104 CA ASP A 7 1.125 -8.565 9.286 1.00 0.00 C ATOM 105 C ASP A 7 2.040 -7.494 8.706 1.00 0.00 C ATOM 106 O ASP A 7 2.290 -6.463 9.329 1.00 0.00 O ATOM 107 CB ASP A 7 1.936 -9.567 10.109 1.00 0.00 C ATOM 108 CG ASP A 7 1.793 -9.342 11.601 1.00 0.00 C ATOM 109 OD1 ASP A 7 0.797 -9.824 12.181 1.00 0.00 O ATOM 110 OD2 ASP A 7 2.676 -8.682 12.190 1.00 0.00 O ATOM 0 H ASP A 7 0.462 -10.260 8.241 1.00 0.00 H new ATOM 0 HA ASP A 7 0.396 -8.093 9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.613 -10.579 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.988 -9.493 9.833 1.00 0.00 H new ATOM 115 N LEU A 8 2.514 -7.747 7.490 1.00 0.00 N ATOM 116 CA LEU A 8 3.378 -6.811 6.792 1.00 0.00 C ATOM 117 C LEU A 8 2.537 -5.782 6.050 1.00 0.00 C ATOM 118 O LEU A 8 2.974 -4.654 5.826 1.00 0.00 O ATOM 119 CB LEU A 8 4.284 -7.553 5.806 1.00 0.00 C ATOM 120 CG LEU A 8 5.216 -6.666 4.971 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.448 -5.954 3.867 1.00 0.00 C ATOM 122 CD2 LEU A 8 5.937 -5.661 5.858 1.00 0.00 C ATOM 0 H LEU A 8 2.311 -8.599 6.968 1.00 0.00 H new ATOM 0 HA LEU A 8 4.003 -6.301 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.892 -8.266 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.657 -8.131 5.128 1.00 0.00 H new ATOM 0 HG LEU A 8 5.962 -7.308 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.133 -5.332 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.987 -6.692 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.673 -5.327 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.593 -5.041 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.205 -5.029 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.530 -6.192 6.603 1.00 0.00 H new ATOM 134 N LEU A 9 1.322 -6.179 5.668 1.00 0.00 N ATOM 135 CA LEU A 9 0.430 -5.282 4.952 1.00 0.00 C ATOM 136 C LEU A 9 -0.092 -4.175 5.871 1.00 0.00 C ATOM 137 O LEU A 9 -0.671 -3.194 5.408 1.00 0.00 O ATOM 138 CB LEU A 9 -0.745 -6.060 4.361 1.00 0.00 C ATOM 139 CG LEU A 9 -0.507 -6.621 2.959 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.660 -7.516 2.541 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.317 -5.489 1.961 1.00 0.00 C ATOM 0 H LEU A 9 0.941 -7.109 5.843 1.00 0.00 H new ATOM 0 HA LEU A 9 0.998 -4.821 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.988 -6.885 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.617 -5.406 4.331 1.00 0.00 H new ATOM 0 HG LEU A 9 0.403 -7.222 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.473 -7.906 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.750 -8.345 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.585 -6.940 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.149 -5.904 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.209 -4.863 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.543 -4.887 2.253 1.00 0.00 H new ATOM 153 N GLU A 10 0.106 -4.343 7.178 1.00 0.00 N ATOM 154 CA GLU A 10 -0.354 -3.358 8.152 1.00 0.00 C ATOM 155 C GLU A 10 0.543 -2.124 8.159 1.00 0.00 C ATOM 156 O GLU A 10 0.060 -0.994 8.229 1.00 0.00 O ATOM 157 CB GLU A 10 -0.397 -3.978 9.549 1.00 0.00 C ATOM 158 CG GLU A 10 -1.509 -5.000 9.728 1.00 0.00 C ATOM 159 CD GLU A 10 -2.730 -4.418 10.413 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.598 -3.946 11.561 1.00 0.00 O ATOM 161 OE2 GLU A 10 -3.818 -4.434 9.801 1.00 0.00 O ATOM 0 H GLU A 10 0.580 -5.149 7.584 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.358 -3.047 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.561 -4.456 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.522 -3.185 10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.797 -5.393 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.135 -5.840 10.313 1.00 0.00 H new ATOM 168 N ASP A 11 1.852 -2.347 8.091 1.00 0.00 N ATOM 169 CA ASP A 11 2.819 -1.252 8.095 1.00 0.00 C ATOM 170 C ASP A 11 2.544 -0.269 6.960 1.00 0.00 C ATOM 171 O ASP A 11 2.511 0.944 7.169 1.00 0.00 O ATOM 172 CB ASP A 11 4.241 -1.803 7.974 1.00 0.00 C ATOM 173 CG ASP A 11 5.282 -0.837 8.508 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.110 -0.347 9.644 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.268 -0.572 7.789 1.00 0.00 O ATOM 0 H ASP A 11 2.269 -3.276 8.032 1.00 0.00 H new ATOM 0 HA ASP A 11 2.719 -0.719 9.040 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.310 -2.745 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.455 -2.022 6.928 1.00 0.00 H new ATOM 180 N LEU A 12 2.351 -0.801 5.757 1.00 0.00 N ATOM 181 CA LEU A 12 2.082 0.019 4.585 1.00 0.00 C ATOM 182 C LEU A 12 0.887 0.929 4.830 1.00 0.00 C ATOM 183 O LEU A 12 0.999 2.150 4.749 1.00 0.00 O ATOM 184 CB LEU A 12 1.860 -0.882 3.350 1.00 0.00 C ATOM 185 CG LEU A 12 0.496 -0.779 2.633 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.683 -0.762 1.125 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.410 -1.935 3.033 1.00 0.00 C ATOM 0 H LEU A 12 2.377 -1.803 5.570 1.00 0.00 H new ATOM 0 HA LEU A 12 2.945 0.656 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.641 -0.656 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.001 -1.918 3.659 1.00 0.00 H new ATOM 0 HG LEU A 12 0.025 0.156 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.290 -0.689 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.295 0.095 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.179 -1.680 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.366 -1.844 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.062 -2.879 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.576 -1.912 4.110 1.00 0.00 H new ATOM 199 N GLN A 13 -0.255 0.327 5.130 1.00 0.00 N ATOM 200 CA GLN A 13 -1.474 1.089 5.379 1.00 0.00 C ATOM 201 C GLN A 13 -1.237 2.169 6.428 1.00 0.00 C ATOM 202 O GLN A 13 -1.791 3.264 6.343 1.00 0.00 O ATOM 203 CB GLN A 13 -2.604 0.158 5.824 1.00 0.00 C ATOM 204 CG GLN A 13 -3.992 0.740 5.608 1.00 0.00 C ATOM 205 CD GLN A 13 -4.939 0.427 6.749 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.309 1.309 7.525 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.338 -0.835 6.858 1.00 0.00 N ATOM 0 H GLN A 13 -0.365 -0.684 5.207 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.765 1.575 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.525 -0.783 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.477 -0.075 6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.915 1.821 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.406 0.348 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.007 -1.534 6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.976 -1.105 7.607 1.00 0.00 H new ATOM 216 N GLU A 14 -0.396 1.857 7.410 1.00 0.00 N ATOM 217 CA GLU A 14 -0.072 2.808 8.465 1.00 0.00 C ATOM 218 C GLU A 14 0.929 3.830 7.953 1.00 0.00 C ATOM 219 O GLU A 14 0.959 4.972 8.412 1.00 0.00 O ATOM 220 CB GLU A 14 0.491 2.081 9.689 1.00 0.00 C ATOM 221 CG GLU A 14 -0.162 2.498 10.997 1.00 0.00 C ATOM 222 CD GLU A 14 -1.163 1.477 11.499 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.815 0.278 11.548 1.00 0.00 O ATOM 224 OE2 GLU A 14 -2.296 1.874 11.844 1.00 0.00 O ATOM 0 H GLU A 14 0.072 0.955 7.496 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.985 3.324 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.363 1.007 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.563 2.268 9.752 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.609 2.647 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.663 3.456 10.859 1.00 0.00 H new ATOM 231 N VAL A 15 1.740 3.417 6.985 1.00 0.00 N ATOM 232 CA VAL A 15 2.729 4.302 6.401 1.00 0.00 C ATOM 233 C VAL A 15 2.042 5.413 5.614 1.00 0.00 C ATOM 234 O VAL A 15 2.584 6.508 5.462 1.00 0.00 O ATOM 235 CB VAL A 15 3.726 3.523 5.504 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.272 3.431 4.046 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.103 4.150 5.596 1.00 0.00 C ATOM 0 H VAL A 15 1.729 2.476 6.592 1.00 0.00 H new ATOM 0 HA VAL A 15 3.303 4.752 7.211 1.00 0.00 H new ATOM 0 HB VAL A 15 3.763 2.500 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.011 2.875 3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.311 2.918 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.170 4.434 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.797 3.597 4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.054 5.186 5.262 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.449 4.118 6.629 1.00 0.00 H new ATOM 247 N LEU A 16 0.838 5.122 5.125 1.00 0.00 N ATOM 248 CA LEU A 16 0.075 6.100 4.366 1.00 0.00 C ATOM 249 C LEU A 16 -0.256 7.301 5.238 1.00 0.00 C ATOM 250 O LEU A 16 -0.259 8.437 4.768 1.00 0.00 O ATOM 251 CB LEU A 16 -1.214 5.481 3.814 1.00 0.00 C ATOM 252 CG LEU A 16 -1.049 4.651 2.537 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.155 5.362 1.533 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.487 3.285 2.874 1.00 0.00 C ATOM 0 H LEU A 16 0.375 4.221 5.242 1.00 0.00 H new ATOM 0 HA LEU A 16 0.686 6.428 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.652 4.847 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.926 6.282 3.617 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.031 4.527 2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.056 4.750 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.597 6.323 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.829 5.524 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.373 2.703 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.485 3.400 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.167 2.769 3.551 1.00 0.00 H new ATOM 266 N LYS A 17 -0.522 7.045 6.520 1.00 0.00 N ATOM 267 CA LYS A 17 -0.841 8.115 7.461 1.00 0.00 C ATOM 268 C LYS A 17 0.153 9.255 7.306 1.00 0.00 C ATOM 269 O LYS A 17 -0.219 10.429 7.324 1.00 0.00 O ATOM 270 CB LYS A 17 -0.823 7.596 8.898 1.00 0.00 C ATOM 271 CG LYS A 17 -1.778 8.338 9.816 1.00 0.00 C ATOM 272 CD LYS A 17 -3.150 7.682 9.843 1.00 0.00 C ATOM 273 CE LYS A 17 -3.738 7.560 8.446 1.00 0.00 C ATOM 274 NZ LYS A 17 -5.047 6.850 8.453 1.00 0.00 N ATOM 0 H LYS A 17 -0.522 6.110 6.927 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.844 8.481 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.080 6.537 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.189 7.679 9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.367 8.365 10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.874 9.372 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.072 6.693 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.822 8.267 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.867 8.554 8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.039 7.025 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.414 6.788 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.920 5.892 8.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.723 7.374 9.045 1.00 0.00 H new ATOM 288 N ASN A 18 1.415 8.892 7.117 1.00 0.00 N ATOM 289 CA ASN A 18 2.462 9.882 6.916 1.00 0.00 C ATOM 290 C ASN A 18 2.246 10.563 5.575 1.00 0.00 C ATOM 291 O ASN A 18 2.391 11.778 5.440 1.00 0.00 O ATOM 292 CB ASN A 18 3.842 9.218 6.946 1.00 0.00 C ATOM 293 CG ASN A 18 4.630 9.577 8.192 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.813 8.749 9.084 1.00 0.00 O ATOM 295 ND2 ASN A 18 5.099 10.818 8.257 1.00 0.00 N ATOM 0 H ASN A 18 1.736 7.924 7.099 1.00 0.00 H new ATOM 0 HA ASN A 18 2.419 10.619 7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.723 8.136 6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.406 9.519 6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.636 11.118 9.071 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.923 11.471 7.493 1.00 0.00 H new ATOM 302 N LEU A 19 1.881 9.753 4.589 1.00 0.00 N ATOM 303 CA LEU A 19 1.621 10.231 3.241 1.00 0.00 C ATOM 304 C LEU A 19 0.535 11.304 3.248 1.00 0.00 C ATOM 305 O LEU A 19 0.615 12.283 2.510 1.00 0.00 O ATOM 306 CB LEU A 19 1.236 9.035 2.348 1.00 0.00 C ATOM 307 CG LEU A 19 -0.012 9.198 1.474 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.161 8.470 0.148 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.235 8.681 2.204 1.00 0.00 C ATOM 0 H LEU A 19 1.758 8.747 4.703 1.00 0.00 H new ATOM 0 HA LEU A 19 2.521 10.693 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.081 8.812 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.090 8.166 2.989 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.151 10.259 1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.736 8.598 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.019 8.881 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.324 7.408 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.115 8.803 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.100 7.625 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.372 9.243 3.128 1.00 0.00 H new ATOM 321 N HIS A 20 -0.474 11.119 4.091 1.00 0.00 N ATOM 322 CA HIS A 20 -1.572 12.079 4.196 1.00 0.00 C ATOM 323 C HIS A 20 -1.046 13.496 4.408 1.00 0.00 C ATOM 324 O HIS A 20 -1.641 14.467 3.940 1.00 0.00 O ATOM 325 CB HIS A 20 -2.495 11.705 5.360 1.00 0.00 C ATOM 326 CG HIS A 20 -3.431 10.570 5.084 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.768 10.753 4.806 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.229 9.230 5.077 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.349 9.578 4.643 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.436 8.639 4.802 1.00 0.00 N ATOM 0 H HIS A 20 -0.557 10.314 4.712 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.130 12.048 3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.881 11.448 6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.082 12.582 5.635 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.293 8.722 5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.393 9.414 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.601 7.635 4.732 1.00 0.00 H new ATOM 339 N LYS A 21 0.056 13.607 5.141 1.00 0.00 N ATOM 340 CA LYS A 21 0.646 14.907 5.447 1.00 0.00 C ATOM 341 C LYS A 21 1.740 15.306 4.461 1.00 0.00 C ATOM 342 O LYS A 21 2.365 16.354 4.623 1.00 0.00 O ATOM 343 CB LYS A 21 1.219 14.893 6.862 1.00 0.00 C ATOM 344 CG LYS A 21 0.341 14.157 7.854 1.00 0.00 C ATOM 345 CD LYS A 21 -0.974 14.891 8.080 1.00 0.00 C ATOM 346 CE LYS A 21 -2.013 14.521 7.031 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.402 14.661 7.551 1.00 0.00 N ATOM 0 H LYS A 21 0.560 12.813 5.535 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.151 15.646 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.204 14.427 6.843 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.358 15.920 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.140 13.150 7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.869 14.052 8.802 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.358 14.653 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.799 15.967 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.887 15.158 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.849 13.494 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.024 15.003 6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.742 13.737 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.411 15.341 8.338 1.00 0.00 H new ATOM 361 N ASN A 22 1.986 14.481 3.449 1.00 0.00 N ATOM 362 CA ASN A 22 3.025 14.797 2.476 1.00 0.00 C ATOM 363 C ASN A 22 2.610 14.460 1.046 1.00 0.00 C ATOM 364 O ASN A 22 3.416 14.579 0.124 1.00 0.00 O ATOM 365 CB ASN A 22 4.320 14.067 2.829 1.00 0.00 C ATOM 366 CG ASN A 22 5.521 14.993 2.804 1.00 0.00 C ATOM 367 OD1 ASN A 22 5.902 15.503 1.751 1.00 0.00 O ATOM 368 ND2 ASN A 22 6.121 15.216 3.966 1.00 0.00 N ATOM 0 H ASN A 22 1.491 13.605 3.282 1.00 0.00 H new ATOM 0 HA ASN A 22 3.186 15.874 2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.226 13.622 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.478 13.249 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.933 15.832 4.011 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.770 14.772 4.815 1.00 0.00 H new ATOM 375 N TRP A 23 1.360 14.050 0.849 1.00 0.00 N ATOM 376 CA TRP A 23 0.892 13.724 -0.489 1.00 0.00 C ATOM 377 C TRP A 23 0.526 15.001 -1.243 1.00 0.00 C ATOM 378 O TRP A 23 0.776 15.120 -2.441 1.00 0.00 O ATOM 379 CB TRP A 23 -0.286 12.734 -0.429 1.00 0.00 C ATOM 380 CG TRP A 23 -1.632 13.337 -0.653 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.633 13.439 0.251 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.126 13.887 -1.866 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.719 14.057 -0.306 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.434 14.339 -1.620 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.580 14.050 -3.132 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.204 14.947 -2.610 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.334 14.643 -4.109 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.637 15.090 -3.849 1.00 0.00 C ATOM 0 H TRP A 23 0.665 13.938 1.587 1.00 0.00 H new ATOM 0 HA TRP A 23 1.696 13.233 -1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.125 11.956 -1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.281 12.246 0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.582 13.083 1.269 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.593 14.272 0.174 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.576 13.714 -3.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.208 15.292 -2.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.918 14.769 -5.098 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.205 15.556 -4.641 1.00 0.00 H new ATOM 399 N HIS A 24 -0.046 15.961 -0.524 1.00 0.00 N ATOM 400 CA HIS A 24 -0.429 17.239 -1.115 1.00 0.00 C ATOM 401 C HIS A 24 -0.987 18.179 -0.053 1.00 0.00 C ATOM 402 O HIS A 24 -0.575 19.335 0.045 1.00 0.00 O ATOM 403 CB HIS A 24 -1.459 17.030 -2.225 1.00 0.00 C ATOM 404 CG HIS A 24 -1.942 18.305 -2.847 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.179 19.054 -3.720 1.00 0.00 N ATOM 406 CD2 HIS A 24 -3.118 18.964 -2.718 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.865 20.118 -4.099 1.00 0.00 C ATOM 408 NE2 HIS A 24 -3.044 20.086 -3.506 1.00 0.00 N ATOM 0 H HIS A 24 -0.255 15.878 0.471 1.00 0.00 H new ATOM 0 HA HIS A 24 0.463 17.693 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.022 16.401 -3.000 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.313 16.488 -1.819 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.958 18.663 -2.109 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.520 20.883 -4.778 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.781 20.782 -3.616 1.00 0.00 H new ATOM 417 N GLY A 25 -1.925 17.676 0.745 1.00 0.00 N ATOM 418 CA GLY A 25 -2.516 18.489 1.789 1.00 0.00 C ATOM 419 C GLY A 25 -3.970 18.158 2.048 1.00 0.00 C ATOM 420 O GLY A 25 -4.767 18.051 1.116 1.00 0.00 O ATOM 0 H GLY A 25 -2.284 16.723 0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.949 18.355 2.710 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.432 19.540 1.514 1.00 0.00 H new ATOM 424 N GLY A 26 -4.313 18.000 3.320 1.00 0.00 N ATOM 425 CA GLY A 26 -5.679 17.687 3.689 1.00 0.00 C ATOM 426 C GLY A 26 -6.002 16.219 3.523 1.00 0.00 C ATOM 427 O GLY A 26 -6.257 15.754 2.412 1.00 0.00 O ATOM 0 H GLY A 26 -3.667 18.083 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.848 17.978 4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.361 18.277 3.077 1.00 0.00 H new ATOM 431 N LYS A 27 -6.002 15.486 4.632 1.00 0.00 N ATOM 432 CA LYS A 27 -6.307 14.060 4.604 1.00 0.00 C ATOM 433 C LYS A 27 -7.623 13.810 3.870 1.00 0.00 C ATOM 434 O LYS A 27 -7.842 12.731 3.321 1.00 0.00 O ATOM 435 CB LYS A 27 -6.366 13.503 6.031 1.00 0.00 C ATOM 436 CG LYS A 27 -7.139 12.197 6.159 1.00 0.00 C ATOM 437 CD LYS A 27 -6.496 11.266 7.174 1.00 0.00 C ATOM 438 CE LYS A 27 -7.228 11.303 8.506 1.00 0.00 C ATOM 439 NZ LYS A 27 -7.401 12.695 9.007 1.00 0.00 N ATOM 0 H LYS A 27 -5.795 15.855 5.560 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.514 13.542 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.349 13.347 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.823 14.248 6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.166 12.409 6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.184 11.703 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.496 10.247 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.454 11.551 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.205 10.833 8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.674 10.719 9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.634 12.673 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.519 13.227 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.172 13.159 8.485 1.00 0.00 H new ATOM 453 N ASP A 28 -8.494 14.818 3.857 1.00 0.00 N ATOM 454 CA ASP A 28 -9.780 14.707 3.180 1.00 0.00 C ATOM 455 C ASP A 28 -9.583 14.277 1.730 1.00 0.00 C ATOM 456 O ASP A 28 -10.425 13.585 1.157 1.00 0.00 O ATOM 457 CB ASP A 28 -10.528 16.040 3.235 1.00 0.00 C ATOM 458 CG ASP A 28 -10.673 16.565 4.649 1.00 0.00 C ATOM 459 OD1 ASP A 28 -9.645 16.672 5.351 1.00 0.00 O ATOM 460 OD2 ASP A 28 -11.814 16.870 5.055 1.00 0.00 O ATOM 0 H ASP A 28 -8.331 15.718 4.308 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.374 13.950 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.998 16.776 2.630 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.517 15.917 2.793 1.00 0.00 H new ATOM 465 N ASN A 29 -8.460 14.686 1.145 1.00 0.00 N ATOM 466 CA ASN A 29 -8.147 14.337 -0.234 1.00 0.00 C ATOM 467 C ASN A 29 -7.471 12.970 -0.295 1.00 0.00 C ATOM 468 O ASN A 29 -7.792 12.142 -1.147 1.00 0.00 O ATOM 469 CB ASN A 29 -7.245 15.401 -0.859 1.00 0.00 C ATOM 470 CG ASN A 29 -7.632 15.718 -2.291 1.00 0.00 C ATOM 471 OD1 ASN A 29 -7.320 14.964 -3.212 1.00 0.00 O ATOM 472 ND2 ASN A 29 -8.314 16.841 -2.484 1.00 0.00 N ATOM 0 H ASN A 29 -7.753 15.259 1.606 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.077 14.291 -0.800 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.294 16.312 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.211 15.058 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.601 17.108 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.551 17.436 -1.691 1.00 0.00 H new ATOM 479 N LEU A 30 -6.543 12.740 0.629 1.00 0.00 N ATOM 480 CA LEU A 30 -5.825 11.473 0.703 1.00 0.00 C ATOM 481 C LEU A 30 -6.802 10.338 0.996 1.00 0.00 C ATOM 482 O LEU A 30 -6.637 9.216 0.520 1.00 0.00 O ATOM 483 CB LEU A 30 -4.760 11.549 1.802 1.00 0.00 C ATOM 484 CG LEU A 30 -3.657 10.477 1.769 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.247 9.088 1.909 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.812 10.575 0.501 1.00 0.00 C ATOM 0 H LEU A 30 -6.270 13.419 1.340 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.338 11.279 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.285 12.528 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.262 11.491 2.768 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.001 10.662 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.447 8.348 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.780 9.013 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.940 8.902 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.044 9.802 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.449 10.438 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.338 11.556 0.454 1.00 0.00 H new ATOM 498 N HIS A 31 -7.822 10.640 1.790 1.00 0.00 N ATOM 499 CA HIS A 31 -8.830 9.650 2.157 1.00 0.00 C ATOM 500 C HIS A 31 -9.329 8.890 0.932 1.00 0.00 C ATOM 501 O HIS A 31 -9.556 7.684 0.990 1.00 0.00 O ATOM 502 CB HIS A 31 -10.006 10.330 2.861 1.00 0.00 C ATOM 503 CG HIS A 31 -10.833 9.394 3.687 1.00 0.00 C ATOM 504 ND1 HIS A 31 -11.533 8.334 3.149 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.073 9.362 5.020 1.00 0.00 C ATOM 506 CE1 HIS A 31 -12.167 7.692 4.114 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.903 8.294 5.258 1.00 0.00 N ATOM 0 H HIS A 31 -7.974 11.564 2.193 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.366 8.935 2.837 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.625 11.126 3.501 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.644 10.801 2.113 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.684 10.048 5.758 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.795 6.822 3.988 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.258 8.012 6.172 1.00 0.00 H new ATOM 516 N ASP A 32 -9.502 9.604 -0.175 1.00 0.00 N ATOM 517 CA ASP A 32 -9.981 8.993 -1.410 1.00 0.00 C ATOM 518 C ASP A 32 -8.880 8.200 -2.111 1.00 0.00 C ATOM 519 O ASP A 32 -9.164 7.316 -2.919 1.00 0.00 O ATOM 520 CB ASP A 32 -10.533 10.065 -2.351 1.00 0.00 C ATOM 521 CG ASP A 32 -12.018 10.298 -2.154 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.768 9.304 -2.054 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.430 11.476 -2.097 1.00 0.00 O ATOM 0 H ASP A 32 -9.318 10.605 -0.243 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.778 8.298 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.997 11.000 -2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.348 9.768 -3.383 1.00 0.00 H new ATOM 528 N VAL A 33 -7.628 8.521 -1.808 1.00 0.00 N ATOM 529 CA VAL A 33 -6.502 7.832 -2.424 1.00 0.00 C ATOM 530 C VAL A 33 -6.057 6.636 -1.583 1.00 0.00 C ATOM 531 O VAL A 33 -5.860 5.543 -2.111 1.00 0.00 O ATOM 532 CB VAL A 33 -5.325 8.803 -2.672 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.452 8.975 -1.440 1.00 0.00 C ATOM 534 CG2 VAL A 33 -4.484 8.355 -3.852 1.00 0.00 C ATOM 0 H VAL A 33 -7.368 9.250 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.834 7.453 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.765 9.773 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.639 9.666 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.052 9.373 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.038 8.009 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.664 9.057 -4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.080 7.362 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.103 8.323 -4.749 1.00 0.00 H new ATOM 544 N ASP A 34 -5.916 6.839 -0.274 1.00 0.00 N ATOM 545 CA ASP A 34 -5.510 5.755 0.613 1.00 0.00 C ATOM 546 C ASP A 34 -6.657 4.768 0.800 1.00 0.00 C ATOM 547 O ASP A 34 -6.427 3.583 1.038 1.00 0.00 O ATOM 548 CB ASP A 34 -5.029 6.298 1.966 1.00 0.00 C ATOM 549 CG ASP A 34 -5.040 5.249 3.065 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.401 4.192 2.883 1.00 0.00 O ATOM 551 OD2 ASP A 34 -5.687 5.487 4.106 1.00 0.00 O ATOM 0 H ASP A 34 -6.075 7.733 0.190 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.673 5.231 0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.018 6.690 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.664 7.133 2.262 1.00 0.00 H new ATOM 556 N ASN A 35 -7.896 5.246 0.664 1.00 0.00 N ATOM 557 CA ASN A 35 -9.053 4.365 0.793 1.00 0.00 C ATOM 558 C ASN A 35 -8.885 3.191 -0.162 1.00 0.00 C ATOM 559 O ASN A 35 -9.296 2.067 0.128 1.00 0.00 O ATOM 560 CB ASN A 35 -10.353 5.119 0.492 1.00 0.00 C ATOM 561 CG ASN A 35 -11.555 4.198 0.392 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.677 3.504 -0.734 1.00 0.00 O flip ATOM 563 ND2 ASN A 35 -12.364 4.110 1.316 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.120 6.222 0.468 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.114 4.000 1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.530 5.857 1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.242 5.667 -0.443 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.232 4.662 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.166 3.485 1.234 1.00 0.00 H new ATOM 570 N HIS A 36 -8.243 3.469 -1.293 1.00 0.00 N ATOM 571 CA HIS A 36 -7.971 2.451 -2.293 1.00 0.00 C ATOM 572 C HIS A 36 -7.040 1.400 -1.701 1.00 0.00 C ATOM 573 O HIS A 36 -7.144 0.213 -2.004 1.00 0.00 O ATOM 574 CB HIS A 36 -7.334 3.090 -3.531 1.00 0.00 C ATOM 575 CG HIS A 36 -8.037 2.747 -4.809 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.796 1.606 -4.967 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.094 3.403 -5.992 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.287 1.574 -6.193 1.00 0.00 C ATOM 579 NE2 HIS A 36 -8.878 2.652 -6.834 1.00 0.00 N ATOM 0 H HIS A 36 -7.901 4.398 -1.537 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.905 1.975 -2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.328 4.173 -3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.294 2.771 -3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.613 4.341 -6.229 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.916 0.797 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.107 2.890 -7.799 1.00 0.00 H new ATOM 588 N LEU A 37 -6.141 1.859 -0.837 1.00 0.00 N ATOM 589 CA LEU A 37 -5.189 0.985 -0.169 1.00 0.00 C ATOM 590 C LEU A 37 -5.902 0.124 0.866 1.00 0.00 C ATOM 591 O LEU A 37 -5.983 -1.095 0.727 1.00 0.00 O ATOM 592 CB LEU A 37 -4.108 1.827 0.516 1.00 0.00 C ATOM 593 CG LEU A 37 -2.807 1.097 0.872 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.004 -0.413 0.936 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.718 1.451 -0.127 1.00 0.00 C ATOM 0 H LEU A 37 -6.053 2.843 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.726 0.334 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.863 2.666 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.528 2.245 1.431 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.501 1.427 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.059 -0.893 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.748 -0.651 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.346 -0.777 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.799 0.927 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.032 1.154 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.541 2.526 -0.107 1.00 0.00 H new ATOM 607 N GLN A 38 -6.418 0.775 1.905 1.00 0.00 N ATOM 608 CA GLN A 38 -7.133 0.081 2.971 1.00 0.00 C ATOM 609 C GLN A 38 -8.154 -0.898 2.398 1.00 0.00 C ATOM 610 O GLN A 38 -8.370 -1.977 2.950 1.00 0.00 O ATOM 611 CB GLN A 38 -7.833 1.091 3.883 1.00 0.00 C ATOM 612 CG GLN A 38 -8.174 0.535 5.257 1.00 0.00 C ATOM 613 CD GLN A 38 -9.194 1.383 5.991 1.00 0.00 C ATOM 614 OE1 GLN A 38 -10.105 0.862 6.633 1.00 0.00 O ATOM 615 NE2 GLN A 38 -9.045 2.700 5.899 1.00 0.00 N ATOM 0 H GLN A 38 -6.354 1.785 2.031 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.406 -0.484 3.554 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.193 1.965 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.749 1.431 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.559 -0.479 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.265 0.469 5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.275 3.089 5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.701 3.322 6.372 1.00 0.00 H new ATOM 624 N ASN A 39 -8.771 -0.520 1.282 1.00 0.00 N ATOM 625 CA ASN A 39 -9.759 -1.374 0.634 1.00 0.00 C ATOM 626 C ASN A 39 -9.080 -2.588 0.014 1.00 0.00 C ATOM 627 O ASN A 39 -9.659 -3.672 -0.049 1.00 0.00 O ATOM 628 CB ASN A 39 -10.520 -0.592 -0.438 1.00 0.00 C ATOM 629 CG ASN A 39 -11.793 -1.294 -0.871 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.843 -1.141 -0.245 1.00 0.00 O ATOM 631 ND2 ASN A 39 -11.706 -2.068 -1.946 1.00 0.00 N ATOM 0 H ASN A 39 -8.605 0.369 0.810 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.470 -1.714 1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.767 0.398 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.875 -0.447 -1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.530 -2.565 -2.284 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.815 -2.165 -2.434 1.00 0.00 H new ATOM 638 N VAL A 40 -7.841 -2.400 -0.431 1.00 0.00 N ATOM 639 CA VAL A 40 -7.076 -3.482 -1.030 1.00 0.00 C ATOM 640 C VAL A 40 -6.660 -4.487 0.038 1.00 0.00 C ATOM 641 O VAL A 40 -6.645 -5.692 -0.206 1.00 0.00 O ATOM 642 CB VAL A 40 -5.827 -2.945 -1.763 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.878 -4.073 -2.148 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.240 -2.150 -2.990 1.00 0.00 C ATOM 0 H VAL A 40 -7.348 -1.508 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.713 -3.978 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.293 -2.286 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.010 -3.659 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.552 -4.597 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.392 -4.771 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.351 -1.777 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.802 -2.793 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.864 -1.309 -2.686 1.00 0.00 H new ATOM 654 N ILE A 41 -6.333 -3.981 1.226 1.00 0.00 N ATOM 655 CA ILE A 41 -5.924 -4.833 2.339 1.00 0.00 C ATOM 656 C ILE A 41 -6.916 -5.975 2.542 1.00 0.00 C ATOM 657 O ILE A 41 -6.532 -7.093 2.885 1.00 0.00 O ATOM 658 CB ILE A 41 -5.805 -4.030 3.651 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.908 -2.805 3.451 1.00 0.00 C ATOM 660 CG2 ILE A 41 -5.262 -4.911 4.767 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.546 -3.138 2.877 1.00 0.00 C ATOM 0 H ILE A 41 -6.344 -2.984 1.442 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.946 -5.241 2.085 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.799 -3.686 3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.411 -2.101 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.776 -2.301 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.184 -4.329 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.936 -5.753 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.276 -5.284 4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.966 -2.222 2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.023 -3.817 3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.668 -3.614 1.904 1.00 0.00 H new ATOM 673 N GLU A 42 -8.192 -5.686 2.311 1.00 0.00 N ATOM 674 CA GLU A 42 -9.242 -6.689 2.453 1.00 0.00 C ATOM 675 C GLU A 42 -9.218 -7.643 1.274 1.00 0.00 C ATOM 676 O GLU A 42 -9.639 -8.794 1.382 1.00 0.00 O ATOM 677 CB GLU A 42 -10.614 -6.014 2.586 1.00 0.00 C ATOM 678 CG GLU A 42 -11.203 -5.537 1.265 1.00 0.00 C ATOM 679 CD GLU A 42 -12.459 -6.295 0.878 1.00 0.00 C ATOM 680 OE1 GLU A 42 -13.557 -5.883 1.309 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.343 -7.300 0.146 1.00 0.00 O ATOM 0 H GLU A 42 -8.525 -4.765 2.025 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.059 -7.263 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.308 -6.715 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.524 -5.162 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.432 -4.474 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.458 -5.650 0.477 1.00 0.00 H new ATOM 688 N ASP A 43 -8.703 -7.167 0.154 1.00 0.00 N ATOM 689 CA ASP A 43 -8.599 -7.991 -1.028 1.00 0.00 C ATOM 690 C ASP A 43 -7.355 -8.857 -0.938 1.00 0.00 C ATOM 691 O ASP A 43 -7.307 -9.939 -1.509 1.00 0.00 O ATOM 692 CB ASP A 43 -8.559 -7.127 -2.290 1.00 0.00 C ATOM 693 CG ASP A 43 -9.940 -6.871 -2.861 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.654 -7.854 -3.151 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.309 -5.688 -3.016 1.00 0.00 O ATOM 0 H ASP A 43 -8.352 -6.216 0.042 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.478 -8.633 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.082 -6.174 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.943 -7.618 -3.043 1.00 0.00 H new ATOM 700 N ILE A 44 -6.348 -8.379 -0.206 1.00 0.00 N ATOM 701 CA ILE A 44 -5.111 -9.136 -0.040 1.00 0.00 C ATOM 702 C ILE A 44 -5.212 -10.102 1.133 1.00 0.00 C ATOM 703 O ILE A 44 -4.945 -11.292 0.989 1.00 0.00 O ATOM 704 CB ILE A 44 -3.873 -8.231 0.166 1.00 0.00 C ATOM 705 CG1 ILE A 44 -4.158 -6.796 -0.295 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.671 -8.813 -0.572 1.00 0.00 C ATOM 707 CD1 ILE A 44 -2.914 -5.966 -0.532 1.00 0.00 C ATOM 0 H ILE A 44 -6.365 -7.480 0.276 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.977 -9.689 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.643 -8.195 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.740 -6.830 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.775 -6.301 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.805 -8.169 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.454 -9.809 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.894 -8.877 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.200 -4.965 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.340 -5.898 0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.305 -6.436 -1.304 1.00 0.00 H new ATOM 719 N HIS A 45 -5.592 -9.587 2.297 1.00 0.00 N ATOM 720 CA HIS A 45 -5.715 -10.423 3.484 1.00 0.00 C ATOM 721 C HIS A 45 -6.778 -11.500 3.278 1.00 0.00 C ATOM 722 O HIS A 45 -6.709 -12.574 3.876 1.00 0.00 O ATOM 723 CB HIS A 45 -6.030 -9.567 4.722 1.00 0.00 C ATOM 724 CG HIS A 45 -7.483 -9.510 5.085 1.00 0.00 C ATOM 725 ND1 HIS A 45 -8.577 -9.341 4.313 1.00 0.00 N flip ATOM 726 CD2 HIS A 45 -7.943 -9.637 6.378 1.00 0.00 C flip ATOM 727 CE1 HIS A 45 -9.671 -9.368 5.142 1.00 0.00 C flip ATOM 728 NE2 HIS A 45 -9.261 -9.550 6.384 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.818 -8.603 2.443 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.760 -10.920 3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.471 -9.960 5.571 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.672 -8.552 4.547 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.323 -9.785 7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.699 -9.258 4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.860 -9.613 7.207 1.00 0.00 H new ATOM 737 N ASP A 46 -7.755 -11.212 2.420 1.00 0.00 N ATOM 738 CA ASP A 46 -8.816 -12.168 2.136 1.00 0.00 C ATOM 739 C ASP A 46 -8.390 -13.107 1.019 1.00 0.00 C ATOM 740 O ASP A 46 -8.776 -14.275 0.989 1.00 0.00 O ATOM 741 CB ASP A 46 -10.106 -11.442 1.748 1.00 0.00 C ATOM 742 CG ASP A 46 -11.306 -12.367 1.725 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.234 -13.415 1.049 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.317 -12.046 2.384 1.00 0.00 O ATOM 0 H ASP A 46 -7.831 -10.330 1.914 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.004 -12.751 3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.289 -10.631 2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.982 -10.988 0.765 1.00 0.00 H new ATOM 749 N PHE A 47 -7.589 -12.581 0.097 1.00 0.00 N ATOM 750 CA PHE A 47 -7.108 -13.378 -1.034 1.00 0.00 C ATOM 751 C PHE A 47 -5.907 -14.239 -0.648 1.00 0.00 C ATOM 752 O PHE A 47 -5.850 -15.421 -0.984 1.00 0.00 O ATOM 753 CB PHE A 47 -6.736 -12.482 -2.215 1.00 0.00 C ATOM 754 CG PHE A 47 -7.917 -12.075 -3.054 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.115 -11.710 -2.460 1.00 0.00 C ATOM 756 CD2 PHE A 47 -7.827 -12.062 -4.436 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.201 -11.338 -3.231 1.00 0.00 C ATOM 758 CE2 PHE A 47 -8.910 -11.692 -5.211 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.098 -11.329 -4.608 1.00 0.00 C ATOM 0 H PHE A 47 -7.260 -11.616 0.107 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.925 -14.038 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.241 -11.586 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.016 -13.004 -2.845 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.201 -11.716 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.900 -12.344 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.129 -11.055 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.827 -11.687 -6.288 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.945 -11.039 -5.212 1.00 0.00 H new ATOM 769 N MET A 48 -4.946 -13.641 0.051 1.00 0.00 N ATOM 770 CA MET A 48 -3.743 -14.358 0.469 1.00 0.00 C ATOM 771 C MET A 48 -4.090 -15.678 1.158 1.00 0.00 C ATOM 772 O MET A 48 -3.282 -16.606 1.178 1.00 0.00 O ATOM 773 CB MET A 48 -2.892 -13.484 1.396 1.00 0.00 C ATOM 774 CG MET A 48 -3.497 -13.270 2.775 1.00 0.00 C ATOM 775 SD MET A 48 -2.475 -12.215 3.823 1.00 0.00 S ATOM 776 CE MET A 48 -2.104 -10.872 2.697 1.00 0.00 C ATOM 0 H MET A 48 -4.976 -12.663 0.340 1.00 0.00 H new ATOM 0 HA MET A 48 -3.167 -14.588 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.909 -13.942 1.509 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.739 -12.514 0.924 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.485 -12.823 2.669 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.635 -14.236 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.302 -10.261 3.111 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.790 -11.279 1.736 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.994 -10.258 2.558 1.00 0.00 H new ATOM 786 N GLN A 49 -5.293 -15.758 1.719 1.00 0.00 N ATOM 787 CA GLN A 49 -5.735 -16.968 2.403 1.00 0.00 C ATOM 788 C GLN A 49 -6.440 -17.930 1.447 1.00 0.00 C ATOM 789 O GLN A 49 -7.082 -18.885 1.882 1.00 0.00 O ATOM 790 CB GLN A 49 -6.668 -16.610 3.562 1.00 0.00 C ATOM 791 CG GLN A 49 -5.999 -15.789 4.651 1.00 0.00 C ATOM 792 CD GLN A 49 -6.991 -15.245 5.662 1.00 0.00 C ATOM 793 OE1 GLN A 49 -8.102 -15.756 5.795 1.00 0.00 O ATOM 794 NE2 GLN A 49 -6.591 -14.202 6.380 1.00 0.00 N ATOM 0 H GLN A 49 -5.977 -15.001 1.713 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.849 -17.469 2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.521 -16.054 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.059 -17.529 4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.262 -16.406 5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.458 -14.960 4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.660 -13.811 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.215 -13.792 7.076 1.00 0.00 H new ATOM 803 N GLY A 50 -6.314 -17.681 0.146 1.00 0.00 N ATOM 804 CA GLY A 50 -6.944 -18.544 -0.837 1.00 0.00 C ATOM 805 C GLY A 50 -8.181 -17.923 -1.457 1.00 0.00 C ATOM 806 O GLY A 50 -9.075 -18.635 -1.917 1.00 0.00 O ATOM 0 H GLY A 50 -5.788 -16.899 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.226 -18.776 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.215 -19.488 -0.365 1.00 0.00 H new ATOM 810 N GLY A 51 -8.235 -16.596 -1.472 1.00 0.00 N ATOM 811 CA GLY A 51 -9.376 -15.908 -2.044 1.00 0.00 C ATOM 812 C GLY A 51 -9.091 -15.361 -3.430 1.00 0.00 C ATOM 813 O GLY A 51 -9.698 -14.377 -3.854 1.00 0.00 O ATOM 0 H GLY A 51 -7.509 -15.985 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.222 -16.594 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.669 -15.089 -1.387 1.00 0.00 H new ATOM 817 N GLY A 52 -8.164 -15.998 -4.138 1.00 0.00 N ATOM 818 CA GLY A 52 -7.816 -15.555 -5.476 1.00 0.00 C ATOM 819 C GLY A 52 -6.521 -14.767 -5.509 1.00 0.00 C ATOM 820 O GLY A 52 -6.324 -13.921 -6.381 1.00 0.00 O ATOM 0 H GLY A 52 -7.647 -16.814 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.727 -16.422 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.623 -14.938 -5.872 1.00 0.00 H new ATOM 824 N SER A 53 -5.637 -15.045 -4.556 1.00 0.00 N ATOM 825 CA SER A 53 -4.354 -14.356 -4.476 1.00 0.00 C ATOM 826 C SER A 53 -3.477 -14.669 -5.690 1.00 0.00 C ATOM 827 O SER A 53 -2.493 -13.976 -5.949 1.00 0.00 O ATOM 828 CB SER A 53 -3.624 -14.746 -3.187 1.00 0.00 C ATOM 829 OG SER A 53 -3.191 -13.597 -2.480 1.00 0.00 O ATOM 0 H SER A 53 -5.786 -15.743 -3.828 1.00 0.00 H new ATOM 0 HA SER A 53 -4.550 -13.284 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.286 -15.338 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.766 -15.374 -3.427 1.00 0.00 H new ATOM 0 HG SER A 53 -3.968 -13.052 -2.234 1.00 0.00 H new ATOM 835 N GLY A 54 -3.835 -15.717 -6.430 1.00 0.00 N ATOM 836 CA GLY A 54 -3.065 -16.096 -7.601 1.00 0.00 C ATOM 837 C GLY A 54 -3.487 -15.340 -8.846 1.00 0.00 C ATOM 838 O GLY A 54 -4.128 -15.901 -9.733 1.00 0.00 O ATOM 0 H GLY A 54 -4.644 -16.309 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.007 -15.913 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.178 -17.166 -7.775 1.00 0.00 H new ATOM 842 N GLY A 55 -3.126 -14.064 -8.909 1.00 0.00 N ATOM 843 CA GLY A 55 -3.477 -13.246 -10.057 1.00 0.00 C ATOM 844 C GLY A 55 -4.077 -11.908 -9.660 1.00 0.00 C ATOM 845 O GLY A 55 -4.219 -11.014 -10.492 1.00 0.00 O ATOM 0 H GLY A 55 -2.596 -13.579 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.587 -13.075 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.188 -13.788 -10.681 1.00 0.00 H new ATOM 849 N LYS A 56 -4.431 -11.775 -8.387 1.00 0.00 N ATOM 850 CA LYS A 56 -5.021 -10.543 -7.876 1.00 0.00 C ATOM 851 C LYS A 56 -3.941 -9.573 -7.412 1.00 0.00 C ATOM 852 O LYS A 56 -4.138 -8.359 -7.434 1.00 0.00 O ATOM 853 CB LYS A 56 -5.987 -10.874 -6.729 1.00 0.00 C ATOM 854 CG LYS A 56 -6.241 -9.725 -5.763 1.00 0.00 C ATOM 855 CD LYS A 56 -5.407 -9.865 -4.500 1.00 0.00 C ATOM 856 CE LYS A 56 -5.390 -8.577 -3.694 1.00 0.00 C ATOM 857 NZ LYS A 56 -4.062 -7.909 -3.744 1.00 0.00 N ATOM 0 H LYS A 56 -4.319 -12.508 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.576 -10.058 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.939 -11.192 -7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.589 -11.721 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.007 -8.779 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.299 -9.696 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.807 -10.673 -3.887 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.387 -10.142 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.152 -7.899 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.649 -8.794 -2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.136 -6.958 -3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.371 -8.469 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.749 -7.831 -4.733 1.00 0.00 H new ATOM 871 N LEU A 57 -2.804 -10.108 -6.989 1.00 0.00 N ATOM 872 CA LEU A 57 -1.711 -9.271 -6.518 1.00 0.00 C ATOM 873 C LEU A 57 -1.062 -8.494 -7.660 1.00 0.00 C ATOM 874 O LEU A 57 -0.235 -7.622 -7.422 1.00 0.00 O ATOM 875 CB LEU A 57 -0.658 -10.115 -5.792 1.00 0.00 C ATOM 876 CG LEU A 57 -0.630 -9.961 -4.266 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.711 -8.496 -3.861 1.00 0.00 C ATOM 878 CD2 LEU A 57 -1.761 -10.753 -3.631 1.00 0.00 C ATOM 0 H LEU A 57 -2.616 -11.110 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.133 -8.550 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.830 -11.164 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.325 -9.855 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 57 0.319 -10.358 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.689 -8.417 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.137 -7.955 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.639 -8.065 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.726 -10.633 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.717 -10.387 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.652 -11.808 -3.882 1.00 0.00 H new ATOM 890 N GLN A 58 -1.423 -8.807 -8.899 1.00 0.00 N ATOM 891 CA GLN A 58 -0.845 -8.105 -10.038 1.00 0.00 C ATOM 892 C GLN A 58 -1.620 -6.832 -10.366 1.00 0.00 C ATOM 893 O GLN A 58 -1.034 -5.759 -10.505 1.00 0.00 O ATOM 894 CB GLN A 58 -0.764 -9.023 -11.263 1.00 0.00 C ATOM 895 CG GLN A 58 -2.099 -9.256 -11.950 1.00 0.00 C ATOM 896 CD GLN A 58 -2.045 -10.381 -12.964 1.00 0.00 C ATOM 897 OE1 GLN A 58 -1.819 -11.539 -12.612 1.00 0.00 O ATOM 898 NE2 GLN A 58 -2.250 -10.047 -14.233 1.00 0.00 N ATOM 0 H GLN A 58 -2.102 -9.530 -9.138 1.00 0.00 H new ATOM 0 HA GLN A 58 0.168 -7.812 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.067 -8.592 -11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.352 -9.985 -10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.855 -9.485 -11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.412 -8.338 -12.448 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.434 -9.075 -14.481 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.223 -10.763 -14.959 1.00 0.00 H new ATOM 907 N GLU A 59 -2.935 -6.957 -10.496 1.00 0.00 N ATOM 908 CA GLU A 59 -3.777 -5.812 -10.814 1.00 0.00 C ATOM 909 C GLU A 59 -4.176 -5.066 -9.548 1.00 0.00 C ATOM 910 O GLU A 59 -4.355 -3.848 -9.564 1.00 0.00 O ATOM 911 CB GLU A 59 -5.027 -6.264 -11.573 1.00 0.00 C ATOM 912 CG GLU A 59 -4.941 -6.039 -13.074 1.00 0.00 C ATOM 913 CD GLU A 59 -5.733 -4.830 -13.529 1.00 0.00 C ATOM 914 OE1 GLU A 59 -6.774 -4.534 -12.906 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.311 -4.177 -14.507 1.00 0.00 O ATOM 0 H GLU A 59 -3.439 -7.837 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.204 -5.135 -11.448 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.195 -7.324 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.893 -5.729 -11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.897 -5.913 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.308 -6.925 -13.592 1.00 0.00 H new ATOM 922 N MET A 60 -4.314 -5.802 -8.452 1.00 0.00 N ATOM 923 CA MET A 60 -4.693 -5.200 -7.183 1.00 0.00 C ATOM 924 C MET A 60 -3.502 -4.513 -6.524 1.00 0.00 C ATOM 925 O MET A 60 -3.670 -3.520 -5.815 1.00 0.00 O ATOM 926 CB MET A 60 -5.281 -6.249 -6.241 1.00 0.00 C ATOM 927 CG MET A 60 -6.205 -5.664 -5.183 1.00 0.00 C ATOM 928 SD MET A 60 -7.905 -6.243 -5.342 1.00 0.00 S ATOM 929 CE MET A 60 -8.493 -5.205 -6.677 1.00 0.00 C ATOM 0 H MET A 60 -4.170 -6.811 -8.417 1.00 0.00 H new ATOM 0 HA MET A 60 -5.454 -4.447 -7.388 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.832 -6.984 -6.827 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.467 -6.780 -5.748 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.828 -5.925 -4.194 1.00 0.00 H new ATOM 0 HG3 MET A 60 -6.188 -4.576 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.517 -5.481 -6.929 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.465 -4.161 -6.365 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.856 -5.340 -7.551 1.00 0.00 H new ATOM 939 N MET A 61 -2.296 -5.032 -6.758 1.00 0.00 N ATOM 940 CA MET A 61 -1.100 -4.428 -6.168 1.00 0.00 C ATOM 941 C MET A 61 -0.961 -2.979 -6.620 1.00 0.00 C ATOM 942 O MET A 61 -0.631 -2.100 -5.824 1.00 0.00 O ATOM 943 CB MET A 61 0.152 -5.228 -6.541 1.00 0.00 C ATOM 944 CG MET A 61 1.466 -4.528 -6.219 1.00 0.00 C ATOM 945 SD MET A 61 2.552 -4.387 -7.651 1.00 0.00 S ATOM 946 CE MET A 61 3.637 -3.064 -7.123 1.00 0.00 C ATOM 0 H MET A 61 -2.122 -5.852 -7.339 1.00 0.00 H new ATOM 0 HA MET A 61 -1.205 -4.446 -5.083 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.126 -6.184 -6.018 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.123 -5.447 -7.608 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.256 -3.532 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.981 -5.077 -5.431 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.521 -2.210 -7.790 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.381 -2.768 -6.106 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.671 -3.408 -7.151 1.00 0.00 H new ATOM 956 N LYS A 62 -1.224 -2.734 -7.899 1.00 0.00 N ATOM 957 CA LYS A 62 -1.136 -1.387 -8.445 1.00 0.00 C ATOM 958 C LYS A 62 -2.115 -0.456 -7.736 1.00 0.00 C ATOM 959 O LYS A 62 -1.969 0.766 -7.783 1.00 0.00 O ATOM 960 CB LYS A 62 -1.427 -1.403 -9.946 1.00 0.00 C ATOM 961 CG LYS A 62 -0.223 -1.775 -10.796 1.00 0.00 C ATOM 962 CD LYS A 62 -0.315 -1.172 -12.188 1.00 0.00 C ATOM 963 CE LYS A 62 -1.529 -1.691 -12.941 1.00 0.00 C ATOM 964 NZ LYS A 62 -1.170 -2.781 -13.890 1.00 0.00 N ATOM 0 H LYS A 62 -1.499 -3.448 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.123 -1.018 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.233 -2.110 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.785 -0.419 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.688 -1.429 -10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.152 -2.860 -10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.369 -0.086 -12.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.590 -1.407 -12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.268 -2.058 -12.229 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.994 -0.871 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.025 -3.107 -14.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.484 -2.424 -14.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.750 -3.574 -13.365 1.00 0.00 H new ATOM 978 N GLU A 63 -3.118 -1.039 -7.082 1.00 0.00 N ATOM 979 CA GLU A 63 -4.123 -0.262 -6.369 1.00 0.00 C ATOM 980 C GLU A 63 -3.567 0.314 -5.070 1.00 0.00 C ATOM 981 O GLU A 63 -3.978 1.393 -4.640 1.00 0.00 O ATOM 982 CB GLU A 63 -5.349 -1.126 -6.073 1.00 0.00 C ATOM 983 CG GLU A 63 -6.622 -0.321 -5.865 1.00 0.00 C ATOM 984 CD GLU A 63 -7.868 -1.185 -5.880 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.231 -1.685 -6.965 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.481 -1.361 -4.806 1.00 0.00 O ATOM 0 H GLU A 63 -3.254 -2.049 -7.033 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.414 0.570 -7.010 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.500 -1.823 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.156 -1.723 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.562 0.207 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.700 0.436 -6.645 1.00 0.00 H new ATOM 993 N PHE A 64 -2.628 -0.395 -4.445 1.00 0.00 N ATOM 994 CA PHE A 64 -2.033 0.076 -3.207 1.00 0.00 C ATOM 995 C PHE A 64 -0.844 0.981 -3.514 1.00 0.00 C ATOM 996 O PHE A 64 -0.507 1.872 -2.734 1.00 0.00 O ATOM 997 CB PHE A 64 -1.649 -1.111 -2.307 1.00 0.00 C ATOM 998 CG PHE A 64 -0.329 -1.756 -2.620 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.864 -1.094 -2.380 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.285 -3.040 -3.136 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.074 -1.700 -2.652 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.921 -3.652 -3.408 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.102 -2.981 -3.166 1.00 0.00 C ATOM 0 H PHE A 64 -2.269 -1.290 -4.777 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.763 0.668 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.631 -0.769 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.430 -1.868 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.847 -0.093 -1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.207 -3.569 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.997 -1.173 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.941 -4.654 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.048 -3.457 -3.378 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.234 0.762 -4.677 1.00 0.00 N ATOM 1014 CA GLN A 65 0.891 1.570 -5.119 1.00 0.00 C ATOM 1015 C GLN A 65 0.384 2.859 -5.760 1.00 0.00 C ATOM 1016 O GLN A 65 1.027 3.905 -5.676 1.00 0.00 O ATOM 1017 CB GLN A 65 1.753 0.789 -6.113 1.00 0.00 C ATOM 1018 CG GLN A 65 3.244 0.885 -5.835 1.00 0.00 C ATOM 1019 CD GLN A 65 4.083 0.700 -7.084 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.576 0.301 -8.133 1.00 0.00 O ATOM 1021 NE2 GLN A 65 5.375 0.992 -6.980 1.00 0.00 N ATOM 0 H GLN A 65 -0.505 0.027 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 65 1.504 1.821 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.455 -0.259 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.556 1.157 -7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.466 1.857 -5.394 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.522 0.130 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.754 1.320 -6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.988 0.889 -7.789 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.784 2.771 -6.401 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.393 3.925 -7.055 1.00 0.00 C ATOM 1032 C GLN A 66 -1.639 5.041 -6.047 1.00 0.00 C ATOM 1033 O GLN A 66 -1.537 6.222 -6.376 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.709 3.524 -7.728 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.441 4.687 -8.381 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.910 4.737 -8.008 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.443 3.797 -7.416 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -5.571 5.834 -8.353 1.00 0.00 N ATOM 0 H GLN A 66 -1.325 1.910 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.706 4.290 -7.818 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.504 2.765 -8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.362 3.066 -6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.964 5.622 -8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.348 4.608 -9.464 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.088 6.588 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.562 5.924 -8.129 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.951 4.657 -4.814 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.193 5.623 -3.748 1.00 0.00 C ATOM 1049 C VAL A 67 -1.002 6.561 -3.609 1.00 0.00 C ATOM 1050 O VAL A 67 -1.160 7.761 -3.386 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.452 4.899 -2.407 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.590 5.884 -1.255 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.687 4.021 -2.512 1.00 0.00 C ATOM 0 H VAL A 67 -2.042 3.682 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.077 6.206 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.588 4.268 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.771 5.338 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.672 6.464 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.426 6.556 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.857 3.517 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.552 4.638 -2.756 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.539 3.277 -3.295 1.00 0.00 H new ATOM 1063 N LEU A 68 0.189 6.001 -3.765 1.00 0.00 N ATOM 1064 CA LEU A 68 1.416 6.776 -3.685 1.00 0.00 C ATOM 1065 C LEU A 68 1.606 7.612 -4.953 1.00 0.00 C ATOM 1066 O LEU A 68 2.496 8.455 -5.022 1.00 0.00 O ATOM 1067 CB LEU A 68 2.599 5.841 -3.468 1.00 0.00 C ATOM 1068 CG LEU A 68 2.963 5.625 -1.999 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.216 4.427 -1.423 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.469 5.446 -1.853 1.00 0.00 C ATOM 0 H LEU A 68 0.330 5.008 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 68 1.352 7.461 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.373 4.876 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.467 6.243 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 68 2.661 6.507 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.492 4.295 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.142 4.599 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.479 3.530 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.717 5.293 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.790 4.580 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.979 6.337 -2.220 1.00 0.00 H new ATOM 1082 N ASP A 69 0.742 7.382 -5.948 1.00 0.00 N ATOM 1083 CA ASP A 69 0.795 8.126 -7.201 1.00 0.00 C ATOM 1084 C ASP A 69 0.260 9.535 -6.982 1.00 0.00 C ATOM 1085 O ASP A 69 0.980 10.517 -7.167 1.00 0.00 O ATOM 1086 CB ASP A 69 -0.018 7.416 -8.286 1.00 0.00 C ATOM 1087 CG ASP A 69 0.377 7.850 -9.684 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.593 7.903 -9.968 1.00 0.00 O ATOM 1089 OD2 ASP A 69 -0.528 8.137 -10.495 1.00 0.00 O ATOM 0 H ASP A 69 -0.001 6.685 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 69 1.832 8.181 -7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.118 6.339 -8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.078 7.618 -8.132 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.997 9.629 -6.544 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.604 10.928 -6.252 1.00 0.00 C ATOM 1096 C GLU A 70 -0.685 11.699 -5.326 1.00 0.00 C ATOM 1097 O GLU A 70 -0.572 12.923 -5.389 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.961 10.738 -5.563 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.911 11.911 -5.740 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.064 12.328 -7.190 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.628 11.539 -7.979 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -3.620 13.442 -7.537 1.00 0.00 O ATOM 0 H GLU A 70 -1.609 8.829 -6.385 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.752 11.473 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.434 9.838 -5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.797 10.573 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.889 11.645 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.547 12.759 -5.159 1.00 0.00 H new ATOM 1109 N LEU A 71 -0.040 10.934 -4.463 1.00 0.00 N ATOM 1110 CA LEU A 71 0.882 11.442 -3.472 1.00 0.00 C ATOM 1111 C LEU A 71 2.196 11.905 -4.103 1.00 0.00 C ATOM 1112 O LEU A 71 2.527 13.090 -4.071 1.00 0.00 O ATOM 1113 CB LEU A 71 1.120 10.321 -2.466 1.00 0.00 C ATOM 1114 CG LEU A 71 2.361 10.439 -1.591 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.974 10.819 -0.177 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.111 9.124 -1.597 1.00 0.00 C ATOM 0 H LEU A 71 -0.148 9.920 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 71 0.460 12.319 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.249 10.258 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.177 9.380 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 71 3.007 11.221 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.871 10.900 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.454 11.777 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.318 10.054 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.999 9.209 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.466 8.336 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.408 8.879 -2.617 1.00 0.00 H new ATOM 1128 N ASN A 72 2.944 10.959 -4.659 1.00 0.00 N ATOM 1129 CA ASN A 72 4.229 11.260 -5.283 1.00 0.00 C ATOM 1130 C ASN A 72 4.118 12.402 -6.290 1.00 0.00 C ATOM 1131 O ASN A 72 5.104 13.081 -6.577 1.00 0.00 O ATOM 1132 CB ASN A 72 4.787 10.013 -5.970 1.00 0.00 C ATOM 1133 CG ASN A 72 6.284 10.096 -6.195 1.00 0.00 C ATOM 1134 OD1 ASN A 72 6.797 11.108 -6.672 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.995 9.028 -5.850 1.00 0.00 N ATOM 0 H ASN A 72 2.682 9.974 -4.691 1.00 0.00 H new ATOM 0 HA ASN A 72 4.910 11.577 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.562 9.136 -5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.286 9.875 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.007 9.026 -5.977 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.529 8.210 -5.458 1.00 0.00 H new ATOM 1142 N ASN A 73 2.922 12.610 -6.824 1.00 0.00 N ATOM 1143 CA ASN A 73 2.702 13.670 -7.799 1.00 0.00 C ATOM 1144 C ASN A 73 2.421 15.012 -7.121 1.00 0.00 C ATOM 1145 O ASN A 73 2.158 16.007 -7.796 1.00 0.00 O ATOM 1146 CB ASN A 73 1.543 13.301 -8.728 1.00 0.00 C ATOM 1147 CG ASN A 73 1.908 13.445 -10.192 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.145 12.455 -10.884 1.00 0.00 O ATOM 1149 ND2 ASN A 73 1.957 14.682 -10.671 1.00 0.00 N ATOM 0 H ASN A 73 2.092 12.061 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 73 3.616 13.776 -8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.237 12.273 -8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.686 13.937 -8.506 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.199 14.841 -11.649 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.753 15.474 -10.061 1.00 0.00 H new ATOM 1156 N HIS A 74 2.472 15.041 -5.789 1.00 0.00 N ATOM 1157 CA HIS A 74 2.211 16.276 -5.053 1.00 0.00 C ATOM 1158 C HIS A 74 2.948 16.323 -3.722 1.00 0.00 C ATOM 1159 O HIS A 74 2.435 16.876 -2.753 1.00 0.00 O ATOM 1160 CB HIS A 74 0.709 16.447 -4.820 1.00 0.00 C ATOM 1161 CG HIS A 74 -0.010 17.107 -5.959 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.626 17.882 -6.908 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -1.322 17.104 -6.297 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.265 18.326 -7.778 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -1.452 17.868 -7.430 1.00 0.00 N ATOM 0 H HIS A 74 2.689 14.234 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 74 2.584 17.097 -5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.265 15.468 -4.641 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.556 17.036 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.117 16.595 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.056 18.957 -8.629 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.326 18.052 -7.923 1.00 0.00 H new ATOM 1174 N LEU A 75 4.169 15.784 -3.682 1.00 0.00 N ATOM 1175 CA LEU A 75 4.967 15.829 -2.459 1.00 0.00 C ATOM 1176 C LEU A 75 5.029 17.269 -1.966 1.00 0.00 C ATOM 1177 O LEU A 75 5.935 18.022 -2.324 1.00 0.00 O ATOM 1178 CB LEU A 75 6.385 15.316 -2.723 1.00 0.00 C ATOM 1179 CG LEU A 75 6.732 13.967 -2.096 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.045 13.798 -0.748 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.361 12.833 -3.036 1.00 0.00 C ATOM 0 H LEU A 75 4.619 15.319 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 75 4.504 15.192 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.529 15.242 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.094 16.059 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 75 7.809 13.937 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.309 12.829 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.369 14.590 -0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.965 13.853 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.615 11.879 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.291 12.864 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.911 12.941 -3.971 1.00 0.00 H new ATOM 1193 N GLN A 76 4.033 17.654 -1.190 1.00 0.00 N ATOM 1194 CA GLN A 76 3.940 19.016 -0.697 1.00 0.00 C ATOM 1195 C GLN A 76 4.864 19.271 0.496 1.00 0.00 C ATOM 1196 O GLN A 76 5.447 20.348 0.617 1.00 0.00 O ATOM 1197 CB GLN A 76 2.493 19.333 -0.307 1.00 0.00 C ATOM 1198 CG GLN A 76 1.831 20.362 -1.211 1.00 0.00 C ATOM 1199 CD GLN A 76 1.571 21.678 -0.504 1.00 0.00 C ATOM 1200 OE1 GLN A 76 2.292 22.655 -0.703 1.00 0.00 O ATOM 1201 NE2 GLN A 76 0.537 21.707 0.328 1.00 0.00 N ATOM 0 H GLN A 76 3.276 17.042 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 76 4.262 19.673 -1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.909 18.413 -0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.474 19.698 0.720 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.466 20.539 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.888 19.961 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.033 20.872 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.313 22.564 0.833 1.00 0.00 H new ATOM 1210 N GLY A 77 4.971 18.291 1.390 1.00 0.00 N ATOM 1211 CA GLY A 77 5.801 18.458 2.573 1.00 0.00 C ATOM 1212 C GLY A 77 7.157 17.781 2.479 1.00 0.00 C ATOM 1213 O GLY A 77 7.756 17.449 3.502 1.00 0.00 O ATOM 0 H GLY A 77 4.501 17.389 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.950 19.523 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.268 18.061 3.437 1.00 0.00 H new ATOM 1217 N GLY A 78 7.652 17.582 1.263 1.00 0.00 N ATOM 1218 CA GLY A 78 8.947 16.951 1.093 1.00 0.00 C ATOM 1219 C GLY A 78 8.859 15.440 1.007 1.00 0.00 C ATOM 1220 O GLY A 78 8.266 14.791 1.868 1.00 0.00 O ATOM 0 H GLY A 78 7.183 17.845 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.417 17.335 0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.592 17.226 1.928 1.00 0.00 H new ATOM 1224 N LYS A 79 9.450 14.886 -0.044 1.00 0.00 N ATOM 1225 CA LYS A 79 9.443 13.440 -0.269 1.00 0.00 C ATOM 1226 C LYS A 79 9.888 12.653 0.962 1.00 0.00 C ATOM 1227 O LYS A 79 9.599 11.466 1.066 1.00 0.00 O ATOM 1228 CB LYS A 79 10.318 13.064 -1.474 1.00 0.00 C ATOM 1229 CG LYS A 79 11.540 13.952 -1.675 1.00 0.00 C ATOM 1230 CD LYS A 79 12.491 13.884 -0.491 1.00 0.00 C ATOM 1231 CE LYS A 79 12.539 15.202 0.264 1.00 0.00 C ATOM 1232 NZ LYS A 79 13.728 16.014 -0.113 1.00 0.00 N ATOM 0 H LYS A 79 9.944 15.418 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 79 8.409 13.168 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.651 12.033 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.706 13.101 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.065 13.647 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.219 14.983 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.176 13.088 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.491 13.628 -0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.632 15.770 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.558 15.006 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.724 16.905 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.595 15.482 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.697 16.223 -1.131 1.00 0.00 H new ATOM 1246 N HIS A 80 10.589 13.304 1.886 1.00 0.00 N ATOM 1247 CA HIS A 80 11.067 12.632 3.098 1.00 0.00 C ATOM 1248 C HIS A 80 10.013 11.684 3.669 1.00 0.00 C ATOM 1249 O HIS A 80 10.336 10.593 4.138 1.00 0.00 O ATOM 1250 CB HIS A 80 11.473 13.662 4.153 1.00 0.00 C ATOM 1251 CG HIS A 80 12.437 13.134 5.167 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.319 13.379 6.520 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.545 12.366 5.023 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.310 12.787 7.162 1.00 0.00 C ATOM 1255 NE2 HIS A 80 14.067 12.166 6.277 1.00 0.00 N ATOM 0 H HIS A 80 10.839 14.291 1.823 1.00 0.00 H new ATOM 0 HA HIS A 80 11.938 12.038 2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.918 14.523 3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.579 14.017 4.665 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.943 11.983 4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.473 12.808 8.229 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.905 11.625 6.490 1.00 0.00 H new ATOM 1264 N THR A 81 8.754 12.098 3.605 1.00 0.00 N ATOM 1265 CA THR A 81 7.653 11.275 4.093 1.00 0.00 C ATOM 1266 C THR A 81 7.474 10.074 3.182 1.00 0.00 C ATOM 1267 O THR A 81 7.826 8.950 3.538 1.00 0.00 O ATOM 1268 CB THR A 81 6.368 12.108 4.144 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.285 12.824 5.363 1.00 0.00 O ATOM 1270 CG2 THR A 81 5.086 11.305 3.998 1.00 0.00 C ATOM 0 H THR A 81 8.469 12.999 3.220 1.00 0.00 H new ATOM 0 HA THR A 81 7.878 10.921 5.099 1.00 0.00 H new ATOM 0 HB THR A 81 6.443 12.774 3.284 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.344 12.948 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.229 11.976 4.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.088 10.787 3.039 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.020 10.575 4.804 1.00 0.00 H new ATOM 1278 N VAL A 82 6.933 10.329 1.998 1.00 0.00 N ATOM 1279 CA VAL A 82 6.709 9.280 1.017 1.00 0.00 C ATOM 1280 C VAL A 82 7.945 8.410 0.859 1.00 0.00 C ATOM 1281 O VAL A 82 7.829 7.205 0.698 1.00 0.00 O ATOM 1282 CB VAL A 82 6.323 9.862 -0.352 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.988 8.746 -1.332 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.160 10.830 -0.202 1.00 0.00 C ATOM 0 H VAL A 82 6.641 11.258 1.695 1.00 0.00 H new ATOM 0 HA VAL A 82 5.883 8.671 1.386 1.00 0.00 H new ATOM 0 HB VAL A 82 7.174 10.413 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.717 9.177 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.855 8.098 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.151 8.163 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.896 11.236 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.302 10.305 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.448 11.644 0.463 1.00 0.00 H new ATOM 1294 N HIS A 83 9.130 9.017 0.926 1.00 0.00 N ATOM 1295 CA HIS A 83 10.365 8.253 0.804 1.00 0.00 C ATOM 1296 C HIS A 83 10.327 7.070 1.759 1.00 0.00 C ATOM 1297 O HIS A 83 10.716 5.956 1.411 1.00 0.00 O ATOM 1298 CB HIS A 83 11.582 9.135 1.104 1.00 0.00 C ATOM 1299 CG HIS A 83 12.553 9.218 -0.032 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.894 8.927 0.102 1.00 0.00 N ATOM 1301 CD2 HIS A 83 12.373 9.563 -1.330 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.497 9.089 -1.063 1.00 0.00 C ATOM 1303 NE2 HIS A 83 13.595 9.474 -1.947 1.00 0.00 N ATOM 0 H HIS A 83 9.258 10.020 1.062 1.00 0.00 H new ATOM 0 HA HIS A 83 10.453 7.890 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.240 10.139 1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.096 8.745 1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.441 9.854 -1.792 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.548 8.933 -1.258 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.777 9.673 -2.931 1.00 0.00 H new ATOM 1312 N HIS A 84 9.829 7.324 2.964 1.00 0.00 N ATOM 1313 CA HIS A 84 9.710 6.282 3.970 1.00 0.00 C ATOM 1314 C HIS A 84 8.523 5.375 3.663 1.00 0.00 C ATOM 1315 O HIS A 84 8.520 4.199 4.028 1.00 0.00 O ATOM 1316 CB HIS A 84 9.560 6.895 5.363 1.00 0.00 C ATOM 1317 CG HIS A 84 9.783 5.918 6.475 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.754 5.274 7.128 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.927 5.474 7.050 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.253 4.478 8.057 1.00 0.00 C ATOM 1321 NE2 HIS A 84 10.569 4.580 8.029 1.00 0.00 N ATOM 0 H HIS A 84 9.502 8.242 3.265 1.00 0.00 H new ATOM 0 HA HIS A 84 10.620 5.683 3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.267 7.718 5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.561 7.319 5.458 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.932 5.768 6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.682 3.851 8.725 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.215 4.076 8.636 1.00 0.00 H new ATOM 1330 N ILE A 85 7.516 5.926 2.989 1.00 0.00 N ATOM 1331 CA ILE A 85 6.329 5.154 2.639 1.00 0.00 C ATOM 1332 C ILE A 85 6.557 4.366 1.350 1.00 0.00 C ATOM 1333 O ILE A 85 6.059 3.255 1.202 1.00 0.00 O ATOM 1334 CB ILE A 85 5.040 6.035 2.543 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.634 6.335 1.100 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.193 7.334 3.311 1.00 0.00 C ATOM 1337 CD1 ILE A 85 3.155 6.642 0.959 1.00 0.00 C ATOM 0 H ILE A 85 7.499 6.897 2.677 1.00 0.00 H new ATOM 0 HA ILE A 85 6.159 4.449 3.452 1.00 0.00 H new ATOM 0 HB ILE A 85 4.244 5.444 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.213 7.182 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.885 5.481 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.278 7.920 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.382 7.115 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.029 7.902 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.924 6.847 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.572 5.786 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.905 7.514 1.564 1.00 0.00 H new ATOM 1349 N GLU A 86 7.331 4.936 0.428 1.00 0.00 N ATOM 1350 CA GLU A 86 7.635 4.264 -0.831 1.00 0.00 C ATOM 1351 C GLU A 86 8.637 3.149 -0.591 1.00 0.00 C ATOM 1352 O GLU A 86 8.392 2.008 -0.966 1.00 0.00 O ATOM 1353 CB GLU A 86 8.172 5.247 -1.883 1.00 0.00 C ATOM 1354 CG GLU A 86 9.166 6.261 -1.348 1.00 0.00 C ATOM 1355 CD GLU A 86 10.440 6.320 -2.167 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.352 6.236 -3.410 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.527 6.451 -1.565 1.00 0.00 O ATOM 0 H GLU A 86 7.757 5.857 0.530 1.00 0.00 H new ATOM 0 HA GLU A 86 6.709 3.841 -1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.647 4.679 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.331 5.780 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.701 7.247 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.414 6.012 -0.316 1.00 0.00 H new ATOM 1364 N GLN A 87 9.750 3.463 0.072 1.00 0.00 N ATOM 1365 CA GLN A 87 10.742 2.441 0.375 1.00 0.00 C ATOM 1366 C GLN A 87 10.063 1.292 1.105 1.00 0.00 C ATOM 1367 O GLN A 87 10.478 0.137 1.008 1.00 0.00 O ATOM 1368 CB GLN A 87 11.882 3.018 1.224 1.00 0.00 C ATOM 1369 CG GLN A 87 12.822 3.942 0.458 1.00 0.00 C ATOM 1370 CD GLN A 87 13.113 3.463 -0.953 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.158 3.668 -1.854 1.00 0.00 O flip ATOM 1372 NE2 GLN A 87 14.181 2.915 -1.228 1.00 0.00 N flip ATOM 0 H GLN A 87 9.982 4.400 0.403 1.00 0.00 H new ATOM 0 HA GLN A 87 11.176 2.077 -0.556 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.454 3.567 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.461 2.195 1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 87 12.384 4.939 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.760 4.030 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.886 2.779 -0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.361 2.598 -2.180 1.00 0.00 H new ATOM 1381 N ASN A 88 8.990 1.628 1.817 1.00 0.00 N ATOM 1382 CA ASN A 88 8.212 0.644 2.545 1.00 0.00 C ATOM 1383 C ASN A 88 7.218 -0.034 1.609 1.00 0.00 C ATOM 1384 O ASN A 88 7.343 -1.222 1.323 1.00 0.00 O ATOM 1385 CB ASN A 88 7.473 1.304 3.712 1.00 0.00 C ATOM 1386 CG ASN A 88 8.246 1.206 5.012 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.882 0.444 5.907 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.321 1.979 5.123 1.00 0.00 N ATOM 0 H ASN A 88 8.642 2.583 1.902 1.00 0.00 H new ATOM 0 HA ASN A 88 8.890 -0.109 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.292 2.353 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.498 0.832 3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.881 1.955 5.975 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.587 2.596 4.356 1.00 0.00 H new ATOM 1395 N ILE A 89 6.233 0.735 1.130 1.00 0.00 N ATOM 1396 CA ILE A 89 5.213 0.208 0.223 1.00 0.00 C ATOM 1397 C ILE A 89 5.837 -0.538 -0.945 1.00 0.00 C ATOM 1398 O ILE A 89 5.271 -1.512 -1.438 1.00 0.00 O ATOM 1399 CB ILE A 89 4.260 1.322 -0.306 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.849 1.074 0.210 1.00 0.00 C ATOM 1401 CG2 ILE A 89 4.238 1.396 -1.834 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.211 2.283 0.863 1.00 0.00 C ATOM 0 H ILE A 89 6.123 1.723 1.357 1.00 0.00 H new ATOM 0 HA ILE A 89 4.618 -0.493 0.808 1.00 0.00 H new ATOM 0 HB ILE A 89 4.639 2.275 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.222 0.748 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.875 0.256 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.559 2.188 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.241 1.610 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.898 0.443 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.208 2.026 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.814 2.597 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.151 3.097 0.141 1.00 0.00 H new ATOM 1414 N LYS A 90 6.999 -0.090 -1.391 1.00 0.00 N ATOM 1415 CA LYS A 90 7.649 -0.759 -2.499 1.00 0.00 C ATOM 1416 C LYS A 90 8.103 -2.148 -2.063 1.00 0.00 C ATOM 1417 O LYS A 90 8.238 -3.057 -2.879 1.00 0.00 O ATOM 1418 CB LYS A 90 8.837 0.047 -3.033 1.00 0.00 C ATOM 1419 CG LYS A 90 8.518 0.832 -4.296 1.00 0.00 C ATOM 1420 CD LYS A 90 8.192 2.284 -3.985 1.00 0.00 C ATOM 1421 CE LYS A 90 8.602 3.201 -5.125 1.00 0.00 C ATOM 1422 NZ LYS A 90 7.684 3.081 -6.292 1.00 0.00 N ATOM 0 H LYS A 90 7.499 0.714 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 90 6.927 -0.848 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.174 0.738 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.665 -0.632 -3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.368 0.787 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.674 0.371 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.123 2.387 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.704 2.586 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.611 4.233 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.619 2.961 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.998 3.722 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.694 2.102 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.718 3.335 -6.002 1.00 0.00 H new ATOM 1436 N GLU A 91 8.316 -2.308 -0.759 1.00 0.00 N ATOM 1437 CA GLU A 91 8.725 -3.588 -0.199 1.00 0.00 C ATOM 1438 C GLU A 91 7.495 -4.442 0.112 1.00 0.00 C ATOM 1439 O GLU A 91 7.615 -5.604 0.501 1.00 0.00 O ATOM 1440 CB GLU A 91 9.551 -3.377 1.072 1.00 0.00 C ATOM 1441 CG GLU A 91 11.051 -3.423 0.838 1.00 0.00 C ATOM 1442 CD GLU A 91 11.639 -4.799 1.081 1.00 0.00 C ATOM 1443 OE1 GLU A 91 11.103 -5.530 1.940 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.634 -5.146 0.411 1.00 0.00 O ATOM 0 H GLU A 91 8.211 -1.563 -0.071 1.00 0.00 H new ATOM 0 HA GLU A 91 9.342 -4.107 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.289 -2.413 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.282 -4.141 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.264 -3.117 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.539 -2.703 1.494 1.00 0.00 H new ATOM 1451 N ILE A 92 6.312 -3.855 -0.074 1.00 0.00 N ATOM 1452 CA ILE A 92 5.062 -4.547 0.169 1.00 0.00 C ATOM 1453 C ILE A 92 4.762 -5.468 -1.002 1.00 0.00 C ATOM 1454 O ILE A 92 4.637 -6.680 -0.836 1.00 0.00 O ATOM 1455 CB ILE A 92 3.906 -3.536 0.389 1.00 0.00 C ATOM 1456 CG1 ILE A 92 3.853 -3.128 1.855 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.558 -4.086 -0.049 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.093 -2.401 2.309 1.00 0.00 C ATOM 0 H ILE A 92 6.202 -2.893 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 92 5.153 -5.143 1.077 1.00 0.00 H new ATOM 0 HB ILE A 92 4.112 -2.665 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.984 -2.490 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.715 -4.018 2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.785 -3.338 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.592 -4.330 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.329 -4.986 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.995 -2.137 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.962 -3.046 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.220 -1.494 1.718 1.00 0.00 H new ATOM 1470 N PHE A 93 4.681 -4.884 -2.195 1.00 0.00 N ATOM 1471 CA PHE A 93 4.421 -5.653 -3.405 1.00 0.00 C ATOM 1472 C PHE A 93 5.301 -6.901 -3.447 1.00 0.00 C ATOM 1473 O PHE A 93 4.833 -7.993 -3.760 1.00 0.00 O ATOM 1474 CB PHE A 93 4.666 -4.783 -4.644 1.00 0.00 C ATOM 1475 CG PHE A 93 6.032 -4.954 -5.245 1.00 0.00 C ATOM 1476 CD1 PHE A 93 6.340 -6.084 -5.983 1.00 0.00 C ATOM 1477 CD2 PHE A 93 7.009 -3.994 -5.054 1.00 0.00 C ATOM 1478 CE1 PHE A 93 7.597 -6.255 -6.521 1.00 0.00 C ATOM 1479 CE2 PHE A 93 8.271 -4.156 -5.593 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.566 -5.289 -6.328 1.00 0.00 C ATOM 0 H PHE A 93 4.792 -3.882 -2.348 1.00 0.00 H new ATOM 0 HA PHE A 93 3.378 -5.970 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.915 -5.021 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.526 -3.736 -4.375 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.586 -6.841 -6.139 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.783 -3.109 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.824 -7.143 -7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.026 -3.399 -5.440 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.551 -5.419 -6.750 1.00 0.00 H new ATOM 1490 N HIS A 94 6.582 -6.728 -3.124 1.00 0.00 N ATOM 1491 CA HIS A 94 7.522 -7.841 -3.121 1.00 0.00 C ATOM 1492 C HIS A 94 7.038 -8.926 -2.174 1.00 0.00 C ATOM 1493 O HIS A 94 6.746 -10.042 -2.593 1.00 0.00 O ATOM 1494 CB HIS A 94 8.916 -7.363 -2.709 1.00 0.00 C ATOM 1495 CG HIS A 94 10.023 -8.020 -3.475 1.00 0.00 C ATOM 1496 ND1 HIS A 94 9.921 -8.349 -4.811 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.260 -8.409 -3.086 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.047 -8.913 -5.209 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.876 -8.960 -4.183 1.00 0.00 N ATOM 0 H HIS A 94 6.989 -5.830 -2.862 1.00 0.00 H new ATOM 0 HA HIS A 94 7.582 -8.251 -4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.978 -6.284 -2.850 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.057 -7.554 -1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.683 -8.305 -2.098 1.00 0.00 H new ATOM 0 HE1 HIS A 94 11.254 -9.275 -6.205 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.821 -9.343 -4.202 1.00 0.00 H new ATOM 1508 N HIS A 95 6.923 -8.578 -0.898 1.00 0.00 N ATOM 1509 CA HIS A 95 6.441 -9.520 0.102 1.00 0.00 C ATOM 1510 C HIS A 95 5.016 -9.965 -0.224 1.00 0.00 C ATOM 1511 O HIS A 95 4.508 -10.923 0.360 1.00 0.00 O ATOM 1512 CB HIS A 95 6.488 -8.889 1.495 1.00 0.00 C ATOM 1513 CG HIS A 95 7.707 -9.264 2.280 1.00 0.00 C ATOM 1514 ND1 HIS A 95 7.650 -9.911 3.496 1.00 0.00 N ATOM 1515 CD2 HIS A 95 9.023 -9.079 2.017 1.00 0.00 C ATOM 1516 CE1 HIS A 95 8.876 -10.108 3.947 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.727 -9.614 3.068 1.00 0.00 N ATOM 0 H HIS A 95 7.156 -7.654 -0.533 1.00 0.00 H new ATOM 0 HA HIS A 95 7.091 -10.395 0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.449 -7.804 1.395 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.600 -9.190 2.052 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.441 -8.600 1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.137 -10.591 4.877 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.743 -9.627 3.155 1.00 0.00 H new ATOM 1526 N LEU A 96 4.374 -9.268 -1.164 1.00 0.00 N ATOM 1527 CA LEU A 96 3.014 -9.598 -1.566 1.00 0.00 C ATOM 1528 C LEU A 96 3.025 -10.610 -2.698 1.00 0.00 C ATOM 1529 O LEU A 96 2.590 -11.750 -2.532 1.00 0.00 O ATOM 1530 CB LEU A 96 2.278 -8.337 -2.009 1.00 0.00 C ATOM 1531 CG LEU A 96 1.894 -7.382 -0.887 1.00 0.00 C ATOM 1532 CD1 LEU A 96 0.964 -6.300 -1.412 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.246 -8.123 0.270 1.00 0.00 C ATOM 0 H LEU A 96 4.778 -8.472 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 96 2.497 -10.033 -0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.905 -7.801 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.373 -8.632 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 96 2.806 -6.914 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.697 -5.624 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.466 -5.739 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.061 -6.760 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.983 -7.414 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.345 -8.627 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.944 -8.861 0.666 1.00 0.00 H new ATOM 1545 N GLU A 97 3.542 -10.190 -3.845 1.00 0.00 N ATOM 1546 CA GLU A 97 3.630 -11.063 -5.002 1.00 0.00 C ATOM 1547 C GLU A 97 4.566 -12.232 -4.710 1.00 0.00 C ATOM 1548 O GLU A 97 4.582 -13.222 -5.441 1.00 0.00 O ATOM 1549 CB GLU A 97 4.122 -10.284 -6.224 1.00 0.00 C ATOM 1550 CG GLU A 97 3.016 -9.921 -7.201 1.00 0.00 C ATOM 1551 CD GLU A 97 3.502 -9.857 -8.635 1.00 0.00 C ATOM 1552 OE1 GLU A 97 4.166 -8.862 -8.993 1.00 0.00 O ATOM 1553 OE2 GLU A 97 3.220 -10.803 -9.401 1.00 0.00 O ATOM 0 H GLU A 97 3.906 -9.249 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 97 2.636 -11.454 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.613 -9.370 -5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.874 -10.877 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 97 2.214 -10.656 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.592 -8.957 -6.922 1.00 0.00 H new ATOM 1560 N GLU A 98 5.341 -12.116 -3.631 1.00 0.00 N ATOM 1561 CA GLU A 98 6.268 -13.179 -3.252 1.00 0.00 C ATOM 1562 C GLU A 98 5.566 -14.217 -2.382 1.00 0.00 C ATOM 1563 O GLU A 98 5.974 -15.378 -2.331 1.00 0.00 O ATOM 1564 CB GLU A 98 7.480 -12.606 -2.515 1.00 0.00 C ATOM 1565 CG GLU A 98 8.579 -13.623 -2.263 1.00 0.00 C ATOM 1566 CD GLU A 98 9.376 -13.939 -3.513 1.00 0.00 C ATOM 1567 OE1 GLU A 98 8.756 -14.285 -4.541 1.00 0.00 O ATOM 1568 OE2 GLU A 98 10.621 -13.841 -3.466 1.00 0.00 O ATOM 0 H GLU A 98 5.345 -11.306 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 98 6.616 -13.664 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.889 -11.779 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.152 -12.195 -1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.251 -13.243 -1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.138 -14.541 -1.876 1.00 0.00 H new ATOM 1575 N LEU A 99 4.504 -13.792 -1.703 1.00 0.00 N ATOM 1576 CA LEU A 99 3.739 -14.684 -0.842 1.00 0.00 C ATOM 1577 C LEU A 99 2.958 -15.694 -1.674 1.00 0.00 C ATOM 1578 O LEU A 99 3.114 -16.904 -1.508 1.00 0.00 O ATOM 1579 CB LEU A 99 2.779 -13.876 0.034 1.00 0.00 C ATOM 1580 CG LEU A 99 1.866 -14.707 0.936 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.558 -15.013 2.256 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.552 -13.980 1.175 1.00 0.00 C ATOM 0 H LEU A 99 4.155 -12.834 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 99 4.436 -15.225 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.364 -13.201 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.158 -13.255 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 99 1.650 -15.651 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.894 -15.605 2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.473 -15.574 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.803 -14.080 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.087 -14.585 1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.749 -13.022 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.051 -13.812 0.222 1.00 0.00 H new ATOM 1594 N VAL A 100 2.120 -15.187 -2.571 1.00 0.00 N ATOM 1595 CA VAL A 100 1.313 -16.044 -3.433 1.00 0.00 C ATOM 1596 C VAL A 100 2.193 -16.943 -4.296 1.00 0.00 C ATOM 1597 O VAL A 100 1.787 -18.040 -4.681 1.00 0.00 O ATOM 1598 CB VAL A 100 0.396 -15.210 -4.348 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.516 -16.115 -5.166 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.417 -14.221 -3.527 1.00 0.00 C ATOM 0 H VAL A 100 1.981 -14.188 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 100 0.699 -16.664 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 100 1.021 -14.647 -5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.155 -15.506 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.089 -16.778 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.136 -16.710 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.059 -13.640 -4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.032 -14.763 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.257 -13.550 -2.994 1.00 0.00 H new ATOM 1610 N HIS A 101 3.398 -16.471 -4.600 1.00 0.00 N ATOM 1611 CA HIS A 101 4.334 -17.233 -5.420 1.00 0.00 C ATOM 1612 C HIS A 101 5.317 -18.011 -4.553 1.00 0.00 C ATOM 1613 O HIS A 101 6.473 -18.204 -4.930 1.00 0.00 O ATOM 1614 CB HIS A 101 5.096 -16.295 -6.358 1.00 0.00 C ATOM 1615 CG HIS A 101 5.453 -16.922 -7.670 1.00 0.00 C ATOM 1616 ND1 HIS A 101 5.534 -16.208 -8.847 1.00 0.00 N ATOM 1617 CD2 HIS A 101 5.751 -18.204 -7.988 1.00 0.00 C ATOM 1618 CE1 HIS A 101 5.866 -17.024 -9.832 1.00 0.00 C ATOM 1619 NE2 HIS A 101 6.004 -18.240 -9.337 1.00 0.00 N ATOM 0 H HIS A 101 3.749 -15.565 -4.291 1.00 0.00 H new ATOM 0 HA HIS A 101 3.761 -17.947 -6.011 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.491 -15.407 -6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.008 -15.962 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.784 -19.042 -7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.001 -16.744 -10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 101 6.258 -19.072 -9.870 1.00 0.00 H new ATOM 1628 N ARG A 102 4.853 -18.455 -3.390 1.00 0.00 N ATOM 1629 CA ARG A 102 5.694 -19.213 -2.471 1.00 0.00 C ATOM 1630 C ARG A 102 5.228 -20.662 -2.378 1.00 0.00 C ATOM 1631 O ARG A 102 6.039 -21.564 -2.677 1.00 0.00 O ATOM 1632 CB ARG A 102 5.676 -18.569 -1.084 1.00 0.00 C ATOM 1633 CG ARG A 102 6.959 -18.784 -0.296 1.00 0.00 C ATOM 1634 CD ARG A 102 7.874 -17.573 -0.377 1.00 0.00 C ATOM 1635 NE ARG A 102 9.057 -17.834 -1.194 1.00 0.00 N ATOM 1636 CZ ARG A 102 10.088 -16.998 -1.295 1.00 0.00 C ATOM 1637 NH1 ARG A 102 10.085 -15.848 -0.633 1.00 0.00 N ATOM 1638 NH2 ARG A 102 11.124 -17.313 -2.060 1.00 0.00 N ATOM 1639 OXT ARG A 102 4.056 -20.884 -2.005 1.00 0.00 O ATOM 0 H ARG A 102 3.899 -18.303 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 102 6.714 -19.202 -2.856 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.501 -17.499 -1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.838 -18.973 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 102 6.716 -18.989 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.480 -19.661 -0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.324 -16.730 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.184 -17.285 0.628 1.00 0.00 H new ATOM 0 HE ARG A 102 9.095 -18.708 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.290 -15.601 -0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.877 -15.211 -0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.131 -18.196 -2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.914 -16.673 -2.138 1.00 0.00 H new TER 1653 ARG A 102