USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=20 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 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 81 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -1.91 K(o=-2.2,f=-4.8!) USER MOD Set 2.2: A 66 GLN :FLIP amide:sc= -0.277 F(o=-3.6!,f=-2.2) USER MOD Set 3.1: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 31 ASN :FLIP amide:sc= -0.588 F(o=-5.2!,f=-0.59) USER MOD Set 4.1: A 29 ASN : amide:sc= -4.64! C(o=-20!,f=-25!) USER MOD Set 4.2: A 74 GLN :FLIP amide:sc= -15.5! C(o=-22!,f=-20!) USER MOD Set 5.1: A 1 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 5.2: A 45 HIS : no HD1:sc= 0.297 K(o=-4.6,f=-17!) USER MOD Set 5.3: A 48 MET CE :methyl -157:sc= -0.139 (180deg=-1.08) USER MOD Set 5.4: A 49 GLN :FLIP amide:sc= -4.76! C(o=-9!,f=-4.6!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (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 6 ASN :FLIP amide:sc= -3.63! C(o=-6!,f=-3.6!) USER MOD Single : A 13 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-2.8!) USER MOD Single : A 20 ASN :FLIP amide:sc= -1 F(o=-2.2,f=-1) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.319 F(o=-1.6!,f=-0.32) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 145:sc= -0.0962 (180deg=-0.613) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.41) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.1!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= -1.27! (180deg=-1.34) USER MOD Single : A 58 GLN :FLIP amide:sc= -7.89! C(o=-9!,f=-7.9!) USER MOD Single : A 60 MET CE :methyl 141:sc= -1.18 (180deg=-2.98!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -4.42! C(o=-8.7!,f=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.18) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.696 F(o=-2!,f=-0.7) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.112 F(o=-0.68,f=-0.11) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.639 F(o=-1.7!,f=-0.64) USER MOD Single : A 88 ASN : amide:sc= -0.907 X(o=-0.91,f=-0.75) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.082) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.009 -18.962 -11.731 1.00 0.00 N ATOM 2 CA MET A 1 4.110 -17.573 -11.197 1.00 0.00 C ATOM 3 C MET A 1 3.108 -16.673 -11.922 1.00 0.00 C ATOM 4 O MET A 1 3.390 -16.135 -12.975 1.00 0.00 O ATOM 5 CB MET A 1 5.527 -17.044 -11.422 1.00 0.00 C ATOM 6 CG MET A 1 5.809 -15.906 -10.439 1.00 0.00 C ATOM 7 SD MET A 1 7.537 -15.388 -10.596 1.00 0.00 S ATOM 8 CE MET A 1 7.234 -13.823 -11.452 1.00 0.00 C ATOM 0 H1 MET A 1 4.690 -19.574 -11.238 1.00 0.00 H new ATOM 0 H2 MET A 1 3.046 -19.323 -11.579 1.00 0.00 H new ATOM 0 H3 MET A 1 4.220 -18.959 -12.749 1.00 0.00 H new ATOM 0 HA MET A 1 3.888 -17.576 -10.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.252 -17.846 -11.284 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.636 -16.689 -12.447 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.146 -15.064 -10.640 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.608 -16.234 -9.419 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.183 -13.319 -11.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.738 -14.018 -12.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.599 -13.188 -10.835 1.00 0.00 H new ATOM 20 N TYR A 2 1.938 -16.505 -11.369 1.00 0.00 N ATOM 21 CA TYR A 2 0.919 -15.639 -12.027 1.00 0.00 C ATOM 22 C TYR A 2 1.574 -14.333 -12.485 1.00 0.00 C ATOM 23 O TYR A 2 1.857 -14.144 -13.651 1.00 0.00 O ATOM 24 CB TYR A 2 -0.201 -15.327 -11.032 1.00 0.00 C ATOM 25 CG TYR A 2 0.076 -16.030 -9.726 1.00 0.00 C ATOM 26 CD1 TYR A 2 1.091 -15.564 -8.881 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.683 -17.147 -9.358 1.00 0.00 C ATOM 28 CE1 TYR A 2 1.346 -16.216 -7.668 1.00 0.00 C ATOM 29 CE2 TYR A 2 -0.428 -17.798 -8.145 1.00 0.00 C ATOM 30 CZ TYR A 2 0.587 -17.333 -7.301 1.00 0.00 C ATOM 31 OH TYR A 2 0.838 -17.975 -6.105 1.00 0.00 O ATOM 0 H TYR A 2 1.644 -16.930 -10.490 1.00 0.00 H new ATOM 0 HA TYR A 2 0.505 -16.158 -12.891 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.269 -14.251 -10.871 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.161 -15.651 -11.435 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.677 -14.702 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.465 -17.507 -10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 2 2.128 -15.857 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.015 -18.659 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 2 0.221 -18.730 -6.003 1.00 0.00 H new ATOM 41 N GLY A 3 1.815 -13.431 -11.574 1.00 0.00 N ATOM 42 CA GLY A 3 2.450 -12.136 -11.954 1.00 0.00 C ATOM 43 C GLY A 3 1.567 -10.979 -11.482 1.00 0.00 C ATOM 44 O GLY A 3 2.043 -9.901 -11.189 1.00 0.00 O ATOM 0 H GLY A 3 1.600 -13.534 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.440 -12.059 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.585 -12.088 -13.035 1.00 0.00 H new ATOM 48 N LYS A 4 0.281 -11.193 -11.407 1.00 0.00 N ATOM 49 CA LYS A 4 -0.631 -10.106 -10.953 1.00 0.00 C ATOM 50 C LYS A 4 0.048 -9.293 -9.852 1.00 0.00 C ATOM 51 O LYS A 4 0.001 -8.079 -9.853 1.00 0.00 O ATOM 52 CB LYS A 4 -1.923 -10.719 -10.419 1.00 0.00 C ATOM 53 CG LYS A 4 -2.311 -11.908 -11.298 1.00 0.00 C ATOM 54 CD LYS A 4 -3.805 -11.846 -11.622 1.00 0.00 C ATOM 55 CE LYS A 4 -4.241 -13.158 -12.278 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.384 -13.738 -11.518 1.00 0.00 N ATOM 0 H LYS A 4 -0.177 -12.074 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.861 -9.450 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.788 -11.042 -9.387 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.720 -9.976 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.729 -11.896 -12.219 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.079 -12.842 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.378 -11.675 -10.711 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.009 -11.008 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.532 -12.980 -13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.409 -13.862 -12.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.680 -14.630 -11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.091 -13.922 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.179 -13.068 -11.522 1.00 0.00 H new ATOM 70 N LEU A 5 0.684 -9.941 -8.914 1.00 0.00 N ATOM 71 CA LEU A 5 1.358 -9.177 -7.829 1.00 0.00 C ATOM 72 C LEU A 5 2.073 -7.981 -8.449 1.00 0.00 C ATOM 73 O LEU A 5 1.813 -6.847 -8.102 1.00 0.00 O ATOM 74 CB LEU A 5 2.388 -10.055 -7.115 1.00 0.00 C ATOM 75 CG LEU A 5 1.723 -11.287 -6.485 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.248 -11.014 -6.165 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.826 -12.470 -7.450 1.00 0.00 C ATOM 0 H LEU A 5 0.765 -10.956 -8.853 1.00 0.00 H new ATOM 0 HA LEU A 5 0.612 -8.849 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.153 -10.373 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.892 -9.475 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 5 2.239 -11.519 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.198 -11.903 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.176 -10.182 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.283 -10.762 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.354 -13.346 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.322 -12.222 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.875 -12.686 -7.650 1.00 0.00 H new ATOM 89 N ASN A 6 2.962 -8.221 -9.373 1.00 0.00 N ATOM 90 CA ASN A 6 3.673 -7.100 -10.018 1.00 0.00 C ATOM 91 C ASN A 6 2.687 -5.948 -10.198 1.00 0.00 C ATOM 92 O ASN A 6 3.046 -4.789 -10.113 1.00 0.00 O ATOM 93 CB ASN A 6 4.202 -7.573 -11.370 1.00 0.00 C ATOM 94 CG ASN A 6 3.144 -7.339 -12.449 1.00 0.00 C ATOM 95 OD1 ASN A 6 2.770 -6.122 -12.726 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 2.654 -8.276 -13.047 1.00 0.00 N flip ATOM 0 H ASN A 6 3.222 -9.150 -9.705 1.00 0.00 H new ATOM 0 HA ASN A 6 4.512 -6.762 -9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.116 -7.036 -11.621 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.457 -8.632 -11.321 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.947 -9.229 -12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.950 -8.110 -13.766 1.00 0.00 H new ATOM 103 N ASP A 7 1.435 -6.260 -10.420 1.00 0.00 N ATOM 104 CA ASP A 7 0.420 -5.183 -10.572 1.00 0.00 C ATOM 105 C ASP A 7 0.142 -4.590 -9.191 1.00 0.00 C ATOM 106 O ASP A 7 0.085 -3.388 -9.017 1.00 0.00 O ATOM 107 CB ASP A 7 -0.871 -5.767 -11.147 1.00 0.00 C ATOM 108 CG ASP A 7 -1.377 -4.876 -12.283 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.178 -3.675 -12.200 1.00 0.00 O ATOM 110 OD2 ASP A 7 -1.952 -5.409 -13.217 1.00 0.00 O ATOM 0 H ASP A 7 1.076 -7.211 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 7 0.789 -4.412 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.692 -6.777 -11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.627 -5.842 -10.366 1.00 0.00 H new ATOM 115 N LEU A 8 -0.005 -5.431 -8.202 1.00 0.00 N ATOM 116 CA LEU A 8 -0.249 -4.925 -6.823 1.00 0.00 C ATOM 117 C LEU A 8 1.035 -4.253 -6.336 1.00 0.00 C ATOM 118 O LEU A 8 1.021 -3.189 -5.753 1.00 0.00 O ATOM 119 CB LEU A 8 -0.572 -6.106 -5.897 1.00 0.00 C ATOM 120 CG LEU A 8 -2.056 -6.112 -5.518 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.449 -4.757 -4.930 1.00 0.00 C ATOM 122 CD2 LEU A 8 -2.906 -6.407 -6.758 1.00 0.00 C ATOM 0 H LEU A 8 0.034 -6.446 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.082 -4.222 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.315 -7.043 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.038 -6.044 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.230 -6.887 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.506 -4.769 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.852 -4.560 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.270 -3.975 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.961 -6.410 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.729 -5.639 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.633 -7.382 -7.163 1.00 0.00 H new ATOM 134 N LEU A 9 2.145 -4.893 -6.579 1.00 0.00 N ATOM 135 CA LEU A 9 3.459 -4.339 -6.149 1.00 0.00 C ATOM 136 C LEU A 9 3.716 -2.994 -6.830 1.00 0.00 C ATOM 137 O LEU A 9 3.764 -1.961 -6.192 1.00 0.00 O ATOM 138 CB LEU A 9 4.563 -5.320 -6.545 1.00 0.00 C ATOM 139 CG LEU A 9 5.704 -5.241 -5.534 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.836 -6.169 -5.971 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.222 -3.802 -5.462 1.00 0.00 C ATOM 0 H LEU A 9 2.198 -5.789 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 9 3.450 -4.193 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.166 -6.334 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.931 -5.085 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 9 5.342 -5.547 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.651 -6.113 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.467 -7.193 -6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.199 -5.864 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.037 -3.744 -4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.584 -3.496 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.414 -3.140 -5.151 1.00 0.00 H new ATOM 153 N GLU A 10 3.895 -3.002 -8.123 1.00 0.00 N ATOM 154 CA GLU A 10 4.164 -1.726 -8.845 1.00 0.00 C ATOM 155 C GLU A 10 3.108 -0.686 -8.469 1.00 0.00 C ATOM 156 O GLU A 10 3.421 0.378 -7.976 1.00 0.00 O ATOM 157 CB GLU A 10 4.123 -1.973 -10.355 1.00 0.00 C ATOM 158 CG GLU A 10 4.755 -0.784 -11.083 1.00 0.00 C ATOM 159 CD GLU A 10 6.129 -1.185 -11.623 1.00 0.00 C ATOM 160 OE1 GLU A 10 7.032 -1.355 -10.821 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.253 -1.315 -12.829 1.00 0.00 O ATOM 0 H GLU A 10 3.867 -3.836 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 10 5.150 -1.356 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.660 -2.890 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.093 -2.109 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.111 -0.462 -11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.853 0.062 -10.402 1.00 0.00 H new ATOM 168 N ASP A 11 1.860 -0.981 -8.702 1.00 0.00 N ATOM 169 CA ASP A 11 0.788 -0.005 -8.363 1.00 0.00 C ATOM 170 C ASP A 11 0.962 0.475 -6.919 1.00 0.00 C ATOM 171 O ASP A 11 1.099 1.654 -6.659 1.00 0.00 O ATOM 172 CB ASP A 11 -0.577 -0.675 -8.520 1.00 0.00 C ATOM 173 CG ASP A 11 -0.805 -1.032 -9.989 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.387 -0.262 -10.838 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.394 -2.072 -10.242 1.00 0.00 O ATOM 0 H ASP A 11 1.536 -1.857 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 11 0.853 0.851 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.626 -1.573 -7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.364 -0.007 -8.171 1.00 0.00 H new ATOM 180 N LEU A 12 0.948 -0.428 -5.976 1.00 0.00 N ATOM 181 CA LEU A 12 1.103 -0.023 -4.550 1.00 0.00 C ATOM 182 C LEU A 12 2.344 0.859 -4.382 1.00 0.00 C ATOM 183 O LEU A 12 2.284 1.924 -3.800 1.00 0.00 O ATOM 184 CB LEU A 12 1.249 -1.271 -3.677 1.00 0.00 C ATOM 185 CG LEU A 12 1.686 -0.858 -2.269 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.690 0.150 -1.698 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.729 -2.093 -1.367 1.00 0.00 C ATOM 0 H LEU A 12 0.836 -1.430 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 12 0.221 0.540 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.303 -1.810 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.982 -1.950 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 12 2.676 -0.404 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.003 0.443 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.656 1.031 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.300 -0.303 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.040 -1.800 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.738 -2.545 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.439 -2.814 -1.771 1.00 0.00 H new ATOM 199 N GLN A 13 3.472 0.425 -4.877 1.00 0.00 N ATOM 200 CA GLN A 13 4.710 1.244 -4.728 1.00 0.00 C ATOM 201 C GLN A 13 4.604 2.506 -5.592 1.00 0.00 C ATOM 202 O GLN A 13 5.383 3.429 -5.455 1.00 0.00 O ATOM 203 CB GLN A 13 5.930 0.410 -5.145 1.00 0.00 C ATOM 204 CG GLN A 13 6.369 0.782 -6.566 1.00 0.00 C ATOM 205 CD GLN A 13 7.453 -0.190 -7.035 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.440 -0.633 -8.166 1.00 0.00 O ATOM 207 NE2 GLN A 13 8.399 -0.543 -6.206 1.00 0.00 N ATOM 0 H GLN A 13 3.590 -0.457 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 13 4.826 1.544 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.750 0.580 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.686 -0.651 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.516 0.746 -7.243 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.748 1.804 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.410 -0.171 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.127 -1.191 -6.508 1.00 0.00 H new ATOM 216 N GLU A 14 3.645 2.558 -6.475 1.00 0.00 N ATOM 217 CA GLU A 14 3.489 3.764 -7.338 1.00 0.00 C ATOM 218 C GLU A 14 2.619 4.792 -6.614 1.00 0.00 C ATOM 219 O GLU A 14 2.997 5.935 -6.450 1.00 0.00 O ATOM 220 CB GLU A 14 2.821 3.372 -8.654 1.00 0.00 C ATOM 221 CG GLU A 14 3.874 2.839 -9.629 1.00 0.00 C ATOM 222 CD GLU A 14 3.215 2.538 -10.976 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.997 2.518 -11.026 1.00 0.00 O ATOM 224 OE2 GLU A 14 3.941 2.331 -11.936 1.00 0.00 O ATOM 0 H GLU A 14 2.962 1.818 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 14 4.470 4.192 -7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.060 2.612 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.314 4.235 -9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.670 3.572 -9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.334 1.936 -9.227 1.00 0.00 H new ATOM 231 N VAL A 15 1.452 4.399 -6.176 1.00 0.00 N ATOM 232 CA VAL A 15 0.571 5.359 -5.460 1.00 0.00 C ATOM 233 C VAL A 15 1.415 6.136 -4.449 1.00 0.00 C ATOM 234 O VAL A 15 1.191 7.303 -4.200 1.00 0.00 O ATOM 235 CB VAL A 15 -0.551 4.582 -4.750 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.541 3.130 -5.220 1.00 0.00 C ATOM 237 CG2 VAL A 15 -0.351 4.618 -3.230 1.00 0.00 C ATOM 0 H VAL A 15 1.074 3.458 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 15 0.118 6.061 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.506 5.048 -4.994 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.336 2.579 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.701 3.095 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.421 2.677 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.154 4.063 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.608 4.164 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.364 5.652 -2.886 1.00 0.00 H new ATOM 247 N LEU A 16 2.392 5.490 -3.871 1.00 0.00 N ATOM 248 CA LEU A 16 3.265 6.179 -2.882 1.00 0.00 C ATOM 249 C LEU A 16 4.195 7.143 -3.623 1.00 0.00 C ATOM 250 O LEU A 16 4.679 8.108 -3.065 1.00 0.00 O ATOM 251 CB LEU A 16 4.081 5.130 -2.108 1.00 0.00 C ATOM 252 CG LEU A 16 5.512 5.050 -2.661 1.00 0.00 C ATOM 253 CD1 LEU A 16 6.328 6.240 -2.145 1.00 0.00 C ATOM 254 CD2 LEU A 16 6.175 3.746 -2.200 1.00 0.00 C ATOM 0 H LEU A 16 2.622 4.511 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 16 2.660 6.745 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.107 5.389 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.599 4.155 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 16 5.476 5.074 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.343 6.183 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.864 7.170 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.358 6.215 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.190 3.694 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.208 3.720 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.599 2.896 -2.566 1.00 0.00 H new ATOM 266 N LYS A 17 4.444 6.892 -4.883 1.00 0.00 N ATOM 267 CA LYS A 17 5.338 7.800 -5.658 1.00 0.00 C ATOM 268 C LYS A 17 4.563 9.060 -6.047 1.00 0.00 C ATOM 269 O LYS A 17 4.946 10.164 -5.713 1.00 0.00 O ATOM 270 CB LYS A 17 5.823 7.089 -6.923 1.00 0.00 C ATOM 271 CG LYS A 17 7.179 7.664 -7.344 1.00 0.00 C ATOM 272 CD LYS A 17 6.988 9.092 -7.860 1.00 0.00 C ATOM 273 CE LYS A 17 8.276 9.571 -8.536 1.00 0.00 C ATOM 274 NZ LYS A 17 7.944 10.583 -9.578 1.00 0.00 N ATOM 0 H LYS A 17 4.068 6.101 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 17 6.198 8.072 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.911 6.018 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.097 7.217 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.866 7.660 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.625 7.042 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.160 9.126 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.730 9.756 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.949 10.003 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.798 8.727 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.819 10.908 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.318 10.156 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.464 11.392 -9.135 1.00 0.00 H new ATOM 288 N HIS A 18 3.470 8.905 -6.744 1.00 0.00 N ATOM 289 CA HIS A 18 2.670 10.095 -7.146 1.00 0.00 C ATOM 290 C HIS A 18 2.039 10.721 -5.902 1.00 0.00 C ATOM 291 O HIS A 18 1.135 11.527 -5.988 1.00 0.00 O ATOM 292 CB HIS A 18 1.570 9.670 -8.116 1.00 0.00 C ATOM 293 CG HIS A 18 0.668 10.841 -8.397 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.155 12.134 -8.527 1.00 0.00 N ATOM 295 CD2 HIS A 18 -0.690 10.931 -8.574 1.00 0.00 C ATOM 296 CE1 HIS A 18 0.105 12.940 -8.772 1.00 0.00 C ATOM 297 NE2 HIS A 18 -1.040 12.256 -8.809 1.00 0.00 N ATOM 0 H HIS A 18 3.098 8.007 -7.052 1.00 0.00 H new ATOM 0 HA HIS A 18 3.319 10.822 -7.634 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.010 9.305 -9.044 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.994 8.848 -7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.380 10.101 -8.537 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.180 14.007 -8.920 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.976 12.627 -8.975 1.00 0.00 H new ATOM 306 N VAL A 19 2.510 10.352 -4.743 1.00 0.00 N ATOM 307 CA VAL A 19 1.940 10.920 -3.489 1.00 0.00 C ATOM 308 C VAL A 19 3.069 11.468 -2.614 1.00 0.00 C ATOM 309 O VAL A 19 2.889 12.413 -1.873 1.00 0.00 O ATOM 310 CB VAL A 19 1.199 9.820 -2.729 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.055 10.217 -1.261 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.188 9.626 -3.343 1.00 0.00 C ATOM 0 H VAL A 19 3.266 9.681 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 19 1.250 11.726 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 19 1.763 8.890 -2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.526 9.431 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.043 10.356 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.492 11.148 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.719 8.842 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.750 10.558 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.086 9.340 -4.390 1.00 0.00 H new ATOM 322 N ASN A 20 4.232 10.881 -2.692 1.00 0.00 N ATOM 323 CA ASN A 20 5.369 11.369 -1.862 1.00 0.00 C ATOM 324 C ASN A 20 5.598 12.858 -2.132 1.00 0.00 C ATOM 325 O ASN A 20 6.128 13.573 -1.305 1.00 0.00 O ATOM 326 CB ASN A 20 6.635 10.587 -2.218 1.00 0.00 C ATOM 327 CG ASN A 20 6.824 9.436 -1.226 1.00 0.00 C ATOM 328 OD1 ASN A 20 5.784 8.942 -0.612 1.00 0.00 O flip ATOM 329 ND2 ASN A 20 7.930 8.982 -1.009 1.00 0.00 N flip ATOM 0 H ASN A 20 4.444 10.085 -3.294 1.00 0.00 H new ATOM 0 HA ASN A 20 5.136 11.222 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.560 10.197 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.502 11.248 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.743 9.368 -1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.045 8.215 -0.347 1.00 0.00 H new ATOM 336 N GLN A 21 5.202 13.331 -3.281 1.00 0.00 N ATOM 337 CA GLN A 21 5.399 14.773 -3.601 1.00 0.00 C ATOM 338 C GLN A 21 4.166 15.566 -3.161 1.00 0.00 C ATOM 339 O GLN A 21 4.268 16.554 -2.463 1.00 0.00 O ATOM 340 CB GLN A 21 5.598 14.939 -5.109 1.00 0.00 C ATOM 341 CG GLN A 21 6.787 15.866 -5.368 1.00 0.00 C ATOM 342 CD GLN A 21 8.087 15.065 -5.285 1.00 0.00 C ATOM 343 OE1 GLN A 21 8.804 15.150 -4.308 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.423 14.284 -6.275 1.00 0.00 N ATOM 0 H GLN A 21 4.751 12.782 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 21 6.278 15.144 -3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.773 13.968 -5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.696 15.351 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.694 16.328 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.798 16.674 -4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.821 14.213 -7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.288 13.745 -6.228 1.00 0.00 H new ATOM 353 N HIS A 22 3.002 15.142 -3.568 1.00 0.00 N ATOM 354 CA HIS A 22 1.763 15.870 -3.177 1.00 0.00 C ATOM 355 C HIS A 22 1.382 15.509 -1.740 1.00 0.00 C ATOM 356 O HIS A 22 0.220 15.373 -1.412 1.00 0.00 O ATOM 357 CB HIS A 22 0.624 15.479 -4.119 1.00 0.00 C ATOM 358 CG HIS A 22 0.679 16.335 -5.354 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.089 17.590 -5.411 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.253 16.134 -6.584 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.320 18.090 -6.639 1.00 0.00 C ATOM 362 NE2 HIS A 22 1.025 17.243 -7.389 1.00 0.00 N ATOM 0 H HIS A 22 2.855 14.321 -4.156 1.00 0.00 H new ATOM 0 HA HIS A 22 1.940 16.943 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.706 14.426 -4.389 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.336 15.605 -3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.798 15.250 -6.881 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.023 19.057 -6.975 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.332 17.380 -8.352 1.00 0.00 H new ATOM 371 N TRP A 23 2.349 15.357 -0.877 1.00 0.00 N ATOM 372 CA TRP A 23 2.036 15.010 0.537 1.00 0.00 C ATOM 373 C TRP A 23 1.712 16.283 1.314 1.00 0.00 C ATOM 374 O TRP A 23 2.381 17.289 1.186 1.00 0.00 O ATOM 375 CB TRP A 23 3.239 14.325 1.178 1.00 0.00 C ATOM 376 CG TRP A 23 2.795 13.621 2.415 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.639 14.201 3.625 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.445 12.221 2.584 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.215 13.242 4.527 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.084 12.005 3.933 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.410 11.131 1.704 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.700 10.746 4.394 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.023 9.860 2.161 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.671 9.669 3.505 1.00 0.00 C ATOM 0 H TRP A 23 3.341 15.458 -1.090 1.00 0.00 H new ATOM 0 HA TRP A 23 1.179 14.337 0.559 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.684 13.616 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.007 15.060 1.418 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.816 15.242 3.851 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.023 13.427 5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.682 11.269 0.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.427 10.605 5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.996 9.027 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.378 8.689 3.853 1.00 0.00 H new ATOM 395 N GLN A 24 0.690 16.247 2.119 1.00 0.00 N ATOM 396 CA GLN A 24 0.325 17.458 2.906 1.00 0.00 C ATOM 397 C GLN A 24 -0.252 17.035 4.258 1.00 0.00 C ATOM 398 O GLN A 24 -1.163 16.235 4.333 1.00 0.00 O ATOM 399 CB GLN A 24 -0.717 18.272 2.136 1.00 0.00 C ATOM 400 CG GLN A 24 -0.037 19.004 0.976 1.00 0.00 C ATOM 401 CD GLN A 24 0.875 20.102 1.525 1.00 0.00 C ATOM 402 OE1 GLN A 24 0.558 20.699 2.641 1.00 0.00 O flip ATOM 403 NE2 GLN A 24 1.885 20.423 0.930 1.00 0.00 N flip ATOM 0 H GLN A 24 0.092 15.434 2.267 1.00 0.00 H new ATOM 0 HA GLN A 24 1.214 18.068 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.500 17.615 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.198 18.989 2.801 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.543 18.300 0.379 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.788 19.438 0.316 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.133 19.956 0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.485 21.159 1.303 1.00 0.00 H new ATOM 412 N GLY A 25 0.273 17.566 5.330 1.00 0.00 N ATOM 413 CA GLY A 25 -0.246 17.194 6.676 1.00 0.00 C ATOM 414 C GLY A 25 0.908 16.704 7.554 1.00 0.00 C ATOM 415 O GLY A 25 0.721 16.348 8.700 1.00 0.00 O ATOM 0 H GLY A 25 1.038 18.241 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.730 18.053 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.002 16.414 6.583 1.00 0.00 H new ATOM 419 N GLY A 26 2.102 16.684 7.026 1.00 0.00 N ATOM 420 CA GLY A 26 3.265 16.217 7.831 1.00 0.00 C ATOM 421 C GLY A 26 4.350 15.678 6.898 1.00 0.00 C ATOM 422 O GLY A 26 4.487 14.485 6.714 1.00 0.00 O ATOM 0 H GLY A 26 2.321 16.971 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.660 17.038 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.950 15.439 8.527 1.00 0.00 H new ATOM 426 N GLN A 27 5.122 16.547 6.306 1.00 0.00 N ATOM 427 CA GLN A 27 6.198 16.083 5.386 1.00 0.00 C ATOM 428 C GLN A 27 7.044 15.018 6.086 1.00 0.00 C ATOM 429 O GLN A 27 7.869 14.366 5.476 1.00 0.00 O ATOM 430 CB GLN A 27 7.086 17.268 5.001 1.00 0.00 C ATOM 431 CG GLN A 27 8.407 16.753 4.426 1.00 0.00 C ATOM 432 CD GLN A 27 9.016 17.818 3.511 1.00 0.00 C ATOM 433 OE1 GLN A 27 9.905 18.542 3.910 1.00 0.00 O ATOM 434 NE2 GLN A 27 8.569 17.945 2.291 1.00 0.00 N ATOM 0 H GLN A 27 5.054 17.558 6.420 1.00 0.00 H new ATOM 0 HA GLN A 27 5.750 15.658 4.488 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.577 17.893 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.276 17.892 5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.099 16.514 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.238 15.832 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.822 17.337 1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.967 18.652 1.673 1.00 0.00 H new ATOM 443 N LYS A 28 6.846 14.833 7.363 1.00 0.00 N ATOM 444 CA LYS A 28 7.638 13.809 8.098 1.00 0.00 C ATOM 445 C LYS A 28 7.001 12.434 7.890 1.00 0.00 C ATOM 446 O LYS A 28 7.592 11.413 8.181 1.00 0.00 O ATOM 447 CB LYS A 28 7.651 14.146 9.590 1.00 0.00 C ATOM 448 CG LYS A 28 6.234 14.025 10.153 1.00 0.00 C ATOM 449 CD LYS A 28 6.191 14.617 11.563 1.00 0.00 C ATOM 450 CE LYS A 28 6.299 16.140 11.480 1.00 0.00 C ATOM 451 NZ LYS A 28 7.657 16.565 11.925 1.00 0.00 N ATOM 0 H LYS A 28 6.170 15.347 7.928 1.00 0.00 H new ATOM 0 HA LYS A 28 8.661 13.799 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.323 13.471 10.120 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.029 15.157 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.529 14.547 9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.929 12.979 10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.263 14.334 12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.008 14.216 12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.118 16.473 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.537 16.604 12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.962 17.389 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.628 16.819 12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.329 15.784 11.783 1.00 0.00 H new ATOM 465 N ASN A 29 5.798 12.399 7.383 1.00 0.00 N ATOM 466 CA ASN A 29 5.126 11.092 7.152 1.00 0.00 C ATOM 467 C ASN A 29 5.657 10.477 5.856 1.00 0.00 C ATOM 468 O ASN A 29 5.944 9.298 5.791 1.00 0.00 O ATOM 469 CB ASN A 29 3.616 11.305 7.036 1.00 0.00 C ATOM 470 CG ASN A 29 3.126 12.151 8.211 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.903 12.830 8.851 1.00 0.00 O ATOM 472 ND2 ASN A 29 1.859 12.140 8.524 1.00 0.00 N ATOM 0 H ASN A 29 5.253 13.220 7.119 1.00 0.00 H new ATOM 0 HA ASN A 29 5.331 10.422 7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.380 11.801 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.102 10.344 7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.522 12.702 9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.206 11.570 7.987 1.00 0.00 H new ATOM 479 N MET A 30 5.793 11.265 4.825 1.00 0.00 N ATOM 480 CA MET A 30 6.309 10.718 3.541 1.00 0.00 C ATOM 481 C MET A 30 7.480 9.781 3.835 1.00 0.00 C ATOM 482 O MET A 30 7.730 8.836 3.114 1.00 0.00 O ATOM 483 CB MET A 30 6.780 11.866 2.647 1.00 0.00 C ATOM 484 CG MET A 30 7.736 11.322 1.584 1.00 0.00 C ATOM 485 SD MET A 30 8.070 12.611 0.359 1.00 0.00 S ATOM 486 CE MET A 30 9.508 13.340 1.181 1.00 0.00 C ATOM 0 H MET A 30 5.570 12.260 4.817 1.00 0.00 H new ATOM 0 HA MET A 30 5.518 10.169 3.029 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.925 12.346 2.171 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.280 12.627 3.246 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.667 10.997 2.049 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.299 10.449 1.099 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.884 14.172 0.586 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.219 13.702 2.168 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.288 12.586 1.285 1.00 0.00 H new ATOM 496 N ASN A 31 8.197 10.036 4.895 1.00 0.00 N ATOM 497 CA ASN A 31 9.349 9.160 5.246 1.00 0.00 C ATOM 498 C ASN A 31 8.850 7.998 6.105 1.00 0.00 C ATOM 499 O ASN A 31 9.255 6.866 5.930 1.00 0.00 O ATOM 500 CB ASN A 31 10.384 9.970 6.026 1.00 0.00 C ATOM 501 CG ASN A 31 10.950 11.066 5.123 1.00 0.00 C ATOM 502 OD1 ASN A 31 10.285 11.418 4.056 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 12.004 11.607 5.389 1.00 0.00 N flip ATOM 0 H ASN A 31 8.034 10.814 5.534 1.00 0.00 H new ATOM 0 HA ASN A 31 9.808 8.771 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.926 10.412 6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.186 9.319 6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.523 11.331 6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.371 12.337 4.779 1.00 0.00 H new ATOM 510 N LYS A 32 7.967 8.266 7.029 1.00 0.00 N ATOM 511 CA LYS A 32 7.439 7.173 7.891 1.00 0.00 C ATOM 512 C LYS A 32 6.503 6.291 7.063 1.00 0.00 C ATOM 513 O LYS A 32 6.584 5.080 7.098 1.00 0.00 O ATOM 514 CB LYS A 32 6.668 7.773 9.069 1.00 0.00 C ATOM 515 CG LYS A 32 7.585 8.713 9.855 1.00 0.00 C ATOM 516 CD LYS A 32 8.647 7.891 10.590 1.00 0.00 C ATOM 517 CE LYS A 32 9.271 8.736 11.703 1.00 0.00 C ATOM 518 NZ LYS A 32 8.488 8.561 12.958 1.00 0.00 N ATOM 0 H LYS A 32 7.590 9.194 7.223 1.00 0.00 H new ATOM 0 HA LYS A 32 8.267 6.575 8.272 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.796 8.318 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.301 6.979 9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.062 9.423 9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.002 9.295 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.198 6.991 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.418 7.566 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.307 8.437 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.283 9.787 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.912 9.135 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.506 8.866 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.498 7.559 13.237 1.00 0.00 H new ATOM 532 N VAL A 33 5.615 6.890 6.315 1.00 0.00 N ATOM 533 CA VAL A 33 4.680 6.085 5.482 1.00 0.00 C ATOM 534 C VAL A 33 5.491 5.265 4.474 1.00 0.00 C ATOM 535 O VAL A 33 5.314 4.070 4.349 1.00 0.00 O ATOM 536 CB VAL A 33 3.716 7.015 4.740 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.222 8.112 5.687 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.436 7.654 3.551 1.00 0.00 C ATOM 0 H VAL A 33 5.498 7.901 6.246 1.00 0.00 H new ATOM 0 HA VAL A 33 4.103 5.415 6.119 1.00 0.00 H new ATOM 0 HB VAL A 33 2.863 6.437 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.536 8.771 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.705 7.657 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.072 8.690 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.750 8.316 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.291 8.228 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.781 6.874 2.873 1.00 0.00 H new ATOM 548 N ASP A 34 6.391 5.894 3.765 1.00 0.00 N ATOM 549 CA ASP A 34 7.220 5.141 2.784 1.00 0.00 C ATOM 550 C ASP A 34 7.830 3.932 3.493 1.00 0.00 C ATOM 551 O ASP A 34 8.265 2.983 2.873 1.00 0.00 O ATOM 552 CB ASP A 34 8.339 6.044 2.258 1.00 0.00 C ATOM 553 CG ASP A 34 9.335 5.208 1.453 1.00 0.00 C ATOM 554 OD1 ASP A 34 8.897 4.301 0.763 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.519 5.488 1.539 1.00 0.00 O ATOM 0 H ASP A 34 6.586 6.893 3.824 1.00 0.00 H new ATOM 0 HA ASP A 34 6.604 4.814 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.920 6.832 1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.847 6.533 3.089 1.00 0.00 H new ATOM 560 N HIS A 35 7.857 3.967 4.798 1.00 0.00 N ATOM 561 CA HIS A 35 8.429 2.832 5.573 1.00 0.00 C ATOM 562 C HIS A 35 7.337 1.786 5.815 1.00 0.00 C ATOM 563 O HIS A 35 7.598 0.600 5.859 1.00 0.00 O ATOM 564 CB HIS A 35 8.947 3.352 6.919 1.00 0.00 C ATOM 565 CG HIS A 35 10.393 2.974 7.090 1.00 0.00 C ATOM 566 ND1 HIS A 35 10.874 1.715 6.762 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.474 3.677 7.565 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.192 1.699 7.039 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.603 2.869 7.530 1.00 0.00 N ATOM 0 H HIS A 35 7.504 4.739 5.363 1.00 0.00 H new ATOM 0 HA HIS A 35 9.250 2.380 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.837 4.435 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.354 2.935 7.733 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.449 4.700 7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.835 0.846 6.883 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.549 3.118 7.819 1.00 0.00 H new ATOM 578 N HIS A 36 6.113 2.218 5.970 1.00 0.00 N ATOM 579 CA HIS A 36 5.005 1.251 6.206 1.00 0.00 C ATOM 580 C HIS A 36 4.805 0.399 4.953 1.00 0.00 C ATOM 581 O HIS A 36 4.693 -0.809 5.023 1.00 0.00 O ATOM 582 CB HIS A 36 3.718 2.020 6.516 1.00 0.00 C ATOM 583 CG HIS A 36 3.540 2.126 8.007 1.00 0.00 C ATOM 584 ND1 HIS A 36 4.470 1.618 8.903 1.00 0.00 N ATOM 585 CD2 HIS A 36 2.546 2.683 8.774 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.022 1.879 10.146 1.00 0.00 C ATOM 587 NE2 HIS A 36 2.855 2.524 10.120 1.00 0.00 N ATOM 0 H HIS A 36 5.834 3.199 5.943 1.00 0.00 H new ATOM 0 HA HIS A 36 5.252 0.606 7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.761 3.015 6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.862 1.511 6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.661 3.169 8.391 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.543 1.601 11.050 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.304 2.835 10.920 1.00 0.00 H new ATOM 596 N LEU A 37 4.766 1.017 3.804 1.00 0.00 N ATOM 597 CA LEU A 37 4.582 0.239 2.548 1.00 0.00 C ATOM 598 C LEU A 37 5.845 -0.579 2.279 1.00 0.00 C ATOM 599 O LEU A 37 5.785 -1.754 1.975 1.00 0.00 O ATOM 600 CB LEU A 37 4.338 1.196 1.380 1.00 0.00 C ATOM 601 CG LEU A 37 3.016 1.937 1.588 1.00 0.00 C ATOM 602 CD1 LEU A 37 3.215 3.105 2.556 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.523 2.470 0.242 1.00 0.00 C ATOM 0 H LEU A 37 4.854 2.026 3.682 1.00 0.00 H new ATOM 0 HA LEU A 37 3.725 -0.426 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.158 1.910 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.311 0.641 0.442 1.00 0.00 H new ATOM 0 HG LEU A 37 2.281 1.250 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.268 3.626 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.568 2.726 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.952 3.796 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.581 2.999 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.264 3.153 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.372 1.638 -0.446 1.00 0.00 H new ATOM 615 N GLN A 38 6.993 0.033 2.395 1.00 0.00 N ATOM 616 CA GLN A 38 8.258 -0.711 2.152 1.00 0.00 C ATOM 617 C GLN A 38 8.159 -2.086 2.810 1.00 0.00 C ATOM 618 O GLN A 38 8.480 -3.096 2.215 1.00 0.00 O ATOM 619 CB GLN A 38 9.429 0.064 2.761 1.00 0.00 C ATOM 620 CG GLN A 38 10.181 0.813 1.659 1.00 0.00 C ATOM 621 CD GLN A 38 11.520 1.312 2.205 1.00 0.00 C ATOM 622 OE1 GLN A 38 12.546 0.702 1.981 1.00 0.00 O ATOM 623 NE2 GLN A 38 11.552 2.402 2.921 1.00 0.00 N ATOM 0 H GLN A 38 7.107 1.015 2.647 1.00 0.00 H new ATOM 0 HA GLN A 38 8.420 -0.826 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.062 0.768 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.104 -0.621 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.346 0.156 0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.585 1.654 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.690 2.914 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.439 2.742 3.293 1.00 0.00 H new ATOM 632 N ASN A 39 7.709 -2.135 4.034 1.00 0.00 N ATOM 633 CA ASN A 39 7.579 -3.446 4.726 1.00 0.00 C ATOM 634 C ASN A 39 6.475 -4.259 4.051 1.00 0.00 C ATOM 635 O ASN A 39 6.628 -5.437 3.792 1.00 0.00 O ATOM 636 CB ASN A 39 7.217 -3.219 6.193 1.00 0.00 C ATOM 637 CG ASN A 39 6.686 -4.521 6.792 1.00 0.00 C ATOM 638 OD1 ASN A 39 5.520 -4.835 6.658 1.00 0.00 O ATOM 639 ND2 ASN A 39 7.500 -5.300 7.450 1.00 0.00 N ATOM 0 H ASN A 39 7.426 -1.324 4.584 1.00 0.00 H new ATOM 0 HA ASN A 39 8.524 -3.985 4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.093 -2.881 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.465 -2.434 6.276 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.157 -6.173 7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.479 -5.036 7.562 1.00 0.00 H new ATOM 646 N VAL A 40 5.363 -3.639 3.761 1.00 0.00 N ATOM 647 CA VAL A 40 4.253 -4.378 3.098 1.00 0.00 C ATOM 648 C VAL A 40 4.665 -4.724 1.668 1.00 0.00 C ATOM 649 O VAL A 40 4.796 -5.879 1.316 1.00 0.00 O ATOM 650 CB VAL A 40 2.997 -3.507 3.070 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.817 -4.333 2.550 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.687 -3.012 4.485 1.00 0.00 C ATOM 0 H VAL A 40 5.176 -2.655 3.954 1.00 0.00 H new ATOM 0 HA VAL A 40 4.042 -5.292 3.653 1.00 0.00 H new ATOM 0 HB VAL A 40 3.162 -2.652 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.920 -3.714 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.037 -4.687 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.653 -5.187 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.791 -2.391 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.522 -3.866 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.527 -2.426 4.858 1.00 0.00 H new ATOM 662 N ILE A 41 4.877 -3.738 0.838 1.00 0.00 N ATOM 663 CA ILE A 41 5.286 -4.032 -0.562 1.00 0.00 C ATOM 664 C ILE A 41 6.244 -5.223 -0.556 1.00 0.00 C ATOM 665 O ILE A 41 6.263 -6.023 -1.469 1.00 0.00 O ATOM 666 CB ILE A 41 5.984 -2.816 -1.170 1.00 0.00 C ATOM 667 CG1 ILE A 41 4.990 -1.656 -1.267 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.485 -3.178 -2.569 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.678 -0.436 -1.879 1.00 0.00 C ATOM 0 H ILE A 41 4.785 -2.749 1.068 1.00 0.00 H new ATOM 0 HA ILE A 41 4.404 -4.265 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 41 6.825 -2.519 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.135 -1.947 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.606 -1.410 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.985 -2.316 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.187 -4.009 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.640 -3.468 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.967 0.387 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.518 -0.139 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.040 -0.685 -2.876 1.00 0.00 H new ATOM 681 N GLU A 42 7.034 -5.351 0.478 1.00 0.00 N ATOM 682 CA GLU A 42 7.981 -6.497 0.550 1.00 0.00 C ATOM 683 C GLU A 42 7.178 -7.793 0.630 1.00 0.00 C ATOM 684 O GLU A 42 7.536 -8.794 0.042 1.00 0.00 O ATOM 685 CB GLU A 42 8.862 -6.364 1.794 1.00 0.00 C ATOM 686 CG GLU A 42 10.167 -7.130 1.578 1.00 0.00 C ATOM 687 CD GLU A 42 11.134 -6.270 0.762 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.670 -5.568 -0.121 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.321 -6.328 1.035 1.00 0.00 O ATOM 0 H GLU A 42 7.063 -4.712 1.273 1.00 0.00 H new ATOM 0 HA GLU A 42 8.617 -6.506 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.073 -5.313 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.339 -6.754 2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.614 -7.387 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.969 -8.067 1.058 1.00 0.00 H new ATOM 696 N ASP A 43 6.085 -7.780 1.344 1.00 0.00 N ATOM 697 CA ASP A 43 5.256 -9.012 1.446 1.00 0.00 C ATOM 698 C ASP A 43 4.786 -9.399 0.044 1.00 0.00 C ATOM 699 O ASP A 43 4.995 -10.506 -0.412 1.00 0.00 O ATOM 700 CB ASP A 43 4.040 -8.745 2.334 1.00 0.00 C ATOM 701 CG ASP A 43 3.245 -10.038 2.510 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.786 -10.970 3.080 1.00 0.00 O ATOM 703 OD2 ASP A 43 2.108 -10.076 2.068 1.00 0.00 O ATOM 0 H ASP A 43 5.733 -6.973 1.858 1.00 0.00 H new ATOM 0 HA ASP A 43 5.844 -9.819 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.361 -8.368 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.410 -7.976 1.886 1.00 0.00 H new ATOM 708 N ILE A 44 4.161 -8.486 -0.645 1.00 0.00 N ATOM 709 CA ILE A 44 3.683 -8.784 -2.023 1.00 0.00 C ATOM 710 C ILE A 44 4.819 -9.420 -2.821 1.00 0.00 C ATOM 711 O ILE A 44 4.669 -10.477 -3.401 1.00 0.00 O ATOM 712 CB ILE A 44 3.262 -7.483 -2.700 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.998 -6.944 -2.026 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.977 -7.745 -4.179 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.117 -5.431 -1.823 1.00 0.00 C ATOM 0 H ILE A 44 3.960 -7.543 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 44 2.835 -9.468 -1.979 1.00 0.00 H new ATOM 0 HB ILE A 44 4.064 -6.751 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.125 -7.169 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.849 -7.437 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.676 -6.815 -4.662 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.876 -8.130 -4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.175 -8.477 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.213 -5.056 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.979 -5.215 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.243 -4.943 -2.789 1.00 0.00 H new ATOM 727 N HIS A 45 5.958 -8.786 -2.853 1.00 0.00 N ATOM 728 CA HIS A 45 7.105 -9.359 -3.606 1.00 0.00 C ATOM 729 C HIS A 45 7.309 -10.803 -3.151 1.00 0.00 C ATOM 730 O HIS A 45 7.736 -11.653 -3.908 1.00 0.00 O ATOM 731 CB HIS A 45 8.366 -8.542 -3.311 1.00 0.00 C ATOM 732 CG HIS A 45 9.409 -8.824 -4.358 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.917 -10.098 -4.574 1.00 0.00 N ATOM 734 CD2 HIS A 45 10.054 -8.006 -5.253 1.00 0.00 C ATOM 735 CE1 HIS A 45 10.826 -10.010 -5.563 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.945 -8.758 -6.009 1.00 0.00 N ATOM 0 H HIS A 45 6.143 -7.896 -2.390 1.00 0.00 H new ATOM 0 HA HIS A 45 6.905 -9.331 -4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.127 -7.479 -3.299 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.751 -8.794 -2.323 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.894 -6.943 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 45 11.389 -10.848 -5.947 1.00 0.00 H new ATOM 0 HE2 HIS A 45 11.561 -8.423 -6.750 1.00 0.00 H new ATOM 745 N ASP A 46 7.001 -11.084 -1.915 1.00 0.00 N ATOM 746 CA ASP A 46 7.167 -12.472 -1.399 1.00 0.00 C ATOM 747 C ASP A 46 5.916 -13.293 -1.719 1.00 0.00 C ATOM 748 O ASP A 46 5.832 -14.460 -1.392 1.00 0.00 O ATOM 749 CB ASP A 46 7.374 -12.433 0.115 1.00 0.00 C ATOM 750 CG ASP A 46 8.039 -13.733 0.571 1.00 0.00 C ATOM 751 OD1 ASP A 46 8.212 -14.610 -0.260 1.00 0.00 O ATOM 752 OD2 ASP A 46 8.364 -13.831 1.743 1.00 0.00 O ATOM 0 H ASP A 46 6.641 -10.411 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 46 8.034 -12.931 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.995 -11.579 0.386 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.417 -12.304 0.621 1.00 0.00 H new ATOM 757 N PHE A 47 4.937 -12.698 -2.348 1.00 0.00 N ATOM 758 CA PHE A 47 3.698 -13.458 -2.674 1.00 0.00 C ATOM 759 C PHE A 47 3.863 -14.148 -4.030 1.00 0.00 C ATOM 760 O PHE A 47 3.192 -15.116 -4.329 1.00 0.00 O ATOM 761 CB PHE A 47 2.508 -12.496 -2.716 1.00 0.00 C ATOM 762 CG PHE A 47 1.241 -13.261 -3.030 1.00 0.00 C ATOM 763 CD1 PHE A 47 1.015 -13.756 -4.321 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.289 -13.472 -2.025 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.160 -14.462 -4.604 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.885 -14.179 -2.310 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.109 -14.674 -3.599 1.00 0.00 C ATOM 0 H PHE A 47 4.943 -11.723 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 47 3.520 -14.215 -1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.407 -11.985 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.676 -11.728 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.747 -13.593 -5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.461 -13.089 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.334 -14.843 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.618 -14.342 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.015 -15.220 -3.818 1.00 0.00 H new ATOM 777 N MET A 48 4.756 -13.666 -4.851 1.00 0.00 N ATOM 778 CA MET A 48 4.963 -14.307 -6.180 1.00 0.00 C ATOM 779 C MET A 48 5.915 -15.494 -6.018 1.00 0.00 C ATOM 780 O MET A 48 5.940 -16.401 -6.825 1.00 0.00 O ATOM 781 CB MET A 48 5.568 -13.292 -7.155 1.00 0.00 C ATOM 782 CG MET A 48 5.740 -11.945 -6.452 1.00 0.00 C ATOM 783 SD MET A 48 6.151 -10.676 -7.675 1.00 0.00 S ATOM 784 CE MET A 48 7.735 -11.372 -8.203 1.00 0.00 C ATOM 0 H MET A 48 5.349 -12.859 -4.660 1.00 0.00 H new ATOM 0 HA MET A 48 4.007 -14.652 -6.573 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.532 -13.650 -7.517 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.922 -13.179 -8.026 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.823 -11.677 -5.927 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.528 -12.012 -5.702 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.353 -10.584 -8.634 1.00 0.00 H new ATOM 0 HE2 MET A 48 8.247 -11.805 -7.343 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.561 -12.147 -8.950 1.00 0.00 H new ATOM 794 N GLN A 49 6.695 -15.494 -4.971 1.00 0.00 N ATOM 795 CA GLN A 49 7.643 -16.619 -4.744 1.00 0.00 C ATOM 796 C GLN A 49 7.256 -17.347 -3.457 1.00 0.00 C ATOM 797 O GLN A 49 7.537 -18.516 -3.283 1.00 0.00 O ATOM 798 CB GLN A 49 9.064 -16.070 -4.612 1.00 0.00 C ATOM 799 CG GLN A 49 9.104 -15.017 -3.503 1.00 0.00 C ATOM 800 CD GLN A 49 9.239 -13.625 -4.123 1.00 0.00 C ATOM 801 OE1 GLN A 49 8.568 -13.339 -5.206 1.00 0.00 O flip ATOM 802 NE2 GLN A 49 9.961 -12.790 -3.618 1.00 0.00 N flip ATOM 0 H GLN A 49 6.716 -14.761 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 49 7.600 -17.311 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.758 -16.879 -4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.385 -15.631 -5.557 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.196 -15.072 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.942 -15.211 -2.833 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.485 -13.013 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.044 -11.865 -4.040 1.00 0.00 H new ATOM 811 N GLY A 50 6.606 -16.664 -2.554 1.00 0.00 N ATOM 812 CA GLY A 50 6.196 -17.315 -1.280 1.00 0.00 C ATOM 813 C GLY A 50 5.381 -18.572 -1.595 1.00 0.00 C ATOM 814 O GLY A 50 4.912 -19.257 -0.707 1.00 0.00 O ATOM 0 H GLY A 50 6.342 -15.683 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.076 -17.576 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.604 -16.625 -0.679 1.00 0.00 H new ATOM 818 N GLY A 51 5.209 -18.878 -2.852 1.00 0.00 N ATOM 819 CA GLY A 51 4.425 -20.090 -3.223 1.00 0.00 C ATOM 820 C GLY A 51 2.930 -19.791 -3.088 1.00 0.00 C ATOM 821 O GLY A 51 2.160 -20.006 -4.003 1.00 0.00 O ATOM 0 H GLY A 51 5.577 -18.342 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.657 -20.387 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.699 -20.925 -2.579 1.00 0.00 H new ATOM 825 N GLY A 52 2.515 -19.302 -1.953 1.00 0.00 N ATOM 826 CA GLY A 52 1.071 -18.993 -1.757 1.00 0.00 C ATOM 827 C GLY A 52 0.774 -18.972 -0.261 1.00 0.00 C ATOM 828 O GLY A 52 -0.214 -19.511 0.198 1.00 0.00 O ATOM 0 H GLY A 52 3.114 -19.103 -1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.827 -18.029 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.454 -19.741 -2.254 1.00 0.00 H new ATOM 832 N SER A 53 1.632 -18.361 0.506 1.00 0.00 N ATOM 833 CA SER A 53 1.418 -18.311 1.976 1.00 0.00 C ATOM 834 C SER A 53 0.422 -17.203 2.319 1.00 0.00 C ATOM 835 O SER A 53 0.786 -16.169 2.843 1.00 0.00 O ATOM 836 CB SER A 53 2.752 -18.032 2.666 1.00 0.00 C ATOM 837 OG SER A 53 3.756 -18.861 2.096 1.00 0.00 O ATOM 0 H SER A 53 2.476 -17.892 0.175 1.00 0.00 H new ATOM 0 HA SER A 53 1.018 -19.266 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.022 -16.982 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.669 -18.224 3.736 1.00 0.00 H new ATOM 0 HG SER A 53 4.614 -18.684 2.535 1.00 0.00 H new ATOM 843 N GLY A 54 -0.836 -17.411 2.039 1.00 0.00 N ATOM 844 CA GLY A 54 -1.850 -16.370 2.365 1.00 0.00 C ATOM 845 C GLY A 54 -1.696 -15.969 3.831 1.00 0.00 C ATOM 846 O GLY A 54 -2.373 -15.087 4.320 1.00 0.00 O ATOM 0 H GLY A 54 -1.204 -18.255 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.718 -15.501 1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.854 -16.752 2.183 1.00 0.00 H new ATOM 850 N GLY A 55 -0.802 -16.610 4.536 1.00 0.00 N ATOM 851 CA GLY A 55 -0.593 -16.268 5.969 1.00 0.00 C ATOM 852 C GLY A 55 0.426 -15.135 6.064 1.00 0.00 C ATOM 853 O GLY A 55 0.309 -14.248 6.886 1.00 0.00 O ATOM 0 H GLY A 55 -0.207 -17.357 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.536 -15.966 6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.238 -17.141 6.517 1.00 0.00 H new ATOM 857 N LYS A 56 1.424 -15.154 5.223 1.00 0.00 N ATOM 858 CA LYS A 56 2.445 -14.074 5.262 1.00 0.00 C ATOM 859 C LYS A 56 1.795 -12.759 4.836 1.00 0.00 C ATOM 860 O LYS A 56 2.348 -11.693 5.019 1.00 0.00 O ATOM 861 CB LYS A 56 3.596 -14.416 4.314 1.00 0.00 C ATOM 862 CG LYS A 56 4.430 -15.552 4.914 1.00 0.00 C ATOM 863 CD LYS A 56 5.754 -15.674 4.155 1.00 0.00 C ATOM 864 CE LYS A 56 6.645 -16.707 4.847 1.00 0.00 C ATOM 865 NZ LYS A 56 6.002 -17.149 6.116 1.00 0.00 N ATOM 0 H LYS A 56 1.575 -15.870 4.513 1.00 0.00 H new ATOM 0 HA LYS A 56 2.839 -13.977 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.204 -14.713 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.221 -13.538 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.621 -15.358 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.879 -16.491 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.568 -15.972 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.257 -14.708 4.122 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.805 -17.563 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.625 -16.277 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.624 -17.826 6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.840 -16.324 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.092 -17.606 5.903 1.00 0.00 H new ATOM 879 N LEU A 57 0.618 -12.826 4.277 1.00 0.00 N ATOM 880 CA LEU A 57 -0.073 -11.580 3.852 1.00 0.00 C ATOM 881 C LEU A 57 -0.875 -11.036 5.030 1.00 0.00 C ATOM 882 O LEU A 57 -0.672 -9.925 5.474 1.00 0.00 O ATOM 883 CB LEU A 57 -1.024 -11.884 2.694 1.00 0.00 C ATOM 884 CG LEU A 57 -1.639 -10.578 2.186 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.384 -10.839 0.878 1.00 0.00 C ATOM 886 CD2 LEU A 57 -2.624 -10.031 3.224 1.00 0.00 C ATOM 0 H LEU A 57 0.107 -13.690 4.097 1.00 0.00 H new ATOM 0 HA LEU A 57 0.664 -10.846 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.486 -12.383 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.809 -12.565 3.023 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.845 -9.851 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.822 -9.908 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.688 -11.226 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.175 -11.570 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.059 -9.101 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.416 -10.760 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.098 -9.842 4.160 1.00 0.00 H new ATOM 898 N GLN A 58 -1.785 -11.813 5.543 1.00 0.00 N ATOM 899 CA GLN A 58 -2.593 -11.336 6.696 1.00 0.00 C ATOM 900 C GLN A 58 -1.653 -10.716 7.729 1.00 0.00 C ATOM 901 O GLN A 58 -2.080 -10.101 8.686 1.00 0.00 O ATOM 902 CB GLN A 58 -3.352 -12.512 7.312 1.00 0.00 C ATOM 903 CG GLN A 58 -4.650 -12.750 6.530 1.00 0.00 C ATOM 904 CD GLN A 58 -4.441 -12.386 5.055 1.00 0.00 C ATOM 905 OE1 GLN A 58 -5.076 -11.360 4.550 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -3.693 -13.040 4.357 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.004 -12.754 5.215 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.315 -10.590 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.733 -13.409 7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.578 -12.305 8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.952 -13.794 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.455 -12.149 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.198 -13.840 4.750 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.560 -12.789 3.377 1.00 0.00 H new ATOM 915 N GLU A 59 -0.370 -10.865 7.533 1.00 0.00 N ATOM 916 CA GLU A 59 0.603 -10.275 8.492 1.00 0.00 C ATOM 917 C GLU A 59 0.794 -8.795 8.155 1.00 0.00 C ATOM 918 O GLU A 59 0.612 -7.933 8.992 1.00 0.00 O ATOM 919 CB GLU A 59 1.944 -11.007 8.384 1.00 0.00 C ATOM 920 CG GLU A 59 2.834 -10.618 9.566 1.00 0.00 C ATOM 921 CD GLU A 59 3.735 -11.795 9.940 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.806 -11.902 9.366 1.00 0.00 O ATOM 923 OE2 GLU A 59 3.340 -12.570 10.797 1.00 0.00 O ATOM 0 H GLU A 59 0.044 -11.370 6.750 1.00 0.00 H new ATOM 0 HA GLU A 59 0.226 -10.376 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.782 -12.085 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.435 -10.751 7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.441 -9.751 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.218 -10.333 10.419 1.00 0.00 H new ATOM 930 N MET A 60 1.146 -8.489 6.934 1.00 0.00 N ATOM 931 CA MET A 60 1.326 -7.061 6.558 1.00 0.00 C ATOM 932 C MET A 60 -0.048 -6.393 6.522 1.00 0.00 C ATOM 933 O MET A 60 -0.165 -5.184 6.487 1.00 0.00 O ATOM 934 CB MET A 60 1.986 -6.964 5.178 1.00 0.00 C ATOM 935 CG MET A 60 1.123 -7.681 4.138 1.00 0.00 C ATOM 936 SD MET A 60 -0.360 -6.699 3.795 1.00 0.00 S ATOM 937 CE MET A 60 -0.373 -6.916 1.998 1.00 0.00 C ATOM 0 H MET A 60 1.315 -9.163 6.187 1.00 0.00 H new ATOM 0 HA MET A 60 1.966 -6.562 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.114 -5.918 4.899 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.980 -7.410 5.208 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.692 -7.831 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.841 -8.668 4.504 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.400 -7.040 1.654 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.066 -6.039 1.522 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.207 -7.800 1.734 1.00 0.00 H new ATOM 947 N MET A 61 -1.091 -7.179 6.543 1.00 0.00 N ATOM 948 CA MET A 61 -2.463 -6.602 6.524 1.00 0.00 C ATOM 949 C MET A 61 -2.584 -5.578 7.652 1.00 0.00 C ATOM 950 O MET A 61 -3.182 -4.532 7.495 1.00 0.00 O ATOM 951 CB MET A 61 -3.487 -7.726 6.723 1.00 0.00 C ATOM 952 CG MET A 61 -4.716 -7.189 7.458 1.00 0.00 C ATOM 953 SD MET A 61 -6.111 -8.314 7.204 1.00 0.00 S ATOM 954 CE MET A 61 -6.071 -9.096 8.835 1.00 0.00 C ATOM 0 H MET A 61 -1.050 -8.198 6.573 1.00 0.00 H new ATOM 0 HA MET A 61 -2.653 -6.113 5.568 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.781 -8.136 5.757 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.039 -8.540 7.293 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.503 -7.092 8.522 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.966 -6.194 7.091 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.864 -9.841 8.901 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.105 -9.580 8.983 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.219 -8.339 9.605 1.00 0.00 H new ATOM 964 N LYS A 62 -2.010 -5.867 8.788 1.00 0.00 N ATOM 965 CA LYS A 62 -2.080 -4.906 9.922 1.00 0.00 C ATOM 966 C LYS A 62 -1.245 -3.673 9.576 1.00 0.00 C ATOM 967 O LYS A 62 -1.601 -2.556 9.897 1.00 0.00 O ATOM 968 CB LYS A 62 -1.525 -5.566 11.187 1.00 0.00 C ATOM 969 CG LYS A 62 -0.005 -5.396 11.229 1.00 0.00 C ATOM 970 CD LYS A 62 0.585 -6.338 12.282 1.00 0.00 C ATOM 971 CE LYS A 62 1.961 -5.828 12.710 1.00 0.00 C ATOM 972 NZ LYS A 62 2.819 -6.981 13.101 1.00 0.00 N ATOM 0 H LYS A 62 -1.496 -6.727 8.979 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.115 -4.613 10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.976 -5.117 12.072 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.783 -6.625 11.200 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.423 -5.613 10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.250 -4.363 11.466 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.078 -6.396 13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.669 -7.346 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.426 -5.276 11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.860 -5.136 13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.755 -6.634 13.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.377 -7.490 13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.925 -7.625 12.291 1.00 0.00 H new ATOM 986 N GLU A 63 -0.138 -3.870 8.912 1.00 0.00 N ATOM 987 CA GLU A 63 0.722 -2.718 8.528 1.00 0.00 C ATOM 988 C GLU A 63 0.074 -1.983 7.355 1.00 0.00 C ATOM 989 O GLU A 63 0.155 -0.778 7.239 1.00 0.00 O ATOM 990 CB GLU A 63 2.099 -3.234 8.110 1.00 0.00 C ATOM 991 CG GLU A 63 3.145 -2.788 9.132 1.00 0.00 C ATOM 992 CD GLU A 63 3.523 -1.329 8.873 1.00 0.00 C ATOM 993 OE1 GLU A 63 2.624 -0.506 8.823 1.00 0.00 O ATOM 994 OE2 GLU A 63 4.703 -1.061 8.724 1.00 0.00 O ATOM 0 H GLU A 63 0.208 -4.784 8.619 1.00 0.00 H new ATOM 0 HA GLU A 63 0.831 -2.038 9.372 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.085 -4.322 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.356 -2.854 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.752 -2.899 10.142 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.029 -3.421 9.063 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.571 -2.708 6.483 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.231 -2.060 5.317 1.00 0.00 C ATOM 1003 C PHE A 64 -2.338 -1.130 5.822 1.00 0.00 C ATOM 1004 O PHE A 64 -2.472 -0.005 5.384 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.849 -3.137 4.418 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.715 -2.735 2.967 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.766 -1.383 2.601 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.537 -3.717 1.984 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.637 -1.016 1.258 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -1.410 -3.348 0.639 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.460 -1.998 0.277 1.00 0.00 C ATOM 0 H PHE A 64 -0.669 -3.722 6.529 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.496 -1.489 4.750 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.353 -4.093 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.900 -3.275 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.905 -0.624 3.357 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.498 -4.759 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.674 0.026 0.978 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.273 -4.106 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.362 -1.713 -0.760 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.134 -1.600 6.744 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.238 -0.759 7.284 1.00 0.00 C ATOM 1023 C GLN A 65 -3.663 0.414 8.080 1.00 0.00 C ATOM 1024 O GLN A 65 -4.387 1.282 8.528 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.117 -1.610 8.203 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.109 -0.706 8.937 1.00 0.00 C ATOM 1027 CD GLN A 65 -5.513 -0.274 10.278 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -4.244 -0.476 10.511 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -6.209 0.255 11.123 1.00 0.00 N flip ATOM 0 H GLN A 65 -3.066 -2.534 7.147 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.831 -0.372 6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.653 -2.359 7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.498 -2.148 8.921 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.337 0.170 8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.048 -1.235 9.098 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.200 0.413 10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.802 0.541 12.013 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.373 0.454 8.262 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.770 1.580 9.030 1.00 0.00 C ATOM 1040 C GLN A 66 -1.489 2.744 8.079 1.00 0.00 C ATOM 1041 O GLN A 66 -1.399 3.885 8.489 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.463 1.125 9.681 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.772 0.190 10.850 1.00 0.00 C ATOM 1044 CD GLN A 66 -0.533 0.925 12.172 1.00 0.00 C ATOM 1045 OE1 GLN A 66 0.458 1.769 12.265 1.00 0.00 O flip ATOM 1046 NE2 GLN A 66 -1.254 0.728 13.129 1.00 0.00 N flip ATOM 0 H GLN A 66 -1.712 -0.241 7.914 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.463 1.899 9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.161 0.614 8.948 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.100 1.989 10.032 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.806 -0.150 10.793 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.141 -0.697 10.796 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.029 0.068 13.057 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.085 1.222 14.005 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.355 2.465 6.812 1.00 0.00 N ATOM 1056 CA VAL A 67 -1.086 3.556 5.836 1.00 0.00 C ATOM 1057 C VAL A 67 -2.369 4.347 5.608 1.00 0.00 C ATOM 1058 O VAL A 67 -2.402 5.552 5.757 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.630 2.954 4.509 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.312 3.925 3.797 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.104 1.646 4.775 1.00 0.00 C ATOM 0 H VAL A 67 -1.420 1.529 6.411 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.307 4.211 6.227 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.500 2.768 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.635 3.491 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.209 4.864 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.183 4.114 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.431 1.213 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.972 1.838 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.565 0.950 5.280 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.426 3.677 5.245 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.701 4.397 5.007 1.00 0.00 C ATOM 1073 C LEU A 68 -4.943 5.378 6.151 1.00 0.00 C ATOM 1074 O LEU A 68 -5.068 6.570 5.952 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.859 3.398 4.955 1.00 0.00 C ATOM 1076 CG LEU A 68 -5.671 2.450 3.774 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -5.178 1.097 4.286 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -7.011 2.266 3.057 1.00 0.00 C ATOM 0 H LEU A 68 -3.460 2.667 5.104 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.641 4.933 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.904 2.831 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.806 3.929 4.859 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.940 2.866 3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.043 0.417 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.228 1.228 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.912 0.680 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.882 1.589 2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.740 1.846 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.367 3.231 2.697 1.00 0.00 H new ATOM 1090 N ASP A 69 -5.012 4.876 7.353 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.250 5.762 8.523 1.00 0.00 C ATOM 1092 C ASP A 69 -4.151 6.826 8.596 1.00 0.00 C ATOM 1093 O ASP A 69 -4.318 7.862 9.211 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.252 4.913 9.800 1.00 0.00 C ATOM 1095 CG ASP A 69 -3.857 4.914 10.432 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -3.543 5.868 11.125 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -3.129 3.960 10.214 1.00 0.00 O ATOM 0 H ASP A 69 -4.913 3.885 7.574 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.213 6.262 8.420 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.981 5.308 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.554 3.892 9.567 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.029 6.584 7.973 1.00 0.00 N ATOM 1103 CA GLU A 70 -1.927 7.588 8.010 1.00 0.00 C ATOM 1104 C GLU A 70 -2.181 8.666 6.958 1.00 0.00 C ATOM 1105 O GLU A 70 -2.167 9.846 7.251 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.592 6.895 7.719 1.00 0.00 C ATOM 1107 CG GLU A 70 0.395 7.188 8.850 1.00 0.00 C ATOM 1108 CD GLU A 70 1.684 6.398 8.621 1.00 0.00 C ATOM 1109 OE1 GLU A 70 1.708 5.594 7.705 1.00 0.00 O ATOM 1110 OE2 GLU A 70 2.626 6.611 9.368 1.00 0.00 O ATOM 0 H GLU A 70 -2.828 5.737 7.441 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.890 8.047 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.742 5.820 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.188 7.246 6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.612 8.255 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.045 6.917 9.810 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.415 8.279 5.735 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.669 9.296 4.679 1.00 0.00 C ATOM 1119 C ILE A 71 -4.058 9.902 4.887 1.00 0.00 C ATOM 1120 O ILE A 71 -4.273 11.073 4.653 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.591 8.645 3.293 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -2.192 7.172 3.436 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.544 9.372 2.445 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.795 6.619 2.065 1.00 0.00 C ATOM 0 H ILE A 71 -2.441 7.308 5.423 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.914 10.079 4.743 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.566 8.712 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.361 7.075 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.022 6.597 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.489 8.909 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.826 10.420 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.571 9.306 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.511 5.571 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.639 6.703 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.952 7.188 1.673 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.002 9.117 5.331 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.371 9.661 5.556 1.00 0.00 C ATOM 1138 C LYS A 72 -6.260 11.027 6.237 1.00 0.00 C ATOM 1139 O LYS A 72 -6.869 11.992 5.818 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.164 8.710 6.454 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.586 9.250 6.628 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.241 8.604 7.851 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.320 9.536 8.406 1.00 0.00 C ATOM 1144 NZ LYS A 72 -10.715 9.083 9.769 1.00 0.00 N ATOM 0 H LYS A 72 -4.885 8.127 5.547 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.884 9.763 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.192 7.713 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.677 8.616 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.561 10.333 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.176 9.041 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.680 7.645 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.490 8.404 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.947 10.559 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.188 9.539 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.448 9.716 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.088 8.113 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.885 9.102 10.395 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.485 11.115 7.282 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.329 12.417 7.987 1.00 0.00 C ATOM 1160 C GLN A 73 -4.700 13.433 7.032 1.00 0.00 C ATOM 1161 O GLN A 73 -5.099 14.578 6.976 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.425 12.231 9.207 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.385 13.525 10.020 1.00 0.00 C ATOM 1164 CD GLN A 73 -4.351 13.187 11.511 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -5.009 13.828 12.307 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -3.607 12.199 11.929 1.00 0.00 N ATOM 0 H GLN A 73 -4.953 10.340 7.678 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.304 12.778 8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.795 11.413 9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.419 11.959 8.888 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.507 14.111 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.259 14.137 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.054 11.660 11.263 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.579 11.966 12.922 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.719 13.022 6.278 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.070 13.968 5.326 1.00 0.00 C ATOM 1177 C GLN A 74 -4.143 14.707 4.524 1.00 0.00 C ATOM 1178 O GLN A 74 -4.077 15.906 4.336 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.170 13.189 4.363 1.00 0.00 C ATOM 1180 CG GLN A 74 -1.052 12.505 5.150 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.092 13.564 5.695 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.288 14.542 4.919 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 0.317 13.500 6.837 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.339 12.075 6.279 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.472 14.687 5.886 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.756 12.446 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.746 13.863 3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.473 11.924 5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.515 11.807 4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.020 12.735 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.958 14.211 7.190 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.126 13.999 4.040 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.197 14.657 3.237 1.00 0.00 C ATOM 1194 C LEU A 75 -6.743 15.878 3.982 1.00 0.00 C ATOM 1195 O LEU A 75 -7.208 16.823 3.377 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.331 13.662 2.987 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.982 12.777 1.788 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.812 13.646 0.540 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.677 12.031 2.071 1.00 0.00 C ATOM 0 H LEU A 75 -5.235 12.993 4.166 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.777 14.982 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.490 13.046 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.262 14.196 2.799 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.785 12.059 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.564 13.014 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.741 14.179 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.010 14.365 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.426 11.400 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.875 12.751 2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.798 11.410 2.959 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.696 15.873 5.284 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.219 17.043 6.046 1.00 0.00 C ATOM 1213 C GLN A 76 -6.406 18.289 5.686 1.00 0.00 C ATOM 1214 O GLN A 76 -6.567 19.340 6.275 1.00 0.00 O ATOM 1215 CB GLN A 76 -7.107 16.772 7.550 1.00 0.00 C ATOM 1216 CG GLN A 76 -8.464 17.011 8.215 1.00 0.00 C ATOM 1217 CD GLN A 76 -9.466 15.966 7.721 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -10.572 16.299 7.341 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -9.125 14.706 7.710 1.00 0.00 N ATOM 0 H GLN A 76 -6.320 15.114 5.853 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.266 17.205 5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.782 15.746 7.722 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.354 17.424 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.365 16.952 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.823 18.013 7.982 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.197 14.426 8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.786 14.002 7.383 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.535 18.180 4.718 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.712 19.357 4.316 1.00 0.00 C ATOM 1230 C GLY A 77 -4.952 19.664 2.837 1.00 0.00 C ATOM 1231 O GLY A 77 -6.000 19.375 2.296 1.00 0.00 O ATOM 0 H GLY A 77 -5.358 17.326 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.973 20.222 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.656 19.152 4.489 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.988 20.249 2.177 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.165 20.572 0.732 1.00 0.00 C ATOM 1237 C GLY A 78 -3.560 19.454 -0.119 1.00 0.00 C ATOM 1238 O GLY A 78 -2.654 19.675 -0.898 1.00 0.00 O ATOM 0 H GLY A 78 -3.088 20.516 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.224 20.687 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.684 21.522 0.499 1.00 0.00 H new ATOM 1242 N ASP A 79 -4.055 18.255 0.022 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.509 17.123 -0.779 1.00 0.00 C ATOM 1244 C ASP A 79 -4.614 16.556 -1.675 1.00 0.00 C ATOM 1245 O ASP A 79 -4.790 15.357 -1.782 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.999 16.035 0.169 1.00 0.00 C ATOM 1247 CG ASP A 79 -3.532 16.297 1.577 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -4.648 16.777 1.688 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -2.814 16.015 2.522 1.00 0.00 O ATOM 0 H ASP A 79 -4.814 18.010 0.658 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.686 17.474 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.324 15.054 -0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.909 16.026 0.177 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.362 17.408 -2.321 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.456 16.920 -3.209 1.00 0.00 C ATOM 1256 C ASN A 80 -5.900 15.884 -4.188 1.00 0.00 C ATOM 1257 O ASN A 80 -6.631 15.283 -4.950 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.043 18.099 -3.990 1.00 0.00 C ATOM 1259 CG ASN A 80 -8.373 18.519 -3.361 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -9.387 17.887 -3.578 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -8.412 19.568 -2.585 1.00 0.00 N ATOM 0 H ASN A 80 -5.263 18.422 -2.272 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.237 16.461 -2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.345 18.936 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.194 17.819 -5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.294 19.856 -2.161 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.561 20.099 -2.402 1.00 0.00 H new ATOM 1268 N SER A 81 -4.615 15.657 -4.165 1.00 0.00 N ATOM 1269 CA SER A 81 -4.024 14.648 -5.083 1.00 0.00 C ATOM 1270 C SER A 81 -4.164 13.278 -4.430 1.00 0.00 C ATOM 1271 O SER A 81 -4.581 12.319 -5.047 1.00 0.00 O ATOM 1272 CB SER A 81 -2.546 14.963 -5.314 1.00 0.00 C ATOM 1273 OG SER A 81 -2.353 15.343 -6.671 1.00 0.00 O ATOM 0 H SER A 81 -3.951 16.127 -3.550 1.00 0.00 H new ATOM 0 HA SER A 81 -4.537 14.663 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.225 15.766 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.935 14.092 -5.078 1.00 0.00 H new ATOM 0 HG SER A 81 -1.393 15.392 -6.864 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.840 13.191 -3.169 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.976 11.897 -2.458 1.00 0.00 C ATOM 1281 C LEU A 82 -5.434 11.459 -2.544 1.00 0.00 C ATOM 1282 O LEU A 82 -5.743 10.298 -2.730 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.582 12.074 -0.999 1.00 0.00 C ATOM 1284 CG LEU A 82 -2.062 12.023 -0.896 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.444 12.929 -1.961 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.625 12.498 0.486 1.00 0.00 C ATOM 0 H LEU A 82 -3.487 13.963 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.328 11.146 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.955 13.025 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.029 11.289 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.727 10.997 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.357 12.891 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.751 12.589 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.783 13.954 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.538 12.460 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.964 13.522 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.061 11.851 1.248 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.332 12.396 -2.423 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.778 12.063 -2.510 1.00 0.00 C ATOM 1300 C HIS A 83 -7.989 11.115 -3.689 1.00 0.00 C ATOM 1301 O HIS A 83 -8.909 10.322 -3.709 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.583 13.345 -2.727 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.949 13.003 -3.253 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.382 12.610 -4.497 1.00 0.00 N flip ATOM 1305 CD2 HIS A 83 -11.084 13.053 -2.455 1.00 0.00 C flip ATOM 1306 CE1 HIS A 83 -11.758 12.421 -4.469 1.00 0.00 C flip ATOM 1307 NE2 HIS A 83 -12.133 12.700 -3.220 1.00 0.00 N flip ATOM 0 H HIS A 83 -6.124 13.382 -2.267 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.110 11.587 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.671 13.894 -1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.065 13.997 -3.430 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -11.119 13.326 -1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.392 12.113 -5.288 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -13.096 12.652 -2.886 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.132 11.188 -4.671 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.267 10.288 -5.847 1.00 0.00 C ATOM 1318 C ASN A 84 -6.339 9.086 -5.668 1.00 0.00 C ATOM 1319 O ASN A 84 -6.645 7.987 -6.085 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.884 11.045 -7.121 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.738 12.307 -7.243 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -7.265 13.445 -6.811 1.00 0.00 O flip ATOM 1323 ND2 ASN A 84 -8.848 12.260 -7.737 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.343 11.834 -4.708 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.299 9.947 -5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.827 11.310 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.032 10.408 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.219 11.372 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.408 13.109 -7.814 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.206 9.283 -5.046 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.267 8.152 -4.838 1.00 0.00 C ATOM 1332 C VAL A 85 -4.621 7.441 -3.532 1.00 0.00 C ATOM 1333 O VAL A 85 -4.744 6.233 -3.482 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.840 8.695 -4.750 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.844 7.594 -5.100 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.674 9.863 -5.724 1.00 0.00 C ATOM 0 H VAL A 85 -4.894 10.180 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.341 7.450 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.651 9.040 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.829 7.987 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.957 6.765 -4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.033 7.242 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.656 10.249 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.869 9.520 -6.740 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.379 10.654 -5.467 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.790 8.185 -2.473 1.00 0.00 N ATOM 1347 CA HIS A 86 -5.141 7.557 -1.170 1.00 0.00 C ATOM 1348 C HIS A 86 -6.435 6.758 -1.334 1.00 0.00 C ATOM 1349 O HIS A 86 -6.760 5.908 -0.528 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.336 8.649 -0.115 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.207 8.128 0.994 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -6.093 7.028 1.811 1.00 0.00 N flip ATOM 1353 CD2 HIS A 86 -7.375 8.771 1.382 1.00 0.00 C flip ATOM 1354 CE1 HIS A 86 -7.171 6.991 2.689 1.00 0.00 C flip ATOM 1355 NE2 HIS A 86 -7.913 8.059 2.391 1.00 0.00 N flip ATOM 0 H HIS A 86 -4.700 9.201 -2.455 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.339 6.891 -0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.370 8.961 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.793 9.529 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -7.778 9.676 0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.367 6.252 3.452 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -8.780 8.306 2.868 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.172 7.021 -2.379 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.439 6.274 -2.604 1.00 0.00 C ATOM 1366 C GLU A 87 -8.124 4.966 -3.334 1.00 0.00 C ATOM 1367 O GLU A 87 -8.949 4.080 -3.425 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.401 7.143 -3.433 1.00 0.00 C ATOM 1369 CG GLU A 87 -9.652 6.511 -4.808 1.00 0.00 C ATOM 1370 CD GLU A 87 -10.494 7.462 -5.662 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -10.190 8.644 -5.672 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -11.428 6.993 -6.290 1.00 0.00 O ATOM 0 H GLU A 87 -6.950 7.722 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.915 6.040 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.346 7.257 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.982 8.142 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.703 6.304 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.166 5.557 -4.693 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.932 4.838 -3.850 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.565 3.587 -4.564 1.00 0.00 C ATOM 1381 C ASN A 88 -6.184 2.520 -3.535 1.00 0.00 C ATOM 1382 O ASN A 88 -6.700 1.422 -3.547 1.00 0.00 O ATOM 1383 CB ASN A 88 -5.381 3.855 -5.496 1.00 0.00 C ATOM 1384 CG ASN A 88 -5.884 4.557 -6.760 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -6.870 4.151 -7.343 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -5.246 5.602 -7.212 1.00 0.00 N ATOM 0 H ASN A 88 -6.199 5.546 -3.807 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.411 3.239 -5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.639 4.475 -4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.889 2.918 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.575 6.076 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.418 5.945 -6.724 1.00 0.00 H new ATOM 1393 N ILE A 89 -5.293 2.841 -2.636 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.888 1.849 -1.600 1.00 0.00 C ATOM 1395 C ILE A 89 -6.119 1.065 -1.143 1.00 0.00 C ATOM 1396 O ILE A 89 -6.139 -0.149 -1.176 1.00 0.00 O ATOM 1397 CB ILE A 89 -4.268 2.587 -0.411 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.908 3.146 -0.830 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -4.084 1.622 0.766 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.833 2.075 -0.638 1.00 0.00 C ATOM 0 H ILE A 89 -4.828 3.747 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.156 1.156 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.926 3.399 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.939 3.462 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.667 4.028 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.642 2.155 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.053 1.218 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.426 0.806 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.864 2.474 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.796 1.780 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.072 1.206 -1.251 1.00 0.00 H new ATOM 1412 N LYS A 90 -7.151 1.746 -0.724 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.376 1.029 -0.277 1.00 0.00 C ATOM 1414 C LYS A 90 -8.712 -0.065 -1.293 1.00 0.00 C ATOM 1415 O LYS A 90 -9.036 -1.180 -0.937 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.545 2.011 -0.182 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.827 1.245 0.150 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.833 2.190 0.810 1.00 0.00 C ATOM 1419 CE LYS A 90 -11.911 1.885 2.306 1.00 0.00 C ATOM 1420 NZ LYS A 90 -12.791 0.702 2.526 1.00 0.00 N ATOM 0 H LYS A 90 -7.198 2.764 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.202 0.585 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.345 2.758 0.586 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.662 2.546 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.254 0.820 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.603 0.413 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.532 3.226 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.815 2.071 0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.914 1.689 2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.303 2.748 2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.845 0.494 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.744 0.906 2.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.399 -0.120 2.025 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.637 0.249 -2.557 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.950 -0.772 -3.598 1.00 0.00 C ATOM 1436 C GLU A 91 -7.711 -1.634 -3.863 1.00 0.00 C ATOM 1437 O GLU A 91 -7.785 -2.846 -3.907 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.365 -0.069 -4.893 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.166 1.191 -4.558 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.037 1.576 -5.755 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.673 1.226 -6.864 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.054 2.215 -5.540 1.00 0.00 O ATOM 0 H GLU A 91 -8.373 1.167 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.765 -1.406 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.482 0.193 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.964 -0.741 -5.508 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.790 1.015 -3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.490 2.009 -4.309 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.575 -1.017 -4.040 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.328 -1.794 -4.304 1.00 0.00 C ATOM 1451 C ILE A 92 -5.055 -2.732 -3.125 1.00 0.00 C ATOM 1452 O ILE A 92 -4.924 -3.929 -3.283 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.153 -0.818 -4.470 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.894 -0.557 -5.965 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.894 -1.390 -3.809 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.238 -1.775 -6.631 1.00 0.00 C ATOM 0 H ILE A 92 -6.455 -0.004 -4.013 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.445 -2.383 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.406 0.125 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.834 -0.327 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.250 0.315 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.068 -0.690 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.080 -1.547 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.637 -2.340 -4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.066 -1.564 -7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.286 -1.988 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.895 -2.639 -6.536 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.951 -2.189 -1.946 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.671 -3.035 -0.755 1.00 0.00 C ATOM 1470 C PHE A 93 -5.688 -4.175 -0.680 1.00 0.00 C ATOM 1471 O PHE A 93 -5.332 -5.337 -0.660 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.767 -2.166 0.500 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.799 -3.025 1.744 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -4.223 -4.304 1.747 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.403 -2.529 2.904 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.254 -5.080 2.910 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.436 -3.307 4.065 1.00 0.00 C ATOM 1478 CZ PHE A 93 -4.861 -4.582 4.069 1.00 0.00 C ATOM 0 H PHE A 93 -5.048 -1.192 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.671 -3.462 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.916 -1.486 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.665 -1.550 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.756 -4.689 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.845 -1.543 2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.809 -6.064 2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.905 -2.924 4.959 1.00 0.00 H new ATOM 0 HZ PHE A 93 -4.885 -5.182 4.966 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.952 -3.855 -0.641 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.987 -4.924 -0.573 1.00 0.00 C ATOM 1490 C HIS A 94 -7.933 -5.760 -1.851 1.00 0.00 C ATOM 1491 O HIS A 94 -8.690 -6.695 -2.026 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.370 -4.287 -0.433 1.00 0.00 C ATOM 1493 CG HIS A 94 -10.359 -5.318 0.042 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -11.690 -5.303 -0.354 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -10.229 -6.400 0.878 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.301 -6.345 0.239 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -11.456 -7.043 0.998 1.00 0.00 N ATOM 0 H HIS A 94 -7.312 -2.901 -0.653 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.797 -5.564 0.289 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.329 -3.457 0.272 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.690 -3.876 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.315 -6.704 1.367 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.346 -6.586 0.115 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.666 -7.874 1.551 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.036 -5.437 -2.745 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.929 -6.222 -4.006 1.00 0.00 C ATOM 1508 C HIS A 95 -6.035 -7.435 -3.759 1.00 0.00 C ATOM 1509 O HIS A 95 -6.256 -8.502 -4.294 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.319 -5.351 -5.106 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.038 -5.604 -6.402 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.971 -6.824 -7.061 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.847 -4.805 -7.171 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.720 -6.723 -8.176 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.273 -5.515 -8.288 1.00 0.00 N ATOM 0 H HIS A 95 -6.375 -4.665 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.920 -6.550 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.395 -4.298 -4.835 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.258 -5.576 -5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.112 -3.783 -6.944 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -7.856 -7.521 -8.891 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -8.881 -5.182 -9.036 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.029 -7.281 -2.941 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.129 -8.430 -2.651 1.00 0.00 C ATOM 1526 C LEU A 96 -4.909 -9.474 -1.854 1.00 0.00 C ATOM 1527 O LEU A 96 -4.986 -10.625 -2.233 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.929 -7.952 -1.835 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.669 -8.699 -2.285 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.560 -8.469 -1.261 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.957 -10.202 -2.391 1.00 0.00 C ATOM 0 H LEU A 96 -4.793 -6.411 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.771 -8.865 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.793 -6.878 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.107 -8.125 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.360 -8.326 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.340 -8.998 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.348 -7.402 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.880 -8.842 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.055 -10.724 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.270 -10.582 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.751 -10.370 -3.119 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.498 -9.080 -0.756 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.282 -10.056 0.048 1.00 0.00 C ATOM 1545 C GLU A 97 -7.242 -10.797 -0.882 1.00 0.00 C ATOM 1546 O GLU A 97 -7.939 -11.707 -0.479 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.079 -9.311 1.124 1.00 0.00 C ATOM 1548 CG GLU A 97 -6.691 -9.839 2.506 1.00 0.00 C ATOM 1549 CD GLU A 97 -7.167 -8.857 3.578 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -8.260 -8.336 3.435 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -6.428 -8.642 4.526 1.00 0.00 O ATOM 0 H GLU A 97 -5.469 -8.130 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.611 -10.766 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.880 -8.241 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.148 -9.446 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.138 -10.819 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.610 -9.967 2.568 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.281 -10.411 -2.129 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.189 -11.085 -3.092 1.00 0.00 C ATOM 1560 C GLU A 98 -7.444 -12.229 -3.777 1.00 0.00 C ATOM 1561 O GLU A 98 -7.931 -13.341 -3.846 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.658 -10.082 -4.145 1.00 0.00 C ATOM 1563 CG GLU A 98 -10.168 -10.214 -4.334 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.595 -9.471 -5.600 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.485 -8.257 -5.615 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.024 -10.129 -6.534 1.00 0.00 O ATOM 0 H GLU A 98 -6.720 -9.655 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.054 -11.479 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.406 -9.068 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.145 -10.263 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.445 -11.266 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.690 -9.807 -3.468 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.268 -11.977 -4.289 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.523 -13.070 -4.963 1.00 0.00 C ATOM 1575 C LEU A 99 -5.313 -14.217 -3.976 1.00 0.00 C ATOM 1576 O LEU A 99 -4.892 -15.297 -4.338 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.168 -12.553 -5.452 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.126 -12.587 -6.981 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -4.793 -11.327 -7.536 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -2.674 -12.633 -7.451 1.00 0.00 C ATOM 0 H LEU A 99 -5.799 -11.071 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.095 -13.425 -5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.006 -11.535 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.365 -13.165 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.654 -13.471 -7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.764 -11.350 -8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.830 -11.287 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.261 -10.446 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.645 -12.657 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.148 -11.748 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.192 -13.527 -7.055 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.615 -13.988 -2.731 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.447 -15.057 -1.709 1.00 0.00 C ATOM 1594 C VAL A 100 -6.823 -15.593 -1.318 1.00 0.00 C ATOM 1595 O VAL A 100 -6.986 -16.759 -1.014 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.739 -14.482 -0.481 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.939 -13.247 -0.889 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.770 -14.084 0.571 1.00 0.00 C ATOM 0 H VAL A 100 -5.973 -13.102 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.845 -15.869 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.070 -15.237 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.434 -12.836 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.199 -13.525 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.613 -12.498 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.260 -13.675 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.441 -13.331 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.347 -14.961 0.865 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.816 -14.747 -1.320 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.180 -15.201 -0.946 1.00 0.00 C ATOM 1610 C HIS A 101 -9.465 -16.555 -1.603 1.00 0.00 C ATOM 1611 O HIS A 101 -10.376 -17.261 -1.221 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.210 -14.174 -1.423 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.594 -14.659 -1.090 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -12.121 -14.573 0.192 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -12.575 -15.235 -1.860 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -13.364 -15.086 0.156 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -13.687 -15.502 -1.069 1.00 0.00 N ATOM 0 H HIS A 101 -7.739 -13.760 -1.565 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.245 -15.302 0.137 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.026 -13.211 -0.947 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.116 -14.021 -2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.495 -15.447 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -14.019 -15.153 1.012 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.566 -15.927 -1.364 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.689 -16.921 -2.587 1.00 0.00 N ATOM 1627 CA ARG A 102 -8.914 -18.228 -3.264 1.00 0.00 C ATOM 1628 C ARG A 102 -7.880 -19.242 -2.770 1.00 0.00 C ATOM 1629 O ARG A 102 -8.268 -20.162 -2.070 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.775 -18.054 -4.778 1.00 0.00 C ATOM 1631 CG ARG A 102 -8.753 -16.565 -5.126 1.00 0.00 C ATOM 1632 CD ARG A 102 -8.678 -16.399 -6.645 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.056 -16.414 -7.211 1.00 0.00 N ATOM 1634 CZ ARG A 102 -10.278 -16.943 -8.385 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -9.289 -17.440 -9.078 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -11.489 -16.970 -8.869 1.00 0.00 N ATOM 1637 OXT ARG A 102 -6.716 -19.078 -3.099 1.00 0.00 O ATOM 0 H ARG A 102 -7.910 -16.372 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.917 -18.587 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.859 -18.532 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.604 -18.544 -5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.648 -16.077 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.897 -16.083 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.180 -15.463 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.085 -17.203 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.828 -16.010 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.341 -17.416 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.465 -17.852 -9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.262 -16.578 -8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.663 -17.383 -9.785 1.00 0.00 H new TER 1651 ARG A 102