USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 841 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 37 MET CE :methyl -165:sc= -0.951 (180deg=-1.58) USER MOD Set 1.2: A 93 ASN :FLIP amide:sc= -0.0139 F(o=-1.7,f=-0.97) USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= -5.28! C(o=-12!,f=-5.3!) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 29 MET CE :methyl -120:sc= -2.09! (180deg=-3.41!) USER MOD Set 3.2: A 78 GLN : amide:sc= -7.61! C(o=-9.7!,f=-11!) USER MOD Set 4.1: A 25 MET CE :methyl -152:sc= -1.46 (180deg=-1.54!) USER MOD Set 4.2: A 28 GLN : amide:sc= -3.68! C(o=-12!,f=-14!) USER MOD Set 4.3: A 73 GLN :FLIP amide:sc= -0.201 F(o=-17,f=-12) USER MOD Set 4.4: A 87 MET CE :methyl -111:sc= -6.53! (180deg=-8.22!) USER MOD Set 5.1: A 20 HIS : no HE2:sc= -1.3 K(o=-1.5,f=-2.2) USER MOD Set 5.2: A 52 GLN : amide:sc= -0.183 K(o=-1.5,f=-4.8!) USER MOD Set 6.1: A 12 MET CE :methyl 176:sc= -1.82! (180deg=-1.89) USER MOD Set 6.2: A 17 MET CE :methyl -120:sc= -1.46 (180deg=-3.16!) USER MOD Set 6.3: A 68 MET CE :methyl -173:sc= -6.71! (180deg=-6.02!) USER MOD Set 6.4: A 71 MET CE :methyl -148:sc= -2.05 (180deg=-4.4!) USER MOD Set 7.1: A 15 GLN : amide:sc= -4.88! C(o=-9.5!,f=-14!) USER MOD Set 7.2: A 56 MET CE :methyl -118:sc= -4.62! (180deg=-13.8!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 11 GLN : amide:sc= -1.72 K(o=-1.7,f=-5) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -131:sc= -0.0817 USER MOD Single : A 27 GLN :FLIP amide:sc= -2.47! C(o=-10!,f=-2.5!) USER MOD Single : A 32 SER OG : rot -101:sc= 0.926 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -156:sc= -0.685 (180deg=-1.87) USER MOD Single : A 45 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-1) USER MOD Single : A 46 MET CE :methyl 139:sc= -2.62 (180deg=-6.9!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -130:sc= -0.346 (180deg=-1.54!) USER MOD Single : A 69 MET CE :methyl 133:sc= -0.0537 (180deg=-0.67) USER MOD Single : A 72 MET CE :methyl -109:sc= -3.42! (180deg=-7.04!) USER MOD Single : A 74 GLN :FLIP amide:sc= -1.74 F(o=-4.4!,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -159:sc= -0.277 (180deg=-1.05) USER MOD Single : A 83 GLN : amide:sc= -2.56! C(o=-2.6!,f=-5.4!) USER MOD Single : A 84 MET CE :methyl 138:sc= -4.61! (180deg=-8.87!) USER MOD Single : A 88 MET CE :methyl -147:sc= -0.256 (180deg=-2.07!) USER MOD Single : A 96 SER OG : rot 67:sc= 0.755 USER MOD Single : A 99 ASN :FLIP amide:sc= -2.87! C(o=-6!,f=-2.9!) USER MOD Single : A 101 SER OG : rot 48:sc= 0.352 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -170:sc= 0 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -0.257 43.619 -8.579 1.00 0.00 N ATOM 19 CA ALA A 2 -0.852 44.368 -9.682 1.00 0.00 C ATOM 20 C ALA A 2 -2.245 44.860 -9.306 1.00 0.00 C ATOM 21 O ALA A 2 -2.989 44.173 -8.605 1.00 0.00 O ATOM 22 CB ALA A 2 -0.940 43.483 -10.927 1.00 0.00 C ATOM 0 HA ALA A 2 -0.220 45.230 -9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.385 44.049 -11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.060 43.157 -11.213 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.558 42.611 -10.711 1.00 0.00 H new ATOM 28 N GLU A 3 -2.593 46.055 -9.779 1.00 0.00 N ATOM 29 CA GLU A 3 -3.902 46.635 -9.492 1.00 0.00 C ATOM 30 C GLU A 3 -5.017 45.769 -10.077 1.00 0.00 C ATOM 31 O GLU A 3 -6.160 45.820 -9.620 1.00 0.00 O ATOM 32 CB GLU A 3 -3.988 48.056 -10.067 1.00 0.00 C ATOM 33 CG GLU A 3 -4.089 48.009 -11.599 1.00 0.00 C ATOM 34 CD GLU A 3 -2.854 47.338 -12.197 1.00 0.00 C ATOM 35 OE1 GLU A 3 -1.758 47.812 -11.937 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.019 46.359 -12.905 1.00 0.00 O ATOM 0 H GLU A 3 -1.990 46.638 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.028 46.678 -8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.856 48.570 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.109 48.628 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.985 47.463 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.188 49.020 -11.994 1.00 0.00 H new ATOM 43 N ALA A 4 -4.674 44.979 -11.093 1.00 0.00 N ATOM 44 CA ALA A 4 -5.647 44.107 -11.742 1.00 0.00 C ATOM 45 C ALA A 4 -6.030 42.946 -10.836 1.00 0.00 C ATOM 46 O ALA A 4 -6.891 42.136 -11.180 1.00 0.00 O ATOM 47 CB ALA A 4 -5.081 43.574 -13.060 1.00 0.00 C ATOM 0 H ALA A 4 -3.733 44.926 -11.482 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.543 44.693 -11.946 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.816 42.924 -13.535 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.853 44.409 -13.722 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.171 43.008 -12.863 1.00 0.00 H new ATOM 53 N GLN A 5 -5.397 42.883 -9.674 1.00 0.00 N ATOM 54 CA GLN A 5 -5.682 41.832 -8.707 1.00 0.00 C ATOM 55 C GLN A 5 -7.185 41.734 -8.456 1.00 0.00 C ATOM 56 O GLN A 5 -7.723 40.642 -8.267 1.00 0.00 O ATOM 57 CB GLN A 5 -4.970 42.159 -7.399 1.00 0.00 C ATOM 58 CG GLN A 5 -5.240 41.055 -6.369 1.00 0.00 C ATOM 59 CD GLN A 5 -4.672 41.452 -5.009 1.00 0.00 C ATOM 60 OE1 GLN A 5 -4.934 42.552 -4.521 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.908 40.614 -4.363 1.00 0.00 N ATOM 0 H GLN A 5 -4.682 43.547 -9.377 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.330 40.878 -9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.898 42.253 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.317 43.119 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.313 40.880 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.789 40.120 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.692 39.703 -4.769 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.527 40.870 -3.452 1.00 0.00 H new ATOM 70 N GLU A 6 -7.852 42.885 -8.451 1.00 0.00 N ATOM 71 CA GLU A 6 -9.293 42.930 -8.219 1.00 0.00 C ATOM 72 C GLU A 6 -10.029 41.978 -9.161 1.00 0.00 C ATOM 73 O GLU A 6 -10.972 41.300 -8.752 1.00 0.00 O ATOM 74 CB GLU A 6 -9.802 44.362 -8.418 1.00 0.00 C ATOM 75 CG GLU A 6 -9.606 44.788 -9.878 1.00 0.00 C ATOM 76 CD GLU A 6 -9.894 46.279 -10.031 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.059 46.643 -10.008 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.945 47.034 -10.169 1.00 0.00 O ATOM 0 H GLU A 6 -7.420 43.796 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.489 42.613 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.857 44.422 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.266 45.043 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.585 44.572 -10.194 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.269 44.213 -10.525 1.00 0.00 H new ATOM 85 N GLU A 7 -9.581 41.917 -10.417 1.00 0.00 N ATOM 86 CA GLU A 7 -10.194 41.028 -11.393 1.00 0.00 C ATOM 87 C GLU A 7 -10.166 39.603 -10.871 1.00 0.00 C ATOM 88 O GLU A 7 -11.134 38.855 -11.008 1.00 0.00 O ATOM 89 CB GLU A 7 -9.440 41.106 -12.726 1.00 0.00 C ATOM 90 CG GLU A 7 -9.939 40.008 -13.674 1.00 0.00 C ATOM 91 CD GLU A 7 -9.001 38.805 -13.618 1.00 0.00 C ATOM 92 OE1 GLU A 7 -7.888 38.922 -14.105 1.00 0.00 O ATOM 93 OE2 GLU A 7 -9.407 37.785 -13.089 1.00 0.00 O ATOM 0 H GLU A 7 -8.802 42.470 -10.775 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.227 41.336 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.588 42.086 -13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.369 40.992 -12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.948 39.706 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.991 40.392 -14.693 1.00 0.00 H new ATOM 100 N CYS A 8 -9.037 39.239 -10.270 1.00 0.00 N ATOM 101 CA CYS A 8 -8.874 37.904 -9.729 1.00 0.00 C ATOM 102 C CYS A 8 -9.795 37.694 -8.535 1.00 0.00 C ATOM 103 O CYS A 8 -10.523 36.703 -8.471 1.00 0.00 O ATOM 104 CB CYS A 8 -7.421 37.680 -9.307 1.00 0.00 C ATOM 105 SG CYS A 8 -6.342 37.886 -10.745 1.00 0.00 S ATOM 0 H CYS A 8 -8.229 39.849 -10.148 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.137 37.185 -10.505 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.144 38.388 -8.526 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.302 36.681 -8.889 1.00 0.00 H new ATOM 110 N ARG A 9 -9.764 38.637 -7.596 1.00 0.00 N ATOM 111 CA ARG A 9 -10.604 38.551 -6.407 1.00 0.00 C ATOM 112 C ARG A 9 -12.067 38.380 -6.805 1.00 0.00 C ATOM 113 O ARG A 9 -12.798 37.595 -6.201 1.00 0.00 O ATOM 114 CB ARG A 9 -10.440 39.814 -5.558 1.00 0.00 C ATOM 115 CG ARG A 9 -11.180 39.641 -4.228 1.00 0.00 C ATOM 116 CD ARG A 9 -11.039 40.916 -3.391 1.00 0.00 C ATOM 117 NE ARG A 9 -11.616 40.718 -2.064 1.00 0.00 N ATOM 118 CZ ARG A 9 -10.963 40.050 -1.115 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.779 39.554 -1.355 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.509 39.892 0.060 1.00 0.00 N ATOM 0 H ARG A 9 -9.169 39.465 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.295 37.685 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.383 40.006 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.833 40.678 -6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.233 39.429 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.774 38.789 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.987 41.185 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.538 41.745 -3.892 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.540 41.100 -1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.351 39.678 -2.272 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.283 39.043 -0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.433 40.280 0.249 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.011 39.381 0.789 1.00 0.00 H new ATOM 134 N GLU A 10 -12.482 39.116 -7.832 1.00 0.00 N ATOM 135 CA GLU A 10 -13.856 39.034 -8.314 1.00 0.00 C ATOM 136 C GLU A 10 -14.174 37.609 -8.761 1.00 0.00 C ATOM 137 O GLU A 10 -15.185 37.033 -8.358 1.00 0.00 O ATOM 138 CB GLU A 10 -14.053 40.000 -9.488 1.00 0.00 C ATOM 139 CG GLU A 10 -15.455 39.817 -10.084 1.00 0.00 C ATOM 140 CD GLU A 10 -15.426 38.760 -11.187 1.00 0.00 C ATOM 141 OE1 GLU A 10 -14.641 38.911 -12.109 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.190 37.812 -11.092 1.00 0.00 O ATOM 0 H GLU A 10 -11.891 39.771 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.530 39.309 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.923 41.028 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.297 39.817 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.154 39.519 -9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.813 40.764 -10.487 1.00 0.00 H new ATOM 149 N GLN A 11 -13.300 37.052 -9.597 1.00 0.00 N ATOM 150 CA GLN A 11 -13.490 35.694 -10.098 1.00 0.00 C ATOM 151 C GLN A 11 -13.538 34.685 -8.954 1.00 0.00 C ATOM 152 O GLN A 11 -14.293 33.716 -9.014 1.00 0.00 O ATOM 153 CB GLN A 11 -12.370 35.323 -11.073 1.00 0.00 C ATOM 154 CG GLN A 11 -12.502 36.161 -12.349 1.00 0.00 C ATOM 155 CD GLN A 11 -11.409 35.784 -13.346 1.00 0.00 C ATOM 156 OE1 GLN A 11 -10.411 35.165 -12.977 1.00 0.00 O ATOM 157 NE2 GLN A 11 -11.540 36.125 -14.599 1.00 0.00 N ATOM 0 H GLN A 11 -12.459 37.517 -9.939 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.445 35.663 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.399 35.497 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.422 34.262 -11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.483 36.002 -12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.431 37.221 -12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.367 36.638 -14.904 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.815 35.879 -15.273 1.00 0.00 H new ATOM 166 N MET A 12 -12.730 34.908 -7.916 1.00 0.00 N ATOM 167 CA MET A 12 -12.708 33.991 -6.779 1.00 0.00 C ATOM 168 C MET A 12 -14.118 33.767 -6.244 1.00 0.00 C ATOM 169 O MET A 12 -14.494 32.639 -5.924 1.00 0.00 O ATOM 170 CB MET A 12 -11.811 34.536 -5.660 1.00 0.00 C ATOM 171 CG MET A 12 -10.345 34.500 -6.104 1.00 0.00 C ATOM 172 SD MET A 12 -9.878 32.809 -6.557 1.00 0.00 S ATOM 173 CE MET A 12 -10.089 32.051 -4.927 1.00 0.00 C ATOM 0 H MET A 12 -12.093 35.701 -7.840 1.00 0.00 H new ATOM 0 HA MET A 12 -12.304 33.039 -7.123 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.101 35.558 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.941 33.942 -4.756 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.197 35.167 -6.953 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.704 34.860 -5.300 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.917 30.977 -5.000 1.00 0.00 H new ATOM 0 HE2 MET A 12 -9.375 32.486 -4.228 1.00 0.00 H new ATOM 0 HE3 MET A 12 -11.103 32.232 -4.570 1.00 0.00 H new ATOM 183 N GLN A 13 -14.905 34.842 -6.165 1.00 0.00 N ATOM 184 CA GLN A 13 -16.278 34.728 -5.683 1.00 0.00 C ATOM 185 C GLN A 13 -17.062 33.791 -6.593 1.00 0.00 C ATOM 186 O GLN A 13 -17.734 32.873 -6.127 1.00 0.00 O ATOM 187 CB GLN A 13 -16.952 36.102 -5.666 1.00 0.00 C ATOM 188 CG GLN A 13 -16.182 37.042 -4.732 1.00 0.00 C ATOM 189 CD GLN A 13 -16.898 38.387 -4.621 1.00 0.00 C ATOM 190 OE1 GLN A 13 -17.976 38.611 -5.325 1.00 0.00 O flip ATOM 191 NE2 GLN A 13 -16.462 39.260 -3.872 1.00 0.00 N flip ATOM 0 H GLN A 13 -14.619 35.786 -6.425 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.262 34.329 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.980 36.517 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.985 36.007 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.090 36.589 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.170 37.191 -5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.621 39.087 -3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.942 40.157 -3.801 1.00 0.00 H new ATOM 200 N ARG A 14 -16.934 34.016 -7.901 1.00 0.00 N ATOM 201 CA ARG A 14 -17.585 33.189 -8.890 1.00 0.00 C ATOM 202 C ARG A 14 -17.109 31.767 -8.706 1.00 0.00 C ATOM 203 O ARG A 14 -17.895 30.820 -8.725 1.00 0.00 O ATOM 204 CB ARG A 14 -17.224 33.695 -10.287 1.00 0.00 C ATOM 205 CG ARG A 14 -18.052 32.964 -11.341 1.00 0.00 C ATOM 206 CD ARG A 14 -17.803 33.614 -12.701 1.00 0.00 C ATOM 207 NE ARG A 14 -16.462 33.291 -13.185 1.00 0.00 N ATOM 208 CZ ARG A 14 -16.219 32.180 -13.880 1.00 0.00 C ATOM 209 NH1 ARG A 14 -17.185 31.341 -14.139 1.00 0.00 N ATOM 210 NH2 ARG A 14 -15.009 31.928 -14.298 1.00 0.00 N ATOM 0 H ARG A 14 -16.377 34.775 -8.293 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.668 33.230 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.405 34.768 -10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.162 33.539 -10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.778 31.909 -11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.111 33.011 -11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.548 33.268 -13.418 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.916 34.695 -12.620 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.694 33.931 -12.986 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.131 31.534 -13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.994 30.492 -14.671 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.252 32.580 -14.093 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.820 31.079 -14.830 1.00 0.00 H new ATOM 224 N GLN A 15 -15.799 31.641 -8.502 1.00 0.00 N ATOM 225 CA GLN A 15 -15.204 30.347 -8.283 1.00 0.00 C ATOM 226 C GLN A 15 -15.505 29.902 -6.864 1.00 0.00 C ATOM 227 O GLN A 15 -14.651 29.955 -5.979 1.00 0.00 O ATOM 228 CB GLN A 15 -13.691 30.415 -8.516 1.00 0.00 C ATOM 229 CG GLN A 15 -13.384 30.142 -9.992 1.00 0.00 C ATOM 230 CD GLN A 15 -14.091 31.167 -10.873 1.00 0.00 C ATOM 231 OE1 GLN A 15 -13.525 32.214 -11.185 1.00 0.00 O ATOM 232 NE2 GLN A 15 -15.303 30.928 -11.290 1.00 0.00 N ATOM 0 H GLN A 15 -15.142 32.421 -8.486 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.622 29.625 -8.985 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.313 31.397 -8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.183 29.684 -7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.308 30.186 -10.162 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.708 29.136 -10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.770 30.059 -11.030 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.784 31.610 -11.876 1.00 0.00 H new ATOM 241 N GLN A 16 -16.735 29.463 -6.665 1.00 0.00 N ATOM 242 CA GLN A 16 -17.180 28.998 -5.358 1.00 0.00 C ATOM 243 C GLN A 16 -16.666 27.583 -5.110 1.00 0.00 C ATOM 244 O GLN A 16 -17.392 26.713 -4.627 1.00 0.00 O ATOM 245 CB GLN A 16 -18.707 29.047 -5.293 1.00 0.00 C ATOM 246 CG GLN A 16 -19.155 30.500 -5.469 1.00 0.00 C ATOM 247 CD GLN A 16 -20.676 30.614 -5.446 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.382 29.605 -5.412 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.223 31.799 -5.467 1.00 0.00 N ATOM 0 H GLN A 16 -17.448 29.418 -7.393 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.779 29.647 -4.579 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.139 28.420 -6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.058 28.655 -4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.730 31.113 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.773 30.890 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.635 32.632 -5.495 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.239 31.892 -5.455 1.00 0.00 H new ATOM 258 N MET A 17 -15.397 27.375 -5.455 1.00 0.00 N ATOM 259 CA MET A 17 -14.754 26.078 -5.283 1.00 0.00 C ATOM 260 C MET A 17 -14.641 25.733 -3.805 1.00 0.00 C ATOM 261 O MET A 17 -14.615 24.562 -3.431 1.00 0.00 O ATOM 262 CB MET A 17 -13.365 26.094 -5.959 1.00 0.00 C ATOM 263 CG MET A 17 -12.227 26.175 -4.927 1.00 0.00 C ATOM 264 SD MET A 17 -11.070 27.478 -5.417 1.00 0.00 S ATOM 265 CE MET A 17 -12.095 28.894 -4.946 1.00 0.00 C ATOM 0 H MET A 17 -14.793 28.092 -5.857 1.00 0.00 H new ATOM 0 HA MET A 17 -15.362 25.308 -5.758 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.244 25.195 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.301 26.944 -6.638 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.632 26.385 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.709 25.218 -4.863 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.290 29.510 -5.824 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.040 28.539 -4.535 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.573 29.487 -4.195 1.00 0.00 H new ATOM 275 N LEU A 18 -14.569 26.768 -2.976 1.00 0.00 N ATOM 276 CA LEU A 18 -14.446 26.582 -1.538 1.00 0.00 C ATOM 277 C LEU A 18 -15.651 25.829 -0.966 1.00 0.00 C ATOM 278 O LEU A 18 -15.600 25.333 0.160 1.00 0.00 O ATOM 279 CB LEU A 18 -14.235 27.945 -0.844 1.00 0.00 C ATOM 280 CG LEU A 18 -15.522 28.805 -0.751 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.627 28.327 -1.699 1.00 0.00 C ATOM 282 CD2 LEU A 18 -16.046 28.773 0.687 1.00 0.00 C ATOM 0 H LEU A 18 -14.594 27.743 -3.276 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.570 25.963 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.849 27.775 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.473 28.505 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.255 29.819 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.503 28.967 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.270 28.374 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.896 27.299 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.951 29.376 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.272 27.745 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.288 29.175 1.359 1.00 0.00 H new ATOM 294 N SER A 19 -16.722 25.721 -1.758 1.00 0.00 N ATOM 295 CA SER A 19 -17.913 24.998 -1.324 1.00 0.00 C ATOM 296 C SER A 19 -17.693 23.507 -1.529 1.00 0.00 C ATOM 297 O SER A 19 -17.807 22.711 -0.594 1.00 0.00 O ATOM 298 CB SER A 19 -19.131 25.459 -2.128 1.00 0.00 C ATOM 299 OG SER A 19 -20.295 24.815 -1.625 1.00 0.00 O ATOM 0 H SER A 19 -16.786 26.122 -2.694 1.00 0.00 H new ATOM 0 HA SER A 19 -18.095 25.200 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.240 26.541 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.996 25.221 -3.183 1.00 0.00 H new ATOM 0 HG SER A 19 -21.078 25.109 -2.136 1.00 0.00 H new ATOM 305 N HIS A 20 -17.333 23.148 -2.758 1.00 0.00 N ATOM 306 CA HIS A 20 -17.050 21.760 -3.088 1.00 0.00 C ATOM 307 C HIS A 20 -15.840 21.337 -2.281 1.00 0.00 C ATOM 308 O HIS A 20 -15.752 20.211 -1.789 1.00 0.00 O ATOM 309 CB HIS A 20 -16.751 21.617 -4.587 1.00 0.00 C ATOM 310 CG HIS A 20 -17.527 22.649 -5.361 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.972 23.349 -6.420 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.807 23.128 -5.226 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.905 24.204 -6.875 1.00 0.00 C ATOM 314 NE2 HIS A 20 -19.042 24.111 -6.182 1.00 0.00 N ATOM 0 H HIS A 20 -17.231 23.798 -3.537 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.911 21.133 -2.855 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.683 21.740 -4.768 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -17.019 20.617 -4.927 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -16.027 23.236 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.522 22.793 -4.490 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.753 24.883 -7.701 1.00 0.00 H new ATOM 322 N CYS A 21 -14.919 22.283 -2.138 1.00 0.00 N ATOM 323 CA CYS A 21 -13.708 22.067 -1.376 1.00 0.00 C ATOM 324 C CYS A 21 -14.060 21.785 0.083 1.00 0.00 C ATOM 325 O CYS A 21 -13.534 20.850 0.685 1.00 0.00 O ATOM 326 CB CYS A 21 -12.823 23.310 -1.477 1.00 0.00 C ATOM 327 SG CYS A 21 -11.859 23.245 -3.012 1.00 0.00 S ATOM 0 H CYS A 21 -14.995 23.214 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.169 21.209 -1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.438 24.210 -1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.155 23.364 -0.618 1.00 0.00 H new ATOM 332 N ARG A 22 -14.975 22.584 0.640 1.00 0.00 N ATOM 333 CA ARG A 22 -15.401 22.381 2.023 1.00 0.00 C ATOM 334 C ARG A 22 -15.924 20.957 2.188 1.00 0.00 C ATOM 335 O ARG A 22 -15.550 20.241 3.126 1.00 0.00 O ATOM 336 CB ARG A 22 -16.501 23.384 2.393 1.00 0.00 C ATOM 337 CG ARG A 22 -16.847 23.250 3.880 1.00 0.00 C ATOM 338 CD ARG A 22 -15.690 23.781 4.732 1.00 0.00 C ATOM 339 NE ARG A 22 -14.959 22.674 5.341 1.00 0.00 N ATOM 340 CZ ARG A 22 -13.998 22.890 6.236 1.00 0.00 C ATOM 341 NH1 ARG A 22 -13.695 24.107 6.592 1.00 0.00 N ATOM 342 NH2 ARG A 22 -13.360 21.883 6.762 1.00 0.00 N ATOM 0 H ARG A 22 -15.427 23.364 0.162 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.549 22.537 2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.168 24.399 2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.388 23.205 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.759 23.805 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.042 22.206 4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.016 24.374 4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.075 24.442 5.508 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.189 21.716 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.195 24.897 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.958 24.269 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.597 20.930 6.488 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.623 22.048 7.448 1.00 0.00 H new ATOM 356 N MET A 23 -16.770 20.537 1.249 1.00 0.00 N ATOM 357 CA MET A 23 -17.301 19.185 1.293 1.00 0.00 C ATOM 358 C MET A 23 -16.137 18.206 1.300 1.00 0.00 C ATOM 359 O MET A 23 -16.104 17.266 2.089 1.00 0.00 O ATOM 360 CB MET A 23 -18.196 18.923 0.078 1.00 0.00 C ATOM 361 CG MET A 23 -19.441 19.810 0.155 1.00 0.00 C ATOM 362 SD MET A 23 -20.546 19.417 -1.225 1.00 0.00 S ATOM 363 CE MET A 23 -21.759 20.726 -0.927 1.00 0.00 C ATOM 0 H MET A 23 -17.095 21.103 0.465 1.00 0.00 H new ATOM 0 HA MET A 23 -17.902 19.058 2.194 1.00 0.00 H new ATOM 0 HB2 MET A 23 -17.647 19.128 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.487 17.873 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.955 19.652 1.103 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.155 20.861 0.118 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.547 20.670 -1.678 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.193 20.601 0.065 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.268 21.697 -0.988 1.00 0.00 H new ATOM 373 N TYR A 24 -15.161 18.468 0.432 1.00 0.00 N ATOM 374 CA TYR A 24 -13.975 17.629 0.354 1.00 0.00 C ATOM 375 C TYR A 24 -13.331 17.520 1.734 1.00 0.00 C ATOM 376 O TYR A 24 -12.908 16.441 2.139 1.00 0.00 O ATOM 377 CB TYR A 24 -12.993 18.213 -0.679 1.00 0.00 C ATOM 378 CG TYR A 24 -11.580 18.235 -0.136 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.917 17.036 0.155 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.932 19.460 0.070 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.610 17.063 0.652 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.624 19.485 0.565 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.964 18.287 0.857 1.00 0.00 C ATOM 384 OH TYR A 24 -7.674 18.315 1.340 1.00 0.00 O ATOM 0 H TYR A 24 -15.171 19.251 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.252 16.626 0.029 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.026 17.619 -1.593 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.299 19.225 -0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.415 16.091 -0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.442 20.385 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.099 16.139 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.124 20.429 0.722 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.617 18.951 2.084 1.00 0.00 H new ATOM 394 N MET A 25 -13.279 18.639 2.460 1.00 0.00 N ATOM 395 CA MET A 25 -12.703 18.637 3.802 1.00 0.00 C ATOM 396 C MET A 25 -13.440 17.634 4.685 1.00 0.00 C ATOM 397 O MET A 25 -12.825 16.890 5.448 1.00 0.00 O ATOM 398 CB MET A 25 -12.811 20.025 4.429 1.00 0.00 C ATOM 399 CG MET A 25 -11.950 21.020 3.648 1.00 0.00 C ATOM 400 SD MET A 25 -10.200 20.611 3.872 1.00 0.00 S ATOM 401 CE MET A 25 -10.097 21.003 5.637 1.00 0.00 C ATOM 0 H MET A 25 -13.624 19.546 2.145 1.00 0.00 H new ATOM 0 HA MET A 25 -11.653 18.357 3.724 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.850 20.353 4.430 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.487 19.989 5.469 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.209 20.989 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.144 22.035 3.994 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.079 21.305 5.884 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.783 21.817 5.870 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.366 20.123 6.221 1.00 0.00 H new ATOM 411 N ARG A 26 -14.765 17.611 4.573 1.00 0.00 N ATOM 412 CA ARG A 26 -15.551 16.673 5.368 1.00 0.00 C ATOM 413 C ARG A 26 -15.127 15.242 5.037 1.00 0.00 C ATOM 414 O ARG A 26 -14.832 14.433 5.929 1.00 0.00 O ATOM 415 CB ARG A 26 -17.043 16.857 5.075 1.00 0.00 C ATOM 416 CG ARG A 26 -17.869 16.001 6.041 1.00 0.00 C ATOM 417 CD ARG A 26 -19.356 16.124 5.693 1.00 0.00 C ATOM 418 NE ARG A 26 -19.794 17.509 5.832 1.00 0.00 N ATOM 419 CZ ARG A 26 -20.988 17.906 5.396 1.00 0.00 C ATOM 420 NH1 ARG A 26 -21.799 17.052 4.831 1.00 0.00 N ATOM 421 NH2 ARG A 26 -21.350 19.152 5.535 1.00 0.00 N ATOM 0 H ARG A 26 -15.307 18.215 3.955 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.375 16.865 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.317 17.907 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.259 16.572 4.045 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.555 14.959 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.697 16.325 7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.528 15.782 4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.944 15.482 6.348 1.00 0.00 H new ATOM 0 HE ARG A 26 -19.172 18.187 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -21.519 16.077 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -22.713 17.360 4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -20.719 19.820 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -22.264 19.458 5.202 1.00 0.00 H new ATOM 435 N GLN A 27 -15.056 14.953 3.737 1.00 0.00 N ATOM 436 CA GLN A 27 -14.628 13.642 3.276 1.00 0.00 C ATOM 437 C GLN A 27 -13.215 13.396 3.743 1.00 0.00 C ATOM 438 O GLN A 27 -12.834 12.276 4.049 1.00 0.00 O ATOM 439 CB GLN A 27 -14.678 13.551 1.746 1.00 0.00 C ATOM 440 CG GLN A 27 -15.986 12.884 1.308 1.00 0.00 C ATOM 441 CD GLN A 27 -17.145 13.864 1.444 1.00 0.00 C ATOM 442 OE1 GLN A 27 -16.914 15.073 1.868 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -18.290 13.517 1.154 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.289 15.609 2.992 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.303 12.891 3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.604 14.548 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.826 12.978 1.379 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.903 12.548 0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.174 12.000 1.917 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.467 12.569 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.062 14.178 1.246 1.00 0.00 H new ATOM 452 N GLN A 28 -12.446 14.471 3.796 1.00 0.00 N ATOM 453 CA GLN A 28 -11.073 14.390 4.220 1.00 0.00 C ATOM 454 C GLN A 28 -11.007 13.891 5.656 1.00 0.00 C ATOM 455 O GLN A 28 -10.131 13.100 6.006 1.00 0.00 O ATOM 456 CB GLN A 28 -10.439 15.769 4.067 1.00 0.00 C ATOM 457 CG GLN A 28 -9.224 15.912 4.990 1.00 0.00 C ATOM 458 CD GLN A 28 -9.663 16.359 6.384 1.00 0.00 C ATOM 459 OE1 GLN A 28 -10.404 17.333 6.521 1.00 0.00 O ATOM 460 NE2 GLN A 28 -9.247 15.701 7.431 1.00 0.00 N ATOM 0 H GLN A 28 -12.758 15.410 3.548 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.518 13.681 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.135 15.922 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.173 16.540 4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.696 14.961 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.525 16.637 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.633 14.894 7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.536 15.993 8.365 1.00 0.00 H new ATOM 469 N MET A 29 -11.954 14.336 6.483 1.00 0.00 N ATOM 470 CA MET A 29 -11.992 13.894 7.870 1.00 0.00 C ATOM 471 C MET A 29 -12.276 12.399 7.930 1.00 0.00 C ATOM 472 O MET A 29 -11.498 11.634 8.498 1.00 0.00 O ATOM 473 CB MET A 29 -13.077 14.641 8.651 1.00 0.00 C ATOM 474 CG MET A 29 -12.715 16.123 8.764 1.00 0.00 C ATOM 475 SD MET A 29 -13.784 16.914 9.996 1.00 0.00 S ATOM 476 CE MET A 29 -15.377 16.545 9.218 1.00 0.00 C ATOM 0 H MET A 29 -12.691 14.990 6.220 1.00 0.00 H new ATOM 0 HA MET A 29 -11.022 14.106 8.320 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.039 14.530 8.150 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.184 14.208 9.645 1.00 0.00 H new ATOM 0 HG2 MET A 29 -11.669 16.232 9.051 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.833 16.612 7.797 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.896 17.476 8.992 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.211 15.989 8.295 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.984 15.947 9.898 1.00 0.00 H new ATOM 486 N GLU A 30 -13.399 11.983 7.340 1.00 0.00 N ATOM 487 CA GLU A 30 -13.756 10.561 7.344 1.00 0.00 C ATOM 488 C GLU A 30 -12.765 9.739 6.515 1.00 0.00 C ATOM 489 O GLU A 30 -12.257 8.713 6.968 1.00 0.00 O ATOM 490 CB GLU A 30 -15.169 10.366 6.785 1.00 0.00 C ATOM 491 CG GLU A 30 -16.194 11.012 7.725 1.00 0.00 C ATOM 492 CD GLU A 30 -16.454 12.458 7.309 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.831 12.667 6.166 1.00 0.00 O ATOM 494 OE2 GLU A 30 -16.272 13.336 8.137 1.00 0.00 O ATOM 0 H GLU A 30 -14.063 12.593 6.864 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.720 10.214 8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.242 10.810 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.383 9.303 6.675 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.126 10.447 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.827 10.982 8.751 1.00 0.00 H new ATOM 501 N GLU A 31 -12.513 10.204 5.296 1.00 0.00 N ATOM 502 CA GLU A 31 -11.600 9.530 4.372 1.00 0.00 C ATOM 503 C GLU A 31 -10.148 9.619 4.852 1.00 0.00 C ATOM 504 O GLU A 31 -9.251 9.057 4.226 1.00 0.00 O ATOM 505 CB GLU A 31 -11.724 10.158 2.978 1.00 0.00 C ATOM 506 CG GLU A 31 -11.136 9.216 1.925 1.00 0.00 C ATOM 507 CD GLU A 31 -11.189 9.857 0.535 1.00 0.00 C ATOM 508 OE1 GLU A 31 -11.585 11.009 0.439 1.00 0.00 O ATOM 509 OE2 GLU A 31 -10.832 9.181 -0.415 1.00 0.00 O ATOM 0 H GLU A 31 -12.932 11.054 4.919 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.876 8.476 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.771 10.360 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.203 11.115 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.104 8.975 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.690 8.277 1.919 1.00 0.00 H new ATOM 516 N SER A 32 -9.924 10.345 5.949 1.00 0.00 N ATOM 517 CA SER A 32 -8.577 10.531 6.498 1.00 0.00 C ATOM 518 C SER A 32 -7.762 9.239 6.462 1.00 0.00 C ATOM 519 O SER A 32 -6.531 9.280 6.505 1.00 0.00 O ATOM 520 CB SER A 32 -8.666 11.031 7.942 1.00 0.00 C ATOM 521 OG SER A 32 -9.309 10.048 8.743 1.00 0.00 O ATOM 0 H SER A 32 -10.659 10.815 6.477 1.00 0.00 H new ATOM 0 HA SER A 32 -8.071 11.268 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.668 11.236 8.330 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.222 11.968 7.981 1.00 0.00 H new ATOM 0 HG SER A 32 -10.242 10.307 8.892 1.00 0.00 H new ATOM 527 N THR A 33 -8.440 8.099 6.389 1.00 0.00 N ATOM 528 CA THR A 33 -7.743 6.820 6.337 1.00 0.00 C ATOM 529 C THR A 33 -7.067 6.599 4.973 1.00 0.00 C ATOM 530 O THR A 33 -5.840 6.551 4.880 1.00 0.00 O ATOM 531 CB THR A 33 -8.734 5.683 6.609 1.00 0.00 C ATOM 532 OG1 THR A 33 -9.379 5.909 7.855 1.00 0.00 O ATOM 533 CG2 THR A 33 -7.989 4.346 6.655 1.00 0.00 C ATOM 0 H THR A 33 -9.458 8.034 6.365 1.00 0.00 H new ATOM 0 HA THR A 33 -6.966 6.829 7.101 1.00 0.00 H new ATOM 0 HB THR A 33 -9.477 5.653 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.015 5.184 8.031 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.698 3.541 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.494 4.172 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.244 4.372 7.450 1.00 0.00 H new ATOM 541 N TYR A 34 -7.887 6.434 3.926 1.00 0.00 N ATOM 542 CA TYR A 34 -7.381 6.178 2.568 1.00 0.00 C ATOM 543 C TYR A 34 -7.397 7.410 1.646 1.00 0.00 C ATOM 544 O TYR A 34 -7.110 7.280 0.456 1.00 0.00 O ATOM 545 CB TYR A 34 -8.166 5.023 1.930 1.00 0.00 C ATOM 546 CG TYR A 34 -9.578 5.453 1.595 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.574 5.412 2.577 1.00 0.00 C ATOM 548 CD2 TYR A 34 -9.893 5.875 0.297 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.883 5.795 2.263 1.00 0.00 C ATOM 550 CE2 TYR A 34 -11.201 6.254 -0.017 1.00 0.00 C ATOM 551 CZ TYR A 34 -12.197 6.215 0.965 1.00 0.00 C ATOM 552 OH TYR A 34 -13.488 6.590 0.655 1.00 0.00 O ATOM 0 H TYR A 34 -8.904 6.473 3.992 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.331 5.908 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.659 4.689 1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.192 4.174 2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.333 5.085 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.125 5.907 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.651 5.767 3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.443 6.577 -1.019 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.534 6.855 -0.287 1.00 0.00 H new ATOM 562 N GLN A 35 -7.771 8.581 2.173 1.00 0.00 N ATOM 563 CA GLN A 35 -7.854 9.811 1.357 1.00 0.00 C ATOM 564 C GLN A 35 -6.729 9.941 0.335 1.00 0.00 C ATOM 565 O GLN A 35 -6.835 10.754 -0.585 1.00 0.00 O ATOM 566 CB GLN A 35 -7.843 11.072 2.231 1.00 0.00 C ATOM 567 CG GLN A 35 -6.408 11.423 2.652 1.00 0.00 C ATOM 568 CD GLN A 35 -5.809 10.299 3.484 1.00 0.00 C ATOM 569 OE1 GLN A 35 -6.600 9.512 4.149 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -4.590 10.133 3.528 1.00 0.00 N flip ATOM 0 H GLN A 35 -8.021 8.709 3.154 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.800 9.722 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.281 11.906 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.459 10.914 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.795 11.596 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.407 12.349 3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.972 10.753 3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.198 9.376 4.088 1.00 0.00 H new ATOM 579 N THR A 36 -5.656 9.171 0.484 1.00 0.00 N ATOM 580 CA THR A 36 -4.562 9.278 -0.467 1.00 0.00 C ATOM 581 C THR A 36 -5.110 9.060 -1.871 1.00 0.00 C ATOM 582 O THR A 36 -5.493 7.949 -2.240 1.00 0.00 O ATOM 583 CB THR A 36 -3.486 8.233 -0.153 1.00 0.00 C ATOM 584 OG1 THR A 36 -3.095 8.357 1.208 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.270 8.457 -1.056 1.00 0.00 C ATOM 0 H THR A 36 -5.524 8.488 1.230 1.00 0.00 H new ATOM 0 HA THR A 36 -4.110 10.268 -0.398 1.00 0.00 H new ATOM 0 HB THR A 36 -3.886 7.235 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.408 7.689 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.507 7.712 -0.830 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.570 8.364 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.866 9.454 -0.882 1.00 0.00 H new ATOM 593 N MET A 37 -5.168 10.147 -2.632 1.00 0.00 N ATOM 594 CA MET A 37 -5.698 10.108 -3.991 1.00 0.00 C ATOM 595 C MET A 37 -4.949 9.098 -4.857 1.00 0.00 C ATOM 596 O MET A 37 -3.763 9.270 -5.142 1.00 0.00 O ATOM 597 CB MET A 37 -5.589 11.494 -4.629 1.00 0.00 C ATOM 598 CG MET A 37 -6.356 12.517 -3.788 1.00 0.00 C ATOM 599 SD MET A 37 -6.995 13.818 -4.871 1.00 0.00 S ATOM 600 CE MET A 37 -5.567 14.928 -4.769 1.00 0.00 C ATOM 0 H MET A 37 -4.854 11.069 -2.330 1.00 0.00 H new ATOM 0 HA MET A 37 -6.742 9.802 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.542 11.786 -4.707 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.990 11.470 -5.642 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.177 12.030 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.701 12.947 -3.030 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.844 15.913 -5.145 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.245 15.013 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.751 14.527 -5.370 1.00 0.00 H new ATOM 610 N PRO A 38 -5.626 8.065 -5.297 1.00 0.00 N ATOM 611 CA PRO A 38 -5.030 7.022 -6.170 1.00 0.00 C ATOM 612 C PRO A 38 -5.064 7.446 -7.635 1.00 0.00 C ATOM 613 O PRO A 38 -5.943 8.205 -8.044 1.00 0.00 O ATOM 614 CB PRO A 38 -5.929 5.812 -5.928 1.00 0.00 C ATOM 615 CG PRO A 38 -7.274 6.381 -5.604 1.00 0.00 C ATOM 616 CD PRO A 38 -7.042 7.775 -5.006 1.00 0.00 C ATOM 0 HA PRO A 38 -3.981 6.827 -5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.974 5.172 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.553 5.200 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.892 6.444 -6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.803 5.742 -4.897 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.701 8.516 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.238 7.786 -3.934 1.00 0.00 H new ATOM 624 N ARG A 39 -4.114 6.955 -8.425 1.00 0.00 N ATOM 625 CA ARG A 39 -4.071 7.303 -9.842 1.00 0.00 C ATOM 626 C ARG A 39 -5.349 6.845 -10.516 1.00 0.00 C ATOM 627 O ARG A 39 -5.890 7.531 -11.384 1.00 0.00 O ATOM 628 CB ARG A 39 -2.904 6.612 -10.540 1.00 0.00 C ATOM 629 CG ARG A 39 -1.628 6.724 -9.695 1.00 0.00 C ATOM 630 CD ARG A 39 -1.001 8.112 -9.874 1.00 0.00 C ATOM 631 NE ARG A 39 -1.892 9.148 -9.354 1.00 0.00 N ATOM 632 CZ ARG A 39 -2.096 9.301 -8.047 1.00 0.00 C ATOM 633 NH1 ARG A 39 -1.490 8.525 -7.189 1.00 0.00 N ATOM 634 NH2 ARG A 39 -2.905 10.232 -7.622 1.00 0.00 N ATOM 0 H ARG A 39 -3.374 6.325 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.954 8.384 -9.916 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.144 5.562 -10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.740 7.063 -11.519 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.862 6.554 -8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.917 5.953 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.043 8.154 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.800 8.293 -10.930 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.369 9.769 -10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.856 7.797 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.650 8.647 -6.189 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.379 10.840 -8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.064 10.352 -6.622 1.00 0.00 H new ATOM 648 N ARG A 40 -5.821 5.668 -10.111 1.00 0.00 N ATOM 649 CA ARG A 40 -7.032 5.120 -10.689 1.00 0.00 C ATOM 650 C ARG A 40 -8.244 5.839 -10.135 1.00 0.00 C ATOM 651 O ARG A 40 -8.712 5.560 -9.030 1.00 0.00 O ATOM 652 CB ARG A 40 -7.128 3.623 -10.393 1.00 0.00 C ATOM 653 CG ARG A 40 -5.985 2.895 -11.101 1.00 0.00 C ATOM 654 CD ARG A 40 -6.231 2.883 -12.614 1.00 0.00 C ATOM 655 NE ARG A 40 -5.189 2.114 -13.288 1.00 0.00 N ATOM 656 CZ ARG A 40 -3.973 2.620 -13.491 1.00 0.00 C ATOM 657 NH1 ARG A 40 -3.688 3.830 -13.087 1.00 0.00 N ATOM 658 NH2 ARG A 40 -3.064 1.906 -14.097 1.00 0.00 N ATOM 0 H ARG A 40 -5.386 5.087 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.001 5.262 -11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.075 3.449 -9.318 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.088 3.234 -10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.038 3.388 -10.882 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.907 1.874 -10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.208 2.450 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.244 3.904 -12.996 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.396 1.169 -13.611 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.397 4.390 -12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.756 4.214 -13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.285 0.962 -14.414 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.133 2.292 -14.253 1.00 0.00 H new ATOM 672 N GLY A 41 -8.737 6.761 -10.935 1.00 0.00 N ATOM 673 CA GLY A 41 -9.913 7.551 -10.571 1.00 0.00 C ATOM 674 C GLY A 41 -9.710 8.281 -9.243 1.00 0.00 C ATOM 675 O GLY A 41 -10.106 7.785 -8.187 1.00 0.00 O ATOM 0 H GLY A 41 -8.345 6.989 -11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.123 8.276 -11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.783 6.898 -10.499 1.00 0.00 H new ATOM 679 N MET A 42 -9.095 9.461 -9.308 1.00 0.00 N ATOM 680 CA MET A 42 -8.846 10.263 -8.108 1.00 0.00 C ATOM 681 C MET A 42 -10.157 10.575 -7.380 1.00 0.00 C ATOM 682 O MET A 42 -11.236 10.189 -7.832 1.00 0.00 O ATOM 683 CB MET A 42 -8.151 11.572 -8.492 1.00 0.00 C ATOM 684 CG MET A 42 -6.763 11.268 -9.066 1.00 0.00 C ATOM 685 SD MET A 42 -5.876 12.819 -9.367 1.00 0.00 S ATOM 686 CE MET A 42 -7.014 13.509 -10.593 1.00 0.00 C ATOM 0 H MET A 42 -8.761 9.883 -10.174 1.00 0.00 H new ATOM 0 HA MET A 42 -8.204 9.689 -7.440 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.749 12.111 -9.226 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.061 12.218 -7.618 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.200 10.644 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.858 10.705 -9.995 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.483 14.227 -11.218 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.408 12.706 -11.216 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.837 14.010 -10.084 1.00 0.00 H new ATOM 696 N GLU A 43 -10.054 11.276 -6.250 1.00 0.00 N ATOM 697 CA GLU A 43 -11.238 11.631 -5.469 1.00 0.00 C ATOM 698 C GLU A 43 -12.087 12.659 -6.221 1.00 0.00 C ATOM 699 O GLU A 43 -11.624 13.763 -6.511 1.00 0.00 O ATOM 700 CB GLU A 43 -10.813 12.209 -4.113 1.00 0.00 C ATOM 701 CG GLU A 43 -10.908 11.123 -3.032 1.00 0.00 C ATOM 702 CD GLU A 43 -9.601 11.048 -2.245 1.00 0.00 C ATOM 703 OE1 GLU A 43 -9.413 11.873 -1.366 1.00 0.00 O ATOM 704 OE2 GLU A 43 -8.812 10.163 -2.530 1.00 0.00 O ATOM 0 H GLU A 43 -9.172 11.606 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.832 10.731 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.793 12.588 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.451 13.053 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.735 11.342 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.120 10.158 -3.493 1.00 0.00 H new ATOM 711 N PRO A 44 -13.314 12.314 -6.543 1.00 0.00 N ATOM 712 CA PRO A 44 -14.242 13.224 -7.284 1.00 0.00 C ATOM 713 C PRO A 44 -14.505 14.532 -6.540 1.00 0.00 C ATOM 714 O PRO A 44 -14.642 15.587 -7.159 1.00 0.00 O ATOM 715 CB PRO A 44 -15.540 12.415 -7.420 1.00 0.00 C ATOM 716 CG PRO A 44 -15.167 10.993 -7.160 1.00 0.00 C ATOM 717 CD PRO A 44 -13.947 11.022 -6.242 1.00 0.00 C ATOM 0 HA PRO A 44 -13.816 13.523 -8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.290 12.758 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.969 12.530 -8.415 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.992 10.456 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.938 10.476 -8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.234 10.952 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.273 10.189 -6.445 1.00 0.00 H new ATOM 725 N HIS A 45 -14.583 14.456 -5.212 1.00 0.00 N ATOM 726 CA HIS A 45 -14.840 15.644 -4.401 1.00 0.00 C ATOM 727 C HIS A 45 -13.851 16.753 -4.744 1.00 0.00 C ATOM 728 O HIS A 45 -14.238 17.903 -4.956 1.00 0.00 O ATOM 729 CB HIS A 45 -14.717 15.295 -2.915 1.00 0.00 C ATOM 730 CG HIS A 45 -15.707 14.217 -2.573 1.00 0.00 C ATOM 731 ND1 HIS A 45 -15.383 12.871 -2.642 1.00 0.00 N ATOM 732 CD2 HIS A 45 -17.016 14.266 -2.167 1.00 0.00 C ATOM 733 CE1 HIS A 45 -16.475 12.172 -2.288 1.00 0.00 C ATOM 734 NE2 HIS A 45 -17.500 12.974 -1.988 1.00 0.00 N ATOM 0 H HIS A 45 -14.473 13.593 -4.680 1.00 0.00 H new ATOM 0 HA HIS A 45 -15.850 15.994 -4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -13.705 14.959 -2.691 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -14.901 16.180 -2.306 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.585 15.170 -2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.518 11.094 -2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -18.436 12.699 -1.691 1.00 0.00 H new ATOM 742 N MET A 46 -12.571 16.394 -4.803 1.00 0.00 N ATOM 743 CA MET A 46 -11.525 17.356 -5.129 1.00 0.00 C ATOM 744 C MET A 46 -11.681 17.853 -6.566 1.00 0.00 C ATOM 745 O MET A 46 -11.451 19.027 -6.856 1.00 0.00 O ATOM 746 CB MET A 46 -10.152 16.700 -4.961 1.00 0.00 C ATOM 747 CG MET A 46 -9.948 16.302 -3.497 1.00 0.00 C ATOM 748 SD MET A 46 -8.274 15.645 -3.281 1.00 0.00 S ATOM 749 CE MET A 46 -8.464 15.053 -1.583 1.00 0.00 C ATOM 0 H MET A 46 -12.235 15.447 -4.630 1.00 0.00 H new ATOM 0 HA MET A 46 -11.611 18.206 -4.453 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.077 15.821 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.368 17.389 -5.273 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.098 17.166 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.685 15.553 -3.206 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.973 14.085 -1.478 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.010 15.767 -0.896 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.524 14.949 -1.350 1.00 0.00 H new ATOM 759 N SER A 47 -12.070 16.941 -7.456 1.00 0.00 N ATOM 760 CA SER A 47 -12.251 17.271 -8.868 1.00 0.00 C ATOM 761 C SER A 47 -13.254 18.408 -9.054 1.00 0.00 C ATOM 762 O SER A 47 -13.126 19.205 -9.982 1.00 0.00 O ATOM 763 CB SER A 47 -12.734 16.037 -9.632 1.00 0.00 C ATOM 764 OG SER A 47 -12.703 16.306 -11.028 1.00 0.00 O ATOM 0 H SER A 47 -12.266 15.967 -7.224 1.00 0.00 H new ATOM 0 HA SER A 47 -11.288 17.598 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.100 15.181 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.746 15.777 -9.323 1.00 0.00 H new ATOM 0 HG SER A 47 -13.011 15.516 -11.520 1.00 0.00 H new ATOM 770 N GLU A 48 -14.257 18.469 -8.181 1.00 0.00 N ATOM 771 CA GLU A 48 -15.280 19.509 -8.278 1.00 0.00 C ATOM 772 C GLU A 48 -14.655 20.901 -8.186 1.00 0.00 C ATOM 773 O GLU A 48 -15.050 21.817 -8.907 1.00 0.00 O ATOM 774 CB GLU A 48 -16.307 19.330 -7.157 1.00 0.00 C ATOM 775 CG GLU A 48 -17.045 17.999 -7.349 1.00 0.00 C ATOM 776 CD GLU A 48 -18.101 17.798 -6.259 1.00 0.00 C ATOM 777 OE1 GLU A 48 -18.057 18.511 -5.268 1.00 0.00 O ATOM 778 OE2 GLU A 48 -18.940 16.930 -6.432 1.00 0.00 O ATOM 0 H GLU A 48 -14.384 17.818 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.773 19.416 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.810 19.346 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.017 20.157 -7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.521 17.980 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.331 17.176 -7.325 1.00 0.00 H new ATOM 785 N CYS A 49 -13.672 21.050 -7.303 1.00 0.00 N ATOM 786 CA CYS A 49 -12.990 22.331 -7.138 1.00 0.00 C ATOM 787 C CYS A 49 -12.115 22.650 -8.355 1.00 0.00 C ATOM 788 O CYS A 49 -11.883 23.815 -8.670 1.00 0.00 O ATOM 789 CB CYS A 49 -12.117 22.300 -5.877 1.00 0.00 C ATOM 790 SG CYS A 49 -13.144 22.534 -4.403 1.00 0.00 S ATOM 0 H CYS A 49 -13.331 20.306 -6.694 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.749 23.108 -7.042 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.589 21.349 -5.814 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.360 23.082 -5.930 1.00 0.00 H new ATOM 795 N CYS A 50 -11.612 21.601 -9.008 1.00 0.00 N ATOM 796 CA CYS A 50 -10.721 21.749 -10.167 1.00 0.00 C ATOM 797 C CYS A 50 -11.261 22.697 -11.240 1.00 0.00 C ATOM 798 O CYS A 50 -10.514 23.519 -11.770 1.00 0.00 O ATOM 799 CB CYS A 50 -10.473 20.382 -10.806 1.00 0.00 C ATOM 800 SG CYS A 50 -9.163 20.523 -12.047 1.00 0.00 S ATOM 0 H CYS A 50 -11.806 20.632 -8.754 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.798 22.184 -9.784 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -10.188 19.658 -10.042 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.389 20.014 -11.269 1.00 0.00 H new ATOM 805 N GLU A 51 -12.537 22.562 -11.586 1.00 0.00 N ATOM 806 CA GLU A 51 -13.122 23.403 -12.634 1.00 0.00 C ATOM 807 C GLU A 51 -12.993 24.893 -12.315 1.00 0.00 C ATOM 808 O GLU A 51 -12.813 25.708 -13.221 1.00 0.00 O ATOM 809 CB GLU A 51 -14.599 23.046 -12.834 1.00 0.00 C ATOM 810 CG GLU A 51 -14.710 21.661 -13.487 1.00 0.00 C ATOM 811 CD GLU A 51 -14.504 20.554 -12.452 1.00 0.00 C ATOM 812 OE1 GLU A 51 -14.902 20.743 -11.317 1.00 0.00 O ATOM 813 OE2 GLU A 51 -13.963 19.523 -12.820 1.00 0.00 O ATOM 0 H GLU A 51 -13.180 21.891 -11.166 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.567 23.209 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.118 23.050 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.083 23.795 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.689 21.551 -13.953 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.967 21.567 -14.279 1.00 0.00 H new ATOM 820 N GLN A 52 -13.097 25.246 -11.039 1.00 0.00 N ATOM 821 CA GLN A 52 -13.000 26.648 -10.635 1.00 0.00 C ATOM 822 C GLN A 52 -11.668 27.271 -11.047 1.00 0.00 C ATOM 823 O GLN A 52 -11.631 28.220 -11.830 1.00 0.00 O ATOM 824 CB GLN A 52 -13.169 26.761 -9.119 1.00 0.00 C ATOM 825 CG GLN A 52 -14.646 26.960 -8.794 1.00 0.00 C ATOM 826 CD GLN A 52 -15.420 25.672 -9.056 1.00 0.00 C ATOM 827 OE1 GLN A 52 -15.218 24.674 -8.364 1.00 0.00 O ATOM 828 NE2 GLN A 52 -16.295 25.631 -10.022 1.00 0.00 N ATOM 0 H GLN A 52 -13.247 24.591 -10.272 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.795 27.193 -11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.795 25.861 -8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.584 27.598 -8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.760 27.256 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.054 27.768 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.462 26.458 -10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.813 24.771 -10.205 1.00 0.00 H new ATOM 837 N LEU A 53 -10.581 26.736 -10.501 1.00 0.00 N ATOM 838 CA LEU A 53 -9.242 27.246 -10.800 1.00 0.00 C ATOM 839 C LEU A 53 -8.982 27.161 -12.286 1.00 0.00 C ATOM 840 O LEU A 53 -8.587 28.129 -12.936 1.00 0.00 O ATOM 841 CB LEU A 53 -8.178 26.396 -10.096 1.00 0.00 C ATOM 842 CG LEU A 53 -8.661 25.891 -8.724 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.726 26.823 -8.112 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.244 24.487 -8.912 1.00 0.00 C ATOM 0 H LEU A 53 -10.598 25.951 -9.850 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.190 28.279 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.919 25.545 -10.725 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.270 26.985 -9.967 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.816 25.873 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.040 26.431 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.305 27.820 -7.980 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.587 26.878 -8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.594 24.107 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.079 24.530 -9.611 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.475 23.823 -9.307 1.00 0.00 H new ATOM 856 N GLU A 54 -9.212 25.968 -12.793 1.00 0.00 N ATOM 857 CA GLU A 54 -9.026 25.660 -14.190 1.00 0.00 C ATOM 858 C GLU A 54 -9.785 26.646 -15.078 1.00 0.00 C ATOM 859 O GLU A 54 -9.350 26.953 -16.190 1.00 0.00 O ATOM 860 CB GLU A 54 -9.493 24.226 -14.399 1.00 0.00 C ATOM 861 CG GLU A 54 -9.312 23.809 -15.864 1.00 0.00 C ATOM 862 CD GLU A 54 -9.857 22.397 -16.092 1.00 0.00 C ATOM 863 OE1 GLU A 54 -10.380 21.815 -15.152 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.744 21.917 -17.208 1.00 0.00 O ATOM 0 H GLU A 54 -9.537 25.177 -12.237 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.977 25.754 -14.472 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.928 23.555 -13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.541 24.134 -14.116 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.829 24.514 -16.515 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.256 23.845 -16.130 1.00 0.00 H new ATOM 871 N GLY A 55 -10.911 27.150 -14.575 1.00 0.00 N ATOM 872 CA GLY A 55 -11.714 28.114 -15.324 1.00 0.00 C ATOM 873 C GLY A 55 -11.298 29.548 -14.994 1.00 0.00 C ATOM 874 O GLY A 55 -11.675 30.490 -15.692 1.00 0.00 O ATOM 0 H GLY A 55 -11.286 26.908 -13.658 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.599 27.935 -16.393 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.769 27.974 -15.089 1.00 0.00 H new ATOM 878 N MET A 56 -10.520 29.703 -13.923 1.00 0.00 N ATOM 879 CA MET A 56 -10.052 31.022 -13.493 1.00 0.00 C ATOM 880 C MET A 56 -8.769 31.416 -14.221 1.00 0.00 C ATOM 881 O MET A 56 -7.974 30.557 -14.607 1.00 0.00 O ATOM 882 CB MET A 56 -9.810 31.015 -11.980 1.00 0.00 C ATOM 883 CG MET A 56 -9.092 32.302 -11.561 1.00 0.00 C ATOM 884 SD MET A 56 -8.976 32.373 -9.759 1.00 0.00 S ATOM 885 CE MET A 56 -10.721 32.729 -9.438 1.00 0.00 C ATOM 0 H MET A 56 -10.200 28.932 -13.337 1.00 0.00 H new ATOM 0 HA MET A 56 -10.820 31.755 -13.739 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.759 30.929 -11.451 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.211 30.147 -11.703 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.095 32.334 -12.001 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.634 33.171 -11.935 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.810 33.697 -8.946 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.268 32.750 -10.381 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.138 31.955 -8.794 1.00 0.00 H new ATOM 895 N ASP A 57 -8.576 32.726 -14.399 1.00 0.00 N ATOM 896 CA ASP A 57 -7.385 33.238 -15.076 1.00 0.00 C ATOM 897 C ASP A 57 -6.116 32.685 -14.429 1.00 0.00 C ATOM 898 O ASP A 57 -6.061 32.492 -13.214 1.00 0.00 O ATOM 899 CB ASP A 57 -7.367 34.769 -15.014 1.00 0.00 C ATOM 900 CG ASP A 57 -8.548 35.357 -15.792 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.170 34.626 -16.547 1.00 0.00 O ATOM 902 OD2 ASP A 57 -8.813 36.535 -15.621 1.00 0.00 O ATOM 0 H ASP A 57 -9.226 33.446 -14.085 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.416 32.916 -16.117 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.411 35.096 -13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.430 35.144 -15.427 1.00 0.00 H new ATOM 907 N GLU A 58 -5.104 32.425 -15.253 1.00 0.00 N ATOM 908 CA GLU A 58 -3.839 31.884 -14.758 1.00 0.00 C ATOM 909 C GLU A 58 -3.233 32.755 -13.659 1.00 0.00 C ATOM 910 O GLU A 58 -2.948 32.273 -12.564 1.00 0.00 O ATOM 911 CB GLU A 58 -2.841 31.770 -15.909 1.00 0.00 C ATOM 912 CG GLU A 58 -1.478 31.367 -15.348 1.00 0.00 C ATOM 913 CD GLU A 58 -0.450 31.280 -16.473 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.638 30.466 -17.362 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.514 32.029 -16.427 1.00 0.00 O ATOM 0 H GLU A 58 -5.133 32.579 -16.261 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.049 30.902 -14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.184 31.030 -16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.765 32.721 -16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.153 32.095 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.555 30.405 -14.841 1.00 0.00 H new ATOM 922 N SER A 59 -3.027 34.032 -13.963 1.00 0.00 N ATOM 923 CA SER A 59 -2.443 34.954 -12.992 1.00 0.00 C ATOM 924 C SER A 59 -3.257 34.956 -11.706 1.00 0.00 C ATOM 925 O SER A 59 -2.717 35.109 -10.610 1.00 0.00 O ATOM 926 CB SER A 59 -2.402 36.367 -13.575 1.00 0.00 C ATOM 927 OG SER A 59 -1.639 36.357 -14.775 1.00 0.00 O ATOM 0 H SER A 59 -3.253 34.451 -14.865 1.00 0.00 H new ATOM 0 HA SER A 59 -1.428 34.625 -12.767 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.414 36.719 -13.776 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.961 37.057 -12.856 1.00 0.00 H new ATOM 0 HG SER A 59 -1.612 37.261 -15.153 1.00 0.00 H new ATOM 933 N CYS A 60 -4.561 34.783 -11.861 1.00 0.00 N ATOM 934 CA CYS A 60 -5.475 34.761 -10.724 1.00 0.00 C ATOM 935 C CYS A 60 -5.354 33.453 -9.953 1.00 0.00 C ATOM 936 O CYS A 60 -5.674 33.387 -8.764 1.00 0.00 O ATOM 937 CB CYS A 60 -6.911 34.952 -11.210 1.00 0.00 C ATOM 938 SG CYS A 60 -7.038 36.535 -12.076 1.00 0.00 S ATOM 0 H CYS A 60 -5.013 34.655 -12.766 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.209 35.577 -10.052 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.195 34.136 -11.875 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.600 34.929 -10.366 1.00 0.00 H new ATOM 943 N ARG A 61 -4.907 32.409 -10.645 1.00 0.00 N ATOM 944 CA ARG A 61 -4.765 31.094 -10.033 1.00 0.00 C ATOM 945 C ARG A 61 -3.762 31.131 -8.881 1.00 0.00 C ATOM 946 O ARG A 61 -3.971 30.489 -7.851 1.00 0.00 O ATOM 947 CB ARG A 61 -4.294 30.088 -11.088 1.00 0.00 C ATOM 948 CG ARG A 61 -4.399 28.661 -10.540 1.00 0.00 C ATOM 949 CD ARG A 61 -3.776 27.686 -11.543 1.00 0.00 C ATOM 950 NE ARG A 61 -4.374 27.869 -12.863 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.499 27.248 -13.213 1.00 0.00 C ATOM 952 NH1 ARG A 61 -6.089 26.434 -12.381 1.00 0.00 N ATOM 953 NH2 ARG A 61 -6.011 27.455 -14.395 1.00 0.00 N ATOM 0 H ARG A 61 -4.638 32.449 -11.628 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.734 30.792 -9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.899 30.185 -11.990 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.263 30.302 -11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.888 28.589 -9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.443 28.402 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.699 27.848 -11.598 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.927 26.660 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.919 28.488 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.689 26.271 -11.457 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.950 25.961 -12.655 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.550 28.090 -15.046 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.872 26.982 -14.668 1.00 0.00 H new ATOM 967 N CYS A 62 -2.675 31.884 -9.057 1.00 0.00 N ATOM 968 CA CYS A 62 -1.657 31.986 -8.014 1.00 0.00 C ATOM 969 C CYS A 62 -2.286 32.470 -6.707 1.00 0.00 C ATOM 970 O CYS A 62 -2.232 31.785 -5.685 1.00 0.00 O ATOM 971 CB CYS A 62 -0.550 32.962 -8.441 1.00 0.00 C ATOM 972 SG CYS A 62 -0.432 33.013 -10.251 1.00 0.00 S ATOM 0 H CYS A 62 -2.479 32.424 -9.900 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.223 30.998 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.763 33.958 -8.054 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.404 32.652 -8.015 1.00 0.00 H new ATOM 977 N GLU A 63 -2.894 33.654 -6.762 1.00 0.00 N ATOM 978 CA GLU A 63 -3.551 34.240 -5.594 1.00 0.00 C ATOM 979 C GLU A 63 -4.640 33.318 -5.050 1.00 0.00 C ATOM 980 O GLU A 63 -4.860 33.247 -3.840 1.00 0.00 O ATOM 981 CB GLU A 63 -4.170 35.586 -5.981 1.00 0.00 C ATOM 982 CG GLU A 63 -4.758 36.271 -4.740 1.00 0.00 C ATOM 983 CD GLU A 63 -5.469 37.570 -5.128 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.578 37.842 -6.315 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.901 38.273 -4.230 1.00 0.00 O ATOM 0 H GLU A 63 -2.945 34.227 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.802 34.381 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.414 36.226 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.950 35.435 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.460 35.600 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.964 36.484 -4.025 1.00 0.00 H new ATOM 992 N GLY A 64 -5.333 32.635 -5.957 1.00 0.00 N ATOM 993 CA GLY A 64 -6.421 31.742 -5.574 1.00 0.00 C ATOM 994 C GLY A 64 -5.987 30.720 -4.528 1.00 0.00 C ATOM 995 O GLY A 64 -6.720 30.454 -3.578 1.00 0.00 O ATOM 0 H GLY A 64 -5.160 32.683 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.251 32.330 -5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.789 31.221 -6.458 1.00 0.00 H new ATOM 999 N LEU A 65 -4.803 30.140 -4.709 1.00 0.00 N ATOM 1000 CA LEU A 65 -4.304 29.139 -3.767 1.00 0.00 C ATOM 1001 C LEU A 65 -4.259 29.684 -2.341 1.00 0.00 C ATOM 1002 O LEU A 65 -4.818 29.080 -1.424 1.00 0.00 O ATOM 1003 CB LEU A 65 -2.906 28.675 -4.187 1.00 0.00 C ATOM 1004 CG LEU A 65 -2.973 28.015 -5.569 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -1.593 27.473 -5.947 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -3.984 26.861 -5.538 1.00 0.00 C ATOM 0 H LEU A 65 -4.177 30.342 -5.489 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.992 28.294 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.223 29.524 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.512 27.970 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.287 28.754 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.643 27.004 -6.930 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.875 28.292 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.277 26.736 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.031 26.392 -6.521 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.672 26.123 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.968 27.247 -5.272 1.00 0.00 H new ATOM 1018 N ARG A 66 -3.594 30.822 -2.160 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.491 31.429 -0.835 1.00 0.00 C ATOM 1020 C ARG A 66 -4.876 31.743 -0.274 1.00 0.00 C ATOM 1021 O ARG A 66 -5.202 31.366 0.853 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.664 32.718 -0.912 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.178 32.377 -1.081 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.855 32.150 -2.560 1.00 0.00 C ATOM 1025 NE ARG A 66 0.570 31.880 -2.729 1.00 0.00 N ATOM 1026 CZ ARG A 66 1.051 31.349 -3.851 1.00 0.00 C ATOM 1027 NH1 ARG A 66 0.246 31.059 -4.839 1.00 0.00 N ATOM 1028 NH2 ARG A 66 2.330 31.120 -3.967 1.00 0.00 N ATOM 0 H ARG A 66 -3.123 31.338 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.998 30.719 -0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.003 33.328 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.810 33.308 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.564 33.187 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.934 31.483 -0.506 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.439 31.313 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.138 33.028 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 66 1.212 32.104 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.754 31.239 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.618 30.652 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.961 31.348 -3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.699 30.713 -4.826 1.00 0.00 H new ATOM 1042 N MET A 67 -5.682 32.431 -1.076 1.00 0.00 N ATOM 1043 CA MET A 67 -7.036 32.800 -0.673 1.00 0.00 C ATOM 1044 C MET A 67 -7.887 31.567 -0.373 1.00 0.00 C ATOM 1045 O MET A 67 -8.674 31.560 0.574 1.00 0.00 O ATOM 1046 CB MET A 67 -7.693 33.626 -1.786 1.00 0.00 C ATOM 1047 CG MET A 67 -9.218 33.534 -1.673 1.00 0.00 C ATOM 1048 SD MET A 67 -9.986 34.773 -2.748 1.00 0.00 S ATOM 1049 CE MET A 67 -9.471 36.243 -1.825 1.00 0.00 C ATOM 0 H MET A 67 -5.421 32.745 -2.011 1.00 0.00 H new ATOM 0 HA MET A 67 -6.970 33.391 0.240 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.376 34.667 -1.714 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.369 33.261 -2.761 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.554 32.536 -1.955 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.526 33.694 -0.640 1.00 0.00 H new ATOM 0 HE1 MET A 67 -10.335 36.885 -1.652 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.046 35.941 -0.868 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.722 36.789 -2.399 1.00 0.00 H new ATOM 1059 N MET A 68 -7.739 30.543 -1.203 1.00 0.00 N ATOM 1060 CA MET A 68 -8.513 29.317 -1.049 1.00 0.00 C ATOM 1061 C MET A 68 -8.347 28.717 0.343 1.00 0.00 C ATOM 1062 O MET A 68 -9.310 28.645 1.103 1.00 0.00 O ATOM 1063 CB MET A 68 -8.073 28.310 -2.117 1.00 0.00 C ATOM 1064 CG MET A 68 -8.616 26.907 -1.806 1.00 0.00 C ATOM 1065 SD MET A 68 -10.029 26.557 -2.876 1.00 0.00 S ATOM 1066 CE MET A 68 -11.170 27.738 -2.120 1.00 0.00 C ATOM 0 H MET A 68 -7.090 30.536 -1.990 1.00 0.00 H new ATOM 0 HA MET A 68 -9.569 29.556 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.429 28.633 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.985 28.280 -2.167 1.00 0.00 H new ATOM 0 HG2 MET A 68 -7.836 26.161 -1.960 1.00 0.00 H new ATOM 0 HG3 MET A 68 -8.914 26.845 -0.760 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.164 27.608 -2.548 1.00 0.00 H new ATOM 0 HE2 MET A 68 -11.212 27.566 -1.045 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.823 28.753 -2.311 1.00 0.00 H new ATOM 1076 N MET A 69 -7.132 28.281 0.666 1.00 0.00 N ATOM 1077 CA MET A 69 -6.868 27.667 1.966 1.00 0.00 C ATOM 1078 C MET A 69 -7.499 28.480 3.093 1.00 0.00 C ATOM 1079 O MET A 69 -8.112 27.919 4.004 1.00 0.00 O ATOM 1080 CB MET A 69 -5.356 27.563 2.191 1.00 0.00 C ATOM 1081 CG MET A 69 -5.075 26.751 3.459 1.00 0.00 C ATOM 1082 SD MET A 69 -3.293 26.730 3.783 1.00 0.00 S ATOM 1083 CE MET A 69 -3.144 28.429 4.389 1.00 0.00 C ATOM 0 H MET A 69 -6.320 28.340 0.051 1.00 0.00 H new ATOM 0 HA MET A 69 -7.310 26.671 1.971 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.883 27.088 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.923 28.559 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.604 27.186 4.307 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.446 25.733 3.341 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.557 28.438 5.307 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.649 29.042 3.636 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.137 28.832 4.590 1.00 0.00 H new ATOM 1093 N ARG A 70 -7.350 29.797 3.025 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.913 30.676 4.044 1.00 0.00 C ATOM 1095 C ARG A 70 -9.432 30.509 4.143 1.00 0.00 C ATOM 1096 O ARG A 70 -9.981 30.412 5.242 1.00 0.00 O ATOM 1097 CB ARG A 70 -7.579 32.133 3.709 1.00 0.00 C ATOM 1098 CG ARG A 70 -8.041 33.048 4.848 1.00 0.00 C ATOM 1099 CD ARG A 70 -7.695 34.499 4.509 1.00 0.00 C ATOM 1100 NE ARG A 70 -8.517 34.966 3.395 1.00 0.00 N ATOM 1101 CZ ARG A 70 -8.202 36.066 2.714 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -7.141 36.758 3.033 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -8.958 36.455 1.724 1.00 0.00 N ATOM 0 H ARG A 70 -6.847 30.279 2.280 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.476 30.406 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.506 32.243 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.066 32.422 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.116 32.945 4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.559 32.757 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.857 35.133 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.639 34.578 4.250 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.350 34.438 3.133 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.549 36.456 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.904 37.600 2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.788 35.917 1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.719 37.297 1.200 1.00 0.00 H new ATOM 1117 N MET A 71 -10.102 30.484 2.991 1.00 0.00 N ATOM 1118 CA MET A 71 -11.552 30.337 2.955 1.00 0.00 C ATOM 1119 C MET A 71 -11.981 28.962 3.439 1.00 0.00 C ATOM 1120 O MET A 71 -13.036 28.812 4.055 1.00 0.00 O ATOM 1121 CB MET A 71 -12.077 30.572 1.536 1.00 0.00 C ATOM 1122 CG MET A 71 -11.908 32.049 1.165 1.00 0.00 C ATOM 1123 SD MET A 71 -12.775 32.392 -0.388 1.00 0.00 S ATOM 1124 CE MET A 71 -11.850 31.244 -1.437 1.00 0.00 C ATOM 0 H MET A 71 -9.663 30.564 2.074 1.00 0.00 H new ATOM 0 HA MET A 71 -11.976 31.084 3.625 1.00 0.00 H new ATOM 0 HB2 MET A 71 -11.536 29.944 0.828 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.128 30.289 1.474 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.303 32.681 1.960 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.850 32.289 1.063 1.00 0.00 H new ATOM 0 HE1 MET A 71 -11.785 31.647 -2.448 1.00 0.00 H new ATOM 0 HE2 MET A 71 -10.846 31.111 -1.034 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.361 30.282 -1.462 1.00 0.00 H new ATOM 1134 N MET A 72 -11.175 27.953 3.127 1.00 0.00 N ATOM 1135 CA MET A 72 -11.509 26.590 3.511 1.00 0.00 C ATOM 1136 C MET A 72 -11.722 26.479 5.016 1.00 0.00 C ATOM 1137 O MET A 72 -12.810 26.139 5.473 1.00 0.00 O ATOM 1138 CB MET A 72 -10.393 25.630 3.089 1.00 0.00 C ATOM 1139 CG MET A 72 -10.186 25.711 1.577 1.00 0.00 C ATOM 1140 SD MET A 72 -9.178 24.311 1.026 1.00 0.00 S ATOM 1141 CE MET A 72 -10.399 23.007 1.325 1.00 0.00 C ATOM 0 H MET A 72 -10.298 28.052 2.616 1.00 0.00 H new ATOM 0 HA MET A 72 -12.436 26.322 3.004 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.468 25.883 3.606 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.650 24.610 3.376 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.149 25.702 1.067 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.696 26.649 1.317 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.087 22.405 2.179 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.369 23.458 1.534 1.00 0.00 H new ATOM 0 HE3 MET A 72 -10.477 22.372 0.442 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.672 26.770 5.777 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.744 26.699 7.233 1.00 0.00 C ATOM 1153 C GLN A 73 -11.814 27.639 7.775 1.00 0.00 C ATOM 1154 O GLN A 73 -12.547 27.296 8.701 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.385 27.059 7.841 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.297 26.153 7.259 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.746 24.699 7.309 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.988 24.068 6.194 1.00 0.00 O flip ATOM 1159 NE2 GLN A 73 -8.893 24.126 8.389 1.00 0.00 N flip ATOM 0 H GLN A 73 -9.764 27.056 5.412 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.010 25.679 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -9.150 28.103 7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.421 26.949 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.085 26.441 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.371 26.276 7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.703 24.622 9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.205 23.155 8.413 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.887 28.832 7.198 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.858 29.830 7.632 1.00 0.00 C ATOM 1170 C GLN A 74 -14.296 29.337 7.467 1.00 0.00 C ATOM 1171 O GLN A 74 -15.145 29.588 8.324 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.654 31.125 6.843 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.926 31.975 6.916 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.697 31.862 5.608 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -14.511 30.822 4.844 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -15.493 32.741 5.275 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.287 29.132 6.430 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.695 30.015 8.694 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.809 31.681 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -12.416 30.896 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.549 31.643 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.668 33.016 7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.636 33.553 5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -16.009 32.657 4.399 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.571 28.659 6.360 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.921 28.170 6.097 1.00 0.00 C ATOM 1187 C LYS A 75 -16.407 27.277 7.234 1.00 0.00 C ATOM 1188 O LYS A 75 -17.544 27.405 7.694 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.932 27.387 4.780 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.368 26.997 4.411 1.00 0.00 C ATOM 1191 CD LYS A 75 -18.116 28.224 3.879 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.508 27.806 3.398 1.00 0.00 C ATOM 1193 NZ LYS A 75 -20.193 28.977 2.781 1.00 0.00 N ATOM 0 H LYS A 75 -13.887 28.436 5.637 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.593 29.025 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.495 27.991 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.317 26.492 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.359 26.210 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.882 26.596 5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -18.201 28.978 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.557 28.676 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.426 26.996 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.095 27.427 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.139 28.693 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.284 29.737 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.635 29.319 1.972 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.539 26.382 7.684 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.882 25.471 8.776 1.00 0.00 C ATOM 1209 C GLU A 76 -14.632 24.761 9.291 1.00 0.00 C ATOM 1210 O GLU A 76 -14.434 23.576 9.019 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.907 24.436 8.293 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.457 23.649 9.490 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.311 24.552 10.383 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.876 25.507 9.871 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.388 24.274 11.568 1.00 0.00 O ATOM 0 H GLU A 76 -14.596 26.264 7.315 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.315 26.052 9.590 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.722 24.935 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.441 23.754 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.054 22.809 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.632 23.232 10.068 1.00 0.00 H new ATOM 1222 N MET A 77 -13.784 25.485 10.016 1.00 0.00 N ATOM 1223 CA MET A 77 -12.552 24.897 10.536 1.00 0.00 C ATOM 1224 C MET A 77 -12.838 23.609 11.311 1.00 0.00 C ATOM 1225 O MET A 77 -13.070 23.636 12.521 1.00 0.00 O ATOM 1226 CB MET A 77 -11.840 25.901 11.449 1.00 0.00 C ATOM 1227 CG MET A 77 -10.446 25.375 11.810 1.00 0.00 C ATOM 1228 SD MET A 77 -9.693 26.454 13.053 1.00 0.00 S ATOM 1229 CE MET A 77 -9.548 27.935 12.023 1.00 0.00 C ATOM 0 H MET A 77 -13.923 26.467 10.255 1.00 0.00 H new ATOM 0 HA MET A 77 -11.910 24.652 9.690 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.757 26.866 10.949 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.424 26.061 12.355 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.518 24.357 12.193 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.819 25.336 10.919 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.792 28.598 12.443 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.258 27.648 11.012 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.507 28.452 11.992 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.797 22.481 10.602 1.00 0.00 N ATOM 1240 CA GLN A 78 -13.026 21.179 11.222 1.00 0.00 C ATOM 1241 C GLN A 78 -12.005 20.941 12.330 1.00 0.00 C ATOM 1242 O GLN A 78 -10.907 21.496 12.289 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.914 20.075 10.167 1.00 0.00 C ATOM 1244 CG GLN A 78 -14.217 20.000 9.363 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.963 19.372 7.994 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.840 18.974 7.687 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.949 19.264 7.146 1.00 0.00 N ATOM 0 H GLN A 78 -12.608 22.444 9.600 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.027 21.163 11.653 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.075 20.278 9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.715 19.117 10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.955 19.412 9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.634 21.000 9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.880 19.594 7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.789 18.849 6.228 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.324 20.130 13.310 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.396 19.826 14.418 1.00 0.00 C ATOM 1258 C PRO A 79 -10.608 18.552 14.145 1.00 0.00 C ATOM 1259 O PRO A 79 -11.152 17.451 14.194 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.354 19.633 15.583 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.560 18.993 14.969 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.589 19.411 13.488 1.00 0.00 C ATOM 0 HA PRO A 79 -10.643 20.596 14.584 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.918 19.000 16.356 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.604 20.584 16.054 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.510 17.908 15.062 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.468 19.315 15.478 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.655 18.546 12.828 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.446 20.047 13.267 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.322 18.729 13.895 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.399 17.624 13.627 1.00 0.00 C ATOM 1272 C ARG A 80 -6.978 18.173 13.571 1.00 0.00 C ATOM 1273 O ARG A 80 -6.711 19.128 12.841 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.697 16.936 12.280 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.969 16.088 12.362 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.002 15.098 11.195 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.241 14.325 11.230 1.00 0.00 N ATOM 1278 CZ ARG A 80 -11.249 13.004 11.051 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -10.139 12.361 10.810 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -12.377 12.350 11.109 1.00 0.00 N ATOM 0 H ARG A 80 -8.880 19.648 13.871 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.518 16.891 14.425 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -8.809 17.690 11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.854 16.306 11.996 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.999 15.550 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.849 16.730 12.332 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.925 15.635 10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.144 14.428 11.251 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.123 14.809 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.256 12.869 10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.154 11.350 10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.247 12.850 11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.388 11.339 10.973 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.069 17.590 14.344 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.694 18.074 14.349 1.00 0.00 C ATOM 1296 C GLY A 81 -3.819 17.355 13.323 1.00 0.00 C ATOM 1297 O GLY A 81 -3.458 17.926 12.296 1.00 0.00 O ATOM 0 H GLY A 81 -6.252 16.800 14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.688 19.144 14.141 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.268 17.940 15.343 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.468 16.109 13.626 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.605 15.313 12.751 1.00 0.00 C ATOM 1303 C GLU A 82 -3.211 15.051 11.369 1.00 0.00 C ATOM 1304 O GLU A 82 -2.500 15.096 10.363 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.288 13.975 13.426 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.303 13.175 12.561 1.00 0.00 C ATOM 1307 CD GLU A 82 0.048 13.888 12.482 1.00 0.00 C ATOM 1308 OE1 GLU A 82 0.397 14.578 13.427 1.00 0.00 O ATOM 1309 OE2 GLU A 82 0.713 13.737 11.471 1.00 0.00 O ATOM 0 H GLU A 82 -3.767 15.625 14.473 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.698 15.897 12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.861 14.148 14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.205 13.404 13.571 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.170 12.178 12.980 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.712 13.047 11.559 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.501 14.730 11.322 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.147 14.409 10.049 1.00 0.00 C ATOM 1318 C GLN A 83 -5.065 15.559 9.048 1.00 0.00 C ATOM 1319 O GLN A 83 -4.431 15.432 8.000 1.00 0.00 O ATOM 1320 CB GLN A 83 -6.616 14.046 10.290 1.00 0.00 C ATOM 1321 CG GLN A 83 -6.699 12.802 11.183 1.00 0.00 C ATOM 1322 CD GLN A 83 -6.738 13.212 12.653 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -7.725 13.785 13.115 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -5.714 12.952 13.420 1.00 0.00 N ATOM 0 H GLN A 83 -5.114 14.685 12.136 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.613 13.561 9.621 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.134 14.880 10.762 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.115 13.858 9.339 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.590 12.226 10.935 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.840 12.156 11.000 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.897 12.477 13.036 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.731 13.224 14.403 1.00 0.00 H new ATOM 1333 N MET A 84 -5.713 16.675 9.369 1.00 0.00 N ATOM 1334 CA MET A 84 -5.705 17.830 8.477 1.00 0.00 C ATOM 1335 C MET A 84 -4.299 18.395 8.277 1.00 0.00 C ATOM 1336 O MET A 84 -3.987 18.909 7.202 1.00 0.00 O ATOM 1337 CB MET A 84 -6.648 18.916 8.996 1.00 0.00 C ATOM 1338 CG MET A 84 -8.105 18.496 8.737 1.00 0.00 C ATOM 1339 SD MET A 84 -9.211 19.906 9.004 1.00 0.00 S ATOM 1340 CE MET A 84 -8.920 20.125 10.776 1.00 0.00 C ATOM 0 H MET A 84 -6.245 16.804 10.230 1.00 0.00 H new ATOM 0 HA MET A 84 -6.058 17.488 7.504 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.488 19.073 10.063 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.437 19.863 8.499 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.211 18.128 7.716 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.380 17.676 9.401 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.833 21.188 11.002 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.754 19.702 11.337 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.998 19.617 11.059 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.449 18.313 9.304 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.091 18.841 9.181 1.00 0.00 C ATOM 1352 C ARG A 85 -1.416 18.262 7.943 1.00 0.00 C ATOM 1353 O ARG A 85 -0.912 19.002 7.097 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.264 18.495 10.425 1.00 0.00 C ATOM 1355 CG ARG A 85 0.121 19.143 10.317 1.00 0.00 C ATOM 1356 CD ARG A 85 0.949 18.797 11.557 1.00 0.00 C ATOM 1357 NE ARG A 85 1.361 17.397 11.514 1.00 0.00 N ATOM 1358 CZ ARG A 85 2.367 16.946 12.260 1.00 0.00 C ATOM 1359 NH1 ARG A 85 3.002 17.754 13.067 1.00 0.00 N ATOM 1360 NH2 ARG A 85 2.720 15.692 12.187 1.00 0.00 N ATOM 0 H ARG A 85 -3.670 17.896 10.208 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.151 19.925 9.088 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.773 18.848 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.165 17.414 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.629 18.792 9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.021 20.224 10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.827 19.441 11.608 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.364 18.984 12.458 1.00 0.00 H new ATOM 0 HE ARG A 85 0.867 16.750 10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.727 18.734 13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.772 17.404 13.637 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.225 15.059 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.491 15.345 12.758 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.436 16.936 7.829 1.00 0.00 N ATOM 1375 CA ARG A 86 -0.850 16.272 6.671 1.00 0.00 C ATOM 1376 C ARG A 86 -1.570 16.716 5.402 1.00 0.00 C ATOM 1377 O ARG A 86 -0.950 16.933 4.360 1.00 0.00 O ATOM 1378 CB ARG A 86 -0.957 14.753 6.826 1.00 0.00 C ATOM 1379 CG ARG A 86 -0.118 14.301 8.026 1.00 0.00 C ATOM 1380 CD ARG A 86 -0.153 12.775 8.133 1.00 0.00 C ATOM 1381 NE ARG A 86 0.588 12.173 7.029 1.00 0.00 N ATOM 1382 CZ ARG A 86 0.815 10.863 6.978 1.00 0.00 C ATOM 1383 NH1 ARG A 86 0.370 10.081 7.925 1.00 0.00 N ATOM 1384 NH2 ARG A 86 1.483 10.357 5.978 1.00 0.00 N ATOM 0 H ARG A 86 -1.848 16.307 8.518 1.00 0.00 H new ATOM 0 HA ARG A 86 0.203 16.546 6.600 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.998 14.464 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.609 14.259 5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.910 14.644 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.504 14.749 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.278 12.460 9.084 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.186 12.426 8.120 1.00 0.00 H new ATOM 0 HE ARG A 86 0.940 12.770 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.154 10.474 8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.546 9.077 7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.830 10.966 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.658 9.353 5.937 1.00 0.00 H new ATOM 1398 N MET A 87 -2.892 16.851 5.515 1.00 0.00 N ATOM 1399 CA MET A 87 -3.726 17.275 4.394 1.00 0.00 C ATOM 1400 C MET A 87 -3.257 18.615 3.830 1.00 0.00 C ATOM 1401 O MET A 87 -3.527 18.930 2.675 1.00 0.00 O ATOM 1402 CB MET A 87 -5.187 17.390 4.834 1.00 0.00 C ATOM 1403 CG MET A 87 -6.079 17.617 3.608 1.00 0.00 C ATOM 1404 SD MET A 87 -6.945 19.201 3.773 1.00 0.00 S ATOM 1405 CE MET A 87 -7.751 18.876 5.361 1.00 0.00 C ATOM 0 H MET A 87 -3.408 16.672 6.376 1.00 0.00 H new ATOM 0 HA MET A 87 -3.639 16.521 3.612 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.492 16.483 5.355 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.301 18.215 5.537 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.475 17.614 2.700 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.800 16.805 3.514 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.826 18.778 5.210 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.358 17.952 5.786 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.555 19.702 6.045 1.00 0.00 H new ATOM 1415 N MET A 88 -2.570 19.412 4.647 1.00 0.00 N ATOM 1416 CA MET A 88 -2.098 20.714 4.182 1.00 0.00 C ATOM 1417 C MET A 88 -1.454 20.562 2.806 1.00 0.00 C ATOM 1418 O MET A 88 -1.842 21.235 1.850 1.00 0.00 O ATOM 1419 CB MET A 88 -1.073 21.280 5.170 1.00 0.00 C ATOM 1420 CG MET A 88 -0.688 22.706 4.762 1.00 0.00 C ATOM 1421 SD MET A 88 1.114 22.835 4.629 1.00 0.00 S ATOM 1422 CE MET A 88 1.526 22.152 6.255 1.00 0.00 C ATOM 0 H MET A 88 -2.332 19.186 5.613 1.00 0.00 H new ATOM 0 HA MET A 88 -2.944 21.398 4.114 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.488 21.280 6.178 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.186 20.646 5.191 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.152 22.960 3.809 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.060 23.419 5.498 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.427 22.634 6.635 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.701 22.331 6.944 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.699 21.079 6.166 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.492 19.647 2.710 1.00 0.00 N ATOM 1433 CA ARG A 89 0.175 19.379 1.441 1.00 0.00 C ATOM 1434 C ARG A 89 -0.852 18.905 0.413 1.00 0.00 C ATOM 1435 O ARG A 89 -0.823 19.306 -0.751 1.00 0.00 O ATOM 1436 CB ARG A 89 1.243 18.301 1.640 1.00 0.00 C ATOM 1437 CG ARG A 89 2.301 18.808 2.625 1.00 0.00 C ATOM 1438 CD ARG A 89 3.402 17.755 2.786 1.00 0.00 C ATOM 1439 NE ARG A 89 2.829 16.487 3.233 1.00 0.00 N ATOM 1440 CZ ARG A 89 2.379 16.326 4.478 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.453 17.306 5.336 1.00 0.00 N ATOM 1442 NH2 ARG A 89 1.865 15.182 4.840 1.00 0.00 N ATOM 0 H ARG A 89 -0.159 19.082 3.492 1.00 0.00 H new ATOM 0 HA ARG A 89 0.649 20.292 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.786 17.387 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.708 18.054 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.729 19.744 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.842 19.019 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.921 17.613 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.143 18.101 3.506 1.00 0.00 H new ATOM 0 HE ARG A 89 2.772 15.707 2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.856 18.200 5.056 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.108 17.178 6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.808 14.414 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.520 15.056 5.792 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.765 18.050 0.877 1.00 0.00 N ATOM 1457 CA LEU A 90 -2.826 17.503 0.037 1.00 0.00 C ATOM 1458 C LEU A 90 -3.701 18.615 -0.538 1.00 0.00 C ATOM 1459 O LEU A 90 -4.104 18.560 -1.700 1.00 0.00 O ATOM 1460 CB LEU A 90 -3.675 16.550 0.885 1.00 0.00 C ATOM 1461 CG LEU A 90 -4.899 16.067 0.104 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -4.482 14.975 -0.872 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -5.931 15.503 1.085 1.00 0.00 C ATOM 0 H LEU A 90 -1.788 17.720 1.842 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.380 16.967 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.073 15.694 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.996 17.055 1.796 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.332 16.901 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.354 14.631 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.742 15.371 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.051 14.139 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.806 15.157 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.494 14.668 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.229 16.282 1.787 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.998 19.617 0.285 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.832 20.729 -0.151 1.00 0.00 C ATOM 1477 C ALA A 91 -4.250 21.372 -1.405 1.00 0.00 C ATOM 1478 O ALA A 91 -4.918 21.457 -2.431 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.939 21.769 0.964 1.00 0.00 C ATOM 0 H ALA A 91 -3.675 19.681 1.251 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.827 20.348 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.564 22.597 0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.384 21.311 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.945 22.141 1.211 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.995 21.809 -1.313 1.00 0.00 N ATOM 1486 CA GLU A 92 -2.315 22.430 -2.450 1.00 0.00 C ATOM 1487 C GLU A 92 -2.239 21.461 -3.628 1.00 0.00 C ATOM 1488 O GLU A 92 -2.176 21.881 -4.784 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.903 22.862 -2.043 1.00 0.00 C ATOM 1490 CG GLU A 92 -0.351 23.863 -3.071 1.00 0.00 C ATOM 1491 CD GLU A 92 0.233 23.130 -4.280 1.00 0.00 C ATOM 1492 OE1 GLU A 92 0.879 22.113 -4.085 1.00 0.00 O ATOM 1493 OE2 GLU A 92 0.029 23.603 -5.386 1.00 0.00 O ATOM 0 H GLU A 92 -2.430 21.745 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.887 23.306 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.923 23.317 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.250 21.992 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.146 24.534 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.418 24.481 -2.608 1.00 0.00 H new ATOM 1500 N ASN A 93 -2.229 20.165 -3.328 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.144 19.147 -4.371 1.00 0.00 C ATOM 1502 C ASN A 93 -3.420 19.113 -5.210 1.00 0.00 C ATOM 1503 O ASN A 93 -3.372 18.832 -6.406 1.00 0.00 O ATOM 1504 CB ASN A 93 -1.910 17.771 -3.742 1.00 0.00 C ATOM 1505 CG ASN A 93 -1.490 16.771 -4.814 1.00 0.00 C ATOM 1506 OD1 ASN A 93 -2.272 15.766 -5.098 1.00 0.00 O flip ATOM 1507 ND2 ASN A 93 -0.421 16.910 -5.410 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.278 19.797 -2.378 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.307 19.400 -5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.139 17.839 -2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.820 17.428 -3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.189 17.696 -5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.146 16.239 -6.127 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.557 19.398 -4.579 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.834 19.393 -5.290 1.00 0.00 C ATOM 1516 C ILE A 94 -5.766 20.275 -6.543 1.00 0.00 C ATOM 1517 O ILE A 94 -5.988 19.794 -7.650 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.957 19.865 -4.354 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.313 18.729 -3.389 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.197 20.247 -5.170 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.204 19.263 -2.267 1.00 0.00 C ATOM 0 H ILE A 94 -4.621 19.633 -3.588 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.049 18.374 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.618 20.737 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.827 17.931 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.404 18.297 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.987 20.580 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.945 21.052 -5.860 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.542 19.381 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.454 18.451 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.675 20.045 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.119 19.674 -2.693 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.457 21.542 -6.394 1.00 0.00 N ATOM 1534 CA PRO A 95 -5.350 22.488 -7.547 1.00 0.00 C ATOM 1535 C PRO A 95 -4.187 22.146 -8.481 1.00 0.00 C ATOM 1536 O PRO A 95 -4.195 22.523 -9.653 1.00 0.00 O ATOM 1537 CB PRO A 95 -5.131 23.856 -6.887 1.00 0.00 C ATOM 1538 CG PRO A 95 -4.599 23.564 -5.527 1.00 0.00 C ATOM 1539 CD PRO A 95 -5.179 22.215 -5.117 1.00 0.00 C ATOM 0 HA PRO A 95 -6.238 22.450 -8.178 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.429 24.460 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.063 24.418 -6.831 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.510 23.532 -5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.890 24.342 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.474 21.645 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.085 22.334 -4.524 1.00 0.00 H new ATOM 1547 N SER A 96 -3.198 21.419 -7.958 1.00 0.00 N ATOM 1548 CA SER A 96 -2.041 21.018 -8.756 1.00 0.00 C ATOM 1549 C SER A 96 -2.529 20.190 -9.916 1.00 0.00 C ATOM 1550 O SER A 96 -2.000 20.239 -11.026 1.00 0.00 O ATOM 1551 CB SER A 96 -1.055 20.208 -7.912 1.00 0.00 C ATOM 1552 OG SER A 96 -0.695 20.959 -6.761 1.00 0.00 O ATOM 0 H SER A 96 -3.176 21.098 -6.990 1.00 0.00 H new ATOM 0 HA SER A 96 -1.521 21.906 -9.117 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.505 19.260 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.167 19.970 -8.498 1.00 0.00 H new ATOM 0 HG SER A 96 -1.476 21.059 -6.178 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.567 19.438 -9.614 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.206 18.573 -10.571 1.00 0.00 C ATOM 1560 C ARG A 97 -4.637 19.351 -11.812 1.00 0.00 C ATOM 1561 O ARG A 97 -4.588 18.831 -12.927 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.420 17.948 -9.900 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.968 17.017 -8.769 1.00 0.00 C ATOM 1564 CD ARG A 97 -6.171 16.248 -8.216 1.00 0.00 C ATOM 1565 NE ARG A 97 -7.212 17.174 -7.774 1.00 0.00 N ATOM 1566 CZ ARG A 97 -8.248 17.485 -8.553 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -8.353 16.973 -9.750 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -9.161 18.308 -8.119 1.00 0.00 N ATOM 0 H ARG A 97 -3.991 19.413 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.505 17.803 -10.894 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.069 18.728 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.004 17.389 -10.632 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.218 16.318 -9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.499 17.597 -7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.569 15.584 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.857 15.620 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.144 17.593 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.639 16.331 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.149 17.216 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.081 18.712 -7.186 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.955 18.548 -8.713 1.00 0.00 H new ATOM 1582 N CYS A 98 -5.044 20.606 -11.611 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.465 21.450 -12.717 1.00 0.00 C ATOM 1584 C CYS A 98 -4.360 22.411 -13.072 1.00 0.00 C ATOM 1585 O CYS A 98 -4.433 23.094 -14.094 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.704 22.263 -12.353 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.641 21.410 -11.059 1.00 0.00 S ATOM 0 H CYS A 98 -5.089 21.053 -10.695 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.698 20.799 -13.560 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.411 23.255 -12.008 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.329 22.404 -13.235 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.347 22.490 -12.213 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.269 23.413 -12.469 1.00 0.00 C ATOM 1594 C ASN A 99 -1.684 23.177 -13.825 1.00 0.00 C ATOM 1595 O ASN A 99 -1.793 22.099 -14.414 1.00 0.00 O ATOM 1596 CB ASN A 99 -1.179 23.383 -11.424 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.650 24.126 -10.179 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -2.790 24.764 -10.210 1.00 0.00 O flip ATOM 1599 ND2 ASN A 99 -0.962 24.133 -9.157 1.00 0.00 N flip ATOM 0 H ASN A 99 -3.258 21.939 -11.359 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.713 24.407 -12.424 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.929 22.352 -11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.272 23.845 -11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.073 23.634 -9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.282 24.638 -8.331 1.00 0.00 H new ATOM 1606 N LEU A 100 -1.162 24.252 -14.341 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.651 24.279 -15.682 1.00 0.00 C ATOM 1608 C LEU A 100 0.535 25.234 -15.786 1.00 0.00 C ATOM 1609 O LEU A 100 0.504 26.328 -15.227 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.815 24.754 -16.562 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.945 25.317 -15.651 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.674 26.788 -15.342 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.295 25.169 -16.339 1.00 0.00 C ATOM 0 H LEU A 100 -1.078 25.138 -13.842 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.290 23.299 -15.995 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.473 25.522 -17.255 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.193 23.927 -17.163 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.963 24.753 -14.718 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.467 27.178 -14.704 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.717 26.882 -14.829 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.644 27.356 -16.272 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.078 25.566 -15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.286 25.720 -17.279 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.488 24.115 -16.538 1.00 0.00 H new ATOM 1625 N SER A 101 1.574 24.794 -16.497 1.00 0.00 N ATOM 1626 CA SER A 101 2.792 25.588 -16.678 1.00 0.00 C ATOM 1627 C SER A 101 2.469 27.067 -16.880 1.00 0.00 C ATOM 1628 O SER A 101 2.162 27.500 -17.991 1.00 0.00 O ATOM 1629 CB SER A 101 3.571 25.067 -17.887 1.00 0.00 C ATOM 1630 OG SER A 101 2.688 24.925 -18.993 1.00 0.00 O ATOM 0 H SER A 101 1.597 23.886 -16.960 1.00 0.00 H new ATOM 0 HA SER A 101 3.395 25.491 -15.775 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.378 25.756 -18.138 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.032 24.108 -17.650 1.00 0.00 H new ATOM 0 HG SER A 101 2.156 25.742 -19.094 1.00 0.00 H new ATOM 1636 N PRO A 102 2.536 27.841 -15.826 1.00 0.00 N ATOM 1637 CA PRO A 102 2.256 29.299 -15.859 1.00 0.00 C ATOM 1638 C PRO A 102 3.508 30.096 -16.213 1.00 0.00 C ATOM 1639 O PRO A 102 4.603 29.765 -15.761 1.00 0.00 O ATOM 1640 CB PRO A 102 1.790 29.603 -14.422 1.00 0.00 C ATOM 1641 CG PRO A 102 1.969 28.329 -13.638 1.00 0.00 C ATOM 1642 CD PRO A 102 2.876 27.430 -14.468 1.00 0.00 C ATOM 0 HA PRO A 102 1.518 29.573 -16.613 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.376 30.412 -13.987 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.748 29.923 -14.411 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.413 28.533 -12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.008 27.848 -13.456 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.930 27.592 -14.243 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.672 26.373 -14.297 1.00 0.00 H new ATOM 1650 N MET A 103 3.348 31.140 -17.024 1.00 0.00 N ATOM 1651 CA MET A 103 4.494 31.952 -17.416 1.00 0.00 C ATOM 1652 C MET A 103 4.999 32.771 -16.229 1.00 0.00 C ATOM 1653 O MET A 103 6.149 32.629 -15.814 1.00 0.00 O ATOM 1654 CB MET A 103 4.100 32.890 -18.562 1.00 0.00 C ATOM 1655 CG MET A 103 5.341 33.617 -19.087 1.00 0.00 C ATOM 1656 SD MET A 103 4.851 34.800 -20.366 1.00 0.00 S ATOM 1657 CE MET A 103 6.513 35.375 -20.795 1.00 0.00 C ATOM 0 H MET A 103 2.454 31.438 -17.415 1.00 0.00 H new ATOM 0 HA MET A 103 5.293 31.289 -17.750 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.633 32.321 -19.366 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.363 33.614 -18.215 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.844 34.135 -18.271 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.052 32.898 -19.495 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.446 36.126 -21.582 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.985 35.812 -19.915 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.110 34.533 -21.146 1.00 0.00 H new ATOM 1667 N ARG A 104 4.125 33.616 -15.682 1.00 0.00 N ATOM 1668 CA ARG A 104 4.483 34.447 -14.533 1.00 0.00 C ATOM 1669 C ARG A 104 3.259 34.742 -13.673 1.00 0.00 C ATOM 1670 O ARG A 104 2.170 34.982 -14.193 1.00 0.00 O ATOM 1671 CB ARG A 104 5.089 35.777 -15.000 1.00 0.00 C ATOM 1672 CG ARG A 104 6.507 35.565 -15.545 1.00 0.00 C ATOM 1673 CD ARG A 104 7.461 35.190 -14.405 1.00 0.00 C ATOM 1674 NE ARG A 104 7.538 36.279 -13.430 1.00 0.00 N ATOM 1675 CZ ARG A 104 6.988 36.180 -12.218 1.00 0.00 C ATOM 1676 NH1 ARG A 104 6.361 35.091 -11.859 1.00 0.00 N ATOM 1677 NH2 ARG A 104 7.078 37.178 -11.382 1.00 0.00 N ATOM 0 H ARG A 104 3.169 33.743 -16.014 1.00 0.00 H new ATOM 0 HA ARG A 104 5.215 33.895 -13.943 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.459 36.218 -15.773 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.115 36.482 -14.169 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.501 34.777 -16.298 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.855 36.473 -16.037 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.115 34.279 -13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.453 34.980 -14.805 1.00 0.00 H new ATOM 0 HE ARG A 104 8.026 37.138 -13.684 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.289 34.307 -12.507 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.944 35.025 -10.930 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.567 38.030 -11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.659 37.106 -10.455 1.00 0.00 H new ATOM 1691 N CYS A 105 3.459 34.759 -12.357 1.00 0.00 N ATOM 1692 CA CYS A 105 2.377 35.073 -11.426 1.00 0.00 C ATOM 1693 C CYS A 105 2.540 36.517 -10.936 1.00 0.00 C ATOM 1694 O CYS A 105 3.323 36.779 -10.022 1.00 0.00 O ATOM 1695 CB CYS A 105 2.401 34.112 -10.232 1.00 0.00 C ATOM 1696 SG CYS A 105 1.505 32.592 -10.651 1.00 0.00 S ATOM 0 H CYS A 105 4.355 34.560 -11.913 1.00 0.00 H new ATOM 0 HA CYS A 105 1.421 34.962 -11.938 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.431 33.876 -9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.946 34.586 -9.362 1.00 0.00 H new ATOM 1701 N PRO A 106 1.835 37.453 -11.529 1.00 0.00 N ATOM 1702 CA PRO A 106 1.926 38.894 -11.145 1.00 0.00 C ATOM 1703 C PRO A 106 1.307 39.187 -9.793 1.00 0.00 C ATOM 1704 O PRO A 106 1.202 40.345 -9.385 1.00 0.00 O ATOM 1705 CB PRO A 106 1.175 39.630 -12.249 1.00 0.00 C ATOM 1706 CG PRO A 106 0.239 38.622 -12.835 1.00 0.00 C ATOM 1707 CD PRO A 106 0.877 37.246 -12.628 1.00 0.00 C ATOM 0 HA PRO A 106 2.966 39.206 -11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.631 40.486 -11.850 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.862 40.013 -13.003 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.735 38.672 -12.349 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.077 38.817 -13.895 1.00 0.00 H new ATOM 0 HD2 PRO A 106 0.130 36.496 -12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.377 36.899 -13.532 1.00 0.00 H new ATOM 1715 N MET A 107 0.897 38.141 -9.106 1.00 0.00 N ATOM 1716 CA MET A 107 0.286 38.306 -7.806 1.00 0.00 C ATOM 1717 C MET A 107 1.357 38.587 -6.773 1.00 0.00 C ATOM 1718 O MET A 107 1.862 37.681 -6.107 1.00 0.00 O ATOM 1719 CB MET A 107 -0.426 37.027 -7.432 1.00 0.00 C ATOM 1720 CG MET A 107 -1.690 36.846 -8.286 1.00 0.00 C ATOM 1721 SD MET A 107 -1.502 37.688 -9.881 1.00 0.00 S ATOM 1722 CE MET A 107 -2.844 38.886 -9.675 1.00 0.00 C ATOM 0 H MET A 107 0.975 37.175 -9.424 1.00 0.00 H new ATOM 0 HA MET A 107 -0.419 39.136 -7.839 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.241 36.177 -7.575 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.694 37.048 -6.376 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.878 35.785 -8.448 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.555 37.246 -7.756 1.00 0.00 H new ATOM 0 HE1 MET A 107 -3.024 39.397 -10.621 1.00 0.00 H new ATOM 0 HE2 MET A 107 -3.751 38.367 -9.365 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.566 39.616 -8.915 1.00 0.00 H new