USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 747 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 73 GLN : amide:sc= -0.463 X(o=-0.65,f=-0.83) USER MOD Set 1.2: A 143 MET CE :methyl -161:sc= -0.182 (180deg=-0.967) USER MOD Set 2.1: A 121 ASN : amide:sc= -1.71 K(o=-2.9,f=0.21) USER MOD Set 2.2: A 137 MET CE :methyl 150:sc= -1.15 (180deg=-2.19) USER MOD Set 3.1: A 101 HIS : no HD1:sc= -0.0738 X(o=-2,f=-1.9) USER MOD Set 3.2: A 106 HIS : no HD1:sc= -1.93 K(o=-2,f=-4.4!) USER MOD Set 4.1: A 89 ASN : amide:sc= -0.572 K(o=-1.7,f=-1.2) USER MOD Set 4.2: A 93 SER OG : rot 170:sc= -1.14 USER MOD Set 4.3: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -128:sc= -0.382 (180deg=-0.492) USER MOD Single : A 87 LYS NZ :NH3+ -113:sc= 0.486 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.8!) USER MOD Single : A 94 CYS SG : rot -110:sc= -2.59 USER MOD Single : A 104 MET CE :methyl 165:sc= -0.654 (180deg=-1.45!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -1 K(o=-1,f=-0.15) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -3.31 X(o=-3.3,f=-3.4!) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -1.55 K(o=-1.6,f=-5.6!) USER MOD Single : A 128 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-1.3) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 134 GLN : amide:sc= -3.23! C(o=-3.2!,f=-3.8!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 THR OG1 : rot 63:sc= -3.28 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 ASN : amide:sc= -2.88 K(o=-2.9,f=-2.2) USER MOD Single : A 152 GLN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 153 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : B 124 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.347) USER MOD Single : B 126 TYR OH : rot 180:sc= -0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 6.340 13.793 3.185 1.00 0.00 N ATOM 2 CA VAL A 69 6.236 12.385 3.647 1.00 0.00 C ATOM 3 C VAL A 69 5.233 12.253 4.789 1.00 0.00 C ATOM 4 O VAL A 69 5.462 12.750 5.892 1.00 0.00 O ATOM 5 CB VAL A 69 7.604 11.847 4.113 1.00 0.00 C ATOM 6 CG1 VAL A 69 8.135 12.664 5.282 1.00 0.00 C ATOM 7 CG2 VAL A 69 7.503 10.374 4.486 1.00 0.00 C ATOM 0 HA VAL A 69 5.892 11.796 2.797 1.00 0.00 H new ATOM 0 HB VAL A 69 8.307 11.942 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.101 12.267 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.252 13.704 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.433 12.607 6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.479 10.014 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.782 10.252 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.176 9.801 3.619 1.00 0.00 H new ATOM 17 N ARG A 70 4.121 11.581 4.514 1.00 0.00 N ATOM 18 CA ARG A 70 3.081 11.382 5.517 1.00 0.00 C ATOM 19 C ARG A 70 3.148 9.974 6.099 1.00 0.00 C ATOM 20 O ARG A 70 3.130 8.986 5.363 1.00 0.00 O ATOM 21 CB ARG A 70 1.700 11.628 4.905 1.00 0.00 C ATOM 22 CG ARG A 70 1.278 13.088 4.925 1.00 0.00 C ATOM 23 CD ARG A 70 -0.236 13.231 4.923 1.00 0.00 C ATOM 24 NE ARG A 70 -0.682 14.329 5.777 1.00 0.00 N ATOM 25 CZ ARG A 70 -0.639 15.610 5.421 1.00 0.00 C ATOM 26 NH1 ARG A 70 -0.170 15.958 4.229 1.00 0.00 N ATOM 27 NH2 ARG A 70 -1.066 16.546 6.257 1.00 0.00 N ATOM 0 H ARG A 70 3.916 11.165 3.606 1.00 0.00 H new ATOM 0 HA ARG A 70 3.247 12.097 6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.700 11.272 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.961 11.037 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.689 13.575 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.694 13.600 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.583 13.400 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.689 12.300 5.263 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.048 14.100 6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.159 15.242 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.139 16.942 3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.428 16.284 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.033 17.528 5.983 1.00 0.00 H new ATOM 41 N LEU A 71 3.228 9.889 7.422 1.00 0.00 N ATOM 42 CA LEU A 71 3.300 8.602 8.102 1.00 0.00 C ATOM 43 C LEU A 71 1.935 8.198 8.648 1.00 0.00 C ATOM 44 O LEU A 71 1.516 8.661 9.710 1.00 0.00 O ATOM 45 CB LEU A 71 4.319 8.661 9.241 1.00 0.00 C ATOM 46 CG LEU A 71 5.102 7.368 9.478 1.00 0.00 C ATOM 47 CD1 LEU A 71 6.506 7.677 9.972 1.00 0.00 C ATOM 48 CD2 LEU A 71 4.370 6.478 10.472 1.00 0.00 C ATOM 0 H LEU A 71 3.245 10.697 8.045 1.00 0.00 H new ATOM 0 HA LEU A 71 3.618 7.853 7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.027 9.463 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.798 8.926 10.161 1.00 0.00 H new ATOM 0 HG LEU A 71 5.182 6.835 8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.048 6.745 10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.030 8.276 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.448 8.232 10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.940 5.563 10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.260 7.005 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.384 6.228 10.080 1.00 0.00 H new ATOM 60 N ILE A 72 1.244 7.328 7.917 1.00 0.00 N ATOM 61 CA ILE A 72 -0.072 6.859 8.330 1.00 0.00 C ATOM 62 C ILE A 72 0.042 5.617 9.205 1.00 0.00 C ATOM 63 O ILE A 72 0.926 4.784 9.005 1.00 0.00 O ATOM 64 CB ILE A 72 -0.963 6.538 7.115 1.00 0.00 C ATOM 65 CG1 ILE A 72 -0.945 7.699 6.119 1.00 0.00 C ATOM 66 CG2 ILE A 72 -2.386 6.239 7.566 1.00 0.00 C ATOM 67 CD1 ILE A 72 -0.005 7.480 4.954 1.00 0.00 C ATOM 0 H ILE A 72 1.575 6.934 7.036 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.531 7.665 8.902 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.567 5.653 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.954 7.855 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.657 8.611 6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.004 6.014 6.696 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.382 5.382 8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.793 7.107 8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.043 8.342 4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.012 7.354 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.305 6.586 4.407 1.00 0.00 H new ATOM 79 N GLN A 73 -0.855 5.498 10.177 1.00 0.00 N ATOM 80 CA GLN A 73 -0.849 4.356 11.082 1.00 0.00 C ATOM 81 C GLN A 73 -2.261 3.829 11.313 1.00 0.00 C ATOM 82 O GLN A 73 -3.145 4.565 11.753 1.00 0.00 O ATOM 83 CB GLN A 73 -0.214 4.744 12.419 1.00 0.00 C ATOM 84 CG GLN A 73 1.287 4.515 12.469 1.00 0.00 C ATOM 85 CD GLN A 73 1.902 4.969 13.778 1.00 0.00 C ATOM 86 OE1 GLN A 73 1.376 4.686 14.855 1.00 0.00 O ATOM 87 NE2 GLN A 73 3.022 5.676 13.693 1.00 0.00 N ATOM 0 H GLN A 73 -1.594 6.177 10.358 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.259 3.564 10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.419 5.796 12.617 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.687 4.171 13.216 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.494 3.455 12.323 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.760 5.049 11.645 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.423 5.888 12.780 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.481 6.008 14.541 1.00 0.00 H new ATOM 96 N PHE A 74 -2.466 2.550 11.019 1.00 0.00 N ATOM 97 CA PHE A 74 -3.770 1.922 11.202 1.00 0.00 C ATOM 98 C PHE A 74 -3.615 0.447 11.559 1.00 0.00 C ATOM 99 O PHE A 74 -2.898 -0.293 10.887 1.00 0.00 O ATOM 100 CB PHE A 74 -4.623 2.072 9.940 1.00 0.00 C ATOM 101 CG PHE A 74 -3.890 1.756 8.667 1.00 0.00 C ATOM 102 CD1 PHE A 74 -3.638 0.443 8.301 1.00 0.00 C ATOM 103 CD2 PHE A 74 -3.455 2.774 7.833 1.00 0.00 C ATOM 104 CE1 PHE A 74 -2.968 0.152 7.128 1.00 0.00 C ATOM 105 CE2 PHE A 74 -2.784 2.489 6.660 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.541 1.176 6.307 1.00 0.00 C ATOM 0 H PHE A 74 -1.746 1.927 10.653 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.274 2.427 12.026 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.491 1.417 10.020 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.999 3.094 9.887 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.969 -0.362 8.940 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.643 3.802 8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.779 -0.875 6.854 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.450 3.292 6.020 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.017 0.951 5.390 1.00 0.00 H new ATOM 116 N GLU A 75 -4.288 0.030 12.626 1.00 0.00 N ATOM 117 CA GLU A 75 -4.221 -1.355 13.078 1.00 0.00 C ATOM 118 C GLU A 75 -5.142 -2.250 12.254 1.00 0.00 C ATOM 119 O GLU A 75 -6.322 -1.951 12.075 1.00 0.00 O ATOM 120 CB GLU A 75 -4.593 -1.448 14.558 1.00 0.00 C ATOM 121 CG GLU A 75 -5.972 -0.897 14.876 1.00 0.00 C ATOM 122 CD GLU A 75 -5.975 0.005 16.096 1.00 0.00 C ATOM 123 OE1 GLU A 75 -5.252 1.024 16.081 1.00 0.00 O ATOM 124 OE2 GLU A 75 -6.700 -0.307 17.064 1.00 0.00 O ATOM 0 H GLU A 75 -4.886 0.631 13.194 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.197 -1.702 12.943 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.547 -2.491 14.870 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.851 -0.907 15.145 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.343 -0.339 14.016 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.661 -1.726 15.040 1.00 0.00 H new ATOM 131 N LYS A 76 -4.588 -3.354 11.764 1.00 0.00 N ATOM 132 CA LYS A 76 -5.348 -4.305 10.965 1.00 0.00 C ATOM 133 C LYS A 76 -5.164 -5.717 11.510 1.00 0.00 C ATOM 134 O LYS A 76 -4.074 -6.283 11.432 1.00 0.00 O ATOM 135 CB LYS A 76 -4.905 -4.244 9.500 1.00 0.00 C ATOM 136 CG LYS A 76 -5.911 -3.556 8.591 1.00 0.00 C ATOM 137 CD LYS A 76 -7.044 -4.493 8.205 1.00 0.00 C ATOM 138 CE LYS A 76 -8.389 -3.783 8.238 1.00 0.00 C ATOM 139 NZ LYS A 76 -9.285 -4.240 7.140 1.00 0.00 N ATOM 0 H LYS A 76 -3.612 -3.612 11.908 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.404 -4.041 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.952 -3.718 9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.734 -5.258 9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.318 -2.679 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -5.408 -3.202 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.865 -4.890 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.063 -5.343 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.871 -3.963 9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.234 -2.707 8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.191 -3.733 7.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.837 -4.045 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.454 -5.262 7.233 1.00 0.00 H new ATOM 153 N VAL A 77 -6.230 -6.276 12.070 1.00 0.00 N ATOM 154 CA VAL A 77 -6.172 -7.618 12.633 1.00 0.00 C ATOM 155 C VAL A 77 -7.255 -8.524 12.041 1.00 0.00 C ATOM 156 O VAL A 77 -7.545 -9.592 12.579 1.00 0.00 O ATOM 157 CB VAL A 77 -6.290 -7.571 14.177 1.00 0.00 C ATOM 158 CG1 VAL A 77 -7.715 -7.842 14.646 1.00 0.00 C ATOM 159 CG2 VAL A 77 -5.315 -8.551 14.810 1.00 0.00 C ATOM 0 H VAL A 77 -7.141 -5.823 12.146 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.203 -8.042 12.370 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.033 -6.562 14.500 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.754 -7.800 15.734 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.384 -7.089 14.229 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.027 -8.831 14.310 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.408 -8.508 15.895 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.540 -9.561 14.467 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.297 -8.288 14.523 1.00 0.00 H new ATOM 169 N THR A 78 -7.842 -8.092 10.928 1.00 0.00 N ATOM 170 CA THR A 78 -8.885 -8.867 10.263 1.00 0.00 C ATOM 171 C THR A 78 -8.360 -9.467 8.967 1.00 0.00 C ATOM 172 O THR A 78 -7.428 -8.938 8.362 1.00 0.00 O ATOM 173 CB THR A 78 -10.108 -7.990 9.965 1.00 0.00 C ATOM 174 OG1 THR A 78 -10.037 -7.450 8.656 1.00 0.00 O ATOM 175 CG2 THR A 78 -10.270 -6.831 10.923 1.00 0.00 C ATOM 0 H THR A 78 -7.613 -7.211 10.468 1.00 0.00 H new ATOM 0 HA THR A 78 -9.183 -9.672 10.934 1.00 0.00 H new ATOM 0 HB THR A 78 -10.964 -8.656 10.076 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.828 -6.896 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.155 -6.255 10.651 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.382 -7.211 11.938 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.390 -6.190 10.871 1.00 0.00 H new ATOM 183 N GLU A 79 -8.970 -10.563 8.533 1.00 0.00 N ATOM 184 CA GLU A 79 -8.560 -11.209 7.296 1.00 0.00 C ATOM 185 C GLU A 79 -9.168 -10.491 6.111 1.00 0.00 C ATOM 186 O GLU A 79 -10.182 -10.917 5.557 1.00 0.00 O ATOM 187 CB GLU A 79 -8.954 -12.687 7.291 1.00 0.00 C ATOM 188 CG GLU A 79 -10.452 -12.919 7.404 1.00 0.00 C ATOM 189 CD GLU A 79 -10.788 -14.205 8.133 1.00 0.00 C ATOM 190 OE1 GLU A 79 -10.016 -14.597 9.033 1.00 0.00 O ATOM 191 OE2 GLU A 79 -11.823 -14.820 7.804 1.00 0.00 O ATOM 0 H GLU A 79 -9.744 -11.019 9.016 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.474 -11.154 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.592 -13.148 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.454 -13.190 8.118 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.908 -12.079 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.888 -12.947 6.405 1.00 0.00 H new ATOM 198 N GLU A 80 -8.551 -9.378 5.747 1.00 0.00 N ATOM 199 CA GLU A 80 -9.041 -8.573 4.649 1.00 0.00 C ATOM 200 C GLU A 80 -8.024 -7.502 4.254 1.00 0.00 C ATOM 201 O GLU A 80 -7.417 -6.867 5.116 1.00 0.00 O ATOM 202 CB GLU A 80 -10.348 -7.934 5.090 1.00 0.00 C ATOM 203 CG GLU A 80 -11.554 -8.394 4.291 1.00 0.00 C ATOM 204 CD GLU A 80 -12.231 -7.260 3.547 1.00 0.00 C ATOM 205 OE1 GLU A 80 -11.734 -6.878 2.467 1.00 0.00 O ATOM 206 OE2 GLU A 80 -13.259 -6.755 4.044 1.00 0.00 O ATOM 0 H GLU A 80 -7.711 -9.015 6.198 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.201 -9.200 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.514 -8.159 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.259 -6.851 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.242 -9.156 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.273 -8.862 4.963 1.00 0.00 H new ATOM 213 N PRO A 81 -7.824 -7.284 2.941 1.00 0.00 N ATOM 214 CA PRO A 81 -6.874 -6.281 2.448 1.00 0.00 C ATOM 215 C PRO A 81 -7.123 -4.904 3.052 1.00 0.00 C ATOM 216 O PRO A 81 -8.233 -4.601 3.491 1.00 0.00 O ATOM 217 CB PRO A 81 -7.129 -6.257 0.938 1.00 0.00 C ATOM 218 CG PRO A 81 -7.707 -7.595 0.628 1.00 0.00 C ATOM 219 CD PRO A 81 -8.503 -7.992 1.840 1.00 0.00 C ATOM 0 HA PRO A 81 -5.846 -6.528 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.817 -5.456 0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.206 -6.087 0.384 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.341 -7.551 -0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.921 -8.322 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.547 -7.691 1.752 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.494 -9.072 1.991 1.00 0.00 H new ATOM 227 N MET A 82 -6.086 -4.073 3.071 1.00 0.00 N ATOM 228 CA MET A 82 -6.196 -2.727 3.622 1.00 0.00 C ATOM 229 C MET A 82 -7.261 -1.923 2.883 1.00 0.00 C ATOM 230 O MET A 82 -8.019 -1.169 3.493 1.00 0.00 O ATOM 231 CB MET A 82 -4.850 -2.008 3.541 1.00 0.00 C ATOM 232 CG MET A 82 -4.010 -2.145 4.802 1.00 0.00 C ATOM 233 SD MET A 82 -2.467 -3.034 4.521 1.00 0.00 S ATOM 234 CE MET A 82 -1.644 -1.928 3.378 1.00 0.00 C ATOM 0 H MET A 82 -5.161 -4.308 2.712 1.00 0.00 H new ATOM 0 HA MET A 82 -6.491 -2.812 4.668 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.287 -2.402 2.695 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.024 -0.950 3.343 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.786 -1.153 5.193 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.590 -2.665 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.320 -2.487 2.500 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.334 -1.141 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.777 -1.482 3.864 1.00 0.00 H new ATOM 244 N GLY A 83 -7.310 -2.089 1.565 1.00 0.00 N ATOM 245 CA GLY A 83 -8.284 -1.372 0.763 1.00 0.00 C ATOM 246 C GLY A 83 -7.635 -0.480 -0.277 1.00 0.00 C ATOM 247 O GLY A 83 -8.142 0.600 -0.582 1.00 0.00 O ATOM 0 H GLY A 83 -6.693 -2.707 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.938 -2.088 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.912 -0.766 1.416 1.00 0.00 H new ATOM 251 N ILE A 84 -6.512 -0.934 -0.822 1.00 0.00 N ATOM 252 CA ILE A 84 -5.791 -0.173 -1.834 1.00 0.00 C ATOM 253 C ILE A 84 -5.002 -1.098 -2.753 1.00 0.00 C ATOM 254 O ILE A 84 -4.625 -2.202 -2.362 1.00 0.00 O ATOM 255 CB ILE A 84 -4.824 0.841 -1.195 1.00 0.00 C ATOM 256 CG1 ILE A 84 -3.996 0.170 -0.098 1.00 0.00 C ATOM 257 CG2 ILE A 84 -5.595 2.027 -0.635 1.00 0.00 C ATOM 258 CD1 ILE A 84 -2.948 1.078 0.509 1.00 0.00 C ATOM 0 H ILE A 84 -6.081 -1.826 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.538 0.367 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.143 1.205 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.665 -0.177 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.506 -0.711 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.898 2.735 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.143 2.517 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.297 1.679 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.399 0.536 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.256 1.405 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.433 1.948 0.953 1.00 0.00 H new ATOM 270 N CYS A 85 -4.749 -0.638 -3.974 1.00 0.00 N ATOM 271 CA CYS A 85 -3.997 -1.423 -4.943 1.00 0.00 C ATOM 272 C CYS A 85 -2.815 -0.617 -5.465 1.00 0.00 C ATOM 273 O CYS A 85 -2.994 0.475 -5.993 1.00 0.00 O ATOM 274 CB CYS A 85 -4.903 -1.850 -6.103 1.00 0.00 C ATOM 275 SG CYS A 85 -4.827 -3.631 -6.491 1.00 0.00 S ATOM 0 H CYS A 85 -5.054 0.274 -4.315 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.621 -2.319 -4.450 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -5.933 -1.585 -5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -4.628 -1.283 -6.992 1.00 0.00 H new ATOM 280 N LEU A 86 -1.612 -1.161 -5.307 1.00 0.00 N ATOM 281 CA LEU A 86 -0.395 -0.494 -5.754 1.00 0.00 C ATOM 282 C LEU A 86 0.408 -1.396 -6.687 1.00 0.00 C ATOM 283 O LEU A 86 0.238 -2.615 -6.682 1.00 0.00 O ATOM 284 CB LEU A 86 0.469 -0.094 -4.554 1.00 0.00 C ATOM 285 CG LEU A 86 -0.305 0.395 -3.327 1.00 0.00 C ATOM 286 CD1 LEU A 86 -0.856 -0.783 -2.541 1.00 0.00 C ATOM 287 CD2 LEU A 86 0.585 1.259 -2.445 1.00 0.00 C ATOM 0 H LEU A 86 -1.454 -2.069 -4.869 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.686 0.404 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.077 -0.951 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.156 0.692 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.144 1.002 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.403 -0.417 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.527 -1.362 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.033 -1.417 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.019 1.598 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.444 0.676 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.931 2.123 -3.013 1.00 0.00 H new ATOM 299 N LYS A 87 1.282 -0.793 -7.486 1.00 0.00 N ATOM 300 CA LYS A 87 2.107 -1.547 -8.423 1.00 0.00 C ATOM 301 C LYS A 87 3.508 -0.952 -8.527 1.00 0.00 C ATOM 302 O LYS A 87 3.730 0.204 -8.164 1.00 0.00 O ATOM 303 CB LYS A 87 1.449 -1.570 -9.804 1.00 0.00 C ATOM 304 CG LYS A 87 1.408 -0.211 -10.485 1.00 0.00 C ATOM 305 CD LYS A 87 0.835 -0.308 -11.889 1.00 0.00 C ATOM 306 CE LYS A 87 0.050 0.941 -12.257 1.00 0.00 C ATOM 307 NZ LYS A 87 -1.074 0.638 -13.184 1.00 0.00 N ATOM 0 H LYS A 87 1.437 0.215 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 87 2.196 -2.567 -8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.989 -2.270 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.431 -1.948 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.805 0.476 -9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.414 0.205 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.644 -0.454 -12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.186 -1.181 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.342 1.404 -11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.718 1.666 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.887 1.073 -14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.163 -0.392 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.959 1.021 -12.794 1.00 0.00 H new ATOM 321 N LEU A 88 4.448 -1.750 -9.035 1.00 0.00 N ATOM 322 CA LEU A 88 5.823 -1.307 -9.203 1.00 0.00 C ATOM 323 C LEU A 88 6.094 -0.943 -10.658 1.00 0.00 C ATOM 324 O LEU A 88 6.278 -1.817 -11.504 1.00 0.00 O ATOM 325 CB LEU A 88 6.801 -2.398 -8.748 1.00 0.00 C ATOM 326 CG LEU A 88 6.333 -3.264 -7.569 1.00 0.00 C ATOM 327 CD1 LEU A 88 5.603 -2.423 -6.531 1.00 0.00 C ATOM 328 CD2 LEU A 88 5.450 -4.404 -8.058 1.00 0.00 C ATOM 0 H LEU A 88 4.276 -2.709 -9.337 1.00 0.00 H new ATOM 0 HA LEU A 88 5.971 -0.422 -8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.007 -3.052 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.744 -1.924 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 88 7.215 -3.693 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.282 -3.060 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.272 -1.650 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.731 -1.956 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.129 -5.006 -7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.576 -3.995 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.013 -5.028 -8.752 1.00 0.00 H new ATOM 340 N ASN A 89 6.122 0.355 -10.939 1.00 0.00 N ATOM 341 CA ASN A 89 6.376 0.842 -12.290 1.00 0.00 C ATOM 342 C ASN A 89 7.790 0.483 -12.728 1.00 0.00 C ATOM 343 O ASN A 89 8.560 -0.085 -11.957 1.00 0.00 O ATOM 344 CB ASN A 89 6.176 2.356 -12.358 1.00 0.00 C ATOM 345 CG ASN A 89 4.881 2.799 -11.706 1.00 0.00 C ATOM 346 OD1 ASN A 89 3.835 2.866 -12.353 1.00 0.00 O ATOM 347 ND2 ASN A 89 4.944 3.105 -10.414 1.00 0.00 N ATOM 0 H ASN A 89 5.972 1.090 -10.248 1.00 0.00 H new ATOM 0 HA ASN A 89 5.667 0.364 -12.966 1.00 0.00 H new ATOM 0 HB2 ASN A 89 7.014 2.853 -11.869 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.182 2.674 -13.401 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.105 3.409 -9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.832 3.035 -9.916 1.00 0.00 H new ATOM 354 N GLU A 90 8.129 0.812 -13.970 1.00 0.00 N ATOM 355 CA GLU A 90 9.459 0.522 -14.501 1.00 0.00 C ATOM 356 C GLU A 90 10.546 1.001 -13.539 1.00 0.00 C ATOM 357 O GLU A 90 11.647 0.452 -13.508 1.00 0.00 O ATOM 358 CB GLU A 90 9.640 1.186 -15.867 1.00 0.00 C ATOM 359 CG GLU A 90 8.757 0.593 -16.953 1.00 0.00 C ATOM 360 CD GLU A 90 9.278 -0.735 -17.467 1.00 0.00 C ATOM 361 OE1 GLU A 90 10.365 -0.748 -18.082 1.00 0.00 O ATOM 362 OE2 GLU A 90 8.599 -1.761 -17.255 1.00 0.00 O ATOM 0 H GLU A 90 7.504 1.278 -14.627 1.00 0.00 H new ATOM 0 HA GLU A 90 9.551 -0.558 -14.615 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.424 2.251 -15.776 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.683 1.097 -16.170 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.749 0.457 -16.562 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.685 1.297 -17.782 1.00 0.00 H new ATOM 369 N LYS A 91 10.226 2.029 -12.757 1.00 0.00 N ATOM 370 CA LYS A 91 11.170 2.586 -11.792 1.00 0.00 C ATOM 371 C LYS A 91 11.239 1.745 -10.519 1.00 0.00 C ATOM 372 O LYS A 91 12.099 1.968 -9.666 1.00 0.00 O ATOM 373 CB LYS A 91 10.783 4.020 -11.437 1.00 0.00 C ATOM 374 CG LYS A 91 9.313 4.192 -11.097 1.00 0.00 C ATOM 375 CD LYS A 91 9.136 4.744 -9.695 1.00 0.00 C ATOM 376 CE LYS A 91 8.891 6.243 -9.710 1.00 0.00 C ATOM 377 NZ LYS A 91 9.300 6.887 -8.432 1.00 0.00 N ATOM 0 H LYS A 91 9.318 2.494 -12.773 1.00 0.00 H new ATOM 0 HA LYS A 91 12.155 2.578 -12.259 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.383 4.349 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.031 4.671 -12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.847 4.864 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.803 3.232 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.299 4.243 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.025 4.526 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.443 6.692 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.834 6.436 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.116 7.909 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.755 6.477 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.315 6.725 -8.271 1.00 0.00 H new ATOM 391 N GLN A 92 10.331 0.781 -10.391 1.00 0.00 N ATOM 392 CA GLN A 92 10.292 -0.087 -9.220 1.00 0.00 C ATOM 393 C GLN A 92 9.887 0.695 -7.975 1.00 0.00 C ATOM 394 O GLN A 92 10.724 1.021 -7.133 1.00 0.00 O ATOM 395 CB GLN A 92 11.653 -0.753 -8.998 1.00 0.00 C ATOM 396 CG GLN A 92 11.628 -1.856 -7.953 1.00 0.00 C ATOM 397 CD GLN A 92 12.697 -1.681 -6.893 1.00 0.00 C ATOM 398 OE1 GLN A 92 12.400 -1.379 -5.737 1.00 0.00 O ATOM 399 NE2 GLN A 92 13.954 -1.867 -7.284 1.00 0.00 N ATOM 0 H GLN A 92 9.611 0.582 -11.086 1.00 0.00 H new ATOM 0 HA GLN A 92 9.546 -0.860 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.004 -1.168 -9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.374 0.006 -8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.648 -1.876 -7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.763 -2.820 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.155 -2.117 -8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.717 -1.760 -6.616 1.00 0.00 H new ATOM 408 N SER A 93 8.595 0.992 -7.862 1.00 0.00 N ATOM 409 CA SER A 93 8.079 1.734 -6.715 1.00 0.00 C ATOM 410 C SER A 93 6.611 1.401 -6.480 1.00 0.00 C ATOM 411 O SER A 93 5.861 1.175 -7.426 1.00 0.00 O ATOM 412 CB SER A 93 8.254 3.240 -6.924 1.00 0.00 C ATOM 413 OG SER A 93 7.082 3.827 -7.464 1.00 0.00 O ATOM 0 H SER A 93 7.888 0.731 -8.549 1.00 0.00 H new ATOM 0 HA SER A 93 8.648 1.439 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.496 3.715 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.095 3.421 -7.594 1.00 0.00 H new ATOM 0 HG SER A 93 7.163 4.803 -7.436 1.00 0.00 H new ATOM 419 N CYS A 94 6.204 1.368 -5.219 1.00 0.00 N ATOM 420 CA CYS A 94 4.823 1.048 -4.882 1.00 0.00 C ATOM 421 C CYS A 94 3.950 2.297 -4.881 1.00 0.00 C ATOM 422 O CYS A 94 4.099 3.176 -4.033 1.00 0.00 O ATOM 423 CB CYS A 94 4.759 0.363 -3.516 1.00 0.00 C ATOM 424 SG CYS A 94 3.812 -1.178 -3.509 1.00 0.00 S ATOM 0 H CYS A 94 6.805 1.557 -4.417 1.00 0.00 H new ATOM 0 HA CYS A 94 4.440 0.368 -5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.774 0.155 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 94 4.318 1.052 -2.796 1.00 0.00 H new ATOM 0 HG CYS A 94 2.707 -1.006 -2.846 1.00 0.00 H new ATOM 430 N THR A 95 3.027 2.359 -5.838 1.00 0.00 N ATOM 431 CA THR A 95 2.111 3.485 -5.952 1.00 0.00 C ATOM 432 C THR A 95 0.695 2.966 -6.142 1.00 0.00 C ATOM 433 O THR A 95 0.460 2.098 -6.981 1.00 0.00 O ATOM 434 CB THR A 95 2.506 4.378 -7.129 1.00 0.00 C ATOM 435 OG1 THR A 95 3.913 4.530 -7.194 1.00 0.00 O ATOM 436 CG2 THR A 95 1.897 5.762 -7.062 1.00 0.00 C ATOM 0 H THR A 95 2.896 1.638 -6.547 1.00 0.00 H new ATOM 0 HA THR A 95 2.160 4.079 -5.039 1.00 0.00 H new ATOM 0 HB THR A 95 2.122 3.873 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.145 5.103 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.218 6.343 -7.927 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.810 5.682 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.224 6.260 -6.149 1.00 0.00 H new ATOM 444 N VAL A 96 -0.248 3.481 -5.360 1.00 0.00 N ATOM 445 CA VAL A 96 -1.624 3.024 -5.467 1.00 0.00 C ATOM 446 C VAL A 96 -2.154 3.244 -6.878 1.00 0.00 C ATOM 447 O VAL A 96 -2.443 4.368 -7.284 1.00 0.00 O ATOM 448 CB VAL A 96 -2.547 3.715 -4.438 1.00 0.00 C ATOM 449 CG1 VAL A 96 -2.366 5.219 -4.454 1.00 0.00 C ATOM 450 CG2 VAL A 96 -4.004 3.338 -4.673 1.00 0.00 C ATOM 0 H VAL A 96 -0.087 4.203 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.625 1.956 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.261 3.360 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.030 5.673 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.332 5.464 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.605 5.604 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.633 3.837 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.303 3.648 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.120 2.258 -4.577 1.00 0.00 H new ATOM 460 N ALA A 97 -2.272 2.149 -7.616 1.00 0.00 N ATOM 461 CA ALA A 97 -2.758 2.190 -8.984 1.00 0.00 C ATOM 462 C ALA A 97 -4.255 2.484 -9.025 1.00 0.00 C ATOM 463 O ALA A 97 -4.775 2.971 -10.029 1.00 0.00 O ATOM 464 CB ALA A 97 -2.448 0.872 -9.671 1.00 0.00 C ATOM 0 H ALA A 97 -2.035 1.214 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.251 2.996 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.813 0.902 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.370 0.707 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.938 0.059 -9.136 1.00 0.00 H new ATOM 470 N ARG A 98 -4.942 2.184 -7.927 1.00 0.00 N ATOM 471 CA ARG A 98 -6.377 2.418 -7.832 1.00 0.00 C ATOM 472 C ARG A 98 -6.874 2.136 -6.418 1.00 0.00 C ATOM 473 O ARG A 98 -6.367 1.241 -5.740 1.00 0.00 O ATOM 474 CB ARG A 98 -7.125 1.538 -8.837 1.00 0.00 C ATOM 475 CG ARG A 98 -7.655 2.303 -10.039 1.00 0.00 C ATOM 476 CD ARG A 98 -7.722 1.422 -11.276 1.00 0.00 C ATOM 477 NE ARG A 98 -7.789 2.208 -12.505 1.00 0.00 N ATOM 478 CZ ARG A 98 -7.948 1.678 -13.717 1.00 0.00 C ATOM 479 NH1 ARG A 98 -8.056 0.364 -13.865 1.00 0.00 N ATOM 480 NH2 ARG A 98 -7.999 2.466 -14.782 1.00 0.00 N ATOM 0 H ARG A 98 -4.526 1.777 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.571 3.465 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.457 0.749 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.958 1.050 -8.331 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.648 2.693 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.013 3.161 -10.237 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.846 0.774 -11.307 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.596 0.774 -11.212 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.709 3.222 -12.431 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.017 -0.246 -13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.178 -0.036 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.917 3.477 -14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.121 2.061 -15.710 1.00 0.00 H new ATOM 494 N ILE A 99 -7.868 2.899 -5.977 1.00 0.00 N ATOM 495 CA ILE A 99 -8.428 2.720 -4.644 1.00 0.00 C ATOM 496 C ILE A 99 -9.516 1.650 -4.657 1.00 0.00 C ATOM 497 O ILE A 99 -10.363 1.624 -5.550 1.00 0.00 O ATOM 498 CB ILE A 99 -9.022 4.033 -4.095 1.00 0.00 C ATOM 499 CG1 ILE A 99 -7.989 5.157 -4.165 1.00 0.00 C ATOM 500 CG2 ILE A 99 -9.504 3.841 -2.663 1.00 0.00 C ATOM 501 CD1 ILE A 99 -8.524 6.496 -3.706 1.00 0.00 C ATOM 0 H ILE A 99 -8.301 3.645 -6.522 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.611 2.407 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.876 4.311 -4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.129 4.888 -3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.633 5.249 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.920 4.777 -2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.271 3.067 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.666 3.541 -2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.738 7.247 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -9.366 6.786 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.854 6.420 -2.670 1.00 0.00 H new ATOM 513 N LEU A 100 -9.487 0.766 -3.665 1.00 0.00 N ATOM 514 CA LEU A 100 -10.472 -0.306 -3.571 1.00 0.00 C ATOM 515 C LEU A 100 -11.731 0.169 -2.853 1.00 0.00 C ATOM 516 O LEU A 100 -11.669 0.641 -1.717 1.00 0.00 O ATOM 517 CB LEU A 100 -9.876 -1.511 -2.840 1.00 0.00 C ATOM 518 CG LEU A 100 -8.941 -2.382 -3.681 1.00 0.00 C ATOM 519 CD1 LEU A 100 -9.703 -3.039 -4.820 1.00 0.00 C ATOM 520 CD2 LEU A 100 -7.782 -1.555 -4.219 1.00 0.00 C ATOM 0 H LEU A 100 -8.794 0.770 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.746 -0.602 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.328 -1.153 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.692 -2.132 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.536 -3.167 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.021 -3.654 -5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.497 -3.665 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.138 -2.270 -5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.127 -2.191 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.169 -0.748 -4.841 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.219 -1.133 -3.387 1.00 0.00 H new ATOM 532 N HIS A 101 -12.872 0.040 -3.521 1.00 0.00 N ATOM 533 CA HIS A 101 -14.147 0.453 -2.947 1.00 0.00 C ATOM 534 C HIS A 101 -14.560 -0.478 -1.812 1.00 0.00 C ATOM 535 O HIS A 101 -14.522 -1.700 -1.955 1.00 0.00 O ATOM 536 CB HIS A 101 -15.232 0.477 -4.024 1.00 0.00 C ATOM 537 CG HIS A 101 -14.964 1.458 -5.122 1.00 0.00 C ATOM 538 ND1 HIS A 101 -15.694 2.616 -5.292 1.00 0.00 N ATOM 539 CD2 HIS A 101 -14.038 1.450 -6.111 1.00 0.00 C ATOM 540 CE1 HIS A 101 -15.228 3.277 -6.338 1.00 0.00 C ATOM 541 NE2 HIS A 101 -14.224 2.592 -6.851 1.00 0.00 N ATOM 0 H HIS A 101 -12.940 -0.348 -4.462 1.00 0.00 H new ATOM 0 HA HIS A 101 -14.026 1.458 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -15.328 -0.520 -4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -16.188 0.717 -3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -13.293 0.688 -6.285 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.605 4.218 -6.710 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.675 2.866 -7.666 1.00 0.00 H new ATOM 550 N GLY A 102 -14.955 0.106 -0.687 1.00 0.00 N ATOM 551 CA GLY A 102 -15.371 -0.688 0.455 1.00 0.00 C ATOM 552 C GLY A 102 -14.246 -0.915 1.446 1.00 0.00 C ATOM 553 O GLY A 102 -14.491 -1.152 2.629 1.00 0.00 O ATOM 0 H GLY A 102 -14.995 1.115 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.199 -0.189 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.744 -1.651 0.107 1.00 0.00 H new ATOM 557 N GLY A 103 -13.009 -0.842 0.965 1.00 0.00 N ATOM 558 CA GLY A 103 -11.862 -1.043 1.831 1.00 0.00 C ATOM 559 C GLY A 103 -11.836 -0.076 2.999 1.00 0.00 C ATOM 560 O GLY A 103 -12.744 0.741 3.157 1.00 0.00 O ATOM 0 H GLY A 103 -12.781 -0.647 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.873 -2.065 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.948 -0.928 1.249 1.00 0.00 H new ATOM 564 N MET A 104 -10.795 -0.168 3.818 1.00 0.00 N ATOM 565 CA MET A 104 -10.654 0.704 4.978 1.00 0.00 C ATOM 566 C MET A 104 -10.014 2.034 4.590 1.00 0.00 C ATOM 567 O MET A 104 -10.243 3.055 5.239 1.00 0.00 O ATOM 568 CB MET A 104 -9.814 0.017 6.057 1.00 0.00 C ATOM 569 CG MET A 104 -9.777 0.774 7.375 1.00 0.00 C ATOM 570 SD MET A 104 -8.665 0.022 8.578 1.00 0.00 S ATOM 571 CE MET A 104 -7.178 -0.162 7.596 1.00 0.00 C ATOM 0 H MET A 104 -10.035 -0.838 3.700 1.00 0.00 H new ATOM 0 HA MET A 104 -11.650 0.905 5.372 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.211 -0.983 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 104 -8.795 -0.105 5.689 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.465 1.802 7.190 1.00 0.00 H new ATOM 0 HG3 MET A 104 -10.783 0.817 7.793 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.331 -0.360 8.252 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.301 -0.993 6.902 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.996 0.755 7.035 1.00 0.00 H new ATOM 581 N ILE A 105 -9.212 2.017 3.530 1.00 0.00 N ATOM 582 CA ILE A 105 -8.542 3.223 3.061 1.00 0.00 C ATOM 583 C ILE A 105 -9.497 4.109 2.268 1.00 0.00 C ATOM 584 O ILE A 105 -9.409 5.336 2.319 1.00 0.00 O ATOM 585 CB ILE A 105 -7.325 2.884 2.180 1.00 0.00 C ATOM 586 CG1 ILE A 105 -6.459 1.818 2.854 1.00 0.00 C ATOM 587 CG2 ILE A 105 -6.509 4.138 1.901 1.00 0.00 C ATOM 588 CD1 ILE A 105 -5.896 2.251 4.189 1.00 0.00 C ATOM 0 H ILE A 105 -9.011 1.182 2.980 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.202 3.760 3.947 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.682 2.486 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -7.053 0.915 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.636 1.557 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.652 3.883 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.130 4.869 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.159 4.562 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.293 1.446 4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.275 3.136 4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.714 2.484 4.871 1.00 0.00 H new ATOM 600 N HIS A 106 -10.408 3.480 1.534 1.00 0.00 N ATOM 601 CA HIS A 106 -11.380 4.212 0.730 1.00 0.00 C ATOM 602 C HIS A 106 -12.435 4.868 1.615 1.00 0.00 C ATOM 603 O HIS A 106 -12.773 6.037 1.432 1.00 0.00 O ATOM 604 CB HIS A 106 -12.052 3.275 -0.275 1.00 0.00 C ATOM 605 CG HIS A 106 -12.662 3.988 -1.442 1.00 0.00 C ATOM 606 ND1 HIS A 106 -12.682 3.462 -2.718 1.00 0.00 N ATOM 607 CD2 HIS A 106 -13.278 5.192 -1.523 1.00 0.00 C ATOM 608 CE1 HIS A 106 -13.282 4.313 -3.531 1.00 0.00 C ATOM 609 NE2 HIS A 106 -13.653 5.368 -2.832 1.00 0.00 N ATOM 0 H HIS A 106 -10.494 2.465 1.479 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.849 4.994 0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.316 2.560 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -12.826 2.702 0.236 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.443 5.884 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -13.442 4.169 -4.589 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.140 6.183 -3.204 1.00 0.00 H new ATOM 618 N ARG A 107 -12.950 4.108 2.577 1.00 0.00 N ATOM 619 CA ARG A 107 -13.965 4.617 3.491 1.00 0.00 C ATOM 620 C ARG A 107 -13.361 5.612 4.475 1.00 0.00 C ATOM 621 O ARG A 107 -13.914 6.688 4.702 1.00 0.00 O ATOM 622 CB ARG A 107 -14.619 3.461 4.252 1.00 0.00 C ATOM 623 CG ARG A 107 -15.883 3.861 4.996 1.00 0.00 C ATOM 624 CD ARG A 107 -16.094 3.007 6.235 1.00 0.00 C ATOM 625 NE ARG A 107 -15.090 3.275 7.262 1.00 0.00 N ATOM 626 CZ ARG A 107 -14.821 2.447 8.269 1.00 0.00 C ATOM 627 NH1 ARG A 107 -15.476 1.299 8.389 1.00 0.00 N ATOM 628 NH2 ARG A 107 -13.891 2.768 9.159 1.00 0.00 N ATOM 0 H ARG A 107 -12.681 3.138 2.743 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.724 5.132 2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.858 2.663 3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.901 3.054 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.821 4.911 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.743 3.762 4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.088 3.197 6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.058 1.953 5.959 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.565 4.147 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.191 1.046 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.264 0.670 9.163 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.383 3.648 9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.684 2.135 9.931 1.00 0.00 H new ATOM 642 N GLN A 108 -12.222 5.247 5.056 1.00 0.00 N ATOM 643 CA GLN A 108 -11.542 6.107 6.016 1.00 0.00 C ATOM 644 C GLN A 108 -10.831 7.256 5.307 1.00 0.00 C ATOM 645 O GLN A 108 -10.940 8.412 5.714 1.00 0.00 O ATOM 646 CB GLN A 108 -10.536 5.297 6.836 1.00 0.00 C ATOM 647 CG GLN A 108 -9.975 6.056 8.028 1.00 0.00 C ATOM 648 CD GLN A 108 -10.125 5.293 9.330 1.00 0.00 C ATOM 649 OE1 GLN A 108 -10.838 5.724 10.237 1.00 0.00 O ATOM 650 NE2 GLN A 108 -9.453 4.152 9.429 1.00 0.00 N ATOM 0 H GLN A 108 -11.751 4.360 4.878 1.00 0.00 H new ATOM 0 HA GLN A 108 -12.292 6.526 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -11.018 4.385 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.713 4.992 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.920 6.268 7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.483 7.017 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -8.874 3.832 8.653 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.516 3.595 10.281 1.00 0.00 H new ATOM 659 N GLY A 109 -10.103 6.928 4.245 1.00 0.00 N ATOM 660 CA GLY A 109 -9.384 7.943 3.496 1.00 0.00 C ATOM 661 C GLY A 109 -7.969 8.142 4.002 1.00 0.00 C ATOM 662 O GLY A 109 -7.678 9.126 4.681 1.00 0.00 O ATOM 0 H GLY A 109 -9.998 5.978 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.354 7.661 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.925 8.887 3.558 1.00 0.00 H new ATOM 666 N SER A 110 -7.087 7.204 3.673 1.00 0.00 N ATOM 667 CA SER A 110 -5.695 7.280 4.099 1.00 0.00 C ATOM 668 C SER A 110 -4.771 7.534 2.913 1.00 0.00 C ATOM 669 O SER A 110 -3.714 8.148 3.058 1.00 0.00 O ATOM 670 CB SER A 110 -5.287 5.987 4.810 1.00 0.00 C ATOM 671 OG SER A 110 -6.386 5.413 5.495 1.00 0.00 O ATOM 0 H SER A 110 -7.312 6.382 3.112 1.00 0.00 H new ATOM 0 HA SER A 110 -5.601 8.116 4.792 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.897 5.276 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.483 6.195 5.516 1.00 0.00 H new ATOM 0 HG SER A 110 -6.100 4.588 5.939 1.00 0.00 H new ATOM 677 N LEU A 111 -5.173 7.057 1.740 1.00 0.00 N ATOM 678 CA LEU A 111 -4.377 7.234 0.530 1.00 0.00 C ATOM 679 C LEU A 111 -5.258 7.620 -0.653 1.00 0.00 C ATOM 680 O LEU A 111 -6.485 7.616 -0.556 1.00 0.00 O ATOM 681 CB LEU A 111 -3.607 5.950 0.209 1.00 0.00 C ATOM 682 CG LEU A 111 -2.339 5.731 1.037 1.00 0.00 C ATOM 683 CD1 LEU A 111 -2.616 4.791 2.200 1.00 0.00 C ATOM 684 CD2 LEU A 111 -1.218 5.186 0.163 1.00 0.00 C ATOM 0 H LEU A 111 -6.044 6.545 1.601 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.668 8.042 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.272 5.099 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.336 5.961 -0.847 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.022 6.692 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.703 4.647 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.386 5.221 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.958 3.830 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.324 5.037 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.525 4.235 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.001 5.896 -0.635 1.00 0.00 H new ATOM 696 N HIS A 112 -4.620 7.955 -1.771 1.00 0.00 N ATOM 697 CA HIS A 112 -5.341 8.345 -2.977 1.00 0.00 C ATOM 698 C HIS A 112 -4.684 7.747 -4.216 1.00 0.00 C ATOM 699 O HIS A 112 -3.462 7.784 -4.359 1.00 0.00 O ATOM 700 CB HIS A 112 -5.389 9.870 -3.098 1.00 0.00 C ATOM 701 CG HIS A 112 -6.454 10.503 -2.257 1.00 0.00 C ATOM 702 ND1 HIS A 112 -6.458 11.842 -1.929 1.00 0.00 N ATOM 703 CD2 HIS A 112 -7.557 9.973 -1.676 1.00 0.00 C ATOM 704 CE1 HIS A 112 -7.515 12.108 -1.182 1.00 0.00 C ATOM 705 NE2 HIS A 112 -8.198 10.991 -1.014 1.00 0.00 N ATOM 0 H HIS A 112 -3.604 7.964 -1.866 1.00 0.00 H new ATOM 0 HA HIS A 112 -6.359 7.962 -2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -4.420 10.280 -2.812 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -5.554 10.139 -4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.873 8.942 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -7.776 13.075 -0.778 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.062 10.899 -0.479 1.00 0.00 H new ATOM 714 N VAL A 113 -5.506 7.196 -5.110 1.00 0.00 N ATOM 715 CA VAL A 113 -5.016 6.583 -6.344 1.00 0.00 C ATOM 716 C VAL A 113 -3.916 7.421 -6.993 1.00 0.00 C ATOM 717 O VAL A 113 -4.166 8.529 -7.470 1.00 0.00 O ATOM 718 CB VAL A 113 -6.156 6.383 -7.356 1.00 0.00 C ATOM 719 CG1 VAL A 113 -6.806 7.713 -7.669 1.00 0.00 C ATOM 720 CG2 VAL A 113 -5.648 5.713 -8.625 1.00 0.00 C ATOM 0 H VAL A 113 -6.520 7.162 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.603 5.613 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.903 5.724 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.613 7.564 -8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.210 8.145 -6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.064 8.390 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.474 5.583 -9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.880 6.336 -9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.225 4.739 -8.378 1.00 0.00 H new ATOM 730 N GLY A 114 -2.702 6.882 -7.014 1.00 0.00 N ATOM 731 CA GLY A 114 -1.588 7.594 -7.614 1.00 0.00 C ATOM 732 C GLY A 114 -0.555 8.041 -6.598 1.00 0.00 C ATOM 733 O GLY A 114 0.610 8.246 -6.940 1.00 0.00 O ATOM 0 H GLY A 114 -2.469 5.967 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.109 6.952 -8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -1.966 8.466 -8.147 1.00 0.00 H new ATOM 737 N ASP A 115 -0.976 8.196 -5.345 1.00 0.00 N ATOM 738 CA ASP A 115 -0.071 8.624 -4.281 1.00 0.00 C ATOM 739 C ASP A 115 1.212 7.796 -4.293 1.00 0.00 C ATOM 740 O ASP A 115 1.184 6.597 -4.569 1.00 0.00 O ATOM 741 CB ASP A 115 -0.758 8.512 -2.920 1.00 0.00 C ATOM 742 CG ASP A 115 -1.948 9.444 -2.793 1.00 0.00 C ATOM 743 OD1 ASP A 115 -2.398 9.977 -3.829 1.00 0.00 O ATOM 744 OD2 ASP A 115 -2.429 9.641 -1.657 1.00 0.00 O ATOM 0 H ASP A 115 -1.936 8.032 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 115 0.192 9.667 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.087 7.484 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.038 8.738 -2.133 1.00 0.00 H new ATOM 749 N GLU A 116 2.335 8.446 -4.004 1.00 0.00 N ATOM 750 CA GLU A 116 3.627 7.767 -3.997 1.00 0.00 C ATOM 751 C GLU A 116 3.973 7.228 -2.613 1.00 0.00 C ATOM 752 O GLU A 116 4.180 7.994 -1.671 1.00 0.00 O ATOM 753 CB GLU A 116 4.726 8.720 -4.471 1.00 0.00 C ATOM 754 CG GLU A 116 4.736 8.940 -5.974 1.00 0.00 C ATOM 755 CD GLU A 116 3.444 9.552 -6.482 1.00 0.00 C ATOM 756 OE1 GLU A 116 2.817 10.324 -5.729 1.00 0.00 O ATOM 757 OE2 GLU A 116 3.061 9.256 -7.633 1.00 0.00 O ATOM 0 H GLU A 116 2.377 9.438 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 116 3.558 6.920 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 116 4.601 9.681 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 116 5.694 8.325 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 116 5.570 9.591 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.905 7.987 -6.476 1.00 0.00 H new ATOM 764 N ILE A 117 4.047 5.903 -2.500 1.00 0.00 N ATOM 765 CA ILE A 117 4.382 5.261 -1.235 1.00 0.00 C ATOM 766 C ILE A 117 5.884 5.011 -1.143 1.00 0.00 C ATOM 767 O ILE A 117 6.422 4.141 -1.829 1.00 0.00 O ATOM 768 CB ILE A 117 3.632 3.923 -1.060 1.00 0.00 C ATOM 769 CG1 ILE A 117 2.122 4.142 -1.176 1.00 0.00 C ATOM 770 CG2 ILE A 117 3.978 3.282 0.279 1.00 0.00 C ATOM 771 CD1 ILE A 117 1.623 4.176 -2.604 1.00 0.00 C ATOM 0 H ILE A 117 3.879 5.255 -3.270 1.00 0.00 H new ATOM 0 HA ILE A 117 4.073 5.938 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 117 3.947 3.245 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 117 1.606 3.347 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 117 1.861 5.080 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.439 2.340 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.050 3.093 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.693 3.954 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.545 4.335 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 117 2.112 4.989 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 117 1.853 3.229 -3.092 1.00 0.00 H new ATOM 783 N LEU A 118 6.555 5.785 -0.298 1.00 0.00 N ATOM 784 CA LEU A 118 7.996 5.656 -0.118 1.00 0.00 C ATOM 785 C LEU A 118 8.358 4.360 0.601 1.00 0.00 C ATOM 786 O LEU A 118 9.449 3.825 0.413 1.00 0.00 O ATOM 787 CB LEU A 118 8.540 6.854 0.662 1.00 0.00 C ATOM 788 CG LEU A 118 8.893 8.077 -0.188 1.00 0.00 C ATOM 789 CD1 LEU A 118 10.104 7.788 -1.062 1.00 0.00 C ATOM 790 CD2 LEU A 118 7.704 8.492 -1.041 1.00 0.00 C ATOM 0 H LEU A 118 6.123 6.510 0.275 1.00 0.00 H new ATOM 0 HA LEU A 118 8.452 5.630 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.800 7.149 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 118 9.431 6.539 1.206 1.00 0.00 H new ATOM 0 HG LEU A 118 9.142 8.902 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 118 10.340 8.669 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 118 10.957 7.538 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 118 9.884 6.950 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.972 9.363 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.425 7.670 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.862 8.740 -0.395 1.00 0.00 H new ATOM 802 N GLU A 119 7.444 3.860 1.431 1.00 0.00 N ATOM 803 CA GLU A 119 7.694 2.628 2.172 1.00 0.00 C ATOM 804 C GLU A 119 6.390 1.931 2.547 1.00 0.00 C ATOM 805 O GLU A 119 5.322 2.543 2.553 1.00 0.00 O ATOM 806 CB GLU A 119 8.506 2.926 3.434 1.00 0.00 C ATOM 807 CG GLU A 119 9.634 1.938 3.678 1.00 0.00 C ATOM 808 CD GLU A 119 10.728 2.509 4.559 1.00 0.00 C ATOM 809 OE1 GLU A 119 10.459 2.757 5.753 1.00 0.00 O ATOM 810 OE2 GLU A 119 11.854 2.706 4.054 1.00 0.00 O ATOM 0 H GLU A 119 6.533 4.285 1.605 1.00 0.00 H new ATOM 0 HA GLU A 119 8.263 1.960 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.923 3.930 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 119 7.838 2.922 4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.230 1.039 4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.062 1.638 2.722 1.00 0.00 H new ATOM 817 N ILE A 120 6.491 0.643 2.863 1.00 0.00 N ATOM 818 CA ILE A 120 5.330 -0.150 3.246 1.00 0.00 C ATOM 819 C ILE A 120 5.685 -1.130 4.359 1.00 0.00 C ATOM 820 O ILE A 120 6.241 -2.198 4.104 1.00 0.00 O ATOM 821 CB ILE A 120 4.760 -0.937 2.049 1.00 0.00 C ATOM 822 CG1 ILE A 120 4.569 -0.010 0.847 1.00 0.00 C ATOM 823 CG2 ILE A 120 3.447 -1.604 2.427 1.00 0.00 C ATOM 824 CD1 ILE A 120 4.021 -0.712 -0.376 1.00 0.00 C ATOM 0 H ILE A 120 7.370 0.125 2.861 1.00 0.00 H new ATOM 0 HA ILE A 120 4.573 0.549 3.601 1.00 0.00 H new ATOM 0 HB ILE A 120 5.471 -1.716 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.893 0.798 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 120 5.526 0.447 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 120 3.059 -2.155 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.614 -2.292 3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 120 2.726 -0.844 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 120 3.911 0.006 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 120 4.707 -1.502 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.049 -1.146 -0.141 1.00 0.00 H new ATOM 836 N ASN A 121 5.362 -0.759 5.594 1.00 0.00 N ATOM 837 CA ASN A 121 5.651 -1.604 6.746 1.00 0.00 C ATOM 838 C ASN A 121 7.153 -1.807 6.913 1.00 0.00 C ATOM 839 O ASN A 121 7.598 -2.827 7.439 1.00 0.00 O ATOM 840 CB ASN A 121 4.954 -2.960 6.601 1.00 0.00 C ATOM 841 CG ASN A 121 4.764 -3.657 7.934 1.00 0.00 C ATOM 842 OD1 ASN A 121 5.729 -3.942 8.642 1.00 0.00 O ATOM 843 ND2 ASN A 121 3.513 -3.935 8.283 1.00 0.00 N ATOM 0 H ASN A 121 4.900 0.121 5.822 1.00 0.00 H new ATOM 0 HA ASN A 121 5.271 -1.101 7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 121 3.983 -2.818 6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 121 5.541 -3.598 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.323 -4.403 9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.743 -3.680 7.665 1.00 0.00 H new ATOM 850 N GLY A 122 7.933 -0.828 6.463 1.00 0.00 N ATOM 851 CA GLY A 122 9.378 -0.919 6.576 1.00 0.00 C ATOM 852 C GLY A 122 10.053 -1.170 5.242 1.00 0.00 C ATOM 853 O GLY A 122 11.223 -0.831 5.058 1.00 0.00 O ATOM 0 H GLY A 122 7.590 0.026 6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.764 0.005 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 122 9.635 -1.723 7.266 1.00 0.00 H new ATOM 857 N THR A 123 9.319 -1.767 4.308 1.00 0.00 N ATOM 858 CA THR A 123 9.860 -2.064 2.985 1.00 0.00 C ATOM 859 C THR A 123 9.053 -1.366 1.896 1.00 0.00 C ATOM 860 O THR A 123 7.822 -1.349 1.936 1.00 0.00 O ATOM 861 CB THR A 123 9.867 -3.574 2.740 1.00 0.00 C ATOM 862 OG1 THR A 123 10.241 -4.271 3.916 1.00 0.00 O ATOM 863 CG2 THR A 123 10.811 -3.997 1.635 1.00 0.00 C ATOM 0 H THR A 123 8.350 -2.054 4.442 1.00 0.00 H new ATOM 0 HA THR A 123 10.884 -1.691 2.949 1.00 0.00 H new ATOM 0 HB THR A 123 8.849 -3.823 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 123 10.238 -5.235 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 123 10.767 -5.079 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 123 10.519 -3.515 0.702 1.00 0.00 H new ATOM 0 HG23 THR A 123 11.828 -3.702 1.893 1.00 0.00 H new ATOM 871 N ASN A 124 9.753 -0.794 0.921 1.00 0.00 N ATOM 872 CA ASN A 124 9.101 -0.096 -0.181 1.00 0.00 C ATOM 873 C ASN A 124 8.898 -1.021 -1.377 1.00 0.00 C ATOM 874 O ASN A 124 8.737 -0.561 -2.507 1.00 0.00 O ATOM 875 CB ASN A 124 9.928 1.121 -0.600 1.00 0.00 C ATOM 876 CG ASN A 124 9.207 1.988 -1.612 1.00 0.00 C ATOM 877 OD1 ASN A 124 8.021 2.281 -1.466 1.00 0.00 O ATOM 878 ND2 ASN A 124 9.924 2.402 -2.652 1.00 0.00 N ATOM 0 H ASN A 124 10.772 -0.800 0.872 1.00 0.00 H new ATOM 0 HA ASN A 124 8.122 0.236 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.165 1.717 0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.875 0.785 -1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.493 2.986 -3.368 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.905 2.135 -2.734 1.00 0.00 H new ATOM 885 N VAL A 125 8.906 -2.325 -1.120 1.00 0.00 N ATOM 886 CA VAL A 125 8.721 -3.314 -2.173 1.00 0.00 C ATOM 887 C VAL A 125 9.787 -3.176 -3.255 1.00 0.00 C ATOM 888 O VAL A 125 10.383 -2.113 -3.424 1.00 0.00 O ATOM 889 CB VAL A 125 7.330 -3.192 -2.822 1.00 0.00 C ATOM 890 CG1 VAL A 125 7.120 -4.293 -3.851 1.00 0.00 C ATOM 891 CG2 VAL A 125 6.241 -3.230 -1.760 1.00 0.00 C ATOM 0 H VAL A 125 9.039 -2.721 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 125 8.810 -4.293 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 125 7.272 -2.232 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 125 6.131 -4.189 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 125 7.880 -4.214 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 125 7.198 -5.265 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 125 5.265 -3.143 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.296 -4.173 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 125 6.381 -2.402 -1.065 1.00 0.00 H new ATOM 901 N THR A 126 10.021 -4.260 -3.986 1.00 0.00 N ATOM 902 CA THR A 126 11.012 -4.259 -5.053 1.00 0.00 C ATOM 903 C THR A 126 10.486 -4.994 -6.280 1.00 0.00 C ATOM 904 O THR A 126 9.419 -5.604 -6.241 1.00 0.00 O ATOM 905 CB THR A 126 12.309 -4.907 -4.573 1.00 0.00 C ATOM 906 OG1 THR A 126 12.038 -6.065 -3.802 1.00 0.00 O ATOM 907 CG2 THR A 126 13.155 -3.981 -3.729 1.00 0.00 C ATOM 0 H THR A 126 9.538 -5.149 -3.859 1.00 0.00 H new ATOM 0 HA THR A 126 11.213 -3.224 -5.329 1.00 0.00 H new ATOM 0 HB THR A 126 12.861 -5.159 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 126 12.882 -6.466 -3.506 1.00 0.00 H new ATOM 0 HG21 THR A 126 14.062 -4.499 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 126 13.422 -3.099 -4.312 1.00 0.00 H new ATOM 0 HG23 THR A 126 12.592 -3.676 -2.847 1.00 0.00 H new ATOM 915 N ASN A 127 11.245 -4.932 -7.368 1.00 0.00 N ATOM 916 CA ASN A 127 10.854 -5.594 -8.605 1.00 0.00 C ATOM 917 C ASN A 127 10.703 -7.098 -8.391 1.00 0.00 C ATOM 918 O ASN A 127 9.956 -7.764 -9.108 1.00 0.00 O ATOM 919 CB ASN A 127 11.883 -5.318 -9.702 1.00 0.00 C ATOM 920 CG ASN A 127 13.235 -5.938 -9.404 1.00 0.00 C ATOM 921 OD1 ASN A 127 13.338 -7.141 -9.161 1.00 0.00 O ATOM 922 ND2 ASN A 127 14.280 -5.119 -9.421 1.00 0.00 N ATOM 0 H ASN A 127 12.132 -4.431 -7.418 1.00 0.00 H new ATOM 0 HA ASN A 127 9.889 -5.193 -8.917 1.00 0.00 H new ATOM 0 HB2 ASN A 127 11.511 -5.706 -10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 127 12.000 -4.241 -9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 127 15.214 -5.480 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 127 14.149 -4.129 -9.627 1.00 0.00 H new ATOM 929 N HIS A 128 11.411 -7.625 -7.395 1.00 0.00 N ATOM 930 CA HIS A 128 11.348 -9.048 -7.082 1.00 0.00 C ATOM 931 C HIS A 128 9.917 -9.457 -6.740 1.00 0.00 C ATOM 932 O HIS A 128 8.970 -8.732 -7.044 1.00 0.00 O ATOM 933 CB HIS A 128 12.284 -9.376 -5.916 1.00 0.00 C ATOM 934 CG HIS A 128 13.053 -10.647 -6.105 1.00 0.00 C ATOM 935 ND1 HIS A 128 12.603 -11.690 -6.887 1.00 0.00 N ATOM 936 CD2 HIS A 128 14.250 -11.040 -5.608 1.00 0.00 C ATOM 937 CE1 HIS A 128 13.490 -12.670 -6.862 1.00 0.00 C ATOM 938 NE2 HIS A 128 14.497 -12.300 -6.094 1.00 0.00 N ATOM 0 H HIS A 128 12.034 -7.088 -6.792 1.00 0.00 H new ATOM 0 HA HIS A 128 11.669 -9.610 -7.959 1.00 0.00 H new ATOM 0 HB2 HIS A 128 12.986 -8.553 -5.782 1.00 0.00 H new ATOM 0 HB3 HIS A 128 11.698 -9.448 -5.000 1.00 0.00 H new ATOM 0 HD2 HIS A 128 14.890 -10.469 -4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 128 13.405 -13.613 -7.382 1.00 0.00 H new ATOM 0 HE2 HIS A 128 15.326 -12.860 -5.894 1.00 0.00 H new ATOM 947 N SER A 129 9.761 -10.615 -6.108 1.00 0.00 N ATOM 948 CA SER A 129 8.437 -11.095 -5.737 1.00 0.00 C ATOM 949 C SER A 129 7.822 -10.205 -4.661 1.00 0.00 C ATOM 950 O SER A 129 8.477 -9.853 -3.681 1.00 0.00 O ATOM 951 CB SER A 129 8.516 -12.539 -5.237 1.00 0.00 C ATOM 952 OG SER A 129 9.290 -13.340 -6.112 1.00 0.00 O ATOM 0 H SER A 129 10.528 -11.233 -5.844 1.00 0.00 H new ATOM 0 HA SER A 129 7.802 -11.060 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 129 8.954 -12.558 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 129 7.511 -12.953 -5.153 1.00 0.00 H new ATOM 0 HG SER A 129 9.327 -14.257 -5.769 1.00 0.00 H new ATOM 958 N VAL A 130 6.556 -9.849 -4.854 1.00 0.00 N ATOM 959 CA VAL A 130 5.840 -9.003 -3.903 1.00 0.00 C ATOM 960 C VAL A 130 5.156 -9.837 -2.830 1.00 0.00 C ATOM 961 O VAL A 130 4.756 -9.317 -1.789 1.00 0.00 O ATOM 962 CB VAL A 130 4.781 -8.126 -4.597 1.00 0.00 C ATOM 963 CG1 VAL A 130 4.656 -6.782 -3.895 1.00 0.00 C ATOM 964 CG2 VAL A 130 5.122 -7.938 -6.063 1.00 0.00 C ATOM 0 H VAL A 130 6.003 -10.134 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 130 6.589 -8.357 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 130 3.819 -8.634 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 130 3.903 -6.177 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 130 4.360 -6.939 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 130 5.616 -6.266 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 130 4.362 -7.316 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 130 6.094 -7.454 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 130 5.154 -8.909 -6.556 1.00 0.00 H new ATOM 974 N ASP A 131 5.018 -11.135 -3.092 1.00 0.00 N ATOM 975 CA ASP A 131 4.374 -12.049 -2.155 1.00 0.00 C ATOM 976 C ASP A 131 4.848 -11.806 -0.723 1.00 0.00 C ATOM 977 O ASP A 131 4.130 -12.094 0.235 1.00 0.00 O ATOM 978 CB ASP A 131 4.647 -13.497 -2.561 1.00 0.00 C ATOM 979 CG ASP A 131 6.116 -13.860 -2.465 1.00 0.00 C ATOM 980 OD1 ASP A 131 6.680 -13.768 -1.355 1.00 0.00 O ATOM 981 OD2 ASP A 131 6.703 -14.238 -3.501 1.00 0.00 O ATOM 0 H ASP A 131 5.346 -11.578 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 131 3.301 -11.862 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 131 4.069 -14.165 -1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.303 -13.655 -3.583 1.00 0.00 H new ATOM 986 N GLN A 132 6.057 -11.267 -0.583 1.00 0.00 N ATOM 987 CA GLN A 132 6.613 -10.982 0.734 1.00 0.00 C ATOM 988 C GLN A 132 5.749 -9.961 1.470 1.00 0.00 C ATOM 989 O GLN A 132 5.230 -10.237 2.551 1.00 0.00 O ATOM 990 CB GLN A 132 8.047 -10.463 0.606 1.00 0.00 C ATOM 991 CG GLN A 132 9.100 -11.557 0.698 1.00 0.00 C ATOM 992 CD GLN A 132 9.934 -11.672 -0.563 1.00 0.00 C ATOM 993 OE1 GLN A 132 9.402 -11.704 -1.672 1.00 0.00 O ATOM 994 NE2 GLN A 132 11.250 -11.737 -0.397 1.00 0.00 N ATOM 0 H GLN A 132 6.667 -11.020 -1.363 1.00 0.00 H new ATOM 0 HA GLN A 132 6.625 -11.908 1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 132 8.154 -9.946 -0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 132 8.230 -9.727 1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 132 9.755 -11.355 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 132 8.611 -12.511 0.894 1.00 0.00 H new ATOM 0 HE21 GLN A 132 11.648 -11.707 0.542 1.00 0.00 H new ATOM 0 HE22 GLN A 132 11.863 -11.817 -1.208 1.00 0.00 H new ATOM 1003 N LEU A 133 5.592 -8.784 0.871 1.00 0.00 N ATOM 1004 CA LEU A 133 4.783 -7.726 1.465 1.00 0.00 C ATOM 1005 C LEU A 133 3.299 -8.048 1.319 1.00 0.00 C ATOM 1006 O LEU A 133 2.506 -7.808 2.230 1.00 0.00 O ATOM 1007 CB LEU A 133 5.092 -6.380 0.805 1.00 0.00 C ATOM 1008 CG LEU A 133 6.463 -5.788 1.142 1.00 0.00 C ATOM 1009 CD1 LEU A 133 6.527 -5.389 2.609 1.00 0.00 C ATOM 1010 CD2 LEU A 133 7.568 -6.778 0.808 1.00 0.00 C ATOM 0 H LEU A 133 6.014 -8.540 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 133 5.028 -7.661 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.021 -6.499 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 133 4.323 -5.665 1.098 1.00 0.00 H new ATOM 0 HG LEU A 133 6.609 -4.893 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.509 -4.970 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.760 -4.644 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 133 6.358 -6.267 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.535 -6.340 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.425 -7.691 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.536 -7.013 -0.256 1.00 0.00 H new ATOM 1022 N GLN A 134 2.936 -8.600 0.166 1.00 0.00 N ATOM 1023 CA GLN A 134 1.552 -8.969 -0.109 1.00 0.00 C ATOM 1024 C GLN A 134 1.035 -9.949 0.938 1.00 0.00 C ATOM 1025 O GLN A 134 -0.024 -9.742 1.532 1.00 0.00 O ATOM 1026 CB GLN A 134 1.439 -9.590 -1.504 1.00 0.00 C ATOM 1027 CG GLN A 134 0.035 -9.549 -2.084 1.00 0.00 C ATOM 1028 CD GLN A 134 -0.967 -10.321 -1.248 1.00 0.00 C ATOM 1029 OE1 GLN A 134 -0.648 -11.371 -0.690 1.00 0.00 O ATOM 1030 NE2 GLN A 134 -2.187 -9.805 -1.158 1.00 0.00 N ATOM 0 H GLN A 134 3.584 -8.802 -0.596 1.00 0.00 H new ATOM 0 HA GLN A 134 0.943 -8.066 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 134 2.116 -9.067 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 134 1.772 -10.627 -1.458 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -0.289 -8.512 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 134 0.052 -9.959 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -2.408 -8.932 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -2.903 -10.282 -0.610 1.00 0.00 H new ATOM 1039 N LYS A 135 1.793 -11.018 1.162 1.00 0.00 N ATOM 1040 CA LYS A 135 1.419 -12.032 2.139 1.00 0.00 C ATOM 1041 C LYS A 135 1.404 -11.449 3.547 1.00 0.00 C ATOM 1042 O LYS A 135 0.554 -11.797 4.367 1.00 0.00 O ATOM 1043 CB LYS A 135 2.388 -13.214 2.072 1.00 0.00 C ATOM 1044 CG LYS A 135 1.891 -14.452 2.801 1.00 0.00 C ATOM 1045 CD LYS A 135 0.527 -14.890 2.291 1.00 0.00 C ATOM 1046 CE LYS A 135 0.446 -16.401 2.141 1.00 0.00 C ATOM 1047 NZ LYS A 135 -0.751 -16.821 1.362 1.00 0.00 N ATOM 0 H LYS A 135 2.672 -11.204 0.678 1.00 0.00 H new ATOM 0 HA LYS A 135 0.414 -12.381 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 135 2.568 -13.466 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 135 3.345 -12.912 2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 135 2.607 -15.264 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 135 1.832 -14.247 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.246 -14.550 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 135 0.328 -14.417 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 135 1.346 -16.765 1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.416 -16.862 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -0.768 -17.858 1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -1.612 -16.497 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -0.711 -16.402 0.411 1.00 0.00 H new ATOM 1061 N ALA A 136 2.352 -10.558 3.822 1.00 0.00 N ATOM 1062 CA ALA A 136 2.450 -9.924 5.130 1.00 0.00 C ATOM 1063 C ALA A 136 1.265 -8.998 5.381 1.00 0.00 C ATOM 1064 O ALA A 136 0.726 -8.950 6.487 1.00 0.00 O ATOM 1065 CB ALA A 136 3.758 -9.154 5.245 1.00 0.00 C ATOM 0 H ALA A 136 3.063 -10.259 3.155 1.00 0.00 H new ATOM 0 HA ALA A 136 2.433 -10.706 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 136 3.819 -8.685 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 136 4.596 -9.839 5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 136 3.797 -8.386 4.473 1.00 0.00 H new ATOM 1071 N MET A 137 0.864 -8.267 4.347 1.00 0.00 N ATOM 1072 CA MET A 137 -0.259 -7.342 4.455 1.00 0.00 C ATOM 1073 C MET A 137 -1.568 -8.097 4.670 1.00 0.00 C ATOM 1074 O MET A 137 -2.498 -7.581 5.290 1.00 0.00 O ATOM 1075 CB MET A 137 -0.355 -6.477 3.196 1.00 0.00 C ATOM 1076 CG MET A 137 0.248 -5.092 3.363 1.00 0.00 C ATOM 1077 SD MET A 137 2.002 -5.144 3.784 1.00 0.00 S ATOM 1078 CE MET A 137 1.966 -4.505 5.458 1.00 0.00 C ATOM 0 H MET A 137 1.299 -8.297 3.425 1.00 0.00 H new ATOM 0 HA MET A 137 -0.087 -6.699 5.318 1.00 0.00 H new ATOM 0 HB2 MET A 137 0.149 -6.987 2.375 1.00 0.00 H new ATOM 0 HB3 MET A 137 -1.403 -6.376 2.913 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.117 -4.529 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.293 -4.556 4.143 1.00 0.00 H new ATOM 0 HE1 MET A 137 2.785 -4.939 6.031 1.00 0.00 H new ATOM 0 HE2 MET A 137 2.074 -3.421 5.436 1.00 0.00 H new ATOM 0 HE3 MET A 137 1.017 -4.766 5.927 1.00 0.00 H new ATOM 1088 N LYS A 138 -1.633 -9.320 4.154 1.00 0.00 N ATOM 1089 CA LYS A 138 -2.828 -10.144 4.291 1.00 0.00 C ATOM 1090 C LYS A 138 -2.830 -10.887 5.624 1.00 0.00 C ATOM 1091 O LYS A 138 -3.888 -11.161 6.190 1.00 0.00 O ATOM 1092 CB LYS A 138 -2.918 -11.146 3.138 1.00 0.00 C ATOM 1093 CG LYS A 138 -4.300 -11.751 2.963 1.00 0.00 C ATOM 1094 CD LYS A 138 -4.244 -13.055 2.180 1.00 0.00 C ATOM 1095 CE LYS A 138 -4.360 -14.264 3.095 1.00 0.00 C ATOM 1096 NZ LYS A 138 -5.689 -14.926 2.973 1.00 0.00 N ATOM 0 H LYS A 138 -0.873 -9.762 3.637 1.00 0.00 H new ATOM 0 HA LYS A 138 -3.696 -9.485 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.629 -10.649 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.199 -11.947 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -4.745 -11.932 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -4.946 -11.042 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -5.050 -13.074 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.307 -13.107 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -3.574 -14.980 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -4.202 -13.954 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -5.729 -15.745 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -6.438 -14.251 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -5.830 -15.244 1.993 1.00 0.00 H new ATOM 1110 N GLU A 139 -1.640 -11.210 6.119 1.00 0.00 N ATOM 1111 CA GLU A 139 -1.505 -11.922 7.385 1.00 0.00 C ATOM 1112 C GLU A 139 -1.040 -10.988 8.503 1.00 0.00 C ATOM 1113 O GLU A 139 -0.693 -11.440 9.594 1.00 0.00 O ATOM 1114 CB GLU A 139 -0.524 -13.087 7.234 1.00 0.00 C ATOM 1115 CG GLU A 139 -1.118 -14.435 7.606 1.00 0.00 C ATOM 1116 CD GLU A 139 -0.190 -15.590 7.286 1.00 0.00 C ATOM 1117 OE1 GLU A 139 0.520 -15.514 6.260 1.00 0.00 O ATOM 1118 OE2 GLU A 139 -0.173 -16.570 8.059 1.00 0.00 O ATOM 0 H GLU A 139 -0.755 -10.990 5.663 1.00 0.00 H new ATOM 0 HA GLU A 139 -2.487 -12.311 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.175 -13.126 6.202 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.349 -12.899 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.349 -14.444 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.059 -14.572 7.074 1.00 0.00 H new ATOM 1125 N THR A 140 -1.034 -9.685 8.228 1.00 0.00 N ATOM 1126 CA THR A 140 -0.609 -8.701 9.216 1.00 0.00 C ATOM 1127 C THR A 140 -1.605 -8.621 10.368 1.00 0.00 C ATOM 1128 O THR A 140 -2.818 -8.651 10.158 1.00 0.00 O ATOM 1129 CB THR A 140 -0.452 -7.323 8.565 1.00 0.00 C ATOM 1130 OG1 THR A 140 -0.993 -7.320 7.255 1.00 0.00 O ATOM 1131 CG2 THR A 140 0.989 -6.870 8.466 1.00 0.00 C ATOM 0 H THR A 140 -1.318 -9.289 7.332 1.00 0.00 H new ATOM 0 HA THR A 140 0.355 -9.018 9.614 1.00 0.00 H new ATOM 0 HB THR A 140 -0.991 -6.634 9.216 1.00 0.00 H new ATOM 0 HG1 THR A 140 -1.954 -7.505 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.030 -5.887 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 140 1.422 -6.813 9.465 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.554 -7.583 7.866 1.00 0.00 H new ATOM 1139 N LYS A 141 -1.084 -8.518 11.587 1.00 0.00 N ATOM 1140 CA LYS A 141 -1.925 -8.431 12.773 1.00 0.00 C ATOM 1141 C LYS A 141 -1.388 -7.381 13.741 1.00 0.00 C ATOM 1142 O LYS A 141 -0.775 -7.712 14.755 1.00 0.00 O ATOM 1143 CB LYS A 141 -2.006 -9.792 13.468 1.00 0.00 C ATOM 1144 CG LYS A 141 -3.177 -10.642 13.006 1.00 0.00 C ATOM 1145 CD LYS A 141 -2.856 -11.381 11.717 1.00 0.00 C ATOM 1146 CE LYS A 141 -3.631 -12.685 11.613 1.00 0.00 C ATOM 1147 NZ LYS A 141 -2.795 -13.859 11.991 1.00 0.00 N ATOM 0 H LYS A 141 -0.082 -8.493 11.778 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.926 -8.133 12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.079 -10.337 13.290 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.083 -9.637 14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -3.435 -11.361 13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -4.051 -10.008 12.855 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -3.094 -10.746 10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.787 -11.588 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -4.507 -12.639 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -3.994 -12.811 10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -3.359 -14.729 11.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.972 -13.918 11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -2.469 -13.751 12.973 1.00 0.00 H new ATOM 1161 N GLY A 142 -1.622 -6.113 13.416 1.00 0.00 N ATOM 1162 CA GLY A 142 -1.154 -5.033 14.265 1.00 0.00 C ATOM 1163 C GLY A 142 -1.242 -3.682 13.582 1.00 0.00 C ATOM 1164 O GLY A 142 -1.967 -3.522 12.601 1.00 0.00 O ATOM 0 H GLY A 142 -2.127 -5.815 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.744 -5.013 15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.121 -5.224 14.555 1.00 0.00 H new ATOM 1168 N MET A 143 -0.504 -2.706 14.102 1.00 0.00 N ATOM 1169 CA MET A 143 -0.506 -1.362 13.534 1.00 0.00 C ATOM 1170 C MET A 143 0.487 -1.254 12.383 1.00 0.00 C ATOM 1171 O MET A 143 1.684 -1.481 12.557 1.00 0.00 O ATOM 1172 CB MET A 143 -0.180 -0.326 14.609 1.00 0.00 C ATOM 1173 CG MET A 143 1.213 -0.471 15.199 1.00 0.00 C ATOM 1174 SD MET A 143 1.343 0.233 16.855 1.00 0.00 S ATOM 1175 CE MET A 143 0.246 1.645 16.718 1.00 0.00 C ATOM 0 H MET A 143 0.102 -2.820 14.914 1.00 0.00 H new ATOM 0 HA MET A 143 -1.505 -1.163 13.145 1.00 0.00 H new ATOM 0 HB2 MET A 143 -0.281 0.672 14.181 1.00 0.00 H new ATOM 0 HB3 MET A 143 -0.914 -0.405 15.411 1.00 0.00 H new ATOM 0 HG2 MET A 143 1.480 -1.527 15.235 1.00 0.00 H new ATOM 0 HG3 MET A 143 1.934 0.017 14.543 1.00 0.00 H new ATOM 0 HE1 MET A 143 0.468 2.357 17.513 1.00 0.00 H new ATOM 0 HE2 MET A 143 0.390 2.125 15.750 1.00 0.00 H new ATOM 0 HE3 MET A 143 -0.788 1.312 16.808 1.00 0.00 H new ATOM 1185 N ILE A 144 -0.023 -0.909 11.205 1.00 0.00 N ATOM 1186 CA ILE A 144 0.812 -0.772 10.019 1.00 0.00 C ATOM 1187 C ILE A 144 1.229 0.678 9.798 1.00 0.00 C ATOM 1188 O ILE A 144 0.407 1.591 9.874 1.00 0.00 O ATOM 1189 CB ILE A 144 0.083 -1.279 8.756 1.00 0.00 C ATOM 1190 CG1 ILE A 144 -0.409 -2.712 8.964 1.00 0.00 C ATOM 1191 CG2 ILE A 144 0.997 -1.199 7.539 1.00 0.00 C ATOM 1192 CD1 ILE A 144 -1.144 -3.277 7.768 1.00 0.00 C ATOM 0 H ILE A 144 -1.013 -0.719 11.047 1.00 0.00 H new ATOM 0 HA ILE A 144 1.700 -1.380 10.190 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.781 -0.639 8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 144 0.444 -3.351 9.192 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.068 -2.739 9.832 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.464 -1.561 6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.300 -0.164 7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.881 -1.815 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -1.464 -4.296 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -2.017 -2.661 7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -0.481 -3.282 6.903 1.00 0.00 H new ATOM 1204 N SER A 145 2.511 0.877 9.507 1.00 0.00 N ATOM 1205 CA SER A 145 3.043 2.210 9.255 1.00 0.00 C ATOM 1206 C SER A 145 3.427 2.350 7.786 1.00 0.00 C ATOM 1207 O SER A 145 4.343 1.680 7.309 1.00 0.00 O ATOM 1208 CB SER A 145 4.258 2.482 10.142 1.00 0.00 C ATOM 1209 OG SER A 145 3.963 2.224 11.505 1.00 0.00 O ATOM 0 H SER A 145 3.201 0.129 9.440 1.00 0.00 H new ATOM 0 HA SER A 145 2.270 2.941 9.493 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.092 1.857 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 145 4.573 3.519 10.025 1.00 0.00 H new ATOM 0 HG SER A 145 4.757 2.404 12.051 1.00 0.00 H new ATOM 1215 N LEU A 146 2.713 3.210 7.070 1.00 0.00 N ATOM 1216 CA LEU A 146 2.972 3.419 5.652 1.00 0.00 C ATOM 1217 C LEU A 146 3.493 4.825 5.384 1.00 0.00 C ATOM 1218 O LEU A 146 3.044 5.796 5.992 1.00 0.00 O ATOM 1219 CB LEU A 146 1.696 3.178 4.840 1.00 0.00 C ATOM 1220 CG LEU A 146 1.118 1.763 4.930 1.00 0.00 C ATOM 1221 CD1 LEU A 146 2.208 0.719 4.745 1.00 0.00 C ATOM 1222 CD2 LEU A 146 0.407 1.563 6.260 1.00 0.00 C ATOM 0 H LEU A 146 1.951 3.773 7.448 1.00 0.00 H new ATOM 0 HA LEU A 146 3.738 2.707 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 146 0.935 3.885 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 146 1.904 3.402 3.794 1.00 0.00 H new ATOM 0 HG LEU A 146 0.392 1.640 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 146 1.772 -0.278 4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 146 2.672 0.846 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 146 2.963 0.839 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.002 0.552 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.114 1.709 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -0.405 2.284 6.350 1.00 0.00 H new ATOM 1234 N LYS A 147 4.434 4.921 4.453 1.00 0.00 N ATOM 1235 CA LYS A 147 5.014 6.202 4.075 1.00 0.00 C ATOM 1236 C LYS A 147 4.569 6.569 2.668 1.00 0.00 C ATOM 1237 O LYS A 147 5.035 5.985 1.691 1.00 0.00 O ATOM 1238 CB LYS A 147 6.540 6.138 4.146 1.00 0.00 C ATOM 1239 CG LYS A 147 7.110 6.619 5.470 1.00 0.00 C ATOM 1240 CD LYS A 147 8.501 7.208 5.295 1.00 0.00 C ATOM 1241 CE LYS A 147 9.107 7.616 6.628 1.00 0.00 C ATOM 1242 NZ LYS A 147 10.515 7.151 6.763 1.00 0.00 N ATOM 0 H LYS A 147 4.813 4.122 3.944 1.00 0.00 H new ATOM 0 HA LYS A 147 4.669 6.967 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 147 6.860 5.110 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 147 6.958 6.741 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 147 6.447 7.369 5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.151 5.787 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 147 9.148 6.477 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 147 8.449 8.076 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 147 9.072 8.701 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 147 8.509 7.203 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 10.892 7.449 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.546 6.114 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.092 7.565 6.003 1.00 0.00 H new ATOM 1256 N VAL A 148 3.652 7.520 2.567 1.00 0.00 N ATOM 1257 CA VAL A 148 3.135 7.936 1.272 1.00 0.00 C ATOM 1258 C VAL A 148 2.910 9.444 1.213 1.00 0.00 C ATOM 1259 O VAL A 148 2.611 10.081 2.224 1.00 0.00 O ATOM 1260 CB VAL A 148 1.815 7.206 0.951 1.00 0.00 C ATOM 1261 CG1 VAL A 148 0.810 7.397 2.076 1.00 0.00 C ATOM 1262 CG2 VAL A 148 1.241 7.674 -0.378 1.00 0.00 C ATOM 0 H VAL A 148 3.252 8.016 3.363 1.00 0.00 H new ATOM 0 HA VAL A 148 3.885 7.671 0.527 1.00 0.00 H new ATOM 0 HB VAL A 148 2.029 6.141 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -0.115 6.874 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 148 1.220 6.994 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 148 0.603 8.460 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.311 7.143 -0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 148 1.045 8.745 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 148 1.956 7.469 -1.175 1.00 0.00 H new ATOM 1272 N ILE A 149 3.055 10.006 0.016 1.00 0.00 N ATOM 1273 CA ILE A 149 2.867 11.435 -0.190 1.00 0.00 C ATOM 1274 C ILE A 149 1.836 11.698 -1.288 1.00 0.00 C ATOM 1275 O ILE A 149 2.007 11.254 -2.425 1.00 0.00 O ATOM 1276 CB ILE A 149 4.191 12.126 -0.573 1.00 0.00 C ATOM 1277 CG1 ILE A 149 5.304 11.730 0.399 1.00 0.00 C ATOM 1278 CG2 ILE A 149 4.012 13.637 -0.596 1.00 0.00 C ATOM 1279 CD1 ILE A 149 6.577 11.288 -0.289 1.00 0.00 C ATOM 0 H ILE A 149 3.303 9.489 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 149 2.509 11.848 0.753 1.00 0.00 H new ATOM 0 HB ILE A 149 4.477 11.797 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 149 5.527 12.577 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 149 4.947 10.923 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 149 4.955 14.111 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 149 3.249 13.902 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 149 3.704 13.982 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 149 7.322 11.022 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 149 6.369 10.422 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 149 6.958 12.101 -0.907 1.00 0.00 H new ATOM 1291 N PRO A 150 0.747 12.421 -0.966 1.00 0.00 N ATOM 1292 CA PRO A 150 -0.307 12.733 -1.939 1.00 0.00 C ATOM 1293 C PRO A 150 0.226 13.512 -3.138 1.00 0.00 C ATOM 1294 O PRO A 150 0.719 14.630 -2.991 1.00 0.00 O ATOM 1295 CB PRO A 150 -1.297 13.593 -1.145 1.00 0.00 C ATOM 1296 CG PRO A 150 -1.016 13.287 0.285 1.00 0.00 C ATOM 1297 CD PRO A 150 0.453 12.987 0.362 1.00 0.00 C ATOM 0 HA PRO A 150 -0.751 11.829 -2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -1.156 14.653 -1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -2.327 13.350 -1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -1.276 14.131 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -1.607 12.436 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 150 1.039 13.886 0.556 1.00 0.00 H new ATOM 0 HD3 PRO A 150 0.679 12.281 1.161 1.00 0.00 H new ATOM 1305 N ASN A 151 0.121 12.911 -4.321 1.00 0.00 N ATOM 1306 CA ASN A 151 0.589 13.540 -5.557 1.00 0.00 C ATOM 1307 C ASN A 151 1.954 14.199 -5.367 1.00 0.00 C ATOM 1308 O ASN A 151 2.218 15.272 -5.908 1.00 0.00 O ATOM 1309 CB ASN A 151 -0.429 14.576 -6.046 1.00 0.00 C ATOM 1310 CG ASN A 151 -0.583 15.739 -5.087 1.00 0.00 C ATOM 1311 OD1 ASN A 151 0.233 16.662 -5.077 1.00 0.00 O ATOM 1312 ND2 ASN A 151 -1.632 15.703 -4.274 1.00 0.00 N ATOM 0 H ASN A 151 -0.286 11.985 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 151 0.694 12.757 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 151 -0.119 14.952 -7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 151 -1.396 14.093 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 151 -1.787 16.459 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 151 -2.283 14.919 -4.316 1.00 0.00 H new ATOM 1319 N GLN A 152 2.817 13.546 -4.595 1.00 0.00 N ATOM 1320 CA GLN A 152 4.154 14.068 -4.334 1.00 0.00 C ATOM 1321 C GLN A 152 4.083 15.417 -3.624 1.00 0.00 C ATOM 1322 O GLN A 152 4.855 16.328 -3.923 1.00 0.00 O ATOM 1323 CB GLN A 152 4.935 14.207 -5.642 1.00 0.00 C ATOM 1324 CG GLN A 152 4.831 12.988 -6.545 1.00 0.00 C ATOM 1325 CD GLN A 152 6.066 12.793 -7.403 1.00 0.00 C ATOM 1326 OE1 GLN A 152 6.240 13.460 -8.422 1.00 0.00 O ATOM 1327 NE2 GLN A 152 6.930 11.872 -6.994 1.00 0.00 N ATOM 0 H GLN A 152 2.615 12.656 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 152 4.671 13.363 -3.684 1.00 0.00 H new ATOM 0 HB2 GLN A 152 4.571 15.081 -6.182 1.00 0.00 H new ATOM 0 HB3 GLN A 152 5.985 14.389 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 152 4.674 12.099 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 152 3.958 13.091 -7.189 1.00 0.00 H new ATOM 0 HE21 GLN A 152 6.745 11.342 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 152 7.779 11.694 -7.531 1.00 0.00 H new ATOM 1336 N GLN A 153 3.154 15.535 -2.681 1.00 0.00 N ATOM 1337 CA GLN A 153 2.983 16.773 -1.929 1.00 0.00 C ATOM 1338 C GLN A 153 2.344 16.500 -0.571 1.00 0.00 C ATOM 1339 O GLN A 153 1.264 15.872 -0.542 1.00 0.00 O ATOM 1340 CB GLN A 153 2.126 17.762 -2.720 1.00 0.00 C ATOM 1341 CG GLN A 153 2.198 19.186 -2.193 1.00 0.00 C ATOM 1342 CD GLN A 153 1.185 20.102 -2.851 1.00 0.00 C ATOM 1343 OE1 GLN A 153 1.540 21.135 -3.418 1.00 0.00 O ATOM 1344 NE2 GLN A 153 -0.087 19.727 -2.777 1.00 0.00 N ATOM 1345 OXT GLN A 153 2.927 16.915 0.452 1.00 0.00 O ATOM 0 H GLN A 153 2.509 14.790 -2.420 1.00 0.00 H new ATOM 0 HA GLN A 153 3.969 17.209 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 153 2.444 17.753 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 153 1.089 17.428 -2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 153 2.031 19.180 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 153 3.201 19.581 -2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 153 -0.337 18.862 -2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 153 -0.814 20.304 -3.200 1.00 0.00 H new TER 1354 GLN A 153 ATOM 1355 N ARG B 123 3.034 -4.974 -17.124 1.00 0.00 N ATOM 1356 CA ARG B 123 2.260 -4.191 -16.125 1.00 0.00 C ATOM 1357 C ARG B 123 1.750 -5.084 -14.999 1.00 0.00 C ATOM 1358 O ARG B 123 1.138 -6.124 -15.246 1.00 0.00 O ATOM 1359 CB ARG B 123 1.086 -3.518 -16.840 1.00 0.00 C ATOM 1360 CG ARG B 123 1.509 -2.625 -17.995 1.00 0.00 C ATOM 1361 CD ARG B 123 0.516 -1.497 -18.219 1.00 0.00 C ATOM 1362 NE ARG B 123 1.144 -0.328 -18.832 1.00 0.00 N ATOM 1363 CZ ARG B 123 0.468 0.637 -19.450 1.00 0.00 C ATOM 1364 NH1 ARG B 123 -0.854 0.578 -19.542 1.00 0.00 N ATOM 1365 NH2 ARG B 123 1.118 1.664 -19.981 1.00 0.00 N ATOM 0 HA ARG B 123 2.909 -3.439 -15.677 1.00 0.00 H new ATOM 0 HB2 ARG B 123 0.410 -4.287 -17.215 1.00 0.00 H new ATOM 0 HB3 ARG B 123 0.524 -2.924 -16.119 1.00 0.00 H new ATOM 0 HG2 ARG B 123 2.495 -2.208 -17.792 1.00 0.00 H new ATOM 0 HG3 ARG B 123 1.596 -3.220 -18.904 1.00 0.00 H new ATOM 0 HD2 ARG B 123 -0.295 -1.849 -18.857 1.00 0.00 H new ATOM 0 HD3 ARG B 123 0.071 -1.211 -17.266 1.00 0.00 H new ATOM 0 HE ARG B 123 2.160 -0.247 -18.783 1.00 0.00 H new ATOM 0 HH11 ARG B 123 -1.359 -0.211 -19.138 1.00 0.00 H new ATOM 0 HH12 ARG B 123 -1.366 1.321 -20.017 1.00 0.00 H new ATOM 0 HH21 ARG B 123 2.135 1.713 -19.915 1.00 0.00 H new ATOM 0 HH22 ARG B 123 0.601 2.405 -20.455 1.00 0.00 H new ATOM 1379 N LYS B 124 2.006 -4.673 -13.762 1.00 0.00 N ATOM 1380 CA LYS B 124 1.573 -5.437 -12.597 1.00 0.00 C ATOM 1381 C LYS B 124 0.710 -4.581 -11.674 1.00 0.00 C ATOM 1382 O LYS B 124 0.644 -3.362 -11.821 1.00 0.00 O ATOM 1383 CB LYS B 124 2.786 -5.975 -11.831 1.00 0.00 C ATOM 1384 CG LYS B 124 2.660 -7.439 -11.444 1.00 0.00 C ATOM 1385 CD LYS B 124 2.584 -8.337 -12.670 1.00 0.00 C ATOM 1386 CE LYS B 124 1.413 -9.303 -12.586 1.00 0.00 C ATOM 1387 NZ LYS B 124 0.273 -8.870 -13.440 1.00 0.00 N ATOM 0 H LYS B 124 2.511 -3.815 -13.540 1.00 0.00 H new ATOM 0 HA LYS B 124 0.974 -6.277 -12.948 1.00 0.00 H new ATOM 0 HB2 LYS B 124 3.679 -5.845 -12.443 1.00 0.00 H new ATOM 0 HB3 LYS B 124 2.929 -5.380 -10.929 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.514 -7.729 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS B 124 1.768 -7.579 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS B 124 2.486 -7.723 -13.565 1.00 0.00 H new ATOM 0 HD3 LYS B 124 3.513 -8.899 -12.768 1.00 0.00 H new ATOM 0 HE2 LYS B 124 1.739 -10.297 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS B 124 1.081 -9.382 -11.551 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 -0.375 -9.670 -13.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 -0.236 -8.094 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 0.633 -8.543 -14.359 1.00 0.00 H new ATOM 1401 N GLU B 125 0.056 -5.234 -10.719 1.00 0.00 N ATOM 1402 CA GLU B 125 -0.796 -4.553 -9.763 1.00 0.00 C ATOM 1403 C GLU B 125 -1.075 -5.463 -8.581 1.00 0.00 C ATOM 1404 O GLU B 125 -1.351 -6.651 -8.748 1.00 0.00 O ATOM 1405 CB GLU B 125 -2.113 -4.124 -10.409 1.00 0.00 C ATOM 1406 CG GLU B 125 -2.002 -2.856 -11.241 1.00 0.00 C ATOM 1407 CD GLU B 125 -1.926 -3.138 -12.728 1.00 0.00 C ATOM 1408 OE1 GLU B 125 -2.580 -4.100 -13.184 1.00 0.00 O ATOM 1409 OE2 GLU B 125 -1.212 -2.399 -13.438 1.00 0.00 O ATOM 0 H GLU B 125 0.104 -6.245 -10.590 1.00 0.00 H new ATOM 0 HA GLU B 125 -0.276 -3.659 -9.419 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -2.477 -4.933 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -2.858 -3.971 -9.628 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -2.862 -2.218 -11.040 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -1.115 -2.302 -10.935 1.00 0.00 H new ATOM 1416 N TYR B 126 -0.981 -4.905 -7.388 1.00 0.00 N ATOM 1417 CA TYR B 126 -1.202 -5.668 -6.176 1.00 0.00 C ATOM 1418 C TYR B 126 -2.205 -4.987 -5.263 1.00 0.00 C ATOM 1419 O TYR B 126 -2.085 -3.798 -4.969 1.00 0.00 O ATOM 1420 CB TYR B 126 0.119 -5.851 -5.438 1.00 0.00 C ATOM 1421 CG TYR B 126 0.971 -6.936 -6.031 1.00 0.00 C ATOM 1422 CD1 TYR B 126 1.672 -6.722 -7.207 1.00 0.00 C ATOM 1423 CD2 TYR B 126 1.071 -8.173 -5.419 1.00 0.00 C ATOM 1424 CE1 TYR B 126 2.451 -7.713 -7.762 1.00 0.00 C ATOM 1425 CE2 TYR B 126 1.847 -9.174 -5.961 1.00 0.00 C ATOM 1426 CZ TYR B 126 2.538 -8.941 -7.135 1.00 0.00 C ATOM 1427 OH TYR B 126 3.315 -9.936 -7.682 1.00 0.00 O ATOM 0 H TYR B 126 -0.752 -3.923 -7.234 1.00 0.00 H new ATOM 0 HA TYR B 126 -1.609 -6.639 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR B 126 0.672 -4.912 -5.454 1.00 0.00 H new ATOM 0 HB3 TYR B 126 -0.083 -6.085 -4.393 1.00 0.00 H new ATOM 0 HD1 TYR B 126 1.606 -5.762 -7.697 1.00 0.00 H new ATOM 0 HD2 TYR B 126 0.532 -8.357 -4.501 1.00 0.00 H new ATOM 0 HE1 TYR B 126 2.990 -7.532 -8.680 1.00 0.00 H new ATOM 0 HE2 TYR B 126 1.915 -10.134 -5.472 1.00 0.00 H new ATOM 0 HH TYR B 126 3.268 -10.735 -7.117 1.00 0.00 H new ATOM 1437 N CYS B 127 -3.173 -5.756 -4.789 1.00 0.00 N ATOM 1438 CA CYS B 127 -4.170 -5.228 -3.877 1.00 0.00 C ATOM 1439 C CYS B 127 -3.875 -5.754 -2.485 1.00 0.00 C ATOM 1440 O CYS B 127 -3.898 -6.961 -2.244 1.00 0.00 O ATOM 1441 CB CYS B 127 -5.577 -5.630 -4.322 1.00 0.00 C ATOM 1442 SG CYS B 127 -6.373 -4.429 -5.440 1.00 0.00 S ATOM 0 H CYS B 127 -3.288 -6.743 -5.020 1.00 0.00 H new ATOM 0 HA CYS B 127 -4.127 -4.139 -3.875 1.00 0.00 H new ATOM 0 HB2 CYS B 127 -5.526 -6.598 -4.821 1.00 0.00 H new ATOM 0 HB3 CYS B 127 -6.203 -5.759 -3.439 1.00 0.00 H new ATOM 1447 N ILE B 128 -3.551 -4.842 -1.584 1.00 0.00 N ATOM 1448 CA ILE B 128 -3.196 -5.207 -0.229 1.00 0.00 C ATOM 1449 C ILE B 128 -3.655 -4.152 0.773 1.00 0.00 C ATOM 1450 O ILE B 128 -3.087 -4.106 1.884 1.00 0.00 O ATOM 1451 CB ILE B 128 -1.670 -5.391 -0.124 1.00 0.00 C ATOM 1452 CG1 ILE B 128 -0.948 -4.129 -0.605 1.00 0.00 C ATOM 1453 CG2 ILE B 128 -1.232 -6.602 -0.937 1.00 0.00 C ATOM 1454 CD1 ILE B 128 -0.970 -3.957 -2.107 1.00 0.00 C ATOM 1455 OXT ILE B 128 -4.581 -3.382 0.439 1.00 0.00 O ATOM 0 H ILE B 128 -3.527 -3.840 -1.771 1.00 0.00 H new ATOM 0 HA ILE B 128 -3.701 -6.143 0.011 1.00 0.00 H new ATOM 0 HB ILE B 128 -1.406 -5.560 0.920 1.00 0.00 H new ATOM 0 HG12 ILE B 128 -1.409 -3.257 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE B 128 0.087 -4.161 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE B 128 -0.152 -6.723 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE B 128 -1.727 -7.495 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE B 128 -1.503 -6.456 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE B 128 -0.441 -3.043 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE B 128 -0.483 -4.811 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE B 128 -2.002 -3.893 -2.451 1.00 0.00 H new TER 1467 ILE B 128