USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1009 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 116 SER OG : rot -146:sc= 0.479 USER MOD Set 1.2: A 118 THR OG1 : rot 160:sc= 0.492 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -1.42 K(o=-2.6,f=-3.6) USER MOD Set 2.2: A 100 MET CE :methyl 170:sc= -1.09 (180deg=-0.333) USER MOD Set 2.3: A 112 MET CE :methyl 145:sc= -0.0524 (180deg=0) USER MOD Set 3.1: A 89 LYS NZ :NH3+ 148:sc= 0.633 (180deg=-0.125) USER MOD Set 3.2: A 90 SER OG : rot 103:sc= 0.852 USER MOD Set 4.1: A 66 LYS NZ :NH3+ -139:sc= 0.883 (180deg=0.186) USER MOD Set 4.2: A 70 MET CE :methyl -129:sc= -0.0321 (180deg=-0.377) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0507 (180deg=-0.0507) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.13 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -106:sc= 1.2 (180deg=0.0103) USER MOD Single : A 7 ASN : amide:sc= -0.705 X(o=-0.7,f=-0.37) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -3.99! C(o=-4!,f=-3.3!) USER MOD Single : A 23 GLN : amide:sc= -2.51! C(o=-2.5!,f=-7.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0564 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= -0.0054 (180deg=-0.0726) USER MOD Single : A 35 TYR OH : rot -112:sc= 0.158 USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 0.426 (180deg=0.416) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.456 (180deg=0.362) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.858 USER MOD Single : A 56 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 57 SER OG : rot 84:sc= 1.26 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.043) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0114 K(o=-0.011,f=-0.7) USER MOD Single : A 68 MET CE :methyl -155:sc= -0.264 (180deg=-0.783) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.17) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= -0.605 (180deg=-2.64!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.625 K(o=0.63,f=-0.28) USER MOD Single : A 84 MET CE :methyl 168:sc= 0 (180deg=-0.219) USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0.147 (180deg=0.145) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -48:sc= 0.542 USER MOD Single : A 107 MET CE :methyl 177:sc= -0.0063 (180deg=-0.0145) USER MOD Single : A 113 THR OG1 : rot -150:sc= -0.194 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.868 -1.050 -8.862 1.00 0.00 N ATOM 2 CA MET A 1 -16.056 -2.183 -7.923 1.00 0.00 C ATOM 3 C MET A 1 -16.404 -1.629 -6.530 1.00 0.00 C ATOM 4 O MET A 1 -16.183 -0.440 -6.266 1.00 0.00 O ATOM 5 CB MET A 1 -14.782 -3.096 -7.919 1.00 0.00 C ATOM 6 CG MET A 1 -14.979 -4.519 -7.345 1.00 0.00 C ATOM 7 SD MET A 1 -14.904 -4.618 -5.545 1.00 0.00 S ATOM 8 CE MET A 1 -13.138 -4.481 -5.270 1.00 0.00 C ATOM 0 H1 MET A 1 -16.636 -1.049 -9.563 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.881 -0.155 -8.333 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.955 -1.151 -9.349 1.00 0.00 H new ATOM 0 HA MET A 1 -16.886 -2.813 -8.243 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.417 -3.184 -8.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.002 -2.597 -7.344 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.945 -4.900 -7.677 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.216 -5.175 -7.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.932 -4.526 -4.201 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.627 -5.302 -5.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.780 -3.532 -5.669 1.00 0.00 H new ATOM 18 N LYS A 2 -16.978 -2.490 -5.662 1.00 0.00 N ATOM 19 CA LYS A 2 -17.406 -2.131 -4.284 1.00 0.00 C ATOM 20 C LYS A 2 -16.255 -1.456 -3.501 1.00 0.00 C ATOM 21 O LYS A 2 -16.417 -0.360 -2.944 1.00 0.00 O ATOM 22 CB LYS A 2 -17.853 -3.420 -3.540 1.00 0.00 C ATOM 23 CG LYS A 2 -18.959 -4.236 -4.266 1.00 0.00 C ATOM 24 CD LYS A 2 -19.087 -5.680 -3.729 1.00 0.00 C ATOM 25 CE LYS A 2 -17.797 -6.499 -3.939 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.884 -7.853 -3.348 1.00 0.00 N ATOM 0 H LYS A 2 -17.161 -3.466 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.234 -1.425 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.983 -4.061 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -18.214 -3.145 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.915 -3.725 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.739 -4.268 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.327 -5.650 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.917 -6.179 -4.229 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.594 -6.584 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.956 -5.966 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.993 -8.363 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.051 -7.775 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.669 -8.374 -3.788 1.00 0.00 H new ATOM 40 N GLU A 3 -15.097 -2.151 -3.518 1.00 0.00 N ATOM 41 CA GLU A 3 -13.841 -1.724 -2.892 1.00 0.00 C ATOM 42 C GLU A 3 -14.013 -1.583 -1.370 1.00 0.00 C ATOM 43 O GLU A 3 -14.046 -2.612 -0.698 1.00 0.00 O ATOM 44 CB GLU A 3 -13.271 -0.452 -3.594 1.00 0.00 C ATOM 45 CG GLU A 3 -12.996 -0.657 -5.096 1.00 0.00 C ATOM 46 CD GLU A 3 -12.653 0.639 -5.841 1.00 0.00 C ATOM 47 OE1 GLU A 3 -13.532 1.521 -5.947 1.00 0.00 O ATOM 48 OE2 GLU A 3 -11.523 0.766 -6.372 1.00 0.00 O ATOM 0 H GLU A 3 -15.015 -3.054 -3.985 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.085 -2.496 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.976 0.370 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.346 -0.156 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.173 -1.362 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.873 -1.111 -5.558 1.00 0.00 H new ATOM 55 N VAL A 4 -14.165 -0.324 -0.855 1.00 0.00 N ATOM 56 CA VAL A 4 -14.301 0.058 0.596 1.00 0.00 C ATOM 57 C VAL A 4 -13.043 -0.267 1.484 1.00 0.00 C ATOM 58 O VAL A 4 -12.833 0.396 2.487 1.00 0.00 O ATOM 59 CB VAL A 4 -15.652 -0.433 1.292 1.00 0.00 C ATOM 60 CG1 VAL A 4 -16.871 -0.237 0.367 1.00 0.00 C ATOM 61 CG2 VAL A 4 -15.584 -1.880 1.845 1.00 0.00 C ATOM 0 H VAL A 4 -14.198 0.493 -1.465 1.00 0.00 H new ATOM 0 HA VAL A 4 -14.363 1.145 0.544 1.00 0.00 H new ATOM 0 HB VAL A 4 -15.780 0.208 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.772 -0.582 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.975 0.820 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -16.728 -0.810 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.539 -2.140 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.372 -2.572 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.794 -1.947 2.593 1.00 0.00 H new ATOM 71 N GLU A 5 -12.281 -1.306 1.111 1.00 0.00 N ATOM 72 CA GLU A 5 -10.981 -1.710 1.700 1.00 0.00 C ATOM 73 C GLU A 5 -10.051 -0.489 1.958 1.00 0.00 C ATOM 74 O GLU A 5 -9.526 -0.313 3.051 1.00 0.00 O ATOM 75 CB GLU A 5 -10.306 -2.705 0.706 1.00 0.00 C ATOM 76 CG GLU A 5 -9.008 -3.390 1.188 1.00 0.00 C ATOM 77 CD GLU A 5 -9.273 -4.532 2.180 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.390 -4.274 3.395 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.407 -5.692 1.738 1.00 0.00 O ATOM 0 H GLU A 5 -12.564 -1.924 0.351 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.153 -2.178 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.029 -3.482 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.086 -2.168 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.467 -3.781 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.364 -2.648 1.659 1.00 0.00 H new ATOM 86 N LYS A 6 -9.835 0.284 0.884 1.00 0.00 N ATOM 87 CA LYS A 6 -9.050 1.555 0.950 1.00 0.00 C ATOM 88 C LYS A 6 -9.512 2.479 2.128 1.00 0.00 C ATOM 89 O LYS A 6 -8.682 3.064 2.844 1.00 0.00 O ATOM 90 CB LYS A 6 -9.210 2.323 -0.378 1.00 0.00 C ATOM 91 CG LYS A 6 -8.848 1.519 -1.649 1.00 0.00 C ATOM 92 CD LYS A 6 -9.230 2.272 -2.944 1.00 0.00 C ATOM 93 CE LYS A 6 -8.856 1.507 -4.227 1.00 0.00 C ATOM 94 NZ LYS A 6 -9.295 2.236 -5.441 1.00 0.00 N ATOM 0 H LYS A 6 -10.187 0.063 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.008 1.287 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.243 2.660 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.585 3.215 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.778 1.312 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.359 0.557 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.303 2.462 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.735 3.243 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.777 1.357 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.314 0.518 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.123 1.759 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.549 3.212 -5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.522 2.249 -6.137 1.00 0.00 H new ATOM 108 N ASN A 7 -10.847 2.562 2.301 1.00 0.00 N ATOM 109 CA ASN A 7 -11.459 3.403 3.372 1.00 0.00 C ATOM 110 C ASN A 7 -11.071 2.911 4.793 1.00 0.00 C ATOM 111 O ASN A 7 -11.047 3.706 5.733 1.00 0.00 O ATOM 112 CB ASN A 7 -13.003 3.427 3.249 1.00 0.00 C ATOM 113 CG ASN A 7 -13.515 3.835 1.870 1.00 0.00 C ATOM 114 OD1 ASN A 7 -12.865 4.588 1.140 1.00 0.00 O ATOM 115 ND2 ASN A 7 -14.697 3.364 1.508 1.00 0.00 N ATOM 0 H ASN A 7 -11.524 2.065 1.723 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.066 4.410 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.391 2.437 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.405 4.116 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -15.094 3.622 0.604 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.212 2.743 2.133 1.00 0.00 H new ATOM 122 N GLU A 8 -10.814 1.593 4.917 1.00 0.00 N ATOM 123 CA GLU A 8 -10.292 0.988 6.180 1.00 0.00 C ATOM 124 C GLU A 8 -8.849 1.459 6.494 1.00 0.00 C ATOM 125 O GLU A 8 -8.523 1.722 7.665 1.00 0.00 O ATOM 126 CB GLU A 8 -10.380 -0.575 6.160 1.00 0.00 C ATOM 127 CG GLU A 8 -11.699 -1.176 6.687 1.00 0.00 C ATOM 128 CD GLU A 8 -12.958 -0.745 5.907 1.00 0.00 C ATOM 129 OE1 GLU A 8 -13.224 -1.308 4.821 1.00 0.00 O ATOM 130 OE2 GLU A 8 -13.696 0.144 6.381 1.00 0.00 O ATOM 0 H GLU A 8 -10.956 0.920 4.164 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.937 1.343 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.230 -0.916 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.557 -0.975 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.625 -2.263 6.659 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.820 -0.892 7.732 1.00 0.00 H new ATOM 137 N ILE A 9 -7.978 1.546 5.467 1.00 0.00 N ATOM 138 CA ILE A 9 -6.611 2.097 5.640 1.00 0.00 C ATOM 139 C ILE A 9 -6.665 3.588 6.047 1.00 0.00 C ATOM 140 O ILE A 9 -5.873 4.043 6.883 1.00 0.00 O ATOM 141 CB ILE A 9 -5.741 1.900 4.338 1.00 0.00 C ATOM 142 CG1 ILE A 9 -5.647 0.385 3.958 1.00 0.00 C ATOM 143 CG2 ILE A 9 -4.322 2.513 4.492 1.00 0.00 C ATOM 144 CD1 ILE A 9 -5.036 -0.515 5.032 1.00 0.00 C ATOM 0 H ILE A 9 -8.191 1.245 4.516 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.130 1.541 6.445 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.242 2.432 3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.648 0.021 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.056 0.291 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.756 2.356 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.407 3.582 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.806 2.032 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.014 -1.545 4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.020 -0.185 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.637 -0.458 5.939 1.00 0.00 H new ATOM 156 N LYS A 10 -7.622 4.319 5.461 1.00 0.00 N ATOM 157 CA LYS A 10 -7.890 5.731 5.812 1.00 0.00 C ATOM 158 C LYS A 10 -8.348 5.833 7.291 1.00 0.00 C ATOM 159 O LYS A 10 -7.941 6.734 8.004 1.00 0.00 O ATOM 160 CB LYS A 10 -8.946 6.310 4.817 1.00 0.00 C ATOM 161 CG LYS A 10 -9.338 7.814 4.999 1.00 0.00 C ATOM 162 CD LYS A 10 -10.441 8.078 6.064 1.00 0.00 C ATOM 163 CE LYS A 10 -11.753 7.335 5.766 1.00 0.00 C ATOM 164 NZ LYS A 10 -12.806 7.639 6.765 1.00 0.00 N ATOM 0 H LYS A 10 -8.234 3.955 4.731 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.982 6.327 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.566 6.178 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.853 5.711 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.446 8.376 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.678 8.205 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.072 7.774 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.640 9.148 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.107 7.609 4.772 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.566 6.261 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.673 7.117 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.480 7.354 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.004 8.660 6.761 1.00 0.00 H new ATOM 178 N ARG A 11 -9.265 4.935 7.669 1.00 0.00 N ATOM 179 CA ARG A 11 -9.761 4.768 9.057 1.00 0.00 C ATOM 180 C ARG A 11 -8.612 4.705 10.106 1.00 0.00 C ATOM 181 O ARG A 11 -8.521 5.578 10.986 1.00 0.00 O ATOM 182 CB ARG A 11 -10.664 3.510 9.136 1.00 0.00 C ATOM 183 CG ARG A 11 -11.225 3.182 10.532 1.00 0.00 C ATOM 184 CD ARG A 11 -11.965 1.831 10.582 1.00 0.00 C ATOM 185 NE ARG A 11 -13.088 1.766 9.631 1.00 0.00 N ATOM 186 CZ ARG A 11 -14.191 1.021 9.794 1.00 0.00 C ATOM 187 NH1 ARG A 11 -14.400 0.339 10.911 1.00 0.00 N ATOM 188 NH2 ARG A 11 -15.101 0.983 8.841 1.00 0.00 N ATOM 0 H ARG A 11 -9.698 4.286 7.011 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.347 5.652 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.500 3.641 8.449 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.093 2.652 8.782 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.407 3.169 11.252 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.907 3.975 10.839 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.262 1.027 10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.339 1.662 11.592 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.022 2.331 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.715 0.375 11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.246 -0.222 11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.965 1.519 7.984 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.942 0.418 8.961 1.00 0.00 H new ATOM 202 N LEU A 12 -7.736 3.676 10.004 1.00 0.00 N ATOM 203 CA LEU A 12 -6.619 3.480 10.970 1.00 0.00 C ATOM 204 C LEU A 12 -5.622 4.667 10.922 1.00 0.00 C ATOM 205 O LEU A 12 -5.049 5.050 11.950 1.00 0.00 O ATOM 206 CB LEU A 12 -5.933 2.090 10.745 1.00 0.00 C ATOM 207 CG LEU A 12 -5.352 1.789 9.309 1.00 0.00 C ATOM 208 CD1 LEU A 12 -3.881 2.250 9.154 1.00 0.00 C ATOM 209 CD2 LEU A 12 -5.512 0.301 8.926 1.00 0.00 C ATOM 0 H LEU A 12 -7.778 2.971 9.268 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.026 3.468 11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.119 1.996 11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.660 1.314 10.983 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.946 2.379 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.531 2.019 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.817 3.325 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.258 1.731 9.883 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.100 0.135 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.980 -0.320 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.569 0.036 8.930 1.00 0.00 H new ATOM 221 N SER A 13 -5.401 5.198 9.707 1.00 0.00 N ATOM 222 CA SER A 13 -4.646 6.452 9.503 1.00 0.00 C ATOM 223 C SER A 13 -5.221 7.618 10.359 1.00 0.00 C ATOM 224 O SER A 13 -4.476 8.269 11.085 1.00 0.00 O ATOM 225 CB SER A 13 -4.638 6.827 8.001 1.00 0.00 C ATOM 226 OG SER A 13 -3.846 7.973 7.744 1.00 0.00 O ATOM 0 H SER A 13 -5.737 4.775 8.842 1.00 0.00 H new ATOM 0 HA SER A 13 -3.621 6.285 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.259 5.987 7.420 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.659 7.010 7.668 1.00 0.00 H new ATOM 0 HG SER A 13 -3.865 8.176 6.785 1.00 0.00 H new ATOM 232 N ASP A 14 -6.539 7.883 10.225 1.00 0.00 N ATOM 233 CA ASP A 14 -7.295 8.881 11.038 1.00 0.00 C ATOM 234 C ASP A 14 -7.196 8.613 12.559 1.00 0.00 C ATOM 235 O ASP A 14 -7.257 9.544 13.368 1.00 0.00 O ATOM 236 CB ASP A 14 -8.787 8.839 10.592 1.00 0.00 C ATOM 237 CG ASP A 14 -9.688 9.852 11.325 1.00 0.00 C ATOM 238 OD1 ASP A 14 -9.596 11.064 11.032 1.00 0.00 O ATOM 239 OD2 ASP A 14 -10.478 9.444 12.209 1.00 0.00 O ATOM 0 H ASP A 14 -7.124 7.405 9.539 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.857 9.864 10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.841 9.029 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.177 7.835 10.757 1.00 0.00 H new ATOM 244 N ARG A 15 -7.030 7.325 12.913 1.00 0.00 N ATOM 245 CA ARG A 15 -6.891 6.917 14.324 1.00 0.00 C ATOM 246 C ARG A 15 -5.555 7.455 14.883 1.00 0.00 C ATOM 247 O ARG A 15 -5.523 8.161 15.913 1.00 0.00 O ATOM 248 CB ARG A 15 -6.987 5.379 14.488 1.00 0.00 C ATOM 249 CG ARG A 15 -6.919 4.897 15.955 1.00 0.00 C ATOM 250 CD ARG A 15 -7.987 5.556 16.846 1.00 0.00 C ATOM 251 NE ARG A 15 -7.721 5.323 18.279 1.00 0.00 N ATOM 252 CZ ARG A 15 -7.404 6.277 19.180 1.00 0.00 C ATOM 253 NH1 ARG A 15 -7.320 7.562 18.826 1.00 0.00 N ATOM 254 NH2 ARG A 15 -7.156 5.936 20.437 1.00 0.00 N ATOM 0 H ARG A 15 -6.989 6.554 12.247 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.716 7.345 14.893 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.922 5.035 14.046 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.178 4.913 13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.045 3.815 15.984 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.930 5.114 16.359 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.013 6.628 16.650 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.970 5.161 16.589 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.782 4.362 18.616 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.497 7.837 17.860 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.079 8.268 19.522 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.205 4.957 20.719 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.916 6.653 21.122 1.00 0.00 H new ATOM 268 N LEU A 16 -4.466 7.148 14.161 1.00 0.00 N ATOM 269 CA LEU A 16 -3.117 7.575 14.569 1.00 0.00 C ATOM 270 C LEU A 16 -2.993 9.115 14.468 1.00 0.00 C ATOM 271 O LEU A 16 -2.329 9.721 15.301 1.00 0.00 O ATOM 272 CB LEU A 16 -2.031 6.827 13.724 1.00 0.00 C ATOM 273 CG LEU A 16 -0.558 6.772 14.295 1.00 0.00 C ATOM 274 CD1 LEU A 16 0.199 8.112 14.173 1.00 0.00 C ATOM 275 CD2 LEU A 16 -0.537 6.260 15.751 1.00 0.00 C ATOM 0 H LEU A 16 -4.492 6.608 13.296 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.948 7.306 15.612 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.370 5.802 13.575 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.991 7.295 12.741 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.024 6.059 13.667 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.202 8.002 14.584 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.266 8.398 13.123 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.337 8.884 14.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.491 6.234 16.113 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.127 6.927 16.380 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.960 5.256 15.790 1.00 0.00 H new ATOM 287 N ASP A 17 -3.607 9.729 13.434 1.00 0.00 N ATOM 288 CA ASP A 17 -3.647 11.205 13.278 1.00 0.00 C ATOM 289 C ASP A 17 -4.251 11.894 14.519 1.00 0.00 C ATOM 290 O ASP A 17 -3.666 12.840 15.057 1.00 0.00 O ATOM 291 CB ASP A 17 -4.454 11.570 12.004 1.00 0.00 C ATOM 292 CG ASP A 17 -4.735 13.078 11.855 1.00 0.00 C ATOM 293 OD1 ASP A 17 -3.820 13.829 11.477 1.00 0.00 O ATOM 294 OD2 ASP A 17 -5.877 13.513 12.109 1.00 0.00 O ATOM 0 H ASP A 17 -4.086 9.224 12.688 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.624 11.566 13.176 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.907 11.224 11.127 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.403 11.033 12.020 1.00 0.00 H new ATOM 299 N ALA A 18 -5.453 11.463 14.926 1.00 0.00 N ATOM 300 CA ALA A 18 -6.055 11.814 16.225 1.00 0.00 C ATOM 301 C ALA A 18 -5.061 11.678 17.399 1.00 0.00 C ATOM 302 O ALA A 18 -5.020 12.550 18.279 1.00 0.00 O ATOM 303 CB ALA A 18 -7.301 10.956 16.464 1.00 0.00 C ATOM 0 H ALA A 18 -6.043 10.854 14.358 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.338 12.866 16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.744 11.218 17.425 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.025 11.137 15.669 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.022 9.902 16.468 1.00 0.00 H new ATOM 309 N ILE A 19 -4.234 10.614 17.374 1.00 0.00 N ATOM 310 CA ILE A 19 -3.251 10.356 18.442 1.00 0.00 C ATOM 311 C ILE A 19 -2.083 11.380 18.412 1.00 0.00 C ATOM 312 O ILE A 19 -1.699 11.893 19.475 1.00 0.00 O ATOM 313 CB ILE A 19 -2.740 8.866 18.454 1.00 0.00 C ATOM 314 CG1 ILE A 19 -3.935 7.915 18.783 1.00 0.00 C ATOM 315 CG2 ILE A 19 -1.567 8.646 19.455 1.00 0.00 C ATOM 316 CD1 ILE A 19 -3.570 6.456 18.951 1.00 0.00 C ATOM 0 H ILE A 19 -4.228 9.921 16.626 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.776 10.499 19.386 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.346 8.637 17.464 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.412 8.261 19.700 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.675 7.999 17.987 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.253 7.603 19.424 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.729 9.286 19.179 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.898 8.895 20.463 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.467 5.880 19.177 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.123 6.084 18.029 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.856 6.351 19.768 1.00 0.00 H new ATOM 328 N ARG A 20 -1.511 11.703 17.233 1.00 0.00 N ATOM 329 CA ARG A 20 -0.436 12.710 17.129 1.00 0.00 C ATOM 330 C ARG A 20 -0.930 14.111 17.562 1.00 0.00 C ATOM 331 O ARG A 20 -0.164 14.854 18.181 1.00 0.00 O ATOM 332 CB ARG A 20 0.196 12.761 15.701 1.00 0.00 C ATOM 333 CG ARG A 20 -0.708 13.358 14.607 1.00 0.00 C ATOM 334 CD ARG A 20 -0.004 13.564 13.260 1.00 0.00 C ATOM 335 NE ARG A 20 -0.938 14.121 12.257 1.00 0.00 N ATOM 336 CZ ARG A 20 -0.678 15.121 11.398 1.00 0.00 C ATOM 337 NH1 ARG A 20 0.525 15.680 11.333 1.00 0.00 N ATOM 338 NH2 ARG A 20 -1.635 15.548 10.592 1.00 0.00 N ATOM 0 H ARG A 20 -1.775 11.282 16.342 1.00 0.00 H new ATOM 0 HA ARG A 20 0.349 12.397 17.817 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.116 13.344 15.748 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.475 11.749 15.408 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.566 12.701 14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.096 14.316 14.953 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.844 14.237 13.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.394 12.614 12.904 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.869 13.706 12.213 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.274 15.351 11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.700 16.438 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.560 15.119 10.626 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.449 16.307 9.936 1.00 0.00 H new ATOM 352 N HIS A 21 -2.201 14.484 17.229 1.00 0.00 N ATOM 353 CA HIS A 21 -2.804 15.767 17.651 1.00 0.00 C ATOM 354 C HIS A 21 -2.954 15.862 19.162 1.00 0.00 C ATOM 355 O HIS A 21 -2.565 16.853 19.764 1.00 0.00 O ATOM 356 CB HIS A 21 -4.202 15.917 16.999 1.00 0.00 C ATOM 357 CG HIS A 21 -4.843 17.271 17.237 1.00 0.00 C ATOM 358 ND1 HIS A 21 -5.897 17.470 18.106 1.00 0.00 N ATOM 359 CD2 HIS A 21 -4.553 18.497 16.726 1.00 0.00 C ATOM 360 CE1 HIS A 21 -6.223 18.748 18.120 1.00 0.00 C ATOM 361 NE2 HIS A 21 -5.424 19.394 17.295 1.00 0.00 N ATOM 0 H HIS A 21 -2.823 13.904 16.666 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.136 16.565 17.327 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.112 15.751 15.925 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -4.860 15.140 17.388 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.781 18.724 16.006 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -7.013 19.191 18.709 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -5.448 20.397 17.109 1.00 0.00 H new ATOM 370 N GLN A 22 -3.539 14.809 19.740 1.00 0.00 N ATOM 371 CA GLN A 22 -3.837 14.769 21.185 1.00 0.00 C ATOM 372 C GLN A 22 -2.541 14.845 22.002 1.00 0.00 C ATOM 373 O GLN A 22 -2.543 15.370 23.112 1.00 0.00 O ATOM 374 CB GLN A 22 -4.710 13.539 21.559 1.00 0.00 C ATOM 375 CG GLN A 22 -4.021 12.180 21.422 1.00 0.00 C ATOM 376 CD GLN A 22 -4.935 10.968 21.579 1.00 0.00 C ATOM 377 OE1 GLN A 22 -6.138 11.039 21.345 1.00 0.00 O ATOM 378 NE2 GLN A 22 -4.347 9.823 21.880 1.00 0.00 N ATOM 0 H GLN A 22 -3.818 13.969 19.233 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.432 15.646 21.438 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.048 13.654 22.589 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.600 13.541 20.930 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.543 12.130 20.444 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.228 12.116 22.167 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.345 9.799 22.069 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.895 8.964 21.923 1.00 0.00 H new ATOM 387 N GLN A 23 -1.421 14.336 21.450 1.00 0.00 N ATOM 388 CA GLN A 23 -0.083 14.489 22.041 1.00 0.00 C ATOM 389 C GLN A 23 0.586 15.818 21.681 1.00 0.00 C ATOM 390 O GLN A 23 1.544 16.188 22.339 1.00 0.00 O ATOM 391 CB GLN A 23 0.813 13.336 21.581 1.00 0.00 C ATOM 392 CG GLN A 23 0.268 11.978 21.976 1.00 0.00 C ATOM 393 CD GLN A 23 1.123 10.838 21.477 1.00 0.00 C ATOM 394 OE1 GLN A 23 0.917 10.333 20.389 1.00 0.00 O ATOM 395 NE2 GLN A 23 2.086 10.425 22.272 1.00 0.00 N ATOM 0 H GLN A 23 -1.423 13.806 20.579 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.213 14.476 23.123 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.924 13.377 20.497 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.808 13.462 22.008 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.194 11.923 23.062 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.742 11.868 21.582 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.228 10.874 23.177 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.691 9.656 21.983 1.00 0.00 H new ATOM 404 N ALA A 24 0.154 16.478 20.588 1.00 0.00 N ATOM 405 CA ALA A 24 0.581 17.859 20.277 1.00 0.00 C ATOM 406 C ALA A 24 0.024 18.856 21.308 1.00 0.00 C ATOM 407 O ALA A 24 0.764 19.732 21.771 1.00 0.00 O ATOM 408 CB ALA A 24 0.168 18.250 18.850 1.00 0.00 C ATOM 0 H ALA A 24 -0.490 16.078 19.905 1.00 0.00 H new ATOM 0 HA ALA A 24 1.669 17.896 20.334 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.493 19.270 18.644 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.634 17.570 18.137 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.916 18.188 18.755 1.00 0.00 H new ATOM 414 N ASP A 25 -1.295 18.762 21.624 1.00 0.00 N ATOM 415 CA ASP A 25 -1.873 19.473 22.794 1.00 0.00 C ATOM 416 C ASP A 25 -1.106 19.176 24.095 1.00 0.00 C ATOM 417 O ASP A 25 -1.045 20.016 24.991 1.00 0.00 O ATOM 418 CB ASP A 25 -3.359 19.072 22.989 1.00 0.00 C ATOM 419 CG ASP A 25 -4.249 19.357 21.764 1.00 0.00 C ATOM 420 OD1 ASP A 25 -4.608 20.526 21.538 1.00 0.00 O ATOM 421 OD2 ASP A 25 -4.589 18.412 21.017 1.00 0.00 O ATOM 0 H ASP A 25 -1.968 18.209 21.093 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.792 20.539 22.583 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.410 18.009 23.223 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.760 19.608 23.849 1.00 0.00 H new ATOM 426 N LEU A 26 -0.523 17.972 24.165 1.00 0.00 N ATOM 427 CA LEU A 26 0.254 17.570 25.349 1.00 0.00 C ATOM 428 C LEU A 26 1.762 17.775 25.144 1.00 0.00 C ATOM 429 O LEU A 26 2.244 18.025 24.044 1.00 0.00 O ATOM 430 CB LEU A 26 -0.041 16.108 25.762 1.00 0.00 C ATOM 431 CG LEU A 26 -1.526 15.769 26.137 1.00 0.00 C ATOM 432 CD1 LEU A 26 -1.618 14.402 26.835 1.00 0.00 C ATOM 433 CD2 LEU A 26 -2.193 16.880 26.988 1.00 0.00 C ATOM 0 H LEU A 26 -0.572 17.268 23.429 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.065 18.222 26.162 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.261 15.455 24.943 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.591 15.861 26.615 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.085 15.716 25.203 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.658 14.190 27.085 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.240 13.627 26.168 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.022 14.418 27.747 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.219 16.594 27.219 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.635 17.012 27.915 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.194 17.816 26.429 1.00 0.00 H new ATOM 445 N SER A 27 2.451 17.780 26.270 1.00 0.00 N ATOM 446 CA SER A 27 3.912 17.750 26.323 1.00 0.00 C ATOM 447 C SER A 27 4.331 16.747 27.390 1.00 0.00 C ATOM 448 O SER A 27 3.521 16.353 28.243 1.00 0.00 O ATOM 449 CB SER A 27 4.483 19.146 26.663 1.00 0.00 C ATOM 450 OG SER A 27 5.898 19.157 26.621 1.00 0.00 O ATOM 0 H SER A 27 2.011 17.805 27.190 1.00 0.00 H new ATOM 0 HA SER A 27 4.303 17.458 25.348 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.092 19.880 25.959 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.146 19.445 27.655 1.00 0.00 H new ATOM 0 HG SER A 27 6.225 20.055 26.839 1.00 0.00 H new ATOM 456 N LEU A 28 5.599 16.345 27.338 1.00 0.00 N ATOM 457 CA LEU A 28 6.227 15.549 28.391 1.00 0.00 C ATOM 458 C LEU A 28 6.342 16.401 29.682 1.00 0.00 C ATOM 459 O LEU A 28 6.319 15.876 30.796 1.00 0.00 O ATOM 460 CB LEU A 28 7.612 15.043 27.871 1.00 0.00 C ATOM 461 CG LEU A 28 8.380 13.967 28.721 1.00 0.00 C ATOM 462 CD1 LEU A 28 9.202 14.582 29.874 1.00 0.00 C ATOM 463 CD2 LEU A 28 7.408 12.881 29.235 1.00 0.00 C ATOM 0 H LEU A 28 6.223 16.563 26.561 1.00 0.00 H new ATOM 0 HA LEU A 28 5.625 14.675 28.641 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.462 14.633 26.872 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.264 15.910 27.765 1.00 0.00 H new ATOM 0 HG LEU A 28 9.104 13.497 28.055 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.709 13.788 30.423 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.942 15.271 29.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.537 15.122 30.548 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.960 12.146 29.821 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.644 13.343 29.860 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.934 12.387 28.387 1.00 0.00 H new ATOM 475 N VAL A 29 6.435 17.729 29.507 1.00 0.00 N ATOM 476 CA VAL A 29 6.601 18.679 30.615 1.00 0.00 C ATOM 477 C VAL A 29 5.257 18.929 31.352 1.00 0.00 C ATOM 478 O VAL A 29 5.197 18.872 32.588 1.00 0.00 O ATOM 479 CB VAL A 29 7.218 20.032 30.094 1.00 0.00 C ATOM 480 CG1 VAL A 29 7.563 20.989 31.262 1.00 0.00 C ATOM 481 CG2 VAL A 29 8.464 19.762 29.201 1.00 0.00 C ATOM 0 H VAL A 29 6.397 18.174 28.590 1.00 0.00 H new ATOM 0 HA VAL A 29 7.292 18.240 31.334 1.00 0.00 H new ATOM 0 HB VAL A 29 6.463 20.527 29.483 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.986 21.911 30.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.658 21.218 31.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.288 20.512 31.921 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.874 20.710 28.852 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.219 19.231 29.781 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.173 19.155 28.344 1.00 0.00 H new ATOM 491 N GLU A 30 4.173 19.161 30.584 1.00 0.00 N ATOM 492 CA GLU A 30 2.847 19.504 31.172 1.00 0.00 C ATOM 493 C GLU A 30 2.084 18.243 31.630 1.00 0.00 C ATOM 494 O GLU A 30 1.373 18.282 32.634 1.00 0.00 O ATOM 495 CB GLU A 30 1.984 20.310 30.168 1.00 0.00 C ATOM 496 CG GLU A 30 1.570 19.523 28.916 1.00 0.00 C ATOM 497 CD GLU A 30 0.818 20.357 27.877 1.00 0.00 C ATOM 498 OE1 GLU A 30 1.478 21.006 27.044 1.00 0.00 O ATOM 499 OE2 GLU A 30 -0.429 20.363 27.888 1.00 0.00 O ATOM 0 H GLU A 30 4.181 19.120 29.565 1.00 0.00 H new ATOM 0 HA GLU A 30 3.037 20.124 32.048 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.086 20.659 30.677 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.539 21.196 29.859 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.462 19.102 28.452 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.942 18.685 29.218 1.00 0.00 H new ATOM 506 N ALA A 31 2.228 17.142 30.872 1.00 0.00 N ATOM 507 CA ALA A 31 1.503 15.885 31.124 1.00 0.00 C ATOM 508 C ALA A 31 2.461 14.704 30.939 1.00 0.00 C ATOM 509 O ALA A 31 2.377 13.976 29.962 1.00 0.00 O ATOM 510 CB ALA A 31 0.271 15.781 30.197 1.00 0.00 C ATOM 0 H ALA A 31 2.852 17.099 30.066 1.00 0.00 H new ATOM 0 HA ALA A 31 1.135 15.867 32.150 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.255 14.847 30.394 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.398 16.621 30.385 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.596 15.802 29.157 1.00 0.00 H new ATOM 516 N ALA A 32 3.396 14.559 31.892 1.00 0.00 N ATOM 517 CA ALA A 32 4.479 13.548 31.854 1.00 0.00 C ATOM 518 C ALA A 32 3.945 12.129 31.641 1.00 0.00 C ATOM 519 O ALA A 32 4.446 11.393 30.795 1.00 0.00 O ATOM 520 CB ALA A 32 5.309 13.619 33.143 1.00 0.00 C ATOM 0 H ALA A 32 3.426 15.147 32.725 1.00 0.00 H new ATOM 0 HA ALA A 32 5.113 13.782 30.999 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.102 12.873 33.106 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.749 14.612 33.238 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.666 13.423 34.001 1.00 0.00 H new ATOM 526 N ASP A 33 2.908 11.770 32.412 1.00 0.00 N ATOM 527 CA ASP A 33 2.263 10.452 32.368 1.00 0.00 C ATOM 528 C ASP A 33 1.376 10.317 31.120 1.00 0.00 C ATOM 529 O ASP A 33 1.631 9.463 30.289 1.00 0.00 O ATOM 530 CB ASP A 33 1.439 10.203 33.659 1.00 0.00 C ATOM 531 CG ASP A 33 0.753 8.825 33.672 1.00 0.00 C ATOM 532 OD1 ASP A 33 1.418 7.822 34.006 1.00 0.00 O ATOM 533 OD2 ASP A 33 -0.450 8.736 33.324 1.00 0.00 O ATOM 0 H ASP A 33 2.488 12.400 33.095 1.00 0.00 H new ATOM 0 HA ASP A 33 3.044 9.694 32.310 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.096 10.285 34.525 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.682 10.981 33.758 1.00 0.00 H new ATOM 538 N LYS A 34 0.336 11.170 31.037 1.00 0.00 N ATOM 539 CA LYS A 34 -0.696 11.133 29.955 1.00 0.00 C ATOM 540 C LYS A 34 -0.051 11.075 28.538 1.00 0.00 C ATOM 541 O LYS A 34 -0.416 10.237 27.714 1.00 0.00 O ATOM 542 CB LYS A 34 -1.643 12.375 30.101 1.00 0.00 C ATOM 543 CG LYS A 34 -3.150 12.120 29.829 1.00 0.00 C ATOM 544 CD LYS A 34 -3.464 11.642 28.393 1.00 0.00 C ATOM 545 CE LYS A 34 -4.966 11.453 28.148 1.00 0.00 C ATOM 546 NZ LYS A 34 -5.549 10.422 29.040 1.00 0.00 N ATOM 0 H LYS A 34 0.178 11.913 31.718 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.282 10.220 30.064 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.539 12.769 31.112 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.298 13.152 29.419 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.514 11.374 30.536 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.703 13.039 30.023 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.072 12.367 27.679 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.948 10.700 28.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.481 12.401 28.304 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.131 11.168 27.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.529 10.228 28.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.989 9.548 28.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.538 10.766 30.022 1.00 0.00 H new ATOM 560 N TYR A 35 0.962 11.932 28.332 1.00 0.00 N ATOM 561 CA TYR A 35 1.723 12.008 27.065 1.00 0.00 C ATOM 562 C TYR A 35 2.489 10.689 26.834 1.00 0.00 C ATOM 563 O TYR A 35 2.498 10.158 25.722 1.00 0.00 O ATOM 564 CB TYR A 35 2.688 13.220 27.074 1.00 0.00 C ATOM 565 CG TYR A 35 3.632 13.312 25.863 1.00 0.00 C ATOM 566 CD1 TYR A 35 3.187 13.806 24.638 1.00 0.00 C ATOM 567 CD2 TYR A 35 4.967 12.889 25.949 1.00 0.00 C ATOM 568 CE1 TYR A 35 4.032 13.876 23.549 1.00 0.00 C ATOM 569 CE2 TYR A 35 5.811 12.955 24.862 1.00 0.00 C ATOM 570 CZ TYR A 35 5.340 13.447 23.664 1.00 0.00 C ATOM 571 OH TYR A 35 6.175 13.505 22.572 1.00 0.00 O ATOM 0 H TYR A 35 1.281 12.595 29.038 1.00 0.00 H new ATOM 0 HA TYR A 35 1.023 12.151 26.242 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.097 14.135 27.125 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.290 13.179 27.982 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.164 14.139 24.539 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.341 12.504 26.886 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.671 14.266 22.609 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.835 12.623 24.948 1.00 0.00 H new ATOM 0 HH TYR A 35 6.394 12.596 22.279 1.00 0.00 H new ATOM 581 N ALA A 36 3.090 10.178 27.928 1.00 0.00 N ATOM 582 CA ALA A 36 3.893 8.941 27.902 1.00 0.00 C ATOM 583 C ALA A 36 3.038 7.719 27.527 1.00 0.00 C ATOM 584 O ALA A 36 3.510 6.842 26.798 1.00 0.00 O ATOM 585 CB ALA A 36 4.597 8.716 29.243 1.00 0.00 C ATOM 0 H ALA A 36 3.032 10.610 28.850 1.00 0.00 H new ATOM 0 HA ALA A 36 4.654 9.063 27.131 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.182 7.798 29.197 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.258 9.557 29.453 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.853 8.633 30.035 1.00 0.00 H new ATOM 591 N GLU A 37 1.784 7.660 28.012 1.00 0.00 N ATOM 592 CA GLU A 37 0.801 6.617 27.717 1.00 0.00 C ATOM 593 C GLU A 37 0.402 6.662 26.249 1.00 0.00 C ATOM 594 O GLU A 37 0.433 5.662 25.577 1.00 0.00 O ATOM 595 CB GLU A 37 -0.455 6.796 28.615 1.00 0.00 C ATOM 596 CG GLU A 37 -0.180 6.846 30.130 1.00 0.00 C ATOM 597 CD GLU A 37 0.435 5.555 30.684 1.00 0.00 C ATOM 598 OE1 GLU A 37 -0.313 4.576 30.890 1.00 0.00 O ATOM 599 OE2 GLU A 37 1.664 5.511 30.906 1.00 0.00 O ATOM 0 H GLU A 37 1.419 8.371 28.646 1.00 0.00 H new ATOM 0 HA GLU A 37 1.252 5.647 27.927 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.961 7.716 28.324 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.144 5.976 28.415 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.491 7.679 30.342 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.114 7.048 30.654 1.00 0.00 H new ATOM 606 N LEU A 38 -0.047 7.839 25.814 1.00 0.00 N ATOM 607 CA LEU A 38 -0.367 8.100 24.394 1.00 0.00 C ATOM 608 C LEU A 38 0.800 7.701 23.429 1.00 0.00 C ATOM 609 O LEU A 38 0.549 7.285 22.296 1.00 0.00 O ATOM 610 CB LEU A 38 -0.781 9.568 24.212 1.00 0.00 C ATOM 611 CG LEU A 38 -2.014 10.053 25.041 1.00 0.00 C ATOM 612 CD1 LEU A 38 -2.324 11.535 24.759 1.00 0.00 C ATOM 613 CD2 LEU A 38 -3.255 9.164 24.809 1.00 0.00 C ATOM 0 H LEU A 38 -0.202 8.641 26.425 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.208 7.463 24.120 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.071 10.197 24.469 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.993 9.734 23.156 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.750 9.960 26.095 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.186 11.845 25.349 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.462 12.145 25.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.544 11.666 23.699 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.087 9.538 25.405 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.526 9.186 23.753 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.029 8.139 25.105 1.00 0.00 H new ATOM 625 N GLU A 39 2.065 7.898 23.878 1.00 0.00 N ATOM 626 CA GLU A 39 3.284 7.367 23.188 1.00 0.00 C ATOM 627 C GLU A 39 3.298 5.816 23.128 1.00 0.00 C ATOM 628 O GLU A 39 3.754 5.239 22.153 1.00 0.00 O ATOM 629 CB GLU A 39 4.574 7.893 23.890 1.00 0.00 C ATOM 630 CG GLU A 39 4.884 9.402 23.685 1.00 0.00 C ATOM 631 CD GLU A 39 5.358 9.789 22.261 1.00 0.00 C ATOM 632 OE1 GLU A 39 4.646 9.511 21.270 1.00 0.00 O ATOM 633 OE2 GLU A 39 6.427 10.416 22.125 1.00 0.00 O ATOM 0 H GLU A 39 2.276 8.426 24.725 1.00 0.00 H new ATOM 0 HA GLU A 39 3.258 7.729 22.160 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.488 7.700 24.959 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.424 7.314 23.529 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.988 9.976 23.921 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.651 9.700 24.400 1.00 0.00 H new ATOM 640 N LYS A 40 2.872 5.197 24.231 1.00 0.00 N ATOM 641 CA LYS A 40 2.708 3.709 24.311 1.00 0.00 C ATOM 642 C LYS A 40 1.626 3.224 23.297 1.00 0.00 C ATOM 643 O LYS A 40 1.847 2.274 22.541 1.00 0.00 O ATOM 644 CB LYS A 40 2.370 3.235 25.748 1.00 0.00 C ATOM 645 CG LYS A 40 3.392 3.671 26.813 1.00 0.00 C ATOM 646 CD LYS A 40 3.018 3.189 28.237 1.00 0.00 C ATOM 647 CE LYS A 40 3.972 3.713 29.320 1.00 0.00 C ATOM 648 NZ LYS A 40 4.034 5.193 29.336 1.00 0.00 N ATOM 0 H LYS A 40 2.629 5.687 25.092 1.00 0.00 H new ATOM 0 HA LYS A 40 3.665 3.260 24.044 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.388 3.620 26.024 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.299 2.147 25.752 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.375 3.280 26.549 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.470 4.758 26.811 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.003 3.512 28.468 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.019 2.099 28.257 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.645 3.353 30.296 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.970 3.310 29.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.702 5.505 30.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.354 5.537 28.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.090 5.578 29.541 1.00 0.00 H new ATOM 662 N GLU A 41 0.455 3.894 23.356 1.00 0.00 N ATOM 663 CA GLU A 41 -0.685 3.681 22.418 1.00 0.00 C ATOM 664 C GLU A 41 -0.240 3.781 20.943 1.00 0.00 C ATOM 665 O GLU A 41 -0.626 2.966 20.099 1.00 0.00 O ATOM 666 CB GLU A 41 -1.797 4.734 22.695 1.00 0.00 C ATOM 667 CG GLU A 41 -2.332 4.747 24.143 1.00 0.00 C ATOM 668 CD GLU A 41 -2.883 3.389 24.599 1.00 0.00 C ATOM 669 OE1 GLU A 41 -4.048 3.080 24.287 1.00 0.00 O ATOM 670 OE2 GLU A 41 -2.150 2.618 25.265 1.00 0.00 O ATOM 0 H GLU A 41 0.266 4.607 24.061 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.070 2.675 22.587 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.407 5.724 22.458 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.630 4.549 22.017 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.530 5.051 24.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.119 5.497 24.226 1.00 0.00 H new ATOM 677 N LYS A 42 0.575 4.802 20.695 1.00 0.00 N ATOM 678 CA LYS A 42 1.171 5.060 19.380 1.00 0.00 C ATOM 679 C LYS A 42 2.100 3.887 19.012 1.00 0.00 C ATOM 680 O LYS A 42 1.893 3.241 18.005 1.00 0.00 O ATOM 681 CB LYS A 42 1.953 6.398 19.367 1.00 0.00 C ATOM 682 CG LYS A 42 2.666 6.698 18.022 1.00 0.00 C ATOM 683 CD LYS A 42 3.616 7.915 18.082 1.00 0.00 C ATOM 684 CE LYS A 42 2.879 9.229 18.344 1.00 0.00 C ATOM 685 NZ LYS A 42 3.811 10.366 18.512 1.00 0.00 N ATOM 0 H LYS A 42 0.845 5.482 21.405 1.00 0.00 H new ATOM 0 HA LYS A 42 0.374 5.144 18.641 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.264 7.212 19.591 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.696 6.381 20.165 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.234 5.819 17.718 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.914 6.873 17.253 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.355 7.755 18.867 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.162 7.991 17.142 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.201 9.436 17.516 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.266 9.128 19.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.283 11.260 18.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.274 10.301 19.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.532 10.337 17.763 1.00 0.00 H new ATOM 699 N ALA A 43 3.096 3.629 19.882 1.00 0.00 N ATOM 700 CA ALA A 43 4.148 2.585 19.714 1.00 0.00 C ATOM 701 C ALA A 43 3.574 1.196 19.364 1.00 0.00 C ATOM 702 O ALA A 43 4.134 0.481 18.521 1.00 0.00 O ATOM 703 CB ALA A 43 5.019 2.500 20.979 1.00 0.00 C ATOM 0 H ALA A 43 3.201 4.153 20.751 1.00 0.00 H new ATOM 0 HA ALA A 43 4.760 2.891 18.866 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.783 1.734 20.844 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.498 3.463 21.157 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.394 2.242 21.834 1.00 0.00 H new ATOM 709 N THR A 44 2.435 0.847 19.986 1.00 0.00 N ATOM 710 CA THR A 44 1.667 -0.386 19.776 1.00 0.00 C ATOM 711 C THR A 44 0.949 -0.360 18.430 1.00 0.00 C ATOM 712 O THR A 44 1.009 -1.332 17.684 1.00 0.00 O ATOM 713 CB THR A 44 0.634 -0.584 20.937 1.00 0.00 C ATOM 714 OG1 THR A 44 1.324 -0.521 22.204 1.00 0.00 O ATOM 715 CG2 THR A 44 -0.131 -1.924 20.829 1.00 0.00 C ATOM 0 H THR A 44 2.005 1.452 20.686 1.00 0.00 H new ATOM 0 HA THR A 44 2.363 -1.225 19.774 1.00 0.00 H new ATOM 0 HB THR A 44 -0.103 0.215 20.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.550 0.411 22.408 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.833 -2.010 21.658 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.677 -1.956 19.886 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.577 -2.751 20.867 1.00 0.00 H new ATOM 723 N LEU A 45 0.224 0.756 18.189 1.00 0.00 N ATOM 724 CA LEU A 45 -0.424 0.981 16.876 1.00 0.00 C ATOM 725 C LEU A 45 0.578 0.790 15.734 1.00 0.00 C ATOM 726 O LEU A 45 0.289 0.072 14.798 1.00 0.00 O ATOM 727 CB LEU A 45 -1.120 2.368 16.735 1.00 0.00 C ATOM 728 CG LEU A 45 -2.615 2.462 17.186 1.00 0.00 C ATOM 729 CD1 LEU A 45 -3.220 3.815 16.790 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.463 1.301 16.620 1.00 0.00 C ATOM 0 H LEU A 45 0.074 1.500 18.870 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.213 0.231 16.815 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.546 3.095 17.310 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.062 2.671 15.690 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.630 2.378 18.273 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.260 3.857 17.114 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.658 4.618 17.267 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.172 3.932 15.707 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.494 1.405 16.958 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.434 1.326 15.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.060 0.351 16.972 1.00 0.00 H new ATOM 742 N GLU A 46 1.757 1.418 15.840 1.00 0.00 N ATOM 743 CA GLU A 46 2.825 1.331 14.847 1.00 0.00 C ATOM 744 C GLU A 46 3.298 -0.121 14.682 1.00 0.00 C ATOM 745 O GLU A 46 3.157 -0.672 13.593 1.00 0.00 O ATOM 746 CB GLU A 46 3.989 2.282 15.220 1.00 0.00 C ATOM 747 CG GLU A 46 3.564 3.760 15.343 1.00 0.00 C ATOM 748 CD GLU A 46 4.717 4.721 15.674 1.00 0.00 C ATOM 749 OE1 GLU A 46 5.202 4.706 16.829 1.00 0.00 O ATOM 750 OE2 GLU A 46 5.133 5.510 14.791 1.00 0.00 O ATOM 0 H GLU A 46 1.995 2.011 16.635 1.00 0.00 H new ATOM 0 HA GLU A 46 2.435 1.654 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.423 1.958 16.166 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.771 2.199 14.465 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.102 4.073 14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.802 3.844 16.118 1.00 0.00 H new ATOM 757 N ALA A 47 3.937 -0.718 15.725 1.00 0.00 N ATOM 758 CA ALA A 47 4.269 -2.157 15.848 1.00 0.00 C ATOM 759 C ALA A 47 3.256 -3.093 15.150 1.00 0.00 C ATOM 760 O ALA A 47 3.651 -3.942 14.361 1.00 0.00 O ATOM 761 CB ALA A 47 4.390 -2.531 17.337 1.00 0.00 C ATOM 0 H ALA A 47 4.246 -0.182 16.536 1.00 0.00 H new ATOM 0 HA ALA A 47 5.220 -2.303 15.335 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.634 -3.589 17.428 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.178 -1.936 17.799 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.444 -2.333 17.840 1.00 0.00 H new ATOM 767 N GLU A 48 1.960 -2.885 15.416 1.00 0.00 N ATOM 768 CA GLU A 48 0.818 -3.616 14.842 1.00 0.00 C ATOM 769 C GLU A 48 0.706 -3.397 13.320 1.00 0.00 C ATOM 770 O GLU A 48 0.927 -4.307 12.541 1.00 0.00 O ATOM 771 CB GLU A 48 -0.484 -3.122 15.554 1.00 0.00 C ATOM 772 CG GLU A 48 -1.780 -3.838 15.136 1.00 0.00 C ATOM 773 CD GLU A 48 -1.944 -5.223 15.794 1.00 0.00 C ATOM 774 OE1 GLU A 48 -2.319 -5.283 16.984 1.00 0.00 O ATOM 775 OE2 GLU A 48 -1.680 -6.257 15.143 1.00 0.00 O ATOM 0 H GLU A 48 1.662 -2.164 16.073 1.00 0.00 H new ATOM 0 HA GLU A 48 0.963 -4.685 15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.356 -3.239 16.630 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.600 -2.056 15.361 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.634 -3.214 15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.791 -3.953 14.052 1.00 0.00 H new ATOM 782 N ILE A 49 0.345 -2.156 12.976 1.00 0.00 N ATOM 783 CA ILE A 49 0.038 -1.779 11.578 1.00 0.00 C ATOM 784 C ILE A 49 1.207 -2.136 10.613 1.00 0.00 C ATOM 785 O ILE A 49 0.959 -2.662 9.527 1.00 0.00 O ATOM 786 CB ILE A 49 -0.422 -0.275 11.425 1.00 0.00 C ATOM 787 CG1 ILE A 49 0.736 0.723 11.755 1.00 0.00 C ATOM 788 CG2 ILE A 49 -1.685 0.005 12.294 1.00 0.00 C ATOM 789 CD1 ILE A 49 0.356 2.195 11.754 1.00 0.00 C ATOM 0 H ILE A 49 0.256 -1.389 13.643 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.821 -2.382 11.284 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.689 -0.113 10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.140 0.471 12.736 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.538 0.573 11.032 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.985 1.046 12.174 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.498 -0.646 11.974 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.456 -0.188 13.342 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.232 2.797 11.995 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.016 2.474 10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.421 2.371 12.498 1.00 0.00 H new ATOM 801 N ALA A 50 2.470 -1.867 11.016 1.00 0.00 N ATOM 802 CA ALA A 50 3.695 -2.242 10.285 1.00 0.00 C ATOM 803 C ALA A 50 3.936 -3.767 10.248 1.00 0.00 C ATOM 804 O ALA A 50 4.493 -4.261 9.278 1.00 0.00 O ATOM 805 CB ALA A 50 4.894 -1.519 10.915 1.00 0.00 C ATOM 0 H ALA A 50 2.667 -1.369 11.884 1.00 0.00 H new ATOM 0 HA ALA A 50 3.570 -1.933 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.804 -1.791 10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.744 -0.441 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.986 -1.811 11.961 1.00 0.00 H new ATOM 811 N ARG A 51 3.597 -4.481 11.339 1.00 0.00 N ATOM 812 CA ARG A 51 3.599 -5.970 11.393 1.00 0.00 C ATOM 813 C ARG A 51 2.666 -6.528 10.295 1.00 0.00 C ATOM 814 O ARG A 51 3.048 -7.393 9.517 1.00 0.00 O ATOM 815 CB ARG A 51 3.193 -6.515 12.788 1.00 0.00 C ATOM 816 CG ARG A 51 3.561 -7.999 13.040 1.00 0.00 C ATOM 817 CD ARG A 51 5.084 -8.208 13.120 1.00 0.00 C ATOM 818 NE ARG A 51 5.463 -9.614 13.349 1.00 0.00 N ATOM 819 CZ ARG A 51 6.640 -10.030 13.850 1.00 0.00 C ATOM 820 NH1 ARG A 51 7.571 -9.163 14.220 1.00 0.00 N ATOM 821 NH2 ARG A 51 6.868 -11.321 13.994 1.00 0.00 N ATOM 0 H ARG A 51 3.311 -4.046 12.216 1.00 0.00 H new ATOM 0 HA ARG A 51 4.620 -6.308 11.214 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.669 -5.903 13.554 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.116 -6.397 12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.099 -8.335 13.969 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.152 -8.615 12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.542 -7.861 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.487 -7.593 13.925 1.00 0.00 H new ATOM 0 HE ARG A 51 4.777 -10.329 13.108 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.401 -8.162 14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.458 -9.497 14.598 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.154 -11.998 13.726 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.759 -11.642 14.373 1.00 0.00 H new ATOM 835 N LEU A 52 1.450 -5.979 10.260 1.00 0.00 N ATOM 836 CA LEU A 52 0.455 -6.248 9.206 1.00 0.00 C ATOM 837 C LEU A 52 1.021 -5.899 7.817 1.00 0.00 C ATOM 838 O LEU A 52 0.756 -6.606 6.837 1.00 0.00 O ATOM 839 CB LEU A 52 -0.889 -5.490 9.467 1.00 0.00 C ATOM 840 CG LEU A 52 -1.929 -6.201 10.393 1.00 0.00 C ATOM 841 CD1 LEU A 52 -2.292 -7.599 9.851 1.00 0.00 C ATOM 842 CD2 LEU A 52 -1.446 -6.275 11.850 1.00 0.00 C ATOM 0 H LEU A 52 1.119 -5.326 10.970 1.00 0.00 H new ATOM 0 HA LEU A 52 0.236 -7.315 9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.653 -4.519 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.365 -5.300 8.505 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.834 -5.593 10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.017 -8.070 10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.722 -7.502 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.394 -8.214 9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.199 -6.776 12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.512 -6.834 11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.284 -5.267 12.231 1.00 0.00 H new ATOM 854 N ARG A 53 1.824 -4.823 7.736 1.00 0.00 N ATOM 855 CA ARG A 53 2.441 -4.368 6.486 1.00 0.00 C ATOM 856 C ARG A 53 3.723 -5.149 6.131 1.00 0.00 C ATOM 857 O ARG A 53 4.117 -5.099 4.991 1.00 0.00 O ATOM 858 CB ARG A 53 2.745 -2.848 6.542 1.00 0.00 C ATOM 859 CG ARG A 53 1.502 -1.937 6.433 1.00 0.00 C ATOM 860 CD ARG A 53 1.861 -0.449 6.577 1.00 0.00 C ATOM 861 NE ARG A 53 2.897 -0.035 5.609 1.00 0.00 N ATOM 862 CZ ARG A 53 3.484 1.169 5.551 1.00 0.00 C ATOM 863 NH1 ARG A 53 3.186 2.131 6.413 1.00 0.00 N ATOM 864 NH2 ARG A 53 4.389 1.394 4.618 1.00 0.00 N ATOM 0 H ARG A 53 2.062 -4.245 8.542 1.00 0.00 H new ATOM 0 HA ARG A 53 1.715 -4.564 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.259 -2.628 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.433 -2.599 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.016 -2.101 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.783 -2.212 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.966 0.156 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.214 -0.257 7.590 1.00 0.00 H new ATOM 0 HE ARG A 53 3.193 -0.728 4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.494 1.965 7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.648 3.038 6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.632 0.658 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.846 2.304 4.559 1.00 0.00 H new ATOM 878 N GLU A 54 4.383 -5.842 7.089 1.00 0.00 N ATOM 879 CA GLU A 54 5.560 -6.702 6.772 1.00 0.00 C ATOM 880 C GLU A 54 5.071 -8.104 6.378 1.00 0.00 C ATOM 881 O GLU A 54 5.737 -8.828 5.664 1.00 0.00 O ATOM 882 CB GLU A 54 6.592 -6.757 7.928 1.00 0.00 C ATOM 883 CG GLU A 54 6.159 -7.543 9.174 1.00 0.00 C ATOM 884 CD GLU A 54 7.229 -7.551 10.272 1.00 0.00 C ATOM 885 OE1 GLU A 54 7.439 -6.494 10.912 1.00 0.00 O ATOM 886 OE2 GLU A 54 7.883 -8.598 10.485 1.00 0.00 O ATOM 0 H GLU A 54 4.129 -5.827 8.077 1.00 0.00 H new ATOM 0 HA GLU A 54 6.090 -6.256 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.514 -7.197 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.827 -5.736 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.241 -7.110 9.571 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.930 -8.570 8.889 1.00 0.00 H new ATOM 893 N VAL A 55 3.860 -8.426 6.846 1.00 0.00 N ATOM 894 CA VAL A 55 3.081 -9.551 6.301 1.00 0.00 C ATOM 895 C VAL A 55 2.783 -9.206 4.824 1.00 0.00 C ATOM 896 O VAL A 55 2.987 -10.016 3.926 1.00 0.00 O ATOM 897 CB VAL A 55 1.758 -9.837 7.113 1.00 0.00 C ATOM 898 CG1 VAL A 55 0.913 -10.957 6.461 1.00 0.00 C ATOM 899 CG2 VAL A 55 2.079 -10.194 8.585 1.00 0.00 C ATOM 0 H VAL A 55 3.395 -7.924 7.602 1.00 0.00 H new ATOM 0 HA VAL A 55 3.656 -10.474 6.382 1.00 0.00 H new ATOM 0 HB VAL A 55 1.167 -8.921 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.011 -11.123 7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.635 -10.661 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.496 -11.877 6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.151 -10.387 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.707 -11.084 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.605 -9.363 9.055 1.00 0.00 H new ATOM 909 N HIS A 56 2.366 -7.942 4.608 1.00 0.00 N ATOM 910 CA HIS A 56 2.194 -7.399 3.230 1.00 0.00 C ATOM 911 C HIS A 56 3.489 -6.757 2.628 1.00 0.00 C ATOM 912 O HIS A 56 3.381 -5.884 1.765 1.00 0.00 O ATOM 913 CB HIS A 56 1.031 -6.355 3.245 1.00 0.00 C ATOM 914 CG HIS A 56 -0.338 -6.929 3.544 1.00 0.00 C ATOM 915 ND1 HIS A 56 -1.497 -6.447 2.978 1.00 0.00 N ATOM 916 CD2 HIS A 56 -0.729 -7.935 4.369 1.00 0.00 C ATOM 917 CE1 HIS A 56 -2.527 -7.124 3.439 1.00 0.00 C ATOM 918 NE2 HIS A 56 -2.089 -8.032 4.281 1.00 0.00 N ATOM 0 H HIS A 56 2.143 -7.281 5.352 1.00 0.00 H new ATOM 0 HA HIS A 56 1.960 -8.243 2.581 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.258 -5.590 3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.996 -5.858 2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.083 -8.546 4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.560 -6.960 3.170 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -2.670 -8.701 4.787 1.00 0.00 H new ATOM 927 N SER A 57 4.700 -7.188 3.061 1.00 0.00 N ATOM 928 CA SER A 57 5.997 -6.767 2.433 1.00 0.00 C ATOM 929 C SER A 57 6.829 -8.003 2.064 1.00 0.00 C ATOM 930 O SER A 57 7.386 -8.078 0.967 1.00 0.00 O ATOM 931 CB SER A 57 6.810 -5.824 3.343 1.00 0.00 C ATOM 932 OG SER A 57 6.207 -4.546 3.427 1.00 0.00 O ATOM 0 H SER A 57 4.815 -7.830 3.845 1.00 0.00 H new ATOM 0 HA SER A 57 5.755 -6.209 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.890 -6.257 4.340 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.824 -5.726 2.955 1.00 0.00 H new ATOM 0 HG SER A 57 5.502 -4.561 4.107 1.00 0.00 H new ATOM 938 N GLN A 58 6.924 -8.957 3.011 1.00 0.00 N ATOM 939 CA GLN A 58 7.413 -10.329 2.739 1.00 0.00 C ATOM 940 C GLN A 58 6.494 -10.977 1.684 1.00 0.00 C ATOM 941 O GLN A 58 6.926 -11.800 0.874 1.00 0.00 O ATOM 942 CB GLN A 58 7.405 -11.167 4.049 1.00 0.00 C ATOM 943 CG GLN A 58 8.247 -10.569 5.207 1.00 0.00 C ATOM 944 CD GLN A 58 7.877 -11.132 6.590 1.00 0.00 C ATOM 945 OE1 GLN A 58 7.479 -12.286 6.722 1.00 0.00 O ATOM 946 NE2 GLN A 58 7.962 -10.306 7.626 1.00 0.00 N ATOM 0 H GLN A 58 6.665 -8.802 3.985 1.00 0.00 H new ATOM 0 HA GLN A 58 8.436 -10.293 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.375 -11.278 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.777 -12.167 3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.302 -10.762 5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.118 -9.487 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.296 -9.352 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.694 -10.626 8.557 1.00 0.00 H new ATOM 955 N LYS A 59 5.198 -10.594 1.743 1.00 0.00 N ATOM 956 CA LYS A 59 4.202 -10.863 0.702 1.00 0.00 C ATOM 957 C LYS A 59 3.670 -9.496 0.198 1.00 0.00 C ATOM 958 O LYS A 59 2.546 -9.112 0.528 1.00 0.00 O ATOM 959 CB LYS A 59 3.027 -11.756 1.246 1.00 0.00 C ATOM 960 CG LYS A 59 3.415 -13.161 1.790 1.00 0.00 C ATOM 961 CD LYS A 59 4.008 -13.137 3.227 1.00 0.00 C ATOM 962 CE LYS A 59 4.413 -14.532 3.733 1.00 0.00 C ATOM 963 NZ LYS A 59 3.261 -15.474 3.780 1.00 0.00 N ATOM 0 H LYS A 59 4.816 -10.079 2.536 1.00 0.00 H new ATOM 0 HA LYS A 59 4.661 -11.419 -0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.524 -11.209 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.301 -11.890 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.532 -13.800 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.141 -13.614 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.880 -12.483 3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.275 -12.708 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.187 -14.941 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.847 -14.443 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.556 -16.361 4.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.485 -15.046 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.937 -15.674 2.812 1.00 0.00 H new ATOM 977 N LEU A 60 4.526 -8.735 -0.540 1.00 0.00 N ATOM 978 CA LEU A 60 4.214 -7.340 -0.976 1.00 0.00 C ATOM 979 C LEU A 60 3.022 -7.342 -1.954 1.00 0.00 C ATOM 980 O LEU A 60 3.220 -7.494 -3.159 1.00 0.00 O ATOM 981 CB LEU A 60 5.481 -6.636 -1.602 1.00 0.00 C ATOM 982 CG LEU A 60 5.530 -5.048 -1.627 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.887 -4.542 -2.181 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.359 -4.397 -2.419 1.00 0.00 C ATOM 0 H LEU A 60 5.441 -9.065 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 60 3.931 -6.759 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.358 -6.986 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.582 -6.987 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 60 5.418 -4.737 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.894 -3.452 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.697 -4.906 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.026 -4.912 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.460 -3.312 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.386 -4.738 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.410 -4.684 -1.967 1.00 0.00 H new ATOM 996 N SER A 61 1.794 -7.184 -1.392 1.00 0.00 N ATOM 997 CA SER A 61 0.515 -7.124 -2.145 1.00 0.00 C ATOM 998 C SER A 61 0.231 -8.429 -2.932 1.00 0.00 C ATOM 999 O SER A 61 1.114 -9.243 -3.139 1.00 0.00 O ATOM 1000 CB SER A 61 0.481 -5.885 -3.079 1.00 0.00 C ATOM 1001 OG SER A 61 -0.777 -5.747 -3.724 1.00 0.00 O ATOM 0 H SER A 61 1.665 -7.093 -0.384 1.00 0.00 H new ATOM 0 HA SER A 61 -0.284 -7.022 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.693 -4.987 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.267 -5.973 -3.829 1.00 0.00 H new ATOM 0 HG SER A 61 -0.763 -4.956 -4.303 1.00 0.00 H new ATOM 1007 N LYS A 62 -1.019 -8.605 -3.381 1.00 0.00 N ATOM 1008 CA LYS A 62 -1.428 -9.799 -4.142 1.00 0.00 C ATOM 1009 C LYS A 62 -0.744 -9.816 -5.526 1.00 0.00 C ATOM 1010 O LYS A 62 0.226 -10.574 -5.738 1.00 0.00 O ATOM 1011 CB LYS A 62 -2.973 -9.839 -4.268 1.00 0.00 C ATOM 1012 CG LYS A 62 -3.726 -9.926 -2.920 1.00 0.00 C ATOM 1013 CD LYS A 62 -5.244 -9.652 -3.070 1.00 0.00 C ATOM 1014 CE LYS A 62 -5.549 -8.212 -3.540 1.00 0.00 C ATOM 1015 NZ LYS A 62 -7.000 -7.956 -3.682 1.00 0.00 N ATOM 0 H LYS A 62 -1.771 -7.932 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.109 -10.694 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.305 -8.946 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.252 -10.696 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.580 -10.916 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.298 -9.208 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.667 -10.359 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.737 -9.829 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.127 -7.504 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.057 -8.034 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.150 -6.977 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.401 -8.612 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.469 -8.099 -2.765 1.00 0.00 H new ATOM 1029 N GLU A 63 -1.253 -8.982 -6.465 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.749 -8.799 -7.836 1.00 0.00 C ATOM 1031 C GLU A 63 0.771 -8.591 -7.871 1.00 0.00 C ATOM 1032 O GLU A 63 1.437 -9.201 -8.681 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.431 -7.558 -8.483 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.251 -7.423 -10.015 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.994 -8.513 -10.806 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.228 -8.637 -10.635 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -1.364 -9.250 -11.599 1.00 0.00 O ATOM 0 H GLU A 63 -2.064 -8.394 -6.272 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.985 -9.708 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.498 -7.595 -8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.037 -6.660 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.609 -6.444 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.189 -7.467 -10.256 1.00 0.00 H new ATOM 1044 N ALA A 64 1.297 -7.727 -6.976 1.00 0.00 N ATOM 1045 CA ALA A 64 2.720 -7.324 -6.977 1.00 0.00 C ATOM 1046 C ALA A 64 3.636 -8.496 -6.576 1.00 0.00 C ATOM 1047 O ALA A 64 4.641 -8.742 -7.248 1.00 0.00 O ATOM 1048 CB ALA A 64 2.941 -6.109 -6.059 1.00 0.00 C ATOM 0 H ALA A 64 0.749 -7.290 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 64 2.986 -7.035 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.994 -5.829 -6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.338 -5.272 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.648 -6.364 -5.041 1.00 0.00 H new ATOM 1054 N GLN A 65 3.318 -9.142 -5.425 1.00 0.00 N ATOM 1055 CA GLN A 65 4.057 -10.368 -4.990 1.00 0.00 C ATOM 1056 C GLN A 65 4.106 -11.390 -6.164 1.00 0.00 C ATOM 1057 O GLN A 65 5.157 -12.015 -6.434 1.00 0.00 O ATOM 1058 CB GLN A 65 3.400 -11.007 -3.727 1.00 0.00 C ATOM 1059 CG GLN A 65 4.284 -11.938 -2.848 1.00 0.00 C ATOM 1060 CD GLN A 65 4.614 -13.309 -3.442 1.00 0.00 C ATOM 1061 OE1 GLN A 65 3.853 -13.866 -4.231 1.00 0.00 O ATOM 1062 NE2 GLN A 65 5.735 -13.880 -3.029 1.00 0.00 N ATOM 0 H GLN A 65 2.575 -8.848 -4.791 1.00 0.00 H new ATOM 0 HA GLN A 65 5.074 -10.084 -4.719 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.031 -10.199 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.531 -11.579 -4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.220 -11.422 -2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.780 -12.090 -1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.345 -13.391 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.989 -14.809 -3.366 1.00 0.00 H new ATOM 1071 N LYS A 66 3.001 -11.518 -6.934 1.00 0.00 N ATOM 1072 CA LYS A 66 2.889 -12.360 -8.115 1.00 0.00 C ATOM 1073 C LYS A 66 3.729 -11.852 -9.305 1.00 0.00 C ATOM 1074 O LYS A 66 4.303 -12.674 -10.026 1.00 0.00 O ATOM 1075 CB LYS A 66 1.383 -12.496 -8.461 1.00 0.00 C ATOM 1076 CG LYS A 66 1.054 -13.403 -9.661 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.445 -13.805 -9.720 1.00 0.00 C ATOM 1078 CE LYS A 66 -1.388 -12.628 -10.025 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.224 -12.131 -11.413 1.00 0.00 N ATOM 0 H LYS A 66 2.139 -11.013 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 66 3.307 -13.342 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.861 -12.880 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.983 -11.502 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.324 -12.889 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.665 -14.304 -9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.577 -14.572 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.731 -14.251 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.421 -12.941 -9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.194 -11.816 -9.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.257 -11.092 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.308 -12.449 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.991 -12.503 -12.008 1.00 0.00 H new ATOM 1093 N LEU A 67 3.756 -10.519 -9.554 1.00 0.00 N ATOM 1094 CA LEU A 67 4.676 -9.896 -10.528 1.00 0.00 C ATOM 1095 C LEU A 67 6.123 -10.362 -10.297 1.00 0.00 C ATOM 1096 O LEU A 67 6.777 -10.831 -11.221 1.00 0.00 O ATOM 1097 CB LEU A 67 4.594 -8.332 -10.475 1.00 0.00 C ATOM 1098 CG LEU A 67 3.230 -7.673 -10.886 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.239 -6.139 -10.659 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.861 -7.999 -12.347 1.00 0.00 C ATOM 0 H LEU A 67 3.143 -9.852 -9.086 1.00 0.00 H new ATOM 0 HA LEU A 67 4.363 -10.218 -11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.830 -8.015 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.373 -7.930 -11.123 1.00 0.00 H new ATOM 0 HG LEU A 67 2.466 -8.103 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.277 -5.722 -10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.416 -5.928 -9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.030 -5.687 -11.257 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.911 -7.526 -12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.639 -7.623 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.772 -9.079 -12.468 1.00 0.00 H new ATOM 1112 N MET A 68 6.620 -10.161 -9.072 1.00 0.00 N ATOM 1113 CA MET A 68 7.900 -10.680 -8.553 1.00 0.00 C ATOM 1114 C MET A 68 8.154 -12.169 -8.882 1.00 0.00 C ATOM 1115 O MET A 68 9.299 -12.534 -9.160 1.00 0.00 O ATOM 1116 CB MET A 68 7.992 -10.436 -7.027 1.00 0.00 C ATOM 1117 CG MET A 68 7.896 -8.960 -6.636 1.00 0.00 C ATOM 1118 SD MET A 68 8.140 -8.682 -4.870 1.00 0.00 S ATOM 1119 CE MET A 68 7.969 -6.901 -4.775 1.00 0.00 C ATOM 0 H MET A 68 6.120 -9.606 -8.378 1.00 0.00 H new ATOM 0 HA MET A 68 8.686 -10.126 -9.067 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.194 -10.987 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 68 8.935 -10.840 -6.659 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.641 -8.393 -7.194 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.919 -8.575 -6.927 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.507 -6.530 -3.903 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.382 -6.447 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.914 -6.641 -4.688 1.00 0.00 H new ATOM 1129 N LYS A 69 7.113 -13.034 -8.842 1.00 0.00 N ATOM 1130 CA LYS A 69 7.268 -14.472 -9.255 1.00 0.00 C ATOM 1131 C LYS A 69 6.671 -14.790 -10.665 1.00 0.00 C ATOM 1132 O LYS A 69 6.331 -15.954 -10.945 1.00 0.00 O ATOM 1133 CB LYS A 69 6.623 -15.395 -8.176 1.00 0.00 C ATOM 1134 CG LYS A 69 5.100 -15.221 -8.034 1.00 0.00 C ATOM 1135 CD LYS A 69 4.460 -16.169 -7.003 1.00 0.00 C ATOM 1136 CE LYS A 69 2.935 -16.000 -6.934 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.318 -16.874 -5.913 1.00 0.00 N ATOM 0 H LYS A 69 6.173 -12.781 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 69 8.338 -14.664 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.838 -16.434 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.093 -15.195 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.886 -14.191 -7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.633 -15.386 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.699 -17.201 -7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.891 -15.979 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.697 -14.960 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.503 -16.223 -7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.289 -16.724 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.521 -17.869 -6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.709 -16.644 -4.977 1.00 0.00 H new ATOM 1151 N MET A 70 6.571 -13.780 -11.562 1.00 0.00 N ATOM 1152 CA MET A 70 6.077 -13.994 -12.957 1.00 0.00 C ATOM 1153 C MET A 70 7.073 -14.830 -13.794 1.00 0.00 C ATOM 1154 O MET A 70 8.278 -14.750 -13.570 1.00 0.00 O ATOM 1155 CB MET A 70 5.764 -12.647 -13.681 1.00 0.00 C ATOM 1156 CG MET A 70 4.342 -12.108 -13.453 1.00 0.00 C ATOM 1157 SD MET A 70 3.076 -13.220 -14.108 1.00 0.00 S ATOM 1158 CE MET A 70 1.607 -12.192 -14.066 1.00 0.00 C ATOM 0 H MET A 70 6.822 -12.814 -11.353 1.00 0.00 H new ATOM 0 HA MET A 70 5.146 -14.554 -12.870 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.480 -11.896 -13.347 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.919 -12.781 -14.751 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.178 -11.962 -12.385 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.245 -11.131 -13.927 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.803 -12.727 -13.561 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.824 -11.270 -13.527 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.300 -11.954 -15.084 1.00 0.00 H new ATOM 1168 N PRO A 71 6.575 -15.679 -14.743 1.00 0.00 N ATOM 1169 CA PRO A 71 7.441 -16.424 -15.671 1.00 0.00 C ATOM 1170 C PRO A 71 8.015 -15.546 -16.812 1.00 0.00 C ATOM 1171 O PRO A 71 9.219 -15.266 -16.822 1.00 0.00 O ATOM 1172 CB PRO A 71 6.517 -17.560 -16.185 1.00 0.00 C ATOM 1173 CG PRO A 71 5.136 -16.996 -16.105 1.00 0.00 C ATOM 1174 CD PRO A 71 5.141 -16.036 -14.929 1.00 0.00 C ATOM 0 HA PRO A 71 8.342 -16.801 -15.187 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.770 -17.843 -17.207 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.614 -18.456 -15.572 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.872 -16.480 -17.028 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.400 -17.787 -15.960 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.536 -15.153 -15.135 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.729 -16.503 -14.034 1.00 0.00 H new ATOM 1182 N PHE A 72 7.171 -15.134 -17.788 1.00 0.00 N ATOM 1183 CA PHE A 72 7.614 -14.507 -19.050 1.00 0.00 C ATOM 1184 C PHE A 72 7.433 -12.992 -18.901 1.00 0.00 C ATOM 1185 O PHE A 72 6.292 -12.527 -18.855 1.00 0.00 O ATOM 1186 CB PHE A 72 6.755 -15.007 -20.239 1.00 0.00 C ATOM 1187 CG PHE A 72 6.846 -16.505 -20.510 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.827 -17.025 -21.355 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.947 -17.390 -19.925 1.00 0.00 C ATOM 1190 CE1 PHE A 72 7.896 -18.379 -21.611 1.00 0.00 C ATOM 1191 CE2 PHE A 72 6.018 -18.742 -20.182 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.995 -19.239 -21.021 1.00 0.00 C ATOM 0 H PHE A 72 6.158 -15.229 -17.718 1.00 0.00 H new ATOM 0 HA PHE A 72 8.654 -14.765 -19.247 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.713 -14.749 -20.050 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.058 -14.471 -21.138 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.542 -16.359 -21.815 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.183 -17.013 -19.261 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.656 -18.765 -22.274 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.307 -19.415 -19.726 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.053 -20.300 -21.215 1.00 0.00 H new ATOM 1202 N GLN A 73 8.525 -12.204 -18.814 1.00 0.00 N ATOM 1203 CA GLN A 73 8.430 -10.774 -18.463 1.00 0.00 C ATOM 1204 C GLN A 73 9.602 -9.987 -19.084 1.00 0.00 C ATOM 1205 O GLN A 73 10.576 -10.574 -19.570 1.00 0.00 O ATOM 1206 CB GLN A 73 8.380 -10.566 -16.912 1.00 0.00 C ATOM 1207 CG GLN A 73 9.692 -10.808 -16.127 1.00 0.00 C ATOM 1208 CD GLN A 73 10.149 -12.263 -16.086 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.907 -12.722 -16.936 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.682 -13.004 -15.100 1.00 0.00 N ATOM 0 H GLN A 73 9.476 -12.532 -18.981 1.00 0.00 H new ATOM 0 HA GLN A 73 7.497 -10.390 -18.875 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.053 -9.545 -16.718 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.615 -11.228 -16.506 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.483 -10.205 -16.573 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.559 -10.454 -15.105 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.054 -12.595 -14.408 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.949 -13.986 -15.029 1.00 0.00 H new ATOM 1219 N ARG A 74 9.479 -8.653 -19.012 1.00 0.00 N ATOM 1220 CA ARG A 74 10.517 -7.699 -19.486 1.00 0.00 C ATOM 1221 C ARG A 74 10.101 -6.260 -19.148 1.00 0.00 C ATOM 1222 O ARG A 74 9.240 -6.035 -18.300 1.00 0.00 O ATOM 1223 CB ARG A 74 10.774 -7.842 -21.032 1.00 0.00 C ATOM 1224 CG ARG A 74 9.586 -7.393 -21.911 1.00 0.00 C ATOM 1225 CD ARG A 74 9.894 -7.307 -23.422 1.00 0.00 C ATOM 1226 NE ARG A 74 9.005 -6.323 -24.077 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.283 -6.507 -25.188 1.00 0.00 C ATOM 1228 NH1 ARG A 74 8.228 -7.677 -25.788 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.587 -5.506 -25.679 1.00 0.00 N ATOM 0 H ARG A 74 8.655 -8.194 -18.623 1.00 0.00 H new ATOM 0 HA ARG A 74 11.449 -7.936 -18.973 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.653 -7.255 -21.300 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.006 -8.883 -21.257 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.759 -8.088 -21.762 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.247 -6.416 -21.567 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.935 -7.021 -23.571 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.763 -8.287 -23.882 1.00 0.00 H new ATOM 0 HE ARG A 74 8.935 -5.407 -23.635 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.744 -8.470 -25.407 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.670 -7.790 -26.634 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.600 -4.599 -25.213 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.033 -5.637 -26.526 1.00 0.00 H new ATOM 1243 N ALA A 75 10.782 -5.280 -19.740 1.00 0.00 N ATOM 1244 CA ALA A 75 10.361 -3.873 -19.703 1.00 0.00 C ATOM 1245 C ALA A 75 9.662 -3.422 -21.019 1.00 0.00 C ATOM 1246 O ALA A 75 9.480 -4.198 -21.962 1.00 0.00 O ATOM 1247 CB ALA A 75 11.585 -3.014 -19.374 1.00 0.00 C ATOM 0 H ALA A 75 11.645 -5.436 -20.261 1.00 0.00 H new ATOM 0 HA ALA A 75 9.607 -3.746 -18.927 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.294 -1.964 -19.342 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.987 -3.309 -18.405 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.346 -3.156 -20.141 1.00 0.00 H new ATOM 1253 N ILE A 76 9.305 -2.128 -21.025 1.00 0.00 N ATOM 1254 CA ILE A 76 8.442 -1.555 -22.098 1.00 0.00 C ATOM 1255 C ILE A 76 9.075 -0.255 -22.625 1.00 0.00 C ATOM 1256 O ILE A 76 8.980 0.799 -21.986 1.00 0.00 O ATOM 1257 CB ILE A 76 6.951 -1.286 -21.650 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.277 -2.555 -21.005 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.104 -0.760 -22.839 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.150 -3.781 -21.910 1.00 0.00 C ATOM 0 H ILE A 76 9.591 -1.456 -20.313 1.00 0.00 H new ATOM 0 HA ILE A 76 8.387 -2.307 -22.885 1.00 0.00 H new ATOM 0 HB ILE A 76 6.987 -0.518 -20.878 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.851 -2.838 -20.123 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.281 -2.277 -20.661 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.081 -0.582 -22.507 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.533 0.172 -23.207 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.102 -1.500 -23.639 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.672 -4.592 -21.360 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.546 -3.529 -22.782 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.141 -4.098 -22.235 1.00 0.00 H new ATOM 1272 N THR A 77 9.766 -0.362 -23.769 1.00 0.00 N ATOM 1273 CA THR A 77 10.517 0.736 -24.401 1.00 0.00 C ATOM 1274 C THR A 77 9.602 1.667 -25.217 1.00 0.00 C ATOM 1275 O THR A 77 8.473 1.300 -25.535 1.00 0.00 O ATOM 1276 CB THR A 77 11.607 0.135 -25.346 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.983 -0.698 -26.341 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.651 -0.695 -24.572 1.00 0.00 C ATOM 0 H THR A 77 9.820 -1.235 -24.294 1.00 0.00 H new ATOM 0 HA THR A 77 10.975 1.327 -23.607 1.00 0.00 H new ATOM 0 HB THR A 77 12.124 0.969 -25.820 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.670 -1.071 -26.932 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.389 -1.093 -25.269 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.149 -0.061 -23.839 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.154 -1.519 -24.060 1.00 0.00 H new ATOM 1286 N LYS A 78 10.132 2.867 -25.570 1.00 0.00 N ATOM 1287 CA LYS A 78 9.486 3.858 -26.499 1.00 0.00 C ATOM 1288 C LYS A 78 8.945 3.217 -27.811 1.00 0.00 C ATOM 1289 O LYS A 78 7.969 3.700 -28.411 1.00 0.00 O ATOM 1290 CB LYS A 78 10.495 4.971 -26.867 1.00 0.00 C ATOM 1291 CG LYS A 78 11.027 5.782 -25.669 1.00 0.00 C ATOM 1292 CD LYS A 78 12.066 6.872 -26.052 1.00 0.00 C ATOM 1293 CE LYS A 78 11.493 8.007 -26.935 1.00 0.00 C ATOM 1294 NZ LYS A 78 11.294 7.626 -28.357 1.00 0.00 N ATOM 0 H LYS A 78 11.034 3.187 -25.217 1.00 0.00 H new ATOM 0 HA LYS A 78 8.631 4.266 -25.960 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.340 4.519 -27.386 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.019 5.656 -27.569 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.186 6.258 -25.164 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.482 5.097 -24.954 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.474 7.307 -25.140 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.895 6.400 -26.579 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.538 8.330 -26.519 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.166 8.863 -26.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.727 8.344 -28.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.739 6.703 -28.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.276 7.564 -28.561 1.00 0.00 H new ATOM 1308 N LYS A 79 9.592 2.108 -28.187 1.00 0.00 N ATOM 1309 CA LYS A 79 9.216 1.300 -29.353 1.00 0.00 C ATOM 1310 C LYS A 79 7.833 0.670 -29.132 1.00 0.00 C ATOM 1311 O LYS A 79 6.947 0.802 -29.972 1.00 0.00 O ATOM 1312 CB LYS A 79 10.282 0.228 -29.714 1.00 0.00 C ATOM 1313 CG LYS A 79 11.423 0.787 -30.597 1.00 0.00 C ATOM 1314 CD LYS A 79 12.225 -0.305 -31.334 1.00 0.00 C ATOM 1315 CE LYS A 79 13.118 0.292 -32.451 1.00 0.00 C ATOM 1316 NZ LYS A 79 13.879 -0.748 -33.185 1.00 0.00 N ATOM 0 H LYS A 79 10.401 1.742 -27.685 1.00 0.00 H new ATOM 0 HA LYS A 79 9.166 1.969 -30.212 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.706 -0.179 -28.796 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.798 -0.598 -30.235 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.000 1.473 -31.331 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.103 1.367 -29.973 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.848 -0.843 -30.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.537 -1.031 -31.768 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.495 0.845 -33.153 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.815 1.006 -32.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.460 -0.298 -33.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.495 -1.260 -32.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.216 -1.416 -33.628 1.00 0.00 H new ATOM 1330 N GLU A 80 7.638 0.047 -27.966 1.00 0.00 N ATOM 1331 CA GLU A 80 6.393 -0.655 -27.600 1.00 0.00 C ATOM 1332 C GLU A 80 5.378 0.324 -26.929 1.00 0.00 C ATOM 1333 O GLU A 80 4.187 0.030 -26.789 1.00 0.00 O ATOM 1334 CB GLU A 80 6.788 -1.796 -26.651 1.00 0.00 C ATOM 1335 CG GLU A 80 7.828 -2.766 -27.252 1.00 0.00 C ATOM 1336 CD GLU A 80 7.323 -3.455 -28.533 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.345 -4.233 -28.456 1.00 0.00 O ATOM 1338 OE2 GLU A 80 7.872 -3.204 -29.627 1.00 0.00 O ATOM 0 H GLU A 80 8.349 0.013 -27.235 1.00 0.00 H new ATOM 0 HA GLU A 80 5.894 -1.053 -28.484 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.189 -1.370 -25.731 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.894 -2.357 -26.379 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.744 -2.219 -27.475 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.082 -3.525 -26.512 1.00 0.00 H new ATOM 1345 N GLN A 81 5.908 1.515 -26.600 1.00 0.00 N ATOM 1346 CA GLN A 81 5.131 2.624 -26.029 1.00 0.00 C ATOM 1347 C GLN A 81 4.322 3.284 -27.146 1.00 0.00 C ATOM 1348 O GLN A 81 3.169 3.665 -26.927 1.00 0.00 O ATOM 1349 CB GLN A 81 6.021 3.661 -25.286 1.00 0.00 C ATOM 1350 CG GLN A 81 6.530 3.202 -23.898 1.00 0.00 C ATOM 1351 CD GLN A 81 7.537 4.175 -23.267 1.00 0.00 C ATOM 1352 OE1 GLN A 81 7.509 5.379 -23.527 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.421 3.669 -22.424 1.00 0.00 N ATOM 0 H GLN A 81 6.896 1.735 -26.725 1.00 0.00 H new ATOM 0 HA GLN A 81 4.458 2.219 -25.274 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.881 3.897 -25.913 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.454 4.584 -25.163 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.679 3.085 -23.227 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.995 2.221 -23.996 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.422 2.668 -22.226 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.101 4.279 -21.971 1.00 0.00 H new ATOM 1362 N ALA A 82 4.928 3.418 -28.349 1.00 0.00 N ATOM 1363 CA ALA A 82 4.307 4.070 -29.519 1.00 0.00 C ATOM 1364 C ALA A 82 2.982 3.409 -29.979 1.00 0.00 C ATOM 1365 O ALA A 82 2.079 4.110 -30.433 1.00 0.00 O ATOM 1366 CB ALA A 82 5.324 4.085 -30.683 1.00 0.00 C ATOM 0 H ALA A 82 5.870 3.073 -28.533 1.00 0.00 H new ATOM 0 HA ALA A 82 4.043 5.083 -29.215 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.875 4.565 -31.553 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.213 4.639 -30.382 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.602 3.062 -30.936 1.00 0.00 H new ATOM 1372 N ASP A 83 2.872 2.065 -29.857 1.00 0.00 N ATOM 1373 CA ASP A 83 1.697 1.297 -30.367 1.00 0.00 C ATOM 1374 C ASP A 83 1.227 0.295 -29.302 1.00 0.00 C ATOM 1375 O ASP A 83 1.638 -0.884 -29.296 1.00 0.00 O ATOM 1376 CB ASP A 83 2.023 0.572 -31.705 1.00 0.00 C ATOM 1377 CG ASP A 83 2.302 1.531 -32.876 1.00 0.00 C ATOM 1378 OD1 ASP A 83 3.438 2.042 -32.987 1.00 0.00 O ATOM 1379 OD2 ASP A 83 1.383 1.789 -33.685 1.00 0.00 O ATOM 0 H ASP A 83 3.581 1.484 -29.410 1.00 0.00 H new ATOM 0 HA ASP A 83 0.891 2.002 -30.571 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.891 -0.070 -31.558 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.188 -0.077 -31.969 1.00 0.00 H new ATOM 1384 N MET A 84 0.388 0.797 -28.377 1.00 0.00 N ATOM 1385 CA MET A 84 -0.019 0.069 -27.174 1.00 0.00 C ATOM 1386 C MET A 84 -0.816 -1.221 -27.455 1.00 0.00 C ATOM 1387 O MET A 84 -0.630 -2.196 -26.724 1.00 0.00 O ATOM 1388 CB MET A 84 -0.809 1.006 -26.205 1.00 0.00 C ATOM 1389 CG MET A 84 -0.296 0.939 -24.765 1.00 0.00 C ATOM 1390 SD MET A 84 1.449 1.420 -24.686 1.00 0.00 S ATOM 1391 CE MET A 84 1.948 0.805 -23.082 1.00 0.00 C ATOM 0 H MET A 84 -0.026 1.726 -28.450 1.00 0.00 H new ATOM 0 HA MET A 84 0.906 -0.255 -26.697 1.00 0.00 H new ATOM 0 HB2 MET A 84 -0.739 2.033 -26.563 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.864 0.733 -26.223 1.00 0.00 H new ATOM 0 HG2 MET A 84 -0.889 1.598 -24.131 1.00 0.00 H new ATOM 0 HG3 MET A 84 -0.418 -0.072 -24.377 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.034 0.844 -22.999 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.503 1.422 -22.301 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.612 -0.225 -22.967 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.691 -1.266 -28.493 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.525 -2.458 -28.724 1.00 0.00 C ATOM 1403 C GLY A 85 -1.694 -3.555 -29.356 1.00 0.00 C ATOM 1404 O GLY A 85 -1.604 -4.630 -28.821 1.00 0.00 O ATOM 0 H GLY A 85 -1.830 -0.509 -29.163 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.946 -2.806 -27.781 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.364 -2.205 -29.373 1.00 0.00 H new ATOM 1408 N LYS A 86 -1.023 -3.174 -30.463 1.00 0.00 N ATOM 1409 CA LYS A 86 0.101 -3.977 -31.068 1.00 0.00 C ATOM 1410 C LYS A 86 1.012 -4.616 -29.983 1.00 0.00 C ATOM 1411 O LYS A 86 1.355 -5.809 -30.043 1.00 0.00 O ATOM 1412 CB LYS A 86 0.910 -3.043 -32.022 1.00 0.00 C ATOM 1413 CG LYS A 86 2.049 -3.691 -32.867 1.00 0.00 C ATOM 1414 CD LYS A 86 3.391 -3.873 -32.114 1.00 0.00 C ATOM 1415 CE LYS A 86 3.925 -2.568 -31.501 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.265 -2.733 -30.893 1.00 0.00 N ATOM 0 H LYS A 86 -1.229 -2.313 -30.970 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.315 -4.811 -31.634 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.206 -2.573 -32.709 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.348 -2.246 -31.421 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.711 -4.665 -33.220 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.224 -3.075 -33.749 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.259 -4.611 -31.323 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.135 -4.274 -32.803 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.972 -1.800 -32.273 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.227 -2.214 -30.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.601 -1.815 -30.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.207 -3.408 -30.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.929 -3.093 -31.608 1.00 0.00 H new ATOM 1430 N LEU A 87 1.362 -3.743 -29.019 1.00 0.00 N ATOM 1431 CA LEU A 87 2.197 -4.211 -27.890 1.00 0.00 C ATOM 1432 C LEU A 87 1.429 -5.309 -27.081 1.00 0.00 C ATOM 1433 O LEU A 87 1.905 -6.444 -26.948 1.00 0.00 O ATOM 1434 CB LEU A 87 2.632 -3.069 -26.935 1.00 0.00 C ATOM 1435 CG LEU A 87 3.175 -3.527 -25.527 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.406 -4.472 -25.632 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.464 -2.318 -24.620 1.00 0.00 C ATOM 0 H LEU A 87 1.097 -2.758 -28.993 1.00 0.00 H new ATOM 0 HA LEU A 87 3.107 -4.624 -28.325 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.406 -2.482 -27.429 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.781 -2.407 -26.778 1.00 0.00 H new ATOM 0 HG LEU A 87 2.381 -4.113 -25.063 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.735 -4.754 -24.632 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.131 -5.368 -26.189 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.216 -3.958 -26.149 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.837 -2.667 -23.657 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.213 -1.681 -25.090 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.547 -1.749 -24.469 1.00 0.00 H new ATOM 1449 N LYS A 88 0.222 -4.971 -26.587 1.00 0.00 N ATOM 1450 CA LYS A 88 -0.424 -5.683 -25.455 1.00 0.00 C ATOM 1451 C LYS A 88 -1.419 -6.774 -25.916 1.00 0.00 C ATOM 1452 O LYS A 88 -1.800 -7.621 -25.115 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.151 -4.654 -24.553 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.225 -3.589 -23.925 1.00 0.00 C ATOM 1455 CD LYS A 88 -0.998 -2.499 -23.164 1.00 0.00 C ATOM 1456 CE LYS A 88 -1.862 -3.062 -22.024 1.00 0.00 C ATOM 1457 NZ LYS A 88 -2.635 -2.000 -21.353 1.00 0.00 N ATOM 0 H LYS A 88 -0.335 -4.200 -26.956 1.00 0.00 H new ATOM 0 HA LYS A 88 0.363 -6.192 -24.899 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.917 -4.150 -25.142 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.664 -5.189 -23.754 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.472 -4.077 -23.243 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.371 -3.124 -24.710 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.290 -1.778 -22.755 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.636 -1.958 -23.863 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.544 -3.814 -22.421 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.224 -3.563 -21.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.206 -2.416 -20.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.983 -1.296 -20.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.262 -1.539 -22.043 1.00 0.00 H new ATOM 1471 N LYS A 89 -1.798 -6.768 -27.213 1.00 0.00 N ATOM 1472 CA LYS A 89 -2.903 -7.626 -27.733 1.00 0.00 C ATOM 1473 C LYS A 89 -2.347 -9.000 -28.062 1.00 0.00 C ATOM 1474 O LYS A 89 -3.048 -10.004 -27.944 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.655 -7.003 -28.972 1.00 0.00 C ATOM 1476 CG LYS A 89 -2.864 -6.918 -30.321 1.00 0.00 C ATOM 1477 CD LYS A 89 -2.988 -8.171 -31.227 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.094 -8.090 -32.477 1.00 0.00 C ATOM 1479 NZ LYS A 89 -0.647 -8.056 -32.137 1.00 0.00 N ATOM 0 H LYS A 89 -1.360 -6.182 -27.924 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.657 -7.704 -26.950 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.559 -7.586 -29.147 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.973 -5.996 -28.703 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.214 -6.049 -30.877 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.810 -6.751 -30.098 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.722 -9.058 -30.652 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.027 -8.290 -31.535 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.294 -8.948 -33.119 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.352 -7.198 -33.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.103 -8.527 -32.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.334 -7.068 -32.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.491 -8.549 -31.235 1.00 0.00 H new ATOM 1493 N SER A 90 -1.097 -9.013 -28.549 1.00 0.00 N ATOM 1494 CA SER A 90 -0.294 -10.216 -28.762 1.00 0.00 C ATOM 1495 C SER A 90 -0.240 -11.043 -27.459 1.00 0.00 C ATOM 1496 O SER A 90 -0.632 -12.218 -27.408 1.00 0.00 O ATOM 1497 CB SER A 90 1.128 -9.744 -29.165 1.00 0.00 C ATOM 1498 OG SER A 90 1.072 -8.758 -30.183 1.00 0.00 O ATOM 0 H SER A 90 -0.607 -8.158 -28.812 1.00 0.00 H new ATOM 0 HA SER A 90 -0.723 -10.847 -29.540 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.641 -9.340 -28.292 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.712 -10.596 -29.512 1.00 0.00 H new ATOM 0 HG SER A 90 1.221 -7.873 -29.790 1.00 0.00 H new ATOM 1504 N VAL A 91 0.275 -10.369 -26.419 1.00 0.00 N ATOM 1505 CA VAL A 91 0.322 -10.906 -25.034 1.00 0.00 C ATOM 1506 C VAL A 91 -1.113 -11.195 -24.479 1.00 0.00 C ATOM 1507 O VAL A 91 -1.255 -11.884 -23.468 1.00 0.00 O ATOM 1508 CB VAL A 91 1.055 -9.916 -24.028 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.773 -10.697 -22.902 1.00 0.00 C ATOM 1510 CG2 VAL A 91 2.021 -8.942 -24.747 1.00 0.00 C ATOM 0 H VAL A 91 0.673 -9.434 -26.506 1.00 0.00 H new ATOM 0 HA VAL A 91 0.889 -11.835 -25.098 1.00 0.00 H new ATOM 0 HB VAL A 91 0.280 -9.300 -23.572 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.265 -9.995 -22.229 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.043 -11.284 -22.344 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.517 -11.363 -23.339 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.494 -8.290 -24.012 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.787 -9.512 -25.273 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.463 -8.338 -25.463 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.143 -10.629 -25.167 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.572 -10.618 -24.797 1.00 0.00 C ATOM 1522 C ARG A 92 -3.799 -9.559 -23.705 1.00 0.00 C ATOM 1523 O ARG A 92 -4.606 -8.640 -23.880 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.094 -12.040 -24.409 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.629 -12.248 -24.436 1.00 0.00 C ATOM 1526 CD ARG A 92 -6.392 -11.540 -23.290 1.00 0.00 C ATOM 1527 NE ARG A 92 -5.802 -11.833 -21.966 1.00 0.00 N ATOM 1528 CZ ARG A 92 -6.054 -11.163 -20.831 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -6.899 -10.142 -20.808 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -5.438 -11.513 -19.718 1.00 0.00 N ATOM 0 H ARG A 92 -1.979 -10.140 -26.047 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.169 -10.338 -25.665 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.640 -12.765 -25.084 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.737 -12.272 -23.406 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.015 -11.888 -25.390 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.839 -13.317 -24.390 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.384 -10.463 -23.460 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.435 -11.856 -23.300 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.146 -12.612 -21.911 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.372 -9.852 -21.664 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.076 -9.646 -19.934 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.775 -12.288 -19.724 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.625 -11.008 -18.851 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.072 -9.701 -22.592 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.095 -8.729 -21.513 1.00 0.00 C ATOM 1546 C GLY A 93 -2.014 -9.018 -20.489 1.00 0.00 C ATOM 1547 O GLY A 93 -2.193 -9.875 -19.615 1.00 0.00 O ATOM 0 H GLY A 93 -2.454 -10.495 -22.421 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.955 -7.727 -21.920 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.071 -8.743 -21.028 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.859 -8.344 -20.625 1.00 0.00 N ATOM 1552 CA LEU A 94 0.194 -8.346 -19.593 1.00 0.00 C ATOM 1553 C LEU A 94 -0.141 -7.257 -18.549 1.00 0.00 C ATOM 1554 O LEU A 94 -1.207 -6.629 -18.627 1.00 0.00 O ATOM 1555 CB LEU A 94 1.596 -8.084 -20.219 1.00 0.00 C ATOM 1556 CG LEU A 94 1.906 -6.622 -20.704 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.414 -6.337 -20.664 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.347 -6.339 -22.114 1.00 0.00 C ATOM 0 H LEU A 94 -0.629 -7.786 -21.447 1.00 0.00 H new ATOM 0 HA LEU A 94 0.229 -9.325 -19.116 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.351 -8.363 -19.484 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.716 -8.754 -21.070 1.00 0.00 H new ATOM 0 HG LEU A 94 1.400 -5.950 -20.011 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.601 -5.319 -21.005 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.779 -6.451 -19.643 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.934 -7.039 -21.316 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.588 -5.316 -22.402 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.793 -7.032 -22.828 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.265 -6.469 -22.109 1.00 0.00 H new ATOM 1570 N VAL A 95 0.759 -6.990 -17.590 1.00 0.00 N ATOM 1571 CA VAL A 95 0.606 -5.991 -16.523 1.00 0.00 C ATOM 1572 C VAL A 95 1.769 -4.992 -16.706 1.00 0.00 C ATOM 1573 O VAL A 95 2.904 -5.420 -16.695 1.00 0.00 O ATOM 1574 CB VAL A 95 0.669 -6.645 -15.091 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.536 -5.576 -13.975 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.408 -7.750 -14.940 1.00 0.00 C ATOM 0 H VAL A 95 1.649 -7.485 -17.535 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.367 -5.505 -16.593 1.00 0.00 H new ATOM 0 HB VAL A 95 1.648 -7.112 -14.981 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.583 -6.060 -13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.349 -4.856 -14.062 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.418 -5.060 -14.078 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.344 -8.186 -13.943 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.397 -7.316 -15.084 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.240 -8.526 -15.687 1.00 0.00 H new ATOM 1586 N VAL A 96 1.481 -3.681 -16.825 1.00 0.00 N ATOM 1587 CA VAL A 96 2.483 -2.642 -17.232 1.00 0.00 C ATOM 1588 C VAL A 96 2.504 -1.560 -16.150 1.00 0.00 C ATOM 1589 O VAL A 96 1.464 -0.944 -15.902 1.00 0.00 O ATOM 1590 CB VAL A 96 2.134 -1.966 -18.624 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.187 -0.896 -19.032 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.976 -3.020 -19.741 1.00 0.00 C ATOM 0 H VAL A 96 0.552 -3.300 -16.645 1.00 0.00 H new ATOM 0 HA VAL A 96 3.451 -3.130 -17.344 1.00 0.00 H new ATOM 0 HB VAL A 96 1.178 -1.459 -18.494 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.909 -0.459 -19.991 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.224 -0.114 -18.274 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.167 -1.365 -19.118 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.737 -2.522 -20.680 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.907 -3.576 -19.851 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.172 -3.708 -19.481 1.00 0.00 H new ATOM 1602 N VAL A 97 3.652 -1.314 -15.478 1.00 0.00 N ATOM 1603 CA VAL A 97 3.784 -0.397 -14.337 1.00 0.00 C ATOM 1604 C VAL A 97 4.806 0.704 -14.736 1.00 0.00 C ATOM 1605 O VAL A 97 5.938 0.380 -15.136 1.00 0.00 O ATOM 1606 CB VAL A 97 4.313 -1.157 -13.061 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.385 -0.222 -11.826 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.466 -2.424 -12.753 1.00 0.00 C ATOM 0 H VAL A 97 4.533 -1.764 -15.726 1.00 0.00 H new ATOM 0 HA VAL A 97 2.811 0.031 -14.096 1.00 0.00 H new ATOM 0 HB VAL A 97 5.328 -1.486 -13.286 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.754 -0.782 -10.967 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.061 0.607 -12.036 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.391 0.167 -11.606 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.862 -2.920 -11.867 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.430 -2.135 -12.575 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.511 -3.107 -13.601 1.00 0.00 H new ATOM 1618 N HIS A 98 4.398 1.978 -14.658 1.00 0.00 N ATOM 1619 CA HIS A 98 5.241 3.138 -15.023 1.00 0.00 C ATOM 1620 C HIS A 98 6.268 3.418 -13.882 1.00 0.00 C ATOM 1621 O HIS A 98 5.962 3.141 -12.715 1.00 0.00 O ATOM 1622 CB HIS A 98 4.303 4.356 -15.254 1.00 0.00 C ATOM 1623 CG HIS A 98 4.960 5.559 -15.867 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.532 6.546 -15.103 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.133 5.863 -17.173 1.00 0.00 C ATOM 1626 CE1 HIS A 98 6.034 7.414 -15.965 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.815 7.040 -17.223 1.00 0.00 N ATOM 0 H HIS A 98 3.466 2.241 -14.338 1.00 0.00 H new ATOM 0 HA HIS A 98 5.807 2.941 -15.934 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.480 4.044 -15.897 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.868 4.647 -14.298 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.794 5.281 -18.018 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.557 8.316 -15.683 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.103 7.540 -18.064 1.00 0.00 H new ATOM 1635 N PRO A 99 7.513 3.940 -14.183 1.00 0.00 N ATOM 1636 CA PRO A 99 8.513 4.242 -13.133 1.00 0.00 C ATOM 1637 C PRO A 99 8.068 5.393 -12.210 1.00 0.00 C ATOM 1638 O PRO A 99 8.102 5.236 -11.000 1.00 0.00 O ATOM 1639 CB PRO A 99 9.783 4.621 -13.930 1.00 0.00 C ATOM 1640 CG PRO A 99 9.257 5.113 -15.241 1.00 0.00 C ATOM 1641 CD PRO A 99 8.058 4.242 -15.534 1.00 0.00 C ATOM 0 HA PRO A 99 8.666 3.397 -12.462 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.360 5.391 -13.418 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.442 3.763 -14.062 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.976 6.165 -15.184 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.009 5.026 -16.025 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.327 4.760 -16.155 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.342 3.333 -16.065 1.00 0.00 H new ATOM 1649 N MET A 100 7.616 6.525 -12.802 1.00 0.00 N ATOM 1650 CA MET A 100 7.375 7.780 -12.042 1.00 0.00 C ATOM 1651 C MET A 100 6.115 7.690 -11.174 1.00 0.00 C ATOM 1652 O MET A 100 5.947 8.486 -10.241 1.00 0.00 O ATOM 1653 CB MET A 100 7.280 9.012 -12.971 1.00 0.00 C ATOM 1654 CG MET A 100 8.476 9.215 -13.909 1.00 0.00 C ATOM 1655 SD MET A 100 8.460 10.835 -14.713 1.00 0.00 S ATOM 1656 CE MET A 100 6.784 10.942 -15.357 1.00 0.00 C ATOM 0 H MET A 100 7.411 6.597 -13.799 1.00 0.00 H new ATOM 0 HA MET A 100 8.238 7.907 -11.389 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.376 8.924 -13.574 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.166 9.904 -12.355 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.401 9.103 -13.343 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.473 8.435 -14.671 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.595 11.954 -15.714 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.665 10.239 -16.181 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.074 10.698 -14.567 1.00 0.00 H new ATOM 1666 N THR A 101 5.216 6.746 -11.503 1.00 0.00 N ATOM 1667 CA THR A 101 4.071 6.409 -10.643 1.00 0.00 C ATOM 1668 C THR A 101 4.586 5.733 -9.362 1.00 0.00 C ATOM 1669 O THR A 101 5.581 4.999 -9.408 1.00 0.00 O ATOM 1670 CB THR A 101 3.046 5.473 -11.368 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.665 4.227 -11.717 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.462 6.121 -12.640 1.00 0.00 C ATOM 0 H THR A 101 5.262 6.201 -12.364 1.00 0.00 H new ATOM 0 HA THR A 101 3.547 7.333 -10.398 1.00 0.00 H new ATOM 0 HB THR A 101 2.228 5.301 -10.668 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.528 4.400 -12.149 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.757 5.434 -13.107 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.947 7.044 -12.374 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.269 6.343 -13.338 1.00 0.00 H new ATOM 1680 N ALA A 102 3.886 5.966 -8.242 1.00 0.00 N ATOM 1681 CA ALA A 102 4.322 5.531 -6.904 1.00 0.00 C ATOM 1682 C ALA A 102 4.544 4.011 -6.820 1.00 0.00 C ATOM 1683 O ALA A 102 5.437 3.577 -6.104 1.00 0.00 O ATOM 1684 CB ALA A 102 3.315 5.987 -5.834 1.00 0.00 C ATOM 0 H ALA A 102 2.996 6.464 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 102 5.285 6.005 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.653 5.657 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.240 7.074 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.338 5.553 -6.046 1.00 0.00 H new ATOM 1690 N LEU A 103 3.728 3.220 -7.575 1.00 0.00 N ATOM 1691 CA LEU A 103 3.809 1.738 -7.503 1.00 0.00 C ATOM 1692 C LEU A 103 5.192 1.309 -8.057 1.00 0.00 C ATOM 1693 O LEU A 103 5.913 0.514 -7.427 1.00 0.00 O ATOM 1694 CB LEU A 103 2.673 1.030 -8.306 1.00 0.00 C ATOM 1695 CG LEU A 103 2.667 -0.541 -8.216 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.467 -1.033 -6.760 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.618 -1.172 -9.170 1.00 0.00 C ATOM 0 H LEU A 103 3.025 3.576 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 103 3.685 1.436 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.712 1.402 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.757 1.317 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 103 3.650 -0.878 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.469 -2.123 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.277 -0.658 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.514 -0.665 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.647 -2.258 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.624 -0.812 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.845 -0.890 -10.198 1.00 0.00 H new ATOM 1709 N GLY A 104 5.583 1.895 -9.225 1.00 0.00 N ATOM 1710 CA GLY A 104 6.934 1.736 -9.758 1.00 0.00 C ATOM 1711 C GLY A 104 8.043 2.392 -8.963 1.00 0.00 C ATOM 1712 O GLY A 104 9.190 1.946 -9.059 1.00 0.00 O ATOM 0 H GLY A 104 4.972 2.475 -9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.150 0.670 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.953 2.138 -10.771 1.00 0.00 H new ATOM 1716 N ARG A 105 7.747 3.416 -8.139 1.00 0.00 N ATOM 1717 CA ARG A 105 8.793 4.093 -7.354 1.00 0.00 C ATOM 1718 C ARG A 105 8.997 3.325 -6.051 1.00 0.00 C ATOM 1719 O ARG A 105 10.071 3.394 -5.448 1.00 0.00 O ATOM 1720 CB ARG A 105 8.433 5.578 -7.042 1.00 0.00 C ATOM 1721 CG ARG A 105 8.330 6.469 -8.294 1.00 0.00 C ATOM 1722 CD ARG A 105 8.431 7.975 -8.017 1.00 0.00 C ATOM 1723 NE ARG A 105 7.322 8.484 -7.189 1.00 0.00 N ATOM 1724 CZ ARG A 105 7.441 9.419 -6.231 1.00 0.00 C ATOM 1725 NH1 ARG A 105 8.632 9.916 -5.902 1.00 0.00 N ATOM 1726 NH2 ARG A 105 6.360 9.840 -5.592 1.00 0.00 N ATOM 0 H ARG A 105 6.807 3.787 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 105 9.709 4.105 -7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.483 5.607 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.188 5.992 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.120 6.187 -8.990 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.381 6.267 -8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 105 9.376 8.184 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 105 8.446 8.513 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 105 6.393 8.097 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.471 9.587 -6.380 1.00 0.00 H new ATOM 0 HH12 ARG A 105 8.705 10.625 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.446 9.455 -5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.442 10.549 -4.864 1.00 0.00 H new ATOM 1740 N GLU A 106 7.955 2.573 -5.631 1.00 0.00 N ATOM 1741 CA GLU A 106 7.933 1.850 -4.362 1.00 0.00 C ATOM 1742 C GLU A 106 8.578 0.479 -4.562 1.00 0.00 C ATOM 1743 O GLU A 106 9.433 0.074 -3.763 1.00 0.00 O ATOM 1744 CB GLU A 106 6.473 1.694 -3.848 1.00 0.00 C ATOM 1745 CG GLU A 106 6.314 0.949 -2.506 1.00 0.00 C ATOM 1746 CD GLU A 106 7.060 1.620 -1.336 1.00 0.00 C ATOM 1747 OE1 GLU A 106 6.523 2.577 -0.743 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.185 1.190 -1.000 1.00 0.00 O ATOM 0 H GLU A 106 7.102 2.457 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 106 8.493 2.411 -3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.035 2.687 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.894 1.167 -4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.254 0.883 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.679 -0.072 -2.621 1.00 0.00 H new ATOM 1755 N MET A 107 8.199 -0.224 -5.674 1.00 0.00 N ATOM 1756 CA MET A 107 8.750 -1.580 -5.914 1.00 0.00 C ATOM 1757 C MET A 107 10.201 -1.422 -6.459 1.00 0.00 C ATOM 1758 O MET A 107 10.919 -2.405 -6.619 1.00 0.00 O ATOM 1759 CB MET A 107 7.881 -2.418 -6.907 1.00 0.00 C ATOM 1760 CG MET A 107 6.466 -2.781 -6.400 1.00 0.00 C ATOM 1761 SD MET A 107 5.740 -4.209 -7.254 1.00 0.00 S ATOM 1762 CE MET A 107 5.710 -3.702 -8.976 1.00 0.00 C ATOM 0 H MET A 107 7.546 0.112 -6.382 1.00 0.00 H new ATOM 0 HA MET A 107 8.746 -2.129 -4.972 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.784 -1.861 -7.839 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.413 -3.340 -7.141 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.514 -2.991 -5.332 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.810 -1.919 -6.526 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.335 -4.521 -9.590 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.058 -2.836 -9.089 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.719 -3.441 -9.296 1.00 0.00 H new ATOM 1772 N GLY A 108 10.596 -0.154 -6.761 1.00 0.00 N ATOM 1773 CA GLY A 108 11.996 0.223 -6.994 1.00 0.00 C ATOM 1774 C GLY A 108 12.392 0.336 -8.463 1.00 0.00 C ATOM 1775 O GLY A 108 13.582 0.456 -8.767 1.00 0.00 O ATOM 0 H GLY A 108 9.944 0.626 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.186 1.179 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.641 -0.513 -6.514 1.00 0.00 H new ATOM 1779 N LEU A 109 11.414 0.283 -9.378 1.00 0.00 N ATOM 1780 CA LEU A 109 11.634 0.289 -10.840 1.00 0.00 C ATOM 1781 C LEU A 109 12.125 1.684 -11.323 1.00 0.00 C ATOM 1782 O LEU A 109 11.572 2.716 -10.924 1.00 0.00 O ATOM 1783 CB LEU A 109 10.307 -0.108 -11.554 1.00 0.00 C ATOM 1784 CG LEU A 109 9.540 -1.337 -10.941 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.208 -1.598 -11.678 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.423 -2.613 -10.905 1.00 0.00 C ATOM 0 H LEU A 109 10.428 0.234 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 109 12.410 -0.434 -11.090 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.640 0.754 -11.545 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.530 -0.327 -12.598 1.00 0.00 H new ATOM 0 HG LEU A 109 9.303 -1.080 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.705 -2.454 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.569 -0.718 -11.598 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.408 -1.806 -12.729 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.854 -3.437 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.728 -2.873 -11.919 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.308 -2.426 -10.297 1.00 0.00 H new ATOM 1798 N GLU A 110 13.172 1.688 -12.179 1.00 0.00 N ATOM 1799 CA GLU A 110 13.809 2.922 -12.716 1.00 0.00 C ATOM 1800 C GLU A 110 13.343 3.231 -14.164 1.00 0.00 C ATOM 1801 O GLU A 110 13.750 4.242 -14.750 1.00 0.00 O ATOM 1802 CB GLU A 110 15.354 2.773 -12.669 1.00 0.00 C ATOM 1803 CG GLU A 110 15.907 1.614 -13.526 1.00 0.00 C ATOM 1804 CD GLU A 110 17.439 1.492 -13.457 1.00 0.00 C ATOM 1805 OE1 GLU A 110 18.135 2.179 -14.238 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.953 0.726 -12.615 1.00 0.00 O ATOM 0 H GLU A 110 13.605 0.831 -12.522 1.00 0.00 H new ATOM 0 HA GLU A 110 13.501 3.760 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.808 3.706 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.662 2.623 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.458 0.678 -13.194 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.606 1.761 -14.563 1.00 0.00 H new ATOM 1813 N GLU A 111 12.449 2.382 -14.697 1.00 0.00 N ATOM 1814 CA GLU A 111 11.916 2.535 -16.077 1.00 0.00 C ATOM 1815 C GLU A 111 10.598 1.767 -16.223 1.00 0.00 C ATOM 1816 O GLU A 111 10.177 1.063 -15.287 1.00 0.00 O ATOM 1817 CB GLU A 111 12.950 2.068 -17.135 1.00 0.00 C ATOM 1818 CG GLU A 111 13.368 0.591 -17.020 1.00 0.00 C ATOM 1819 CD GLU A 111 14.356 0.177 -18.112 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.519 0.643 -18.080 1.00 0.00 O ATOM 1821 OE2 GLU A 111 13.978 -0.588 -19.021 1.00 0.00 O ATOM 0 H GLU A 111 12.074 1.576 -14.197 1.00 0.00 H new ATOM 0 HA GLU A 111 11.723 3.593 -16.253 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.534 2.237 -18.128 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.841 2.691 -17.052 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.818 0.419 -16.042 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.481 -0.040 -17.078 1.00 0.00 H new ATOM 1828 N MET A 112 9.921 1.935 -17.385 1.00 0.00 N ATOM 1829 CA MET A 112 8.622 1.308 -17.630 1.00 0.00 C ATOM 1830 C MET A 112 8.786 -0.210 -17.780 1.00 0.00 C ATOM 1831 O MET A 112 9.582 -0.699 -18.573 1.00 0.00 O ATOM 1832 CB MET A 112 7.880 1.903 -18.853 1.00 0.00 C ATOM 1833 CG MET A 112 6.497 1.272 -19.082 1.00 0.00 C ATOM 1834 SD MET A 112 5.526 2.085 -20.373 1.00 0.00 S ATOM 1835 CE MET A 112 4.320 2.978 -19.391 1.00 0.00 C ATOM 0 H MET A 112 10.263 2.502 -18.161 1.00 0.00 H new ATOM 0 HA MET A 112 7.999 1.521 -16.761 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.764 2.978 -18.713 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.490 1.762 -19.745 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.626 0.222 -19.345 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.937 1.300 -18.148 1.00 0.00 H new ATOM 0 HE1 MET A 112 4.088 3.927 -19.874 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.411 2.384 -19.303 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.727 3.167 -18.398 1.00 0.00 H new ATOM 1845 N THR A 113 8.011 -0.890 -16.963 1.00 0.00 N ATOM 1846 CA THR A 113 8.090 -2.339 -16.800 1.00 0.00 C ATOM 1847 C THR A 113 6.780 -2.998 -17.241 1.00 0.00 C ATOM 1848 O THR A 113 5.738 -2.343 -17.275 1.00 0.00 O ATOM 1849 CB THR A 113 8.442 -2.679 -15.320 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.527 -1.840 -14.876 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.863 -4.140 -15.140 1.00 0.00 C ATOM 0 H THR A 113 7.296 -0.453 -16.382 1.00 0.00 H new ATOM 0 HA THR A 113 8.881 -2.737 -17.436 1.00 0.00 H new ATOM 0 HB THR A 113 7.541 -2.506 -14.731 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.053 -2.316 -14.200 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.097 -4.325 -14.092 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.048 -4.794 -15.450 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.743 -4.343 -15.750 1.00 0.00 H new ATOM 1859 N GLY A 114 6.855 -4.290 -17.603 1.00 0.00 N ATOM 1860 CA GLY A 114 5.663 -5.112 -17.786 1.00 0.00 C ATOM 1861 C GLY A 114 5.943 -6.599 -17.648 1.00 0.00 C ATOM 1862 O GLY A 114 6.908 -7.103 -18.218 1.00 0.00 O ATOM 0 H GLY A 114 7.733 -4.781 -17.773 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.910 -4.820 -17.054 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.241 -4.917 -18.772 1.00 0.00 H new ATOM 1866 N PHE A 115 5.082 -7.334 -16.935 1.00 0.00 N ATOM 1867 CA PHE A 115 5.293 -8.750 -16.622 1.00 0.00 C ATOM 1868 C PHE A 115 4.134 -9.548 -17.238 1.00 0.00 C ATOM 1869 O PHE A 115 3.070 -8.962 -17.502 1.00 0.00 O ATOM 1870 CB PHE A 115 5.284 -8.969 -15.080 1.00 0.00 C ATOM 1871 CG PHE A 115 6.193 -8.061 -14.237 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.808 -6.753 -13.919 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.392 -8.534 -13.712 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.592 -5.958 -13.104 1.00 0.00 C ATOM 1875 CE2 PHE A 115 8.178 -7.736 -12.906 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.780 -6.449 -12.600 1.00 0.00 C ATOM 0 H PHE A 115 4.212 -6.959 -16.556 1.00 0.00 H new ATOM 0 HA PHE A 115 6.254 -9.075 -17.021 1.00 0.00 H new ATOM 0 HB2 PHE A 115 4.260 -8.844 -14.727 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.565 -10.004 -14.884 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.884 -6.359 -14.317 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.712 -9.540 -13.939 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.276 -4.954 -12.862 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.108 -8.119 -12.513 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.397 -5.828 -11.968 1.00 0.00 H new ATOM 1886 N SER A 116 4.301 -10.887 -17.393 1.00 0.00 N ATOM 1887 CA SER A 116 3.125 -11.724 -17.733 1.00 0.00 C ATOM 1888 C SER A 116 3.340 -13.225 -17.445 1.00 0.00 C ATOM 1889 O SER A 116 4.448 -13.678 -17.098 1.00 0.00 O ATOM 1890 CB SER A 116 2.826 -11.543 -19.253 1.00 0.00 C ATOM 1891 OG SER A 116 1.562 -12.073 -19.619 1.00 0.00 O ATOM 0 H SER A 116 5.185 -11.386 -17.295 1.00 0.00 H new ATOM 0 HA SER A 116 2.295 -11.397 -17.107 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.860 -10.483 -19.504 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.606 -12.033 -19.836 1.00 0.00 H new ATOM 0 HG SER A 116 1.612 -12.443 -20.525 1.00 0.00 H new ATOM 1897 N LYS A 117 2.242 -13.987 -17.640 1.00 0.00 N ATOM 1898 CA LYS A 117 2.233 -15.460 -17.668 1.00 0.00 C ATOM 1899 C LYS A 117 2.492 -15.962 -19.100 1.00 0.00 C ATOM 1900 O LYS A 117 2.810 -17.133 -19.309 1.00 0.00 O ATOM 1901 CB LYS A 117 0.858 -15.992 -17.164 1.00 0.00 C ATOM 1902 CG LYS A 117 0.517 -15.650 -15.691 1.00 0.00 C ATOM 1903 CD LYS A 117 1.400 -16.415 -14.668 1.00 0.00 C ATOM 1904 CE LYS A 117 1.220 -17.943 -14.741 1.00 0.00 C ATOM 1905 NZ LYS A 117 2.057 -18.653 -13.743 1.00 0.00 N ATOM 0 H LYS A 117 1.317 -13.582 -17.785 1.00 0.00 H new ATOM 0 HA LYS A 117 3.022 -15.830 -17.013 1.00 0.00 H new ATOM 0 HB2 LYS A 117 0.074 -15.589 -17.805 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.840 -17.075 -17.282 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.638 -14.578 -15.536 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.531 -15.883 -15.503 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.447 -16.169 -14.845 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.158 -16.074 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.172 -18.192 -14.577 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.477 -18.290 -15.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.904 -19.678 -13.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.060 -18.437 -13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.795 -18.342 -12.786 1.00 0.00 H new ATOM 1919 N THR A 118 2.341 -15.051 -20.076 1.00 0.00 N ATOM 1920 CA THR A 118 2.461 -15.337 -21.512 1.00 0.00 C ATOM 1921 C THR A 118 3.638 -14.545 -22.101 1.00 0.00 C ATOM 1922 O THR A 118 3.923 -13.429 -21.654 1.00 0.00 O ATOM 1923 CB THR A 118 1.129 -14.976 -22.254 1.00 0.00 C ATOM 1924 OG1 THR A 118 0.681 -13.664 -21.860 1.00 0.00 O ATOM 1925 CG2 THR A 118 0.018 -15.994 -21.958 1.00 0.00 C ATOM 0 H THR A 118 2.127 -14.073 -19.882 1.00 0.00 H new ATOM 0 HA THR A 118 2.648 -16.402 -21.648 1.00 0.00 H new ATOM 0 HB THR A 118 1.339 -14.995 -23.323 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.061 -13.314 -22.533 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.889 -15.708 -22.491 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.335 -16.984 -22.286 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.182 -16.013 -20.887 1.00 0.00 H new ATOM 1933 N THR A 119 4.311 -15.138 -23.100 1.00 0.00 N ATOM 1934 CA THR A 119 5.542 -14.587 -23.689 1.00 0.00 C ATOM 1935 C THR A 119 5.260 -13.367 -24.586 1.00 0.00 C ATOM 1936 O THR A 119 4.184 -13.251 -25.193 1.00 0.00 O ATOM 1937 CB THR A 119 6.331 -15.690 -24.485 1.00 0.00 C ATOM 1938 OG1 THR A 119 7.569 -15.159 -25.002 1.00 0.00 O ATOM 1939 CG2 THR A 119 5.506 -16.296 -25.634 1.00 0.00 C ATOM 0 H THR A 119 4.015 -16.017 -23.524 1.00 0.00 H new ATOM 0 HA THR A 119 6.164 -14.246 -22.862 1.00 0.00 H new ATOM 0 HB THR A 119 6.544 -16.490 -23.776 1.00 0.00 H new ATOM 0 HG1 THR A 119 8.046 -15.860 -25.493 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.100 -17.051 -26.149 1.00 0.00 H new ATOM 0 HG22 THR A 119 4.604 -16.756 -25.231 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.229 -15.510 -26.337 1.00 0.00 H new ATOM 1947 N PHE A 120 6.250 -12.459 -24.640 1.00 0.00 N ATOM 1948 CA PHE A 120 6.206 -11.246 -25.461 1.00 0.00 C ATOM 1949 C PHE A 120 7.641 -10.716 -25.680 1.00 0.00 C ATOM 1950 O PHE A 120 8.336 -10.410 -24.686 1.00 0.00 O ATOM 1951 CB PHE A 120 5.261 -10.160 -24.852 1.00 0.00 C ATOM 1952 CG PHE A 120 5.578 -9.660 -23.429 1.00 0.00 C ATOM 1953 CD1 PHE A 120 5.514 -10.518 -22.328 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.935 -8.332 -23.201 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.785 -10.063 -21.054 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.206 -7.880 -21.929 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.140 -8.748 -20.856 1.00 0.00 C ATOM 1958 OXT PHE A 120 8.076 -10.598 -26.846 1.00 0.00 O ATOM 0 H PHE A 120 7.114 -12.553 -24.105 1.00 0.00 H new ATOM 0 HA PHE A 120 5.780 -11.498 -26.432 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.264 -9.299 -25.520 1.00 0.00 H new ATOM 0 HB3 PHE A 120 4.247 -10.559 -24.850 1.00 0.00 H new ATOM 0 HD1 PHE A 120 5.248 -11.554 -22.477 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.000 -7.648 -24.034 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.719 -10.738 -20.213 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.471 -6.845 -21.770 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.367 -8.394 -19.861 1.00 0.00 H new TER 1968 PHE A 120