USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -1.5 K(o=-3.8,f=-8.5!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -2.34 K(o=-3.8,f=-6.5!) USER MOD Set 2.1: A 19 HIS :FLIP no HD1:sc= -10.6! C(o=-13!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.3 USER MOD Set 3.1: A 31 GLN : amide:sc= -3.3! C(o=-5.3!,f=-19!) USER MOD Set 3.2: A 32 THR OG1 : rot 28:sc= 1.09 USER MOD Set 3.3: A 89 GLN :FLIP amide:sc= -3.11! C(o=-6.1!,f=-5.3!) USER MOD Set 4.1: A 10 MET CE :methyl -153:sc= -1.7 (180deg=-4.55!) USER MOD Set 4.2: A 70 MET CE :methyl 180:sc= -3.36! (180deg=-3.36!) USER MOD Set 5.1: A 6 THR OG1 : rot -14:sc= 0.759 USER MOD Set 5.2: A 38 HIS :FLIP no HD1:sc= -1.06 F(o=-1.4!,f=-0.3) USER MOD Single : A 1 MET CE :methyl -165:sc=-0.00969 (180deg=-0.332) USER MOD Single : A 1 MET N :NH3+ -111:sc= -1 (180deg=-3.83!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 4 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.4!) USER MOD Single : A 7 SER OG : rot 31:sc= -0.475 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -3.7 K(o=-3.7,f=-5.8!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -136:sc= 0.456 (180deg=-0.183) USER MOD Single : A 33 GLN : amide:sc= -4.92! C(o=-4.9!,f=-9.8!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -5.91! C(o=-5.9!,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.3!) USER MOD Single : A 49 SER OG : rot 180:sc= -0.209 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 56 THR OG1 : rot -102:sc= -0.145 USER MOD Single : A 60 ASN : amide:sc= -0.406 K(o=-0.41,f=-4.1!) USER MOD Single : A 64 SER OG : rot -109:sc= 0.452 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0228 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0571) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000204) USER MOD Single : A 104 SER OG : rot 41:sc= 0.0822 USER MOD Single : A 107 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.781 -1.574 -7.820 1.00 0.00 N ATOM 2 CA MET A 1 5.098 -3.025 -7.889 1.00 0.00 C ATOM 3 C MET A 1 4.029 -3.789 -8.667 1.00 0.00 C ATOM 4 O MET A 1 3.211 -3.192 -9.366 1.00 0.00 O ATOM 5 CB MET A 1 5.222 -3.567 -6.464 1.00 0.00 C ATOM 6 CG MET A 1 6.640 -3.965 -6.085 1.00 0.00 C ATOM 7 SD MET A 1 7.683 -2.543 -5.712 1.00 0.00 S ATOM 8 CE MET A 1 8.618 -2.400 -7.234 1.00 0.00 C ATOM 0 H1 MET A 1 5.466 -1.041 -8.394 1.00 0.00 H new ATOM 0 H2 MET A 1 3.821 -1.411 -8.186 1.00 0.00 H new ATOM 0 H3 MET A 1 4.834 -1.254 -6.832 1.00 0.00 H new ATOM 0 HA MET A 1 6.040 -3.162 -8.419 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.867 -2.810 -5.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.569 -4.433 -6.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.609 -4.625 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.085 -4.533 -6.902 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.479 -1.751 -7.073 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.961 -3.387 -7.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.984 -1.975 -8.012 1.00 0.00 H new ATOM 20 N THR A 2 4.049 -5.116 -8.550 1.00 0.00 N ATOM 21 CA THR A 2 3.088 -5.966 -9.252 1.00 0.00 C ATOM 22 C THR A 2 1.660 -5.498 -9.028 1.00 0.00 C ATOM 23 O THR A 2 0.837 -5.504 -9.943 1.00 0.00 O ATOM 24 CB THR A 2 3.238 -7.421 -8.803 1.00 0.00 C ATOM 25 OG1 THR A 2 4.525 -7.647 -8.254 1.00 0.00 O ATOM 26 CG2 THR A 2 3.037 -8.417 -9.925 1.00 0.00 C ATOM 0 H THR A 2 4.720 -5.626 -7.976 1.00 0.00 H new ATOM 0 HA THR A 2 3.302 -5.895 -10.318 1.00 0.00 H new ATOM 0 HB THR A 2 2.458 -7.575 -8.057 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.600 -8.582 -7.971 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.157 -9.429 -9.539 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.035 -8.303 -10.338 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.774 -8.237 -10.707 1.00 0.00 H new ATOM 31 N LEU A 3 1.386 -5.095 -7.806 1.00 0.00 N ATOM 32 CA LEU A 3 0.059 -4.612 -7.426 1.00 0.00 C ATOM 33 C LEU A 3 -1.006 -5.668 -7.708 1.00 0.00 C ATOM 34 O LEU A 3 -1.272 -6.003 -8.862 1.00 0.00 O ATOM 35 CB LEU A 3 -0.258 -3.312 -8.178 1.00 0.00 C ATOM 36 CG LEU A 3 -1.730 -2.867 -8.185 1.00 0.00 C ATOM 37 CD1 LEU A 3 -2.528 -3.652 -9.215 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.354 -3.009 -6.803 1.00 0.00 C ATOM 0 H LEU A 3 2.066 -5.089 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 3 0.056 -4.411 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.339 -2.511 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.069 -3.427 -9.211 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.757 -1.813 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.566 -3.320 -9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.106 -3.485 -10.206 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.484 -4.715 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.395 -2.687 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.307 -4.051 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.807 -2.390 -6.092 1.00 0.00 H new ATOM 44 N ASN A 4 -1.619 -6.187 -6.649 1.00 0.00 N ATOM 45 CA ASN A 4 -2.661 -7.197 -6.806 1.00 0.00 C ATOM 46 C ASN A 4 -3.841 -6.911 -5.883 1.00 0.00 C ATOM 47 O ASN A 4 -3.683 -6.340 -4.800 1.00 0.00 O ATOM 48 CB ASN A 4 -2.109 -8.601 -6.544 1.00 0.00 C ATOM 49 CG ASN A 4 -0.643 -8.736 -6.913 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.215 -8.291 -7.977 1.00 0.00 O ATOM 51 ND2 ASN A 4 0.134 -9.354 -6.031 1.00 0.00 N ATOM 0 H ASN A 4 -1.416 -5.929 -5.683 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.012 -7.153 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.237 -8.846 -5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.690 -9.327 -7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.128 -9.475 -6.224 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.263 -9.708 -5.161 1.00 0.00 H new ATOM 56 N ILE A 5 -5.032 -7.297 -6.328 1.00 0.00 N ATOM 57 CA ILE A 5 -6.246 -7.067 -5.558 1.00 0.00 C ATOM 58 C ILE A 5 -7.038 -8.358 -5.369 1.00 0.00 C ATOM 59 O ILE A 5 -6.856 -9.325 -6.107 1.00 0.00 O ATOM 60 CB ILE A 5 -7.151 -6.018 -6.238 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.334 -4.822 -6.721 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.221 -5.545 -5.269 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.405 -5.108 -7.868 1.00 0.00 C ATOM 0 H ILE A 5 -5.181 -7.771 -7.219 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.933 -6.693 -4.583 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.623 -6.488 -7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.020 -4.029 -7.018 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.748 -4.440 -5.885 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.854 -4.805 -5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.830 -6.394 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.748 -5.097 -4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.870 -4.198 -8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.689 -5.876 -7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.981 -5.458 -8.724 1.00 0.00 H new ATOM 67 N THR A 6 -7.921 -8.362 -4.372 1.00 0.00 N ATOM 68 CA THR A 6 -8.745 -9.530 -4.082 1.00 0.00 C ATOM 69 C THR A 6 -10.013 -9.129 -3.331 1.00 0.00 C ATOM 70 O THR A 6 -10.196 -9.482 -2.166 1.00 0.00 O ATOM 71 CB THR A 6 -7.949 -10.548 -3.263 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.785 -10.952 -3.961 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.738 -11.795 -2.925 1.00 0.00 C ATOM 0 H THR A 6 -8.083 -7.568 -3.752 1.00 0.00 H new ATOM 0 HA THR A 6 -9.036 -9.985 -5.029 1.00 0.00 H new ATOM 0 HB THR A 6 -7.696 -10.036 -2.334 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.854 -10.677 -4.899 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.114 -12.474 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.618 -11.522 -2.342 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.051 -12.288 -3.845 1.00 0.00 H new ATOM 78 N SER A 7 -10.888 -8.388 -4.006 1.00 0.00 N ATOM 79 CA SER A 7 -12.140 -7.940 -3.404 1.00 0.00 C ATOM 80 C SER A 7 -13.052 -9.120 -3.092 1.00 0.00 C ATOM 81 O SER A 7 -13.455 -9.857 -3.992 1.00 0.00 O ATOM 82 CB SER A 7 -12.870 -6.979 -4.342 1.00 0.00 C ATOM 83 OG SER A 7 -13.191 -7.610 -5.570 1.00 0.00 O ATOM 0 H SER A 7 -10.753 -8.085 -4.971 1.00 0.00 H new ATOM 0 HA SER A 7 -11.893 -7.428 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.782 -6.622 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.246 -6.106 -4.531 1.00 0.00 H new ATOM 0 HG SER A 7 -13.345 -8.566 -5.416 1.00 0.00 H new ATOM 89 N LYS A 8 -13.384 -9.295 -1.818 1.00 0.00 N ATOM 90 CA LYS A 8 -14.258 -10.387 -1.406 1.00 0.00 C ATOM 91 C LYS A 8 -15.615 -10.293 -2.106 1.00 0.00 C ATOM 92 O LYS A 8 -16.191 -11.307 -2.500 1.00 0.00 O ATOM 93 CB LYS A 8 -14.444 -10.381 0.118 1.00 0.00 C ATOM 94 CG LYS A 8 -15.654 -9.588 0.596 1.00 0.00 C ATOM 95 CD LYS A 8 -15.699 -9.491 2.113 1.00 0.00 C ATOM 96 CE LYS A 8 -17.070 -9.860 2.657 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.048 -10.065 4.131 1.00 0.00 N ATOM 0 H LYS A 8 -13.063 -8.698 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.787 -11.326 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.538 -11.410 0.465 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.547 -9.969 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.625 -8.586 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.566 -10.063 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.946 -10.152 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.446 -8.477 2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.782 -9.072 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.421 -10.770 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.002 -10.315 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.388 -10.834 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.738 -9.189 4.599 1.00 0.00 H new ATOM 111 N GLN A 9 -16.123 -9.071 -2.247 1.00 0.00 N ATOM 112 CA GLN A 9 -17.415 -8.849 -2.888 1.00 0.00 C ATOM 113 C GLN A 9 -17.297 -7.874 -4.063 1.00 0.00 C ATOM 114 O GLN A 9 -17.099 -8.295 -5.204 1.00 0.00 O ATOM 115 CB GLN A 9 -18.432 -8.335 -1.864 1.00 0.00 C ATOM 116 CG GLN A 9 -17.839 -7.391 -0.830 1.00 0.00 C ATOM 117 CD GLN A 9 -18.771 -6.245 -0.496 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.095 -5.424 -1.354 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.215 -6.187 0.752 1.00 0.00 N ATOM 0 H GLN A 9 -15.660 -8.221 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.762 -9.803 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.237 -7.822 -2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.879 -9.187 -1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.611 -7.948 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.896 -6.992 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.921 -6.889 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.851 -5.441 1.033 1.00 0.00 H new ATOM 126 N MET A 10 -17.423 -6.573 -3.786 1.00 0.00 N ATOM 127 CA MET A 10 -17.332 -5.549 -4.827 1.00 0.00 C ATOM 128 C MET A 10 -16.151 -5.814 -5.753 1.00 0.00 C ATOM 129 O MET A 10 -14.997 -5.613 -5.378 1.00 0.00 O ATOM 130 CB MET A 10 -17.205 -4.161 -4.205 1.00 0.00 C ATOM 131 CG MET A 10 -16.171 -4.079 -3.093 1.00 0.00 C ATOM 132 SD MET A 10 -16.431 -2.676 -1.991 1.00 0.00 S ATOM 133 CE MET A 10 -14.738 -2.293 -1.553 1.00 0.00 C ATOM 0 H MET A 10 -17.588 -6.205 -2.849 1.00 0.00 H new ATOM 0 HA MET A 10 -18.248 -5.590 -5.416 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.943 -3.446 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.175 -3.860 -3.809 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.197 -5.000 -2.511 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.177 -4.008 -3.534 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.715 -1.818 -0.572 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.153 -3.212 -1.525 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.315 -1.616 -2.295 1.00 0.00 H new ATOM 143 N ASP A 11 -16.449 -6.278 -6.960 1.00 0.00 N ATOM 144 CA ASP A 11 -15.415 -6.589 -7.938 1.00 0.00 C ATOM 145 C ASP A 11 -14.484 -5.401 -8.173 1.00 0.00 C ATOM 146 O ASP A 11 -14.683 -4.321 -7.617 1.00 0.00 O ATOM 147 CB ASP A 11 -16.048 -7.025 -9.259 1.00 0.00 C ATOM 148 CG ASP A 11 -17.142 -6.080 -9.716 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.835 -4.897 -9.976 1.00 0.00 O ATOM 150 OD2 ASP A 11 -18.306 -6.522 -9.813 1.00 0.00 O ATOM 0 H ASP A 11 -17.401 -6.447 -7.285 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.818 -7.408 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.277 -7.082 -10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.461 -8.028 -9.147 1.00 0.00 H new ATOM 155 N ILE A 12 -13.466 -5.615 -9.005 1.00 0.00 N ATOM 156 CA ILE A 12 -12.501 -4.565 -9.323 1.00 0.00 C ATOM 157 C ILE A 12 -12.897 -3.843 -10.603 1.00 0.00 C ATOM 158 O ILE A 12 -13.349 -4.462 -11.566 1.00 0.00 O ATOM 159 CB ILE A 12 -11.057 -5.108 -9.495 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.947 -6.569 -9.043 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.062 -4.247 -8.724 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.361 -6.793 -7.605 1.00 0.00 C ATOM 0 H ILE A 12 -13.289 -6.505 -9.470 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.512 -3.879 -8.476 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.817 -5.063 -10.557 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.567 -7.188 -9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.918 -6.904 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.056 -4.645 -8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.100 -3.224 -9.098 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.318 -4.256 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.257 -7.849 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.725 -6.201 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.400 -6.490 -7.474 1.00 0.00 H new ATOM 166 N THR A 13 -12.720 -2.531 -10.606 1.00 0.00 N ATOM 167 CA THR A 13 -13.051 -1.715 -11.763 1.00 0.00 C ATOM 168 C THR A 13 -12.009 -0.611 -11.940 1.00 0.00 C ATOM 169 O THR A 13 -11.135 -0.440 -11.090 1.00 0.00 O ATOM 170 CB THR A 13 -14.451 -1.118 -11.603 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.400 0.127 -10.926 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.405 -2.013 -10.837 1.00 0.00 C ATOM 0 H THR A 13 -12.347 -2.006 -9.815 1.00 0.00 H new ATOM 0 HA THR A 13 -13.045 -2.342 -12.655 1.00 0.00 H new ATOM 0 HB THR A 13 -14.823 -0.999 -12.620 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.307 0.489 -10.838 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.378 -1.527 -10.761 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.513 -2.963 -11.361 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.011 -2.193 -9.837 1.00 0.00 H new ATOM 177 N PRO A 14 -12.078 0.155 -13.045 1.00 0.00 N ATOM 178 CA PRO A 14 -11.127 1.237 -13.316 1.00 0.00 C ATOM 179 C PRO A 14 -10.772 2.043 -12.069 1.00 0.00 C ATOM 180 O PRO A 14 -9.598 2.261 -11.777 1.00 0.00 O ATOM 181 CB PRO A 14 -11.885 2.100 -14.316 1.00 0.00 C ATOM 182 CG PRO A 14 -12.710 1.129 -15.089 1.00 0.00 C ATOM 183 CD PRO A 14 -13.081 0.029 -14.125 1.00 0.00 C ATOM 0 HA PRO A 14 -10.169 0.863 -13.678 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.508 2.839 -13.812 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -11.203 2.648 -14.966 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.601 1.610 -15.492 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.151 0.732 -15.936 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.095 0.154 -13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -13.037 -0.951 -14.600 1.00 0.00 H new ATOM 191 N ALA A 15 -11.792 2.477 -11.332 1.00 0.00 N ATOM 192 CA ALA A 15 -11.576 3.251 -10.114 1.00 0.00 C ATOM 193 C ALA A 15 -10.619 2.525 -9.174 1.00 0.00 C ATOM 194 O ALA A 15 -9.450 2.888 -9.067 1.00 0.00 O ATOM 195 CB ALA A 15 -12.902 3.529 -9.420 1.00 0.00 C ATOM 0 H ALA A 15 -12.772 2.306 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.123 4.204 -10.389 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.724 4.107 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.551 4.094 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.382 2.585 -9.160 1.00 0.00 H new ATOM 201 N ILE A 16 -11.120 1.487 -8.507 1.00 0.00 N ATOM 202 CA ILE A 16 -10.303 0.698 -7.587 1.00 0.00 C ATOM 203 C ILE A 16 -8.968 0.331 -8.235 1.00 0.00 C ATOM 204 O ILE A 16 -7.910 0.760 -7.779 1.00 0.00 O ATOM 205 CB ILE A 16 -11.045 -0.591 -7.156 1.00 0.00 C ATOM 206 CG1 ILE A 16 -12.050 -0.287 -6.050 1.00 0.00 C ATOM 207 CG2 ILE A 16 -10.070 -1.657 -6.685 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.407 0.144 -6.566 1.00 0.00 C ATOM 0 H ILE A 16 -12.087 1.173 -8.586 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.115 1.306 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.577 -0.971 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.172 -1.173 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.647 0.499 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.622 -2.549 -6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.384 -1.906 -7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.504 -1.281 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.070 0.343 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.298 1.049 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.831 -0.649 -7.182 1.00 0.00 H new ATOM 212 N ARG A 17 -9.029 -0.460 -9.308 1.00 0.00 N ATOM 213 CA ARG A 17 -7.825 -0.886 -10.024 1.00 0.00 C ATOM 214 C ARG A 17 -6.839 0.274 -10.172 1.00 0.00 C ATOM 215 O ARG A 17 -5.714 0.216 -9.675 1.00 0.00 O ATOM 216 CB ARG A 17 -8.199 -1.426 -11.406 1.00 0.00 C ATOM 217 CG ARG A 17 -7.070 -2.179 -12.093 1.00 0.00 C ATOM 218 CD ARG A 17 -7.604 -3.244 -13.040 1.00 0.00 C ATOM 219 NE ARG A 17 -6.998 -4.551 -12.791 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.362 -5.360 -11.800 1.00 0.00 C ATOM 221 NH1 ARG A 17 -8.328 -5.003 -10.963 1.00 0.00 N ATOM 222 NH2 ARG A 17 -6.759 -6.531 -11.645 1.00 0.00 N ATOM 0 H ARG A 17 -9.900 -0.819 -9.700 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.346 -1.676 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.059 -2.089 -11.307 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.508 -0.595 -12.040 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.448 -1.477 -12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.433 -2.645 -11.342 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.686 -3.319 -12.929 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.409 -2.944 -14.070 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.252 -4.861 -13.414 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.796 -4.104 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.603 -5.628 -10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.016 -6.811 -12.286 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.038 -7.152 -10.885 1.00 0.00 H new ATOM 236 N GLU A 18 -7.280 1.331 -10.850 1.00 0.00 N ATOM 237 CA GLU A 18 -6.446 2.511 -11.059 1.00 0.00 C ATOM 238 C GLU A 18 -6.012 3.109 -9.725 1.00 0.00 C ATOM 239 O GLU A 18 -4.875 3.556 -9.575 1.00 0.00 O ATOM 240 CB GLU A 18 -7.201 3.560 -11.880 1.00 0.00 C ATOM 241 CG GLU A 18 -6.387 4.809 -12.168 1.00 0.00 C ATOM 242 CD GLU A 18 -6.985 5.653 -13.276 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.931 6.418 -12.994 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.509 5.548 -14.426 1.00 0.00 O ATOM 0 H GLU A 18 -8.210 1.394 -11.264 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.556 2.204 -11.609 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.513 3.114 -12.824 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.108 3.843 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.314 5.408 -11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.372 4.521 -12.443 1.00 0.00 H new ATOM 251 N HIS A 19 -6.919 3.097 -8.754 1.00 0.00 N ATOM 252 CA HIS A 19 -6.628 3.618 -7.428 1.00 0.00 C ATOM 253 C HIS A 19 -5.497 2.812 -6.806 1.00 0.00 C ATOM 254 O HIS A 19 -4.385 3.308 -6.626 1.00 0.00 O ATOM 255 CB HIS A 19 -7.882 3.526 -6.562 1.00 0.00 C ATOM 256 CG HIS A 19 -7.912 4.467 -5.415 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.490 4.325 -4.216 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.329 5.716 -5.423 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.260 5.479 -3.508 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.555 6.305 -4.262 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.864 2.730 -8.864 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.322 4.662 -7.499 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.755 3.710 -7.189 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.971 2.508 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.776 6.144 -6.246 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.599 5.679 -2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.240 7.237 -3.994 1.00 0.00 H new ATOM 269 N LEU A 20 -5.793 1.554 -6.512 1.00 0.00 N ATOM 270 CA LEU A 20 -4.818 0.632 -5.940 1.00 0.00 C ATOM 271 C LEU A 20 -3.497 0.702 -6.698 1.00 0.00 C ATOM 272 O LEU A 20 -2.424 0.757 -6.093 1.00 0.00 O ATOM 273 CB LEU A 20 -5.382 -0.781 -5.982 1.00 0.00 C ATOM 274 CG LEU A 20 -6.829 -0.886 -5.487 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.347 -2.303 -5.585 1.00 0.00 C ATOM 276 CD2 LEU A 20 -6.941 -0.369 -4.065 1.00 0.00 C ATOM 0 H LEU A 20 -6.714 1.143 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.623 0.915 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.330 -1.152 -7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.752 -1.431 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.449 -0.265 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.375 -2.340 -5.226 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.313 -2.632 -6.624 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.726 -2.960 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.975 -0.450 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.299 -0.960 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.630 0.675 -4.032 1.00 0.00 H new ATOM 282 N GLU A 21 -3.582 0.719 -8.024 1.00 0.00 N ATOM 283 CA GLU A 21 -2.391 0.802 -8.858 1.00 0.00 C ATOM 284 C GLU A 21 -1.692 2.136 -8.637 1.00 0.00 C ATOM 285 O GLU A 21 -0.501 2.181 -8.336 1.00 0.00 O ATOM 286 CB GLU A 21 -2.759 0.622 -10.330 1.00 0.00 C ATOM 287 CG GLU A 21 -3.131 -0.808 -10.683 1.00 0.00 C ATOM 288 CD GLU A 21 -3.435 -0.987 -12.157 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.156 -0.138 -12.722 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.952 -1.977 -12.747 1.00 0.00 O ATOM 0 H GLU A 21 -4.460 0.677 -8.542 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.707 0.001 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.595 1.278 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.918 0.935 -10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.313 -1.472 -10.402 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.000 -1.108 -10.098 1.00 0.00 H new ATOM 297 N GLU A 22 -2.447 3.223 -8.767 1.00 0.00 N ATOM 298 CA GLU A 22 -1.897 4.559 -8.555 1.00 0.00 C ATOM 299 C GLU A 22 -1.266 4.652 -7.168 1.00 0.00 C ATOM 300 O GLU A 22 -0.163 5.176 -7.006 1.00 0.00 O ATOM 301 CB GLU A 22 -2.990 5.622 -8.707 1.00 0.00 C ATOM 302 CG GLU A 22 -2.491 7.042 -8.500 1.00 0.00 C ATOM 303 CD GLU A 22 -3.563 8.081 -8.768 1.00 0.00 C ATOM 304 OE1 GLU A 22 -3.693 8.514 -9.932 1.00 0.00 O ATOM 305 OE2 GLU A 22 -4.274 8.461 -7.814 1.00 0.00 O ATOM 0 H GLU A 22 -3.436 3.206 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.130 4.741 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.428 5.541 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.786 5.418 -7.991 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.132 7.151 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.641 7.224 -9.158 1.00 0.00 H new ATOM 312 N ARG A 23 -1.970 4.114 -6.174 1.00 0.00 N ATOM 313 CA ARG A 23 -1.476 4.111 -4.798 1.00 0.00 C ATOM 314 C ARG A 23 -0.175 3.325 -4.718 1.00 0.00 C ATOM 315 O ARG A 23 0.839 3.831 -4.237 1.00 0.00 O ATOM 316 CB ARG A 23 -2.509 3.508 -3.841 1.00 0.00 C ATOM 317 CG ARG A 23 -2.565 4.216 -2.500 1.00 0.00 C ATOM 318 CD ARG A 23 -1.261 4.071 -1.731 1.00 0.00 C ATOM 319 NE ARG A 23 -1.387 3.149 -0.605 1.00 0.00 N ATOM 320 CZ ARG A 23 -1.158 1.838 -0.685 1.00 0.00 C ATOM 321 NH1 ARG A 23 -0.794 1.286 -1.835 1.00 0.00 N ATOM 322 NH2 ARG A 23 -1.295 1.078 0.393 1.00 0.00 N ATOM 0 H ARG A 23 -2.883 3.675 -6.295 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.297 5.143 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.494 3.548 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.275 2.456 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.780 5.273 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.384 3.808 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.481 3.716 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.946 5.048 -1.365 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.667 3.532 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.687 1.865 -2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.621 0.282 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.575 1.497 1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.121 0.075 0.335 1.00 0.00 H new ATOM 336 N LEU A 24 -0.208 2.086 -5.201 1.00 0.00 N ATOM 337 CA LEU A 24 0.975 1.237 -5.192 1.00 0.00 C ATOM 338 C LEU A 24 2.113 1.915 -5.945 1.00 0.00 C ATOM 339 O LEU A 24 3.228 2.039 -5.433 1.00 0.00 O ATOM 340 CB LEU A 24 0.662 -0.123 -5.817 1.00 0.00 C ATOM 341 CG LEU A 24 1.202 -1.327 -5.038 1.00 0.00 C ATOM 342 CD1 LEU A 24 0.063 -2.126 -4.418 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.054 -2.213 -5.939 1.00 0.00 C ATOM 0 H LEU A 24 -1.039 1.651 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 24 1.282 1.079 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.419 -0.224 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.073 -0.147 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 24 1.833 -0.954 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.471 -2.976 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.498 -1.489 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.600 -2.486 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.428 -3.062 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.449 -2.574 -6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.895 -1.637 -6.325 1.00 0.00 H new ATOM 349 N ALA A 25 1.818 2.374 -7.160 1.00 0.00 N ATOM 350 CA ALA A 25 2.809 3.062 -7.974 1.00 0.00 C ATOM 351 C ALA A 25 3.355 4.265 -7.219 1.00 0.00 C ATOM 352 O ALA A 25 4.530 4.611 -7.340 1.00 0.00 O ATOM 353 CB ALA A 25 2.201 3.493 -9.301 1.00 0.00 C ATOM 0 H ALA A 25 0.902 2.281 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 25 3.631 2.377 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.956 4.006 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.847 2.615 -9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.365 4.167 -9.116 1.00 0.00 H new ATOM 359 N LYS A 26 2.491 4.887 -6.422 1.00 0.00 N ATOM 360 CA LYS A 26 2.881 6.037 -5.621 1.00 0.00 C ATOM 361 C LYS A 26 3.739 5.583 -4.447 1.00 0.00 C ATOM 362 O LYS A 26 4.698 6.254 -4.067 1.00 0.00 O ATOM 363 CB LYS A 26 1.642 6.782 -5.115 1.00 0.00 C ATOM 364 CG LYS A 26 1.926 8.205 -4.658 1.00 0.00 C ATOM 365 CD LYS A 26 2.387 8.244 -3.209 1.00 0.00 C ATOM 366 CE LYS A 26 2.473 9.671 -2.692 1.00 0.00 C ATOM 367 NZ LYS A 26 2.087 9.766 -1.257 1.00 0.00 N ATOM 0 H LYS A 26 1.515 4.611 -6.315 1.00 0.00 H new ATOM 0 HA LYS A 26 3.462 6.718 -6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.895 6.807 -5.909 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.207 6.224 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.691 8.647 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.027 8.811 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.695 7.672 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.362 7.765 -3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.490 10.043 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.822 10.312 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.159 10.755 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.108 9.435 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.724 9.174 -0.686 1.00 0.00 H new ATOM 381 N LEU A 27 3.393 4.426 -3.887 1.00 0.00 N ATOM 382 CA LEU A 27 4.139 3.868 -2.765 1.00 0.00 C ATOM 383 C LEU A 27 5.446 3.239 -3.249 1.00 0.00 C ATOM 384 O LEU A 27 6.303 2.877 -2.446 1.00 0.00 O ATOM 385 CB LEU A 27 3.296 2.831 -2.011 1.00 0.00 C ATOM 386 CG LEU A 27 2.680 3.328 -0.699 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.059 2.171 0.070 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.725 4.035 0.157 1.00 0.00 C ATOM 0 H LEU A 27 2.602 3.859 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 27 4.377 4.681 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.494 2.491 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.921 1.964 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 27 1.896 4.045 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.626 2.542 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.279 1.709 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.827 1.432 0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.264 4.379 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.534 3.342 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.125 4.890 -0.389 1.00 0.00 H new ATOM 394 N GLY A 28 5.596 3.119 -4.567 1.00 0.00 N ATOM 395 CA GLY A 28 6.809 2.547 -5.119 1.00 0.00 C ATOM 396 C GLY A 28 8.014 3.436 -4.881 1.00 0.00 C ATOM 397 O GLY A 28 9.138 2.952 -4.751 1.00 0.00 O ATOM 0 H GLY A 28 4.902 3.407 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.985 1.569 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.681 2.389 -6.190 1.00 0.00 H new ATOM 401 N LYS A 29 7.774 4.745 -4.818 1.00 0.00 N ATOM 402 CA LYS A 29 8.847 5.710 -4.587 1.00 0.00 C ATOM 403 C LYS A 29 9.310 5.691 -3.131 1.00 0.00 C ATOM 404 O LYS A 29 10.310 6.316 -2.781 1.00 0.00 O ATOM 405 CB LYS A 29 8.392 7.123 -4.972 1.00 0.00 C ATOM 406 CG LYS A 29 7.373 7.739 -4.019 1.00 0.00 C ATOM 407 CD LYS A 29 7.763 9.154 -3.615 1.00 0.00 C ATOM 408 CE LYS A 29 7.847 9.300 -2.103 1.00 0.00 C ATOM 409 NZ LYS A 29 9.099 8.709 -1.556 1.00 0.00 N ATOM 0 H LYS A 29 6.848 5.160 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 29 9.689 5.422 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.266 7.773 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.963 7.093 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.392 7.754 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.286 7.117 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.725 9.408 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.033 9.860 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.798 10.356 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.986 8.815 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.879 8.158 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.529 8.086 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.765 9.470 -1.315 1.00 0.00 H new ATOM 423 N TRP A 30 8.580 4.968 -2.289 1.00 0.00 N ATOM 424 CA TRP A 30 8.915 4.862 -0.879 1.00 0.00 C ATOM 425 C TRP A 30 10.053 3.867 -0.680 1.00 0.00 C ATOM 426 O TRP A 30 9.820 2.662 -0.682 1.00 0.00 O ATOM 427 CB TRP A 30 7.688 4.421 -0.083 1.00 0.00 C ATOM 428 CG TRP A 30 6.825 5.558 0.372 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.871 6.214 -0.353 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.840 6.173 1.661 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.289 7.196 0.413 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.870 7.191 1.656 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.583 5.958 2.819 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.624 7.989 2.771 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.342 6.751 3.923 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.370 7.756 3.892 1.00 0.00 C ATOM 0 H TRP A 30 7.748 4.445 -2.563 1.00 0.00 H new ATOM 0 HA TRP A 30 9.238 5.839 -0.520 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.091 3.746 -0.697 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.016 3.854 0.788 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.612 5.993 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.547 7.825 0.107 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.335 5.184 2.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.871 8.763 2.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.914 6.593 4.826 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.206 8.360 4.772 1.00 0.00 H new ATOM 447 N GLN A 31 11.281 4.386 -0.531 1.00 0.00 N ATOM 448 CA GLN A 31 12.485 3.558 -0.351 1.00 0.00 C ATOM 449 C GLN A 31 12.183 2.212 0.308 1.00 0.00 C ATOM 450 O GLN A 31 12.460 2.003 1.489 1.00 0.00 O ATOM 451 CB GLN A 31 13.542 4.312 0.463 1.00 0.00 C ATOM 452 CG GLN A 31 13.036 4.850 1.792 1.00 0.00 C ATOM 453 CD GLN A 31 12.166 6.081 1.630 1.00 0.00 C ATOM 454 OE1 GLN A 31 11.056 6.144 2.154 1.00 0.00 O ATOM 455 NE2 GLN A 31 12.670 7.069 0.899 1.00 0.00 N ATOM 0 H GLN A 31 11.468 5.389 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 31 12.872 3.351 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.384 3.646 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.919 5.143 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.467 4.072 2.302 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.887 5.092 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.596 6.974 0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.131 7.923 0.754 1.00 0.00 H new ATOM 462 N THR A 32 11.610 1.308 -0.477 1.00 0.00 N ATOM 463 CA THR A 32 11.253 -0.017 -0.014 1.00 0.00 C ATOM 464 C THR A 32 11.025 -0.928 -1.222 1.00 0.00 C ATOM 465 O THR A 32 10.898 -0.451 -2.350 1.00 0.00 O ATOM 466 CB THR A 32 9.995 0.070 0.864 1.00 0.00 C ATOM 467 OG1 THR A 32 10.341 0.420 2.192 1.00 0.00 O ATOM 468 CG2 THR A 32 9.188 -1.208 0.929 1.00 0.00 C ATOM 0 H THR A 32 11.381 1.479 -1.456 1.00 0.00 H new ATOM 0 HA THR A 32 12.059 -0.437 0.587 1.00 0.00 H new ATOM 0 HB THR A 32 9.378 0.832 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.166 0.949 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.319 -1.057 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.857 -1.481 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.806 -2.008 1.338 1.00 0.00 H new ATOM 473 N GLN A 33 10.954 -2.228 -0.981 1.00 0.00 N ATOM 474 CA GLN A 33 10.720 -3.189 -2.046 1.00 0.00 C ATOM 475 C GLN A 33 9.494 -4.000 -1.709 1.00 0.00 C ATOM 476 O GLN A 33 9.568 -5.030 -1.038 1.00 0.00 O ATOM 477 CB GLN A 33 11.919 -4.110 -2.250 1.00 0.00 C ATOM 478 CG GLN A 33 12.619 -4.509 -0.964 1.00 0.00 C ATOM 479 CD GLN A 33 13.647 -3.478 -0.525 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.505 -2.288 -0.808 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.691 -3.924 0.167 1.00 0.00 N ATOM 0 H GLN A 33 11.055 -2.642 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 33 10.568 -2.645 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.588 -5.011 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.637 -3.615 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.878 -4.640 -0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.110 -5.472 -1.103 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.773 -4.918 0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.409 -3.272 0.483 1.00 0.00 H new ATOM 488 N LEU A 34 8.361 -3.501 -2.151 1.00 0.00 N ATOM 489 CA LEU A 34 7.092 -4.134 -1.879 1.00 0.00 C ATOM 490 C LEU A 34 7.080 -5.593 -2.314 1.00 0.00 C ATOM 491 O LEU A 34 6.830 -5.908 -3.476 1.00 0.00 O ATOM 492 CB LEU A 34 5.973 -3.361 -2.569 1.00 0.00 C ATOM 493 CG LEU A 34 6.054 -1.844 -2.406 1.00 0.00 C ATOM 494 CD1 LEU A 34 4.804 -1.186 -2.961 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.259 -1.473 -0.942 1.00 0.00 C ATOM 0 H LEU A 34 8.294 -2.648 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 34 6.932 -4.119 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.986 -3.600 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.016 -3.705 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 34 6.912 -1.479 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.876 -0.105 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.707 -1.425 -4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.930 -1.555 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.314 -0.389 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.423 -1.848 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.187 -1.917 -0.581 1.00 0.00 H new ATOM 501 N ILE A 35 7.341 -6.478 -1.363 1.00 0.00 N ATOM 502 CA ILE A 35 7.350 -7.904 -1.633 1.00 0.00 C ATOM 503 C ILE A 35 5.937 -8.402 -1.911 1.00 0.00 C ATOM 504 O ILE A 35 5.233 -8.843 -1.003 1.00 0.00 O ATOM 505 CB ILE A 35 7.949 -8.688 -0.454 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.428 -8.319 -0.285 1.00 0.00 C ATOM 507 CG2 ILE A 35 7.782 -10.190 -0.671 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.184 -9.281 0.594 1.00 0.00 C ATOM 0 H ILE A 35 7.550 -6.230 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 35 7.971 -8.070 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 35 7.417 -8.421 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.901 -8.285 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.500 -7.317 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.212 -10.730 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.722 -10.430 -0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.293 -10.484 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.224 -8.963 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.734 -9.297 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.142 -10.280 0.160 1.00 0.00 H new ATOM 512 N SER A 36 5.529 -8.329 -3.171 1.00 0.00 N ATOM 513 CA SER A 36 4.199 -8.774 -3.565 1.00 0.00 C ATOM 514 C SER A 36 3.122 -8.040 -2.772 1.00 0.00 C ATOM 515 O SER A 36 2.752 -8.445 -1.670 1.00 0.00 O ATOM 516 CB SER A 36 4.078 -10.284 -3.364 1.00 0.00 C ATOM 517 OG SER A 36 3.602 -10.923 -4.536 1.00 0.00 O ATOM 0 H SER A 36 6.098 -7.967 -3.936 1.00 0.00 H new ATOM 0 HA SER A 36 4.053 -8.543 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.050 -10.696 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.401 -10.490 -2.535 1.00 0.00 H new ATOM 0 HG SER A 36 3.536 -11.888 -4.379 1.00 0.00 H new ATOM 523 N PRO A 37 2.625 -6.933 -3.335 1.00 0.00 N ATOM 524 CA PRO A 37 1.602 -6.096 -2.712 1.00 0.00 C ATOM 525 C PRO A 37 0.178 -6.489 -3.102 1.00 0.00 C ATOM 526 O PRO A 37 -0.151 -6.589 -4.289 1.00 0.00 O ATOM 527 CB PRO A 37 1.942 -4.731 -3.291 1.00 0.00 C ATOM 528 CG PRO A 37 2.382 -5.039 -4.684 1.00 0.00 C ATOM 529 CD PRO A 37 3.043 -6.386 -4.636 1.00 0.00 C ATOM 0 HA PRO A 37 1.611 -6.165 -1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.079 -4.065 -3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.730 -4.239 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.532 -5.049 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.074 -4.280 -5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.718 -7.021 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.128 -6.303 -4.706 1.00 0.00 H new ATOM 537 N HIS A 38 -0.669 -6.688 -2.097 1.00 0.00 N ATOM 538 CA HIS A 38 -2.062 -7.045 -2.333 1.00 0.00 C ATOM 539 C HIS A 38 -2.991 -5.982 -1.783 1.00 0.00 C ATOM 540 O HIS A 38 -2.557 -5.039 -1.120 1.00 0.00 O ATOM 541 CB HIS A 38 -2.406 -8.384 -1.684 1.00 0.00 C ATOM 542 CG HIS A 38 -2.669 -9.485 -2.662 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.618 -9.612 -3.618 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.917 -10.637 -2.712 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.426 -10.830 -4.221 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.393 -11.429 -3.656 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.415 -6.608 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.195 -7.124 -3.412 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.586 -8.681 -1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.285 -8.255 -1.053 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.071 -10.859 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.022 -11.233 -5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.025 -12.347 -3.906 1.00 0.00 H new ATOM 555 N PHE A 39 -4.274 -6.152 -2.050 1.00 0.00 N ATOM 556 CA PHE A 39 -5.274 -5.218 -1.567 1.00 0.00 C ATOM 557 C PHE A 39 -6.620 -5.904 -1.352 1.00 0.00 C ATOM 558 O PHE A 39 -7.396 -6.079 -2.288 1.00 0.00 O ATOM 559 CB PHE A 39 -5.414 -4.046 -2.529 1.00 0.00 C ATOM 560 CG PHE A 39 -4.865 -2.758 -1.982 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.502 -2.505 -1.992 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.717 -1.803 -1.453 1.00 0.00 C ATOM 563 CE1 PHE A 39 -3.002 -1.320 -1.483 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.224 -0.619 -0.943 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.866 -0.377 -0.958 1.00 0.00 C ATOM 0 H PHE A 39 -4.647 -6.927 -2.598 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.940 -4.839 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.900 -4.286 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.468 -3.909 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.824 -3.240 -2.401 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.781 -1.987 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.939 -1.132 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.900 0.117 -0.533 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.478 0.549 -0.560 1.00 0.00 H new ATOM 575 N VAL A 40 -6.893 -6.279 -0.107 1.00 0.00 N ATOM 576 CA VAL A 40 -8.142 -6.929 0.238 1.00 0.00 C ATOM 577 C VAL A 40 -9.190 -5.885 0.612 1.00 0.00 C ATOM 578 O VAL A 40 -9.304 -5.488 1.771 1.00 0.00 O ATOM 579 CB VAL A 40 -7.942 -7.904 1.410 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.230 -8.634 1.722 1.00 0.00 C ATOM 581 CG2 VAL A 40 -6.823 -8.889 1.098 1.00 0.00 C ATOM 0 H VAL A 40 -6.259 -6.141 0.680 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.486 -7.491 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.656 -7.330 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.068 -9.319 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.001 -7.912 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.550 -9.197 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.695 -9.572 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.078 -9.458 0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.895 -8.343 0.929 1.00 0.00 H new ATOM 585 N LEU A 41 -9.939 -5.435 -0.387 1.00 0.00 N ATOM 586 CA LEU A 41 -10.967 -4.420 -0.182 1.00 0.00 C ATOM 587 C LEU A 41 -12.360 -5.031 -0.120 1.00 0.00 C ATOM 588 O LEU A 41 -12.656 -6.006 -0.809 1.00 0.00 O ATOM 589 CB LEU A 41 -10.919 -3.378 -1.300 1.00 0.00 C ATOM 590 CG LEU A 41 -11.346 -3.876 -2.681 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.705 -2.704 -3.580 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.242 -4.704 -3.311 1.00 0.00 C ATOM 0 H LEU A 41 -9.854 -5.758 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.761 -3.941 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.559 -2.541 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.902 -2.992 -1.370 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.228 -4.506 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.007 -3.076 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.527 -2.143 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.839 -2.052 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.563 -5.051 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.345 -4.094 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.024 -5.563 -2.676 1.00 0.00 H new ATOM 598 N ASN A 42 -13.216 -4.435 0.704 1.00 0.00 N ATOM 599 CA ASN A 42 -14.585 -4.904 0.851 1.00 0.00 C ATOM 600 C ASN A 42 -15.526 -3.765 1.224 1.00 0.00 C ATOM 601 O ASN A 42 -15.095 -2.666 1.575 1.00 0.00 O ATOM 602 CB ASN A 42 -14.671 -6.006 1.906 1.00 0.00 C ATOM 603 CG ASN A 42 -13.587 -7.049 1.736 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.536 -7.750 0.727 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.711 -7.155 2.725 1.00 0.00 N ATOM 0 H ASN A 42 -12.983 -3.626 1.280 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.894 -5.307 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.593 -5.563 2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.647 -6.487 1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.957 -7.839 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.791 -6.553 3.544 1.00 0.00 H new ATOM 610 N LYS A 43 -16.816 -4.049 1.154 1.00 0.00 N ATOM 611 CA LYS A 43 -17.845 -3.072 1.489 1.00 0.00 C ATOM 612 C LYS A 43 -18.773 -3.644 2.549 1.00 0.00 C ATOM 613 O LYS A 43 -18.733 -4.836 2.846 1.00 0.00 O ATOM 614 CB LYS A 43 -18.666 -2.715 0.239 1.00 0.00 C ATOM 615 CG LYS A 43 -20.168 -2.571 0.499 1.00 0.00 C ATOM 616 CD LYS A 43 -20.939 -2.318 -0.789 1.00 0.00 C ATOM 617 CE LYS A 43 -21.705 -1.006 -0.731 1.00 0.00 C ATOM 618 NZ LYS A 43 -23.062 -1.179 -0.144 1.00 0.00 N ATOM 0 H LYS A 43 -17.180 -4.957 0.865 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.361 -2.173 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.289 -1.780 -0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.511 -3.485 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.543 -3.476 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.340 -1.749 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.247 -2.300 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.634 -3.139 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.143 -0.284 -0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.794 -0.593 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.551 -0.261 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.608 -1.849 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.977 -1.548 0.824 1.00 0.00 H new ATOM 632 N VAL A 44 -19.628 -2.791 3.090 1.00 0.00 N ATOM 633 CA VAL A 44 -20.590 -3.213 4.082 1.00 0.00 C ATOM 634 C VAL A 44 -21.641 -2.131 4.331 1.00 0.00 C ATOM 635 O VAL A 44 -21.419 -0.955 4.043 1.00 0.00 O ATOM 636 CB VAL A 44 -19.919 -3.583 5.408 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.494 -5.044 5.409 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.733 -2.677 5.712 1.00 0.00 C ATOM 0 H VAL A 44 -19.671 -1.800 2.854 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.078 -4.101 3.681 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.655 -3.436 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.020 -5.284 6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.370 -5.678 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.788 -5.218 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.284 -2.971 6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -17.993 -2.767 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.072 -1.643 5.777 1.00 0.00 H new ATOM 642 N PRO A 45 -22.811 -2.515 4.866 1.00 0.00 N ATOM 643 CA PRO A 45 -23.898 -1.571 5.145 1.00 0.00 C ATOM 644 C PRO A 45 -23.436 -0.379 5.976 1.00 0.00 C ATOM 645 O PRO A 45 -23.858 0.755 5.744 1.00 0.00 O ATOM 646 CB PRO A 45 -24.907 -2.411 5.932 1.00 0.00 C ATOM 647 CG PRO A 45 -24.646 -3.814 5.506 1.00 0.00 C ATOM 648 CD PRO A 45 -23.169 -3.897 5.237 1.00 0.00 C ATOM 0 HA PRO A 45 -24.303 -1.139 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.769 -2.291 7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -25.931 -2.113 5.707 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.941 -4.519 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.220 -4.064 4.614 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.619 -4.232 6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.946 -4.599 4.434 1.00 0.00 H new ATOM 656 N ASN A 46 -22.572 -0.645 6.947 1.00 0.00 N ATOM 657 CA ASN A 46 -22.054 0.403 7.822 1.00 0.00 C ATOM 658 C ASN A 46 -20.914 1.184 7.163 1.00 0.00 C ATOM 659 O ASN A 46 -20.327 2.071 7.784 1.00 0.00 O ATOM 660 CB ASN A 46 -21.570 -0.205 9.140 1.00 0.00 C ATOM 661 CG ASN A 46 -21.916 0.659 10.337 1.00 0.00 C ATOM 662 OD1 ASN A 46 -22.520 1.721 10.196 1.00 0.00 O ATOM 663 ND2 ASN A 46 -21.530 0.206 11.524 1.00 0.00 N ATOM 0 H ASN A 46 -22.214 -1.578 7.150 1.00 0.00 H new ATOM 0 HA ASN A 46 -22.869 1.101 8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.015 -1.192 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.490 -0.346 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -21.732 0.745 12.366 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -21.031 -0.681 11.594 1.00 0.00 H new ATOM 668 N GLY A 47 -20.595 0.853 5.913 1.00 0.00 N ATOM 669 CA GLY A 47 -19.530 1.532 5.221 1.00 0.00 C ATOM 670 C GLY A 47 -18.707 0.583 4.381 1.00 0.00 C ATOM 671 O GLY A 47 -19.120 -0.536 4.099 1.00 0.00 O ATOM 0 H GLY A 47 -21.061 0.124 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.950 2.310 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.884 2.028 5.946 1.00 0.00 H new ATOM 675 N PHE A 48 -17.539 1.038 3.993 1.00 0.00 N ATOM 676 CA PHE A 48 -16.625 0.244 3.189 1.00 0.00 C ATOM 677 C PHE A 48 -15.439 -0.202 4.027 1.00 0.00 C ATOM 678 O PHE A 48 -14.786 0.619 4.673 1.00 0.00 O ATOM 679 CB PHE A 48 -16.098 1.063 2.011 1.00 0.00 C ATOM 680 CG PHE A 48 -17.022 1.179 0.839 1.00 0.00 C ATOM 681 CD1 PHE A 48 -16.974 0.251 -0.185 1.00 0.00 C ATOM 682 CD2 PHE A 48 -17.915 2.233 0.744 1.00 0.00 C ATOM 683 CE1 PHE A 48 -17.802 0.364 -1.281 1.00 0.00 C ATOM 684 CE2 PHE A 48 -18.743 2.357 -0.355 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.686 1.418 -1.369 1.00 0.00 C ATOM 0 H PHE A 48 -17.191 1.969 4.223 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.172 -0.624 2.821 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.862 2.066 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.163 0.617 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -16.279 -0.573 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -17.965 2.965 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -17.758 -0.372 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.433 3.185 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.333 1.510 -2.229 1.00 0.00 H new ATOM 695 N SER A 49 -15.141 -1.494 3.993 1.00 0.00 N ATOM 696 CA SER A 49 -14.005 -2.021 4.727 1.00 0.00 C ATOM 697 C SER A 49 -12.903 -2.379 3.755 1.00 0.00 C ATOM 698 O SER A 49 -13.100 -3.163 2.830 1.00 0.00 O ATOM 699 CB SER A 49 -14.381 -3.243 5.554 1.00 0.00 C ATOM 700 OG SER A 49 -15.762 -3.538 5.444 1.00 0.00 O ATOM 0 H SER A 49 -15.669 -2.191 3.467 1.00 0.00 H new ATOM 0 HA SER A 49 -13.662 -1.250 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.797 -4.102 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.127 -3.069 6.600 1.00 0.00 H new ATOM 0 HG SER A 49 -15.972 -4.328 5.984 1.00 0.00 H new ATOM 706 N VAL A 50 -11.750 -1.790 3.964 1.00 0.00 N ATOM 707 CA VAL A 50 -10.607 -2.030 3.095 1.00 0.00 C ATOM 708 C VAL A 50 -9.383 -2.449 3.895 1.00 0.00 C ATOM 709 O VAL A 50 -8.964 -1.747 4.815 1.00 0.00 O ATOM 710 CB VAL A 50 -10.248 -0.784 2.259 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.661 -1.197 0.917 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.465 0.110 2.059 1.00 0.00 C ATOM 0 H VAL A 50 -11.571 -1.138 4.728 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.899 -2.837 2.423 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.498 -0.213 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.413 -0.307 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.759 -1.787 1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.390 -1.794 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.184 0.981 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.244 -0.447 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.840 0.437 3.029 1.00 0.00 H new ATOM 716 N GLU A 51 -8.807 -3.587 3.527 1.00 0.00 N ATOM 717 CA GLU A 51 -7.621 -4.099 4.195 1.00 0.00 C ATOM 718 C GLU A 51 -6.530 -4.379 3.172 1.00 0.00 C ATOM 719 O GLU A 51 -6.753 -5.071 2.179 1.00 0.00 O ATOM 720 CB GLU A 51 -7.956 -5.367 4.984 1.00 0.00 C ATOM 721 CG GLU A 51 -6.741 -6.183 5.406 1.00 0.00 C ATOM 722 CD GLU A 51 -6.785 -6.586 6.866 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.390 -7.635 7.174 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.214 -5.855 7.702 1.00 0.00 O ATOM 0 H GLU A 51 -9.146 -4.174 2.765 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.260 -3.347 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.519 -5.088 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.609 -5.996 4.378 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.678 -7.079 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.837 -5.603 5.221 1.00 0.00 H new ATOM 731 N ALA A 52 -5.357 -3.821 3.417 1.00 0.00 N ATOM 732 CA ALA A 52 -4.226 -3.991 2.513 1.00 0.00 C ATOM 733 C ALA A 52 -3.113 -4.807 3.157 1.00 0.00 C ATOM 734 O ALA A 52 -2.999 -4.865 4.382 1.00 0.00 O ATOM 735 CB ALA A 52 -3.697 -2.635 2.072 1.00 0.00 C ATOM 0 H ALA A 52 -5.160 -3.245 4.235 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.578 -4.539 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.853 -2.776 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.486 -2.087 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.373 -2.069 2.946 1.00 0.00 H new ATOM 741 N SER A 53 -2.293 -5.431 2.317 1.00 0.00 N ATOM 742 CA SER A 53 -1.179 -6.245 2.787 1.00 0.00 C ATOM 743 C SER A 53 -0.030 -6.222 1.780 1.00 0.00 C ATOM 744 O SER A 53 -0.129 -6.806 0.701 1.00 0.00 O ATOM 745 CB SER A 53 -1.635 -7.685 3.024 1.00 0.00 C ATOM 746 OG SER A 53 -2.841 -7.723 3.767 1.00 0.00 O ATOM 0 H SER A 53 -2.381 -5.387 1.302 1.00 0.00 H new ATOM 0 HA SER A 53 -0.825 -5.825 3.729 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.778 -8.186 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.858 -8.232 3.558 1.00 0.00 H new ATOM 0 HG SER A 53 -3.112 -8.655 3.904 1.00 0.00 H new ATOM 752 N ILE A 54 1.056 -5.542 2.137 1.00 0.00 N ATOM 753 CA ILE A 54 2.219 -5.443 1.258 1.00 0.00 C ATOM 754 C ILE A 54 3.496 -5.874 1.975 1.00 0.00 C ATOM 755 O ILE A 54 3.957 -5.205 2.898 1.00 0.00 O ATOM 756 CB ILE A 54 2.404 -4.005 0.728 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.104 -3.493 0.103 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.542 -3.957 -0.281 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.214 -2.094 -0.471 1.00 0.00 C ATOM 0 H ILE A 54 1.156 -5.052 3.026 1.00 0.00 H new ATOM 0 HA ILE A 54 2.034 -6.113 0.419 1.00 0.00 H new ATOM 0 HB ILE A 54 2.658 -3.355 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.797 -4.178 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.318 -3.506 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.661 -2.937 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.466 -4.282 0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.315 -4.618 -1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.255 -1.799 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.490 -1.397 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.976 -2.079 -1.250 1.00 0.00 H new ATOM 763 N GLY A 55 4.068 -6.993 1.544 1.00 0.00 N ATOM 764 CA GLY A 55 5.277 -7.486 2.150 1.00 0.00 C ATOM 765 C GLY A 55 6.436 -6.540 1.988 1.00 0.00 C ATOM 766 O GLY A 55 6.536 -5.808 1.003 1.00 0.00 O ATOM 0 H GLY A 55 3.708 -7.566 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.101 -7.660 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.534 -8.448 1.707 1.00 0.00 H new ATOM 770 N THR A 56 7.316 -6.575 2.963 1.00 0.00 N ATOM 771 CA THR A 56 8.509 -5.737 2.964 1.00 0.00 C ATOM 772 C THR A 56 9.653 -6.429 3.691 1.00 0.00 C ATOM 773 O THR A 56 9.441 -7.048 4.734 1.00 0.00 O ATOM 774 CB THR A 56 8.255 -4.381 3.631 1.00 0.00 C ATOM 775 OG1 THR A 56 8.770 -4.366 4.958 1.00 0.00 O ATOM 776 CG2 THR A 56 6.795 -3.992 3.680 1.00 0.00 C ATOM 0 H THR A 56 7.232 -7.181 3.779 1.00 0.00 H new ATOM 0 HA THR A 56 8.775 -5.572 1.920 1.00 0.00 H new ATOM 0 HB THR A 56 8.772 -3.653 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.036 -4.489 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.693 -3.021 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.400 -3.934 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.238 -4.740 4.244 1.00 0.00 H new ATOM 781 N PRO A 57 10.893 -6.312 3.185 1.00 0.00 N ATOM 782 CA PRO A 57 12.046 -6.915 3.849 1.00 0.00 C ATOM 783 C PRO A 57 12.174 -6.428 5.290 1.00 0.00 C ATOM 784 O PRO A 57 12.916 -7.004 6.086 1.00 0.00 O ATOM 785 CB PRO A 57 13.246 -6.438 3.028 1.00 0.00 C ATOM 786 CG PRO A 57 12.687 -6.008 1.717 1.00 0.00 C ATOM 787 CD PRO A 57 11.275 -5.568 1.969 1.00 0.00 C ATOM 0 HA PRO A 57 11.964 -8.001 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.759 -5.614 3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.976 -7.237 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.276 -5.194 1.295 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.714 -6.827 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.212 -4.491 2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.623 -5.810 1.129 1.00 0.00 H new ATOM 795 N LEU A 58 11.451 -5.354 5.619 1.00 0.00 N ATOM 796 CA LEU A 58 11.495 -4.791 6.963 1.00 0.00 C ATOM 797 C LEU A 58 10.299 -5.261 7.788 1.00 0.00 C ATOM 798 O LEU A 58 10.331 -5.233 9.018 1.00 0.00 O ATOM 799 CB LEU A 58 11.525 -3.260 6.891 1.00 0.00 C ATOM 800 CG LEU A 58 12.918 -2.631 6.744 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.892 -3.234 7.744 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.444 -2.794 5.321 1.00 0.00 C ATOM 0 H LEU A 58 10.833 -4.862 4.974 1.00 0.00 H new ATOM 0 HA LEU A 58 12.404 -5.140 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.911 -2.941 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.060 -2.862 7.793 1.00 0.00 H new ATOM 0 HG LEU A 58 12.827 -1.565 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.872 -2.773 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.531 -3.055 8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.972 -4.307 7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.432 -2.340 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.512 -3.854 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.764 -2.304 4.624 1.00 0.00 H new ATOM 808 N GLY A 59 9.247 -5.699 7.101 1.00 0.00 N ATOM 809 CA GLY A 59 8.057 -6.177 7.778 1.00 0.00 C ATOM 810 C GLY A 59 6.831 -6.138 6.892 1.00 0.00 C ATOM 811 O GLY A 59 6.557 -5.130 6.244 1.00 0.00 O ATOM 0 H GLY A 59 9.199 -5.731 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.223 -7.199 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.879 -5.570 8.666 1.00 0.00 H new ATOM 815 N ASN A 60 6.092 -7.239 6.862 1.00 0.00 N ATOM 816 CA ASN A 60 4.888 -7.333 6.047 1.00 0.00 C ATOM 817 C ASN A 60 3.907 -6.217 6.383 1.00 0.00 C ATOM 818 O ASN A 60 3.370 -6.164 7.490 1.00 0.00 O ATOM 819 CB ASN A 60 4.212 -8.684 6.259 1.00 0.00 C ATOM 820 CG ASN A 60 5.176 -9.845 6.115 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.366 -9.652 5.866 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.666 -11.063 6.268 1.00 0.00 N ATOM 0 H ASN A 60 6.306 -8.082 7.395 1.00 0.00 H new ATOM 0 HA ASN A 60 5.184 -7.232 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.763 -8.710 7.252 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.401 -8.798 5.539 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.267 -11.882 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.674 -11.178 6.474 1.00 0.00 H new ATOM 827 N LEU A 61 3.665 -5.333 5.423 1.00 0.00 N ATOM 828 CA LEU A 61 2.732 -4.234 5.630 1.00 0.00 C ATOM 829 C LEU A 61 1.304 -4.746 5.618 1.00 0.00 C ATOM 830 O LEU A 61 0.937 -5.564 4.778 1.00 0.00 O ATOM 831 CB LEU A 61 2.874 -3.157 4.547 1.00 0.00 C ATOM 832 CG LEU A 61 4.202 -2.395 4.523 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.651 -2.159 3.088 1.00 0.00 C ATOM 834 CD2 LEU A 61 4.075 -1.068 5.260 1.00 0.00 C ATOM 0 H LEU A 61 4.099 -5.355 4.500 1.00 0.00 H new ATOM 0 HA LEU A 61 2.967 -3.793 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.731 -3.628 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.067 -2.435 4.673 1.00 0.00 H new ATOM 0 HG LEU A 61 4.953 -3.000 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.596 -1.616 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.782 -3.117 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.896 -1.574 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.030 -0.543 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.310 -0.457 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.794 -1.253 6.297 1.00 0.00 H new ATOM 840 N LEU A 62 0.500 -4.243 6.539 1.00 0.00 N ATOM 841 CA LEU A 62 -0.896 -4.626 6.624 1.00 0.00 C ATOM 842 C LEU A 62 -1.716 -3.472 7.163 1.00 0.00 C ATOM 843 O LEU A 62 -1.243 -2.686 7.983 1.00 0.00 O ATOM 844 CB LEU A 62 -1.085 -5.852 7.512 1.00 0.00 C ATOM 845 CG LEU A 62 -0.080 -6.980 7.284 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.146 -7.991 8.417 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.344 -7.654 5.945 1.00 0.00 C ATOM 0 H LEU A 62 0.794 -3.565 7.242 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.236 -4.880 5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.025 -5.539 8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.090 -6.244 7.354 1.00 0.00 H new ATOM 0 HG LEU A 62 0.924 -6.556 7.267 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.577 -8.787 8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.086 -7.496 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.148 -8.416 8.467 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.378 -8.456 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.353 -8.067 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.247 -6.922 5.144 1.00 0.00 H new ATOM 853 N ALA A 63 -2.942 -3.375 6.696 1.00 0.00 N ATOM 854 CA ALA A 63 -3.835 -2.312 7.126 1.00 0.00 C ATOM 855 C ALA A 63 -5.290 -2.700 6.917 1.00 0.00 C ATOM 856 O ALA A 63 -5.594 -3.627 6.167 1.00 0.00 O ATOM 857 CB ALA A 63 -3.518 -1.023 6.384 1.00 0.00 C ATOM 0 H ALA A 63 -3.347 -4.019 6.017 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.680 -2.151 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.195 -0.236 6.716 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.489 -0.728 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.642 -1.180 5.313 1.00 0.00 H new ATOM 863 N SER A 64 -6.180 -1.981 7.586 1.00 0.00 N ATOM 864 CA SER A 64 -7.610 -2.241 7.480 1.00 0.00 C ATOM 865 C SER A 64 -8.409 -1.066 8.030 1.00 0.00 C ATOM 866 O SER A 64 -8.127 -0.569 9.120 1.00 0.00 O ATOM 867 CB SER A 64 -7.978 -3.521 8.232 1.00 0.00 C ATOM 868 OG SER A 64 -7.124 -3.725 9.344 1.00 0.00 O ATOM 0 H SER A 64 -5.937 -1.211 8.210 1.00 0.00 H new ATOM 0 HA SER A 64 -7.856 -2.369 6.426 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.012 -3.463 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.911 -4.374 7.557 1.00 0.00 H new ATOM 0 HG SER A 64 -6.531 -4.485 9.166 1.00 0.00 H new ATOM 874 N ALA A 65 -9.403 -0.619 7.270 1.00 0.00 N ATOM 875 CA ALA A 65 -10.229 0.505 7.693 1.00 0.00 C ATOM 876 C ALA A 65 -11.659 0.381 7.174 1.00 0.00 C ATOM 877 O ALA A 65 -11.889 -0.063 6.049 1.00 0.00 O ATOM 878 CB ALA A 65 -9.612 1.815 7.226 1.00 0.00 C ATOM 0 H ALA A 65 -9.655 -1.015 6.364 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.270 0.495 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.238 2.647 7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.616 1.922 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.539 1.815 6.138 1.00 0.00 H new ATOM 884 N THR A 66 -12.613 0.790 8.006 1.00 0.00 N ATOM 885 CA THR A 66 -14.025 0.743 7.645 1.00 0.00 C ATOM 886 C THR A 66 -14.637 2.136 7.718 1.00 0.00 C ATOM 887 O THR A 66 -14.681 2.746 8.786 1.00 0.00 O ATOM 888 CB THR A 66 -14.782 -0.204 8.579 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.200 -1.495 8.566 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.246 -0.354 8.221 1.00 0.00 C ATOM 0 H THR A 66 -12.431 1.159 8.939 1.00 0.00 H new ATOM 0 HA THR A 66 -14.106 0.373 6.623 1.00 0.00 H new ATOM 0 HB THR A 66 -14.712 0.249 9.568 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.698 -2.084 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.724 -1.038 8.922 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.735 0.619 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.334 -0.751 7.210 1.00 0.00 H new ATOM 895 N SER A 67 -15.103 2.644 6.581 1.00 0.00 N ATOM 896 CA SER A 67 -15.700 3.971 6.538 1.00 0.00 C ATOM 897 C SER A 67 -16.707 4.082 5.402 1.00 0.00 C ATOM 898 O SER A 67 -16.652 3.326 4.436 1.00 0.00 O ATOM 899 CB SER A 67 -14.613 5.032 6.370 1.00 0.00 C ATOM 900 OG SER A 67 -14.471 5.810 7.547 1.00 0.00 O ATOM 0 H SER A 67 -15.078 2.159 5.684 1.00 0.00 H new ATOM 0 HA SER A 67 -16.224 4.135 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.664 4.550 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.861 5.681 5.530 1.00 0.00 H new ATOM 0 HG SER A 67 -13.768 6.480 7.414 1.00 0.00 H new ATOM 906 N ASP A 68 -17.613 5.045 5.516 1.00 0.00 N ATOM 907 CA ASP A 68 -18.623 5.263 4.491 1.00 0.00 C ATOM 908 C ASP A 68 -18.019 5.941 3.262 1.00 0.00 C ATOM 909 O ASP A 68 -18.721 6.213 2.289 1.00 0.00 O ATOM 910 CB ASP A 68 -19.766 6.114 5.045 1.00 0.00 C ATOM 911 CG ASP A 68 -20.842 5.278 5.709 1.00 0.00 C ATOM 912 OD1 ASP A 68 -20.497 4.247 6.325 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.030 5.653 5.614 1.00 0.00 O ATOM 0 H ASP A 68 -17.668 5.686 6.307 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.014 4.291 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.367 6.827 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.209 6.694 4.235 1.00 0.00 H new ATOM 918 N ASP A 69 -16.717 6.216 3.311 1.00 0.00 N ATOM 919 CA ASP A 69 -16.036 6.864 2.200 1.00 0.00 C ATOM 920 C ASP A 69 -14.999 5.937 1.571 1.00 0.00 C ATOM 921 O ASP A 69 -13.879 5.811 2.059 1.00 0.00 O ATOM 922 CB ASP A 69 -15.369 8.153 2.677 1.00 0.00 C ATOM 923 CG ASP A 69 -16.311 9.341 2.640 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.165 9.392 1.730 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.195 10.218 3.521 1.00 0.00 O ATOM 0 H ASP A 69 -16.117 6.000 4.107 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.779 7.103 1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.004 8.014 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.501 8.362 2.052 1.00 0.00 H new ATOM 930 N MET A 70 -15.400 5.290 0.484 1.00 0.00 N ATOM 931 CA MET A 70 -14.550 4.359 -0.251 1.00 0.00 C ATOM 932 C MET A 70 -13.093 4.820 -0.348 1.00 0.00 C ATOM 933 O MET A 70 -12.190 4.200 0.228 1.00 0.00 O ATOM 934 CB MET A 70 -15.127 4.171 -1.657 1.00 0.00 C ATOM 935 CG MET A 70 -15.735 2.796 -1.887 1.00 0.00 C ATOM 936 SD MET A 70 -15.031 1.953 -3.318 1.00 0.00 S ATOM 937 CE MET A 70 -13.540 1.276 -2.599 1.00 0.00 C ATOM 0 H MET A 70 -16.332 5.397 0.084 1.00 0.00 H new ATOM 0 HA MET A 70 -14.541 3.418 0.300 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.889 4.930 -1.832 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.337 4.337 -2.390 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.583 2.183 -0.999 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.812 2.898 -2.024 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.989 0.722 -3.359 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.919 2.087 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.803 0.606 -1.781 1.00 0.00 H new ATOM 947 N TYR A 71 -12.862 5.888 -1.101 1.00 0.00 N ATOM 948 CA TYR A 71 -11.512 6.396 -1.298 1.00 0.00 C ATOM 949 C TYR A 71 -10.901 6.907 -0.009 1.00 0.00 C ATOM 950 O TYR A 71 -9.683 6.902 0.131 1.00 0.00 O ATOM 951 CB TYR A 71 -11.488 7.451 -2.402 1.00 0.00 C ATOM 952 CG TYR A 71 -11.205 6.839 -3.758 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.446 5.487 -3.983 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.690 7.594 -4.803 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.187 4.904 -5.201 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.426 7.017 -6.033 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.675 5.671 -6.227 1.00 0.00 C ATOM 958 OH TYR A 71 -10.417 5.097 -7.450 1.00 0.00 O ATOM 0 H TYR A 71 -13.589 6.417 -1.583 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.888 5.563 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.446 7.970 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.728 8.198 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.846 4.882 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.493 8.645 -4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.383 3.853 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.027 7.616 -6.838 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.061 5.775 -8.061 1.00 0.00 H new ATOM 968 N LYS A 72 -11.736 7.298 0.947 1.00 0.00 N ATOM 969 CA LYS A 72 -11.229 7.749 2.234 1.00 0.00 C ATOM 970 C LYS A 72 -10.767 6.536 3.028 1.00 0.00 C ATOM 971 O LYS A 72 -9.747 6.574 3.711 1.00 0.00 O ATOM 972 CB LYS A 72 -12.286 8.491 3.010 1.00 0.00 C ATOM 973 CG LYS A 72 -11.760 9.185 4.255 1.00 0.00 C ATOM 974 CD LYS A 72 -11.905 8.306 5.486 1.00 0.00 C ATOM 975 CE LYS A 72 -11.432 9.022 6.741 1.00 0.00 C ATOM 976 NZ LYS A 72 -12.362 10.113 7.141 1.00 0.00 N ATOM 0 H LYS A 72 -12.752 7.312 0.857 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.398 8.433 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.747 9.234 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.069 7.791 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.711 9.444 4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.301 10.119 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.948 8.013 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.330 7.390 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.342 8.304 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.438 9.436 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.080 10.486 8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.326 10.876 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.331 9.740 7.197 1.00 0.00 H new ATOM 990 N ALA A 73 -11.513 5.436 2.895 1.00 0.00 N ATOM 991 CA ALA A 73 -11.155 4.192 3.558 1.00 0.00 C ATOM 992 C ALA A 73 -9.819 3.755 2.996 1.00 0.00 C ATOM 993 O ALA A 73 -8.864 3.490 3.732 1.00 0.00 O ATOM 994 CB ALA A 73 -12.219 3.128 3.331 1.00 0.00 C ATOM 0 H ALA A 73 -12.364 5.387 2.335 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.086 4.338 4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.927 2.208 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.172 3.475 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.321 2.938 2.263 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.745 3.769 1.667 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.508 3.464 0.973 1.00 0.00 C ATOM 1002 C ILE A 74 -7.487 4.511 1.400 1.00 0.00 C ATOM 1003 O ILE A 74 -6.308 4.221 1.620 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.721 3.492 -0.560 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.317 2.163 -1.021 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.426 3.783 -1.306 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.633 2.303 -1.743 1.00 0.00 C ATOM 0 H ILE A 74 -10.530 3.989 1.054 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.158 2.463 1.226 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.415 4.300 -0.790 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.604 1.665 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.456 1.518 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.619 3.794 -2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.038 4.754 -0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.693 3.010 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.992 1.317 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.362 2.772 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.497 2.921 -2.631 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.999 5.729 1.563 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.223 6.862 2.016 1.00 0.00 C ATOM 1013 C ASN A 75 -6.614 6.544 3.376 1.00 0.00 C ATOM 1014 O ASN A 75 -5.455 6.858 3.646 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.156 8.072 2.093 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.471 9.360 1.723 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.734 9.944 2.515 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.720 9.805 0.504 1.00 0.00 N ATOM 0 H ASN A 75 -8.978 5.951 1.380 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.407 7.082 1.328 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.005 7.913 1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.554 8.155 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.292 10.673 0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.340 9.281 -0.114 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.411 5.890 4.215 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.974 5.483 5.542 1.00 0.00 C ATOM 1025 C GLU A 76 -5.926 4.374 5.433 1.00 0.00 C ATOM 1026 O GLU A 76 -4.819 4.492 5.967 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.173 5.001 6.364 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.333 5.727 7.690 1.00 0.00 C ATOM 1029 CD GLU A 76 -7.150 5.517 8.616 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -6.926 4.365 9.041 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -6.448 6.507 8.913 1.00 0.00 O ATOM 0 H GLU A 76 -8.372 5.629 3.994 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.525 6.340 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.082 5.131 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.067 3.933 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.459 6.793 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.241 5.380 8.183 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.277 3.300 4.718 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.359 2.182 4.521 1.00 0.00 C ATOM 1040 C VAL A 77 -4.007 2.691 4.063 1.00 0.00 C ATOM 1041 O VAL A 77 -2.969 2.313 4.605 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.878 1.186 3.470 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.110 -0.124 3.550 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.363 0.953 3.647 1.00 0.00 C ATOM 0 H VAL A 77 -7.186 3.185 4.270 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.275 1.670 5.480 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.717 1.613 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.491 -0.816 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.052 0.063 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.236 -0.559 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.713 0.246 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.552 0.548 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.896 1.897 3.533 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.033 3.561 3.061 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.809 4.136 2.531 1.00 0.00 C ATOM 1050 C GLU A 78 -2.025 4.810 3.650 1.00 0.00 C ATOM 1051 O GLU A 78 -0.795 4.792 3.663 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.127 5.141 1.417 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.938 5.996 0.998 1.00 0.00 C ATOM 1054 CD GLU A 78 -2.258 6.902 -0.175 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -3.434 7.301 -0.314 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -1.332 7.214 -0.952 1.00 0.00 O ATOM 0 H GLU A 78 -4.886 3.881 2.602 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.200 3.338 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.496 4.599 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.933 5.795 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.615 6.603 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.103 5.347 0.734 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.754 5.389 4.597 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.136 6.052 5.732 1.00 0.00 C ATOM 1065 C GLU A 79 -1.493 5.022 6.649 1.00 0.00 C ATOM 1066 O GLU A 79 -0.356 5.193 7.089 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.170 6.879 6.501 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.764 8.331 6.695 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.858 9.161 7.335 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -4.818 9.528 6.625 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -3.756 9.445 8.548 1.00 0.00 O ATOM 0 H GLU A 79 -3.774 5.411 4.599 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.364 6.727 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.120 6.844 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.335 6.423 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.869 8.374 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.503 8.764 5.729 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.219 3.939 6.920 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.693 2.878 7.771 1.00 0.00 C ATOM 1080 C LYS A 80 -0.508 2.205 7.085 1.00 0.00 C ATOM 1081 O LYS A 80 0.543 1.992 7.693 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.782 1.847 8.087 1.00 0.00 C ATOM 1083 CG LYS A 80 -2.991 1.623 9.576 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.454 1.366 9.901 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.634 0.892 11.336 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.114 -0.516 11.399 1.00 0.00 N ATOM 0 H LYS A 80 -3.162 3.775 6.567 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.358 3.317 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.721 2.174 7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.520 0.898 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.390 0.776 9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.642 2.495 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.028 2.279 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.853 0.617 9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.686 0.977 11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.345 1.541 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.224 -0.801 12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.031 -0.592 10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.423 -1.139 10.934 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.687 1.883 5.808 1.00 0.00 N ATOM 1101 CA LEU A 81 0.363 1.242 5.023 1.00 0.00 C ATOM 1102 C LEU A 81 1.583 2.155 4.901 1.00 0.00 C ATOM 1103 O LEU A 81 2.719 1.707 5.070 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.170 0.859 3.632 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.242 -0.646 3.337 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.095 -1.152 2.822 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.674 -1.428 4.571 1.00 0.00 C ATOM 0 H LEU A 81 -1.551 2.056 5.294 1.00 0.00 H new ATOM 0 HA LEU A 81 0.672 0.333 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.168 1.281 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.463 1.328 2.879 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.993 -0.802 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.026 -2.221 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.355 -0.624 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.865 -0.975 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.716 -2.491 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.044 -1.265 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.659 -1.089 4.890 1.00 0.00 H new ATOM 1113 N GLU A 82 1.352 3.439 4.618 1.00 0.00 N ATOM 1114 CA GLU A 82 2.452 4.390 4.492 1.00 0.00 C ATOM 1115 C GLU A 82 3.128 4.607 5.839 1.00 0.00 C ATOM 1116 O GLU A 82 4.333 4.394 5.983 1.00 0.00 O ATOM 1117 CB GLU A 82 1.954 5.720 3.934 1.00 0.00 C ATOM 1118 CG GLU A 82 3.066 6.615 3.416 1.00 0.00 C ATOM 1119 CD GLU A 82 2.728 7.252 2.083 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.405 6.508 1.133 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.789 8.497 1.987 1.00 0.00 O ATOM 0 H GLU A 82 0.424 3.838 4.474 1.00 0.00 H new ATOM 0 HA GLU A 82 3.182 3.974 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.250 5.525 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.406 6.249 4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.268 7.397 4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.980 6.030 3.314 1.00 0.00 H new ATOM 1128 N ARG A 83 2.345 5.018 6.834 1.00 0.00 N ATOM 1129 CA ARG A 83 2.886 5.237 8.171 1.00 0.00 C ATOM 1130 C ARG A 83 3.675 4.007 8.606 1.00 0.00 C ATOM 1131 O ARG A 83 4.774 4.113 9.154 1.00 0.00 O ATOM 1132 CB ARG A 83 1.767 5.544 9.173 1.00 0.00 C ATOM 1133 CG ARG A 83 0.965 4.324 9.600 1.00 0.00 C ATOM 1134 CD ARG A 83 -0.054 4.674 10.673 1.00 0.00 C ATOM 1135 NE ARG A 83 0.350 4.190 11.991 1.00 0.00 N ATOM 1136 CZ ARG A 83 -0.272 4.515 13.123 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -1.324 5.323 13.102 1.00 0.00 N ATOM 1138 NH2 ARG A 83 0.160 4.029 14.279 1.00 0.00 N ATOM 0 H ARG A 83 1.346 5.204 6.741 1.00 0.00 H new ATOM 0 HA ARG A 83 3.551 6.100 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.203 6.007 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.089 6.275 8.732 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.453 3.903 8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.641 3.556 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.186 5.755 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.020 4.244 10.409 1.00 0.00 H new ATOM 0 HE ARG A 83 1.155 3.567 12.048 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.661 5.699 12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.796 5.568 13.972 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.968 3.407 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.316 4.277 15.146 1.00 0.00 H new ATOM 1152 N GLN A 84 3.116 2.832 8.316 1.00 0.00 N ATOM 1153 CA GLN A 84 3.780 1.581 8.638 1.00 0.00 C ATOM 1154 C GLN A 84 5.074 1.486 7.839 1.00 0.00 C ATOM 1155 O GLN A 84 6.110 1.061 8.358 1.00 0.00 O ATOM 1156 CB GLN A 84 2.867 0.394 8.334 1.00 0.00 C ATOM 1157 CG GLN A 84 1.795 0.168 9.384 1.00 0.00 C ATOM 1158 CD GLN A 84 0.758 -0.848 8.951 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.066 -2.027 8.767 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.480 -0.397 8.786 1.00 0.00 N ATOM 0 H GLN A 84 2.209 2.726 7.861 1.00 0.00 H new ATOM 0 HA GLN A 84 4.011 1.556 9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.389 0.552 7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.474 -0.507 8.246 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.263 -0.168 10.309 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.301 1.115 9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.690 0.588 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.221 -1.035 8.496 1.00 0.00 H new ATOM 1167 N LEU A 85 5.019 1.929 6.579 1.00 0.00 N ATOM 1168 CA LEU A 85 6.201 1.937 5.724 1.00 0.00 C ATOM 1169 C LEU A 85 7.291 2.749 6.412 1.00 0.00 C ATOM 1170 O LEU A 85 8.434 2.299 6.565 1.00 0.00 O ATOM 1171 CB LEU A 85 5.877 2.549 4.354 1.00 0.00 C ATOM 1172 CG LEU A 85 5.860 1.567 3.178 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.769 1.951 2.187 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.223 1.522 2.490 1.00 0.00 C ATOM 0 H LEU A 85 4.172 2.284 6.134 1.00 0.00 H new ATOM 0 HA LEU A 85 6.539 0.913 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.902 3.033 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.608 3.329 4.142 1.00 0.00 H new ATOM 0 HG LEU A 85 5.644 0.570 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.767 1.245 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.800 1.927 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.958 2.956 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.188 0.818 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.474 2.514 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.981 1.201 3.205 1.00 0.00 H new ATOM 1180 N ASN A 86 6.906 3.943 6.860 1.00 0.00 N ATOM 1181 CA ASN A 86 7.817 4.826 7.571 1.00 0.00 C ATOM 1182 C ASN A 86 8.306 4.135 8.835 1.00 0.00 C ATOM 1183 O ASN A 86 9.458 4.296 9.239 1.00 0.00 O ATOM 1184 CB ASN A 86 7.123 6.147 7.916 1.00 0.00 C ATOM 1185 CG ASN A 86 8.095 7.309 7.989 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.251 7.143 8.382 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.631 8.494 7.610 1.00 0.00 N ATOM 0 H ASN A 86 5.965 4.318 6.740 1.00 0.00 H new ATOM 0 HA ASN A 86 8.671 5.050 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.361 6.361 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.610 6.046 8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.239 9.312 7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.666 8.586 7.291 1.00 0.00 H new ATOM 1192 N LYS A 87 7.430 3.333 9.438 1.00 0.00 N ATOM 1193 CA LYS A 87 7.787 2.585 10.635 1.00 0.00 C ATOM 1194 C LYS A 87 8.916 1.625 10.305 1.00 0.00 C ATOM 1195 O LYS A 87 9.971 1.643 10.939 1.00 0.00 O ATOM 1196 CB LYS A 87 6.587 1.799 11.163 1.00 0.00 C ATOM 1197 CG LYS A 87 6.240 2.111 12.609 1.00 0.00 C ATOM 1198 CD LYS A 87 4.974 1.394 13.044 1.00 0.00 C ATOM 1199 CE LYS A 87 4.640 1.685 14.499 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.739 2.863 14.637 1.00 0.00 N ATOM 0 H LYS A 87 6.473 3.187 9.117 1.00 0.00 H new ATOM 0 HA LYS A 87 8.105 3.287 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.721 2.012 10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.793 0.733 11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.067 1.816 13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.110 3.187 12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.143 1.704 12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.097 0.320 12.906 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.165 0.811 14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.561 1.865 15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.535 3.028 15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.202 3.703 14.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.850 2.681 14.129 1.00 0.00 H new ATOM 1214 N LEU A 88 8.690 0.796 9.288 1.00 0.00 N ATOM 1215 CA LEU A 88 9.698 -0.161 8.852 1.00 0.00 C ATOM 1216 C LEU A 88 11.007 0.568 8.587 1.00 0.00 C ATOM 1217 O LEU A 88 12.067 0.169 9.069 1.00 0.00 O ATOM 1218 CB LEU A 88 9.254 -0.882 7.573 1.00 0.00 C ATOM 1219 CG LEU A 88 8.361 -2.123 7.741 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.577 -2.100 9.047 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.407 -2.236 6.563 1.00 0.00 C ATOM 0 H LEU A 88 7.821 0.769 8.754 1.00 0.00 H new ATOM 0 HA LEU A 88 9.833 -0.902 9.640 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.722 -0.165 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.148 -1.180 7.025 1.00 0.00 H new ATOM 0 HG LEU A 88 9.015 -2.994 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.962 -2.997 9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.271 -2.068 9.887 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.936 -1.218 9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.777 -3.117 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.780 -1.346 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.979 -2.327 5.639 1.00 0.00 H new ATOM 1227 N GLN A 89 10.914 1.655 7.824 1.00 0.00 N ATOM 1228 CA GLN A 89 12.086 2.460 7.504 1.00 0.00 C ATOM 1229 C GLN A 89 12.664 3.071 8.776 1.00 0.00 C ATOM 1230 O GLN A 89 13.869 3.310 8.876 1.00 0.00 O ATOM 1231 CB GLN A 89 11.723 3.571 6.513 1.00 0.00 C ATOM 1232 CG GLN A 89 11.223 3.063 5.172 1.00 0.00 C ATOM 1233 CD GLN A 89 10.900 4.185 4.215 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.374 3.828 3.055 1.00 0.00 O flip ATOM 1235 NE2 GLN A 89 11.121 5.359 4.514 1.00 0.00 N flip ATOM 0 H GLN A 89 10.042 1.996 7.418 1.00 0.00 H new ATOM 0 HA GLN A 89 12.833 1.813 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.956 4.205 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.599 4.198 6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.979 2.416 4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.333 2.453 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 89 11.528 5.586 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.897 6.104 3.855 1.00 0.00 H new ATOM 1242 N HIS A 90 11.790 3.318 9.748 1.00 0.00 N ATOM 1243 CA HIS A 90 12.193 3.896 11.024 1.00 0.00 C ATOM 1244 C HIS A 90 12.874 2.854 11.899 1.00 0.00 C ATOM 1245 O HIS A 90 14.082 2.910 12.135 1.00 0.00 O ATOM 1246 CB HIS A 90 10.970 4.445 11.759 1.00 0.00 C ATOM 1247 CG HIS A 90 10.609 5.844 11.369 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.547 6.796 11.025 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.404 6.455 11.270 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.935 7.930 10.732 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.635 7.749 10.874 1.00 0.00 N ATOM 0 H HIS A 90 10.791 3.125 9.674 1.00 0.00 H new ATOM 0 HA HIS A 90 12.896 4.704 10.822 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.118 3.793 11.566 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.158 4.414 12.832 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.441 6.007 11.466 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.416 8.848 10.428 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.918 8.457 10.715 1.00 0.00 H new ATOM 1260 N LYS A 91 12.079 1.906 12.379 1.00 0.00 N ATOM 1261 CA LYS A 91 12.570 0.840 13.233 1.00 0.00 C ATOM 1262 C LYS A 91 13.316 1.395 14.443 1.00 0.00 C ATOM 1263 O LYS A 91 14.466 1.821 14.334 1.00 0.00 O ATOM 1264 CB LYS A 91 13.478 -0.104 12.442 1.00 0.00 C ATOM 1265 CG LYS A 91 12.734 -1.263 11.795 1.00 0.00 C ATOM 1266 CD LYS A 91 13.271 -2.606 12.264 1.00 0.00 C ATOM 1267 CE LYS A 91 12.198 -3.683 12.216 1.00 0.00 C ATOM 1268 NZ LYS A 91 11.727 -4.058 13.577 1.00 0.00 N ATOM 0 H LYS A 91 11.079 1.857 12.186 1.00 0.00 H new ATOM 0 HA LYS A 91 11.707 0.282 13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.993 0.464 11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.244 -0.501 13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.673 -1.192 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.824 -1.193 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.113 -2.901 11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.649 -2.512 13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.354 -3.328 11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.592 -4.566 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.996 -4.794 13.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.527 -4.420 14.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.328 -3.222 14.049 1.00 0.00 H new ATOM 1282 N SER A 92 12.653 1.385 15.594 1.00 0.00 N ATOM 1283 CA SER A 92 13.253 1.884 16.827 1.00 0.00 C ATOM 1284 C SER A 92 14.209 0.854 17.422 1.00 0.00 C ATOM 1285 O SER A 92 15.171 1.208 18.105 1.00 0.00 O ATOM 1286 CB SER A 92 12.164 2.233 17.844 1.00 0.00 C ATOM 1287 OG SER A 92 11.485 3.422 17.478 1.00 0.00 O ATOM 0 H SER A 92 11.700 1.037 15.700 1.00 0.00 H new ATOM 0 HA SER A 92 13.819 2.784 16.588 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.452 1.411 17.915 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.610 2.354 18.831 1.00 0.00 H new ATOM 0 HG SER A 92 10.793 3.622 18.143 1.00 0.00 H new ATOM 1293 N GLU A 93 13.939 -0.420 17.158 1.00 0.00 N ATOM 1294 CA GLU A 93 14.777 -1.502 17.666 1.00 0.00 C ATOM 1295 C GLU A 93 15.781 -1.954 16.610 1.00 0.00 C ATOM 1296 O GLU A 93 16.101 -3.139 16.512 1.00 0.00 O ATOM 1297 CB GLU A 93 13.909 -2.685 18.101 1.00 0.00 C ATOM 1298 CG GLU A 93 13.057 -3.258 16.981 1.00 0.00 C ATOM 1299 CD GLU A 93 12.812 -4.746 17.138 1.00 0.00 C ATOM 1300 OE1 GLU A 93 13.676 -5.538 16.708 1.00 0.00 O ATOM 1301 OE2 GLU A 93 11.755 -5.118 17.690 1.00 0.00 O ATOM 0 H GLU A 93 13.147 -0.729 16.595 1.00 0.00 H new ATOM 0 HA GLU A 93 15.328 -1.128 18.529 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.552 -3.471 18.496 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.258 -2.367 18.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.100 -2.737 16.954 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.547 -3.073 16.025 1.00 0.00 H new ATOM 1308 N SER A 94 16.272 -1.004 15.821 1.00 0.00 N ATOM 1309 CA SER A 94 17.240 -1.305 14.772 1.00 0.00 C ATOM 1310 C SER A 94 18.105 -0.087 14.466 1.00 0.00 C ATOM 1311 O SER A 94 17.672 1.053 14.638 1.00 0.00 O ATOM 1312 CB SER A 94 16.520 -1.768 13.504 1.00 0.00 C ATOM 1313 OG SER A 94 17.186 -2.870 12.912 1.00 0.00 O ATOM 0 H SER A 94 16.016 -0.019 15.888 1.00 0.00 H new ATOM 0 HA SER A 94 17.887 -2.107 15.126 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.494 -2.046 13.746 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.467 -0.945 12.791 1.00 0.00 H new ATOM 0 HG SER A 94 16.705 -3.148 12.105 1.00 0.00 H new ATOM 1319 N ARG A 95 19.329 -0.335 14.012 1.00 0.00 N ATOM 1320 CA ARG A 95 20.255 0.742 13.683 1.00 0.00 C ATOM 1321 C ARG A 95 20.529 0.786 12.181 1.00 0.00 C ATOM 1322 O ARG A 95 19.817 0.165 11.392 1.00 0.00 O ATOM 1323 CB ARG A 95 21.567 0.569 14.452 1.00 0.00 C ATOM 1324 CG ARG A 95 22.030 1.835 15.157 1.00 0.00 C ATOM 1325 CD ARG A 95 23.461 2.197 14.787 1.00 0.00 C ATOM 1326 NE ARG A 95 24.375 2.044 15.917 1.00 0.00 N ATOM 1327 CZ ARG A 95 24.875 0.876 16.314 1.00 0.00 C ATOM 1328 NH1 ARG A 95 24.552 -0.243 15.677 1.00 0.00 N ATOM 1329 NH2 ARG A 95 25.698 0.827 17.352 1.00 0.00 N ATOM 0 H ARG A 95 19.703 -1.272 13.864 1.00 0.00 H new ATOM 0 HA ARG A 95 19.795 1.686 13.976 1.00 0.00 H new ATOM 0 HB2 ARG A 95 21.444 -0.224 15.190 1.00 0.00 H new ATOM 0 HB3 ARG A 95 22.344 0.243 13.760 1.00 0.00 H new ATOM 0 HG2 ARG A 95 21.367 2.660 14.895 1.00 0.00 H new ATOM 0 HG3 ARG A 95 21.957 1.698 16.236 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.793 1.565 13.964 1.00 0.00 H new ATOM 0 HD3 ARG A 95 23.494 3.227 14.431 1.00 0.00 H new ATOM 0 HE ARG A 95 24.646 2.882 16.432 1.00 0.00 H new ATOM 0 HH11 ARG A 95 23.918 -0.211 14.879 1.00 0.00 H new ATOM 0 HH12 ARG A 95 24.938 -1.135 15.986 1.00 0.00 H new ATOM 0 HH21 ARG A 95 25.948 1.684 17.846 1.00 0.00 H new ATOM 0 HH22 ARG A 95 26.082 -0.068 17.657 1.00 0.00 H new ATOM 1343 N ARG A 96 21.565 1.523 11.794 1.00 0.00 N ATOM 1344 CA ARG A 96 21.934 1.648 10.388 1.00 0.00 C ATOM 1345 C ARG A 96 20.814 2.311 9.590 1.00 0.00 C ATOM 1346 O ARG A 96 20.307 1.745 8.620 1.00 0.00 O ATOM 1347 CB ARG A 96 22.260 0.273 9.799 1.00 0.00 C ATOM 1348 CG ARG A 96 23.736 -0.082 9.868 1.00 0.00 C ATOM 1349 CD ARG A 96 24.115 -1.097 8.801 1.00 0.00 C ATOM 1350 NE ARG A 96 25.518 -0.980 8.410 1.00 0.00 N ATOM 1351 CZ ARG A 96 26.176 -1.913 7.724 1.00 0.00 C ATOM 1352 NH1 ARG A 96 25.563 -3.031 7.353 1.00 0.00 N ATOM 1353 NH2 ARG A 96 27.451 -1.728 7.409 1.00 0.00 N ATOM 0 H ARG A 96 22.164 2.043 12.435 1.00 0.00 H new ATOM 0 HA ARG A 96 22.821 2.278 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 96 21.687 -0.486 10.331 1.00 0.00 H new ATOM 0 HB3 ARG A 96 21.936 0.246 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 96 24.335 0.820 9.743 1.00 0.00 H new ATOM 0 HG3 ARG A 96 23.969 -0.485 10.854 1.00 0.00 H new ATOM 0 HD2 ARG A 96 23.925 -2.103 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 96 23.481 -0.957 7.925 1.00 0.00 H new ATOM 0 HE ARG A 96 26.023 -0.135 8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 96 24.583 -3.179 7.593 1.00 0.00 H new ATOM 0 HH12 ARG A 96 26.072 -3.742 6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 96 27.927 -0.872 7.692 1.00 0.00 H new ATOM 0 HH22 ARG A 96 27.955 -2.442 6.884 1.00 0.00 H new ATOM 1367 N ALA A 97 20.434 3.515 10.003 1.00 0.00 N ATOM 1368 CA ALA A 97 19.376 4.258 9.328 1.00 0.00 C ATOM 1369 C ALA A 97 19.939 5.476 8.603 1.00 0.00 C ATOM 1370 O ALA A 97 19.401 5.907 7.584 1.00 0.00 O ATOM 1371 CB ALA A 97 18.308 4.681 10.326 1.00 0.00 C ATOM 0 H ALA A 97 20.843 3.998 10.803 1.00 0.00 H new ATOM 0 HA ALA A 97 18.922 3.603 8.585 1.00 0.00 H new ATOM 0 HB1 ALA A 97 17.525 5.235 9.808 1.00 0.00 H new ATOM 0 HB2 ALA A 97 17.877 3.796 10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 97 18.756 5.316 11.091 1.00 0.00 H new ATOM 1377 N ASP A 98 21.025 6.028 9.137 1.00 0.00 N ATOM 1378 CA ASP A 98 21.662 7.196 8.540 1.00 0.00 C ATOM 1379 C ASP A 98 23.180 7.040 8.530 1.00 0.00 C ATOM 1380 O ASP A 98 23.839 7.231 9.551 1.00 0.00 O ATOM 1381 CB ASP A 98 21.273 8.461 9.306 1.00 0.00 C ATOM 1382 CG ASP A 98 21.573 9.725 8.525 1.00 0.00 C ATOM 1383 OD1 ASP A 98 22.686 9.830 7.969 1.00 0.00 O ATOM 1384 OD2 ASP A 98 20.694 10.611 8.469 1.00 0.00 O ATOM 0 H ASP A 98 21.482 5.685 9.982 1.00 0.00 H new ATOM 0 HA ASP A 98 21.316 7.283 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.209 8.427 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 98 21.809 8.487 10.255 1.00 0.00 H new ATOM 1389 N GLU A 99 23.725 6.688 7.371 1.00 0.00 N ATOM 1390 CA GLU A 99 25.165 6.505 7.228 1.00 0.00 C ATOM 1391 C GLU A 99 25.793 7.665 6.463 1.00 0.00 C ATOM 1392 O GLU A 99 26.963 7.990 6.662 1.00 0.00 O ATOM 1393 CB GLU A 99 25.463 5.186 6.513 1.00 0.00 C ATOM 1394 CG GLU A 99 25.013 3.958 7.290 1.00 0.00 C ATOM 1395 CD GLU A 99 26.070 3.462 8.257 1.00 0.00 C ATOM 1396 OE1 GLU A 99 26.172 4.028 9.366 1.00 0.00 O ATOM 1397 OE2 GLU A 99 26.795 2.508 7.906 1.00 0.00 O ATOM 0 H GLU A 99 23.192 6.524 6.517 1.00 0.00 H new ATOM 0 HA GLU A 99 25.601 6.478 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 99 24.972 5.190 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 99 26.535 5.116 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 99 24.103 4.195 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 99 24.763 3.161 6.590 1.00 0.00 H new ATOM 1404 N ARG A 100 25.009 8.285 5.587 1.00 0.00 N ATOM 1405 CA ARG A 100 25.493 9.408 4.793 1.00 0.00 C ATOM 1406 C ARG A 100 24.416 10.480 4.652 1.00 0.00 C ATOM 1407 O ARG A 100 23.255 10.175 4.375 1.00 0.00 O ATOM 1408 CB ARG A 100 25.940 8.927 3.410 1.00 0.00 C ATOM 1409 CG ARG A 100 27.316 9.432 3.007 1.00 0.00 C ATOM 1410 CD ARG A 100 27.236 10.794 2.338 1.00 0.00 C ATOM 1411 NE ARG A 100 27.577 11.878 3.258 1.00 0.00 N ATOM 1412 CZ ARG A 100 28.794 12.067 3.762 1.00 0.00 C ATOM 1413 NH1 ARG A 100 29.789 11.249 3.438 1.00 0.00 N ATOM 1414 NH2 ARG A 100 29.019 13.076 4.592 1.00 0.00 N ATOM 0 H ARG A 100 24.038 8.029 5.409 1.00 0.00 H new ATOM 0 HA ARG A 100 26.347 9.846 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 100 25.944 7.837 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 100 25.211 9.252 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 100 27.954 9.496 3.889 1.00 0.00 H new ATOM 0 HG3 ARG A 100 27.782 8.718 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 100 27.912 10.818 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 100 26.229 10.950 1.952 1.00 0.00 H new ATOM 0 HE ARG A 100 26.839 12.527 3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 100 29.622 10.471 2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 100 30.720 11.399 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 100 28.259 13.708 4.845 1.00 0.00 H new ATOM 0 HH22 ARG A 100 29.952 13.220 4.978 1.00 0.00 H new ATOM 1428 N LEU A 101 24.808 11.735 4.845 1.00 0.00 N ATOM 1429 CA LEU A 101 23.876 12.851 4.741 1.00 0.00 C ATOM 1430 C LEU A 101 24.449 13.959 3.861 1.00 0.00 C ATOM 1431 O LEU A 101 25.600 14.361 4.024 1.00 0.00 O ATOM 1432 CB LEU A 101 23.551 13.404 6.130 1.00 0.00 C ATOM 1433 CG LEU A 101 24.766 13.805 6.968 1.00 0.00 C ATOM 1434 CD1 LEU A 101 25.136 15.257 6.713 1.00 0.00 C ATOM 1435 CD2 LEU A 101 24.491 13.575 8.447 1.00 0.00 C ATOM 0 H LEU A 101 25.765 12.004 5.074 1.00 0.00 H new ATOM 0 HA LEU A 101 22.959 12.483 4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 101 22.904 14.274 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 101 22.982 12.654 6.679 1.00 0.00 H new ATOM 0 HG LEU A 101 25.609 13.180 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 101 26.003 15.523 7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 101 25.375 15.392 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 101 24.296 15.899 6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 101 25.366 13.865 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 101 23.634 14.174 8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 101 24.276 12.520 8.617 1.00 0.00 H new ATOM 1441 N LYS A 102 23.636 14.448 2.930 1.00 0.00 N ATOM 1442 CA LYS A 102 24.062 15.508 2.025 1.00 0.00 C ATOM 1443 C LYS A 102 24.086 16.856 2.739 1.00 0.00 C ATOM 1444 O LYS A 102 23.754 16.949 3.922 1.00 0.00 O ATOM 1445 CB LYS A 102 23.133 15.577 0.811 1.00 0.00 C ATOM 1446 CG LYS A 102 21.657 15.602 1.176 1.00 0.00 C ATOM 1447 CD LYS A 102 20.978 14.281 0.853 1.00 0.00 C ATOM 1448 CE LYS A 102 19.464 14.400 0.923 1.00 0.00 C ATOM 1449 NZ LYS A 102 18.992 14.660 2.312 1.00 0.00 N ATOM 0 H LYS A 102 22.679 14.127 2.783 1.00 0.00 H new ATOM 0 HA LYS A 102 25.072 15.278 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 102 23.371 16.469 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 102 23.325 14.719 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 102 21.548 15.817 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 102 21.161 16.408 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 102 21.272 13.954 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 102 21.316 13.516 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.132 15.207 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.010 13.482 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.954 14.718 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.301 13.886 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.391 15.558 2.652 1.00 0.00 H new ATOM 1463 N ASP A 103 24.478 17.898 2.014 1.00 0.00 N ATOM 1464 CA ASP A 103 24.544 19.241 2.578 1.00 0.00 C ATOM 1465 C ASP A 103 23.769 20.231 1.716 1.00 0.00 C ATOM 1466 O ASP A 103 22.948 20.998 2.220 1.00 0.00 O ATOM 1467 CB ASP A 103 26.001 19.690 2.708 1.00 0.00 C ATOM 1468 CG ASP A 103 26.794 19.454 1.438 1.00 0.00 C ATOM 1469 OD1 ASP A 103 27.008 18.275 1.082 1.00 0.00 O ATOM 1470 OD2 ASP A 103 27.200 20.446 0.797 1.00 0.00 O ATOM 0 H ASP A 103 24.755 17.838 1.034 1.00 0.00 H new ATOM 0 HA ASP A 103 24.089 19.216 3.568 1.00 0.00 H new ATOM 0 HB2 ASP A 103 26.031 20.750 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 103 26.472 19.153 3.532 1.00 0.00 H new ATOM 1475 N SER A 104 24.035 20.210 0.414 1.00 0.00 N ATOM 1476 CA SER A 104 23.362 21.107 -0.518 1.00 0.00 C ATOM 1477 C SER A 104 21.994 20.556 -0.912 1.00 0.00 C ATOM 1478 O SER A 104 21.891 19.461 -1.465 1.00 0.00 O ATOM 1479 CB SER A 104 24.219 21.314 -1.768 1.00 0.00 C ATOM 1480 OG SER A 104 24.732 20.084 -2.246 1.00 0.00 O ATOM 0 H SER A 104 24.712 19.582 -0.019 1.00 0.00 H new ATOM 0 HA SER A 104 23.219 22.066 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 104 23.622 21.789 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 104 25.043 21.990 -1.540 1.00 0.00 H new ATOM 0 HG SER A 104 24.037 19.395 -2.188 1.00 0.00 H new ATOM 1486 N PHE A 105 20.947 21.322 -0.621 1.00 0.00 N ATOM 1487 CA PHE A 105 19.587 20.911 -0.944 1.00 0.00 C ATOM 1488 C PHE A 105 18.589 22.011 -0.598 1.00 0.00 C ATOM 1489 O PHE A 105 18.731 22.695 0.416 1.00 0.00 O ATOM 1490 CB PHE A 105 19.227 19.627 -0.194 1.00 0.00 C ATOM 1491 CG PHE A 105 18.201 18.786 -0.897 1.00 0.00 C ATOM 1492 CD1 PHE A 105 18.431 18.320 -2.182 1.00 0.00 C ATOM 1493 CD2 PHE A 105 17.006 18.463 -0.274 1.00 0.00 C ATOM 1494 CE1 PHE A 105 17.487 17.546 -2.831 1.00 0.00 C ATOM 1495 CE2 PHE A 105 16.059 17.690 -0.919 1.00 0.00 C ATOM 1496 CZ PHE A 105 16.300 17.231 -2.199 1.00 0.00 C ATOM 0 H PHE A 105 21.015 22.230 -0.162 1.00 0.00 H new ATOM 0 HA PHE A 105 19.537 20.723 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 105 20.131 19.036 -0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 105 18.854 19.887 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 105 19.357 18.564 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.812 18.819 0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.678 17.188 -3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 105 15.132 17.445 -0.423 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.562 16.627 -2.705 1.00 0.00 H new ATOM 1506 N GLU A 106 17.580 22.177 -1.446 1.00 0.00 N ATOM 1507 CA GLU A 106 16.558 23.195 -1.230 1.00 0.00 C ATOM 1508 C GLU A 106 15.246 22.562 -0.778 1.00 0.00 C ATOM 1509 O GLU A 106 14.517 21.980 -1.582 1.00 0.00 O ATOM 1510 CB GLU A 106 16.334 24.002 -2.510 1.00 0.00 C ATOM 1511 CG GLU A 106 15.899 25.436 -2.255 1.00 0.00 C ATOM 1512 CD GLU A 106 14.431 25.546 -1.894 1.00 0.00 C ATOM 1513 OE1 GLU A 106 13.599 24.935 -2.599 1.00 0.00 O ATOM 1514 OE2 GLU A 106 14.113 26.240 -0.906 1.00 0.00 O ATOM 0 H GLU A 106 17.448 21.619 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 106 16.908 23.864 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 106 17.256 24.008 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 106 15.578 23.504 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 106 16.500 25.856 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 106 16.096 26.035 -3.144 1.00 0.00 H new ATOM 1521 N ASN A 107 14.952 22.679 0.513 1.00 0.00 N ATOM 1522 CA ASN A 107 13.728 22.117 1.071 1.00 0.00 C ATOM 1523 C ASN A 107 12.502 22.867 0.559 1.00 0.00 C ATOM 1524 O ASN A 107 11.548 22.251 0.088 1.00 99.99 O ATOM 1525 CB ASN A 107 13.769 22.171 2.600 1.00 0.00 C ATOM 1526 CG ASN A 107 14.131 23.547 3.122 1.00 0.00 C ATOM 1527 OD1 ASN A 107 13.338 24.484 3.036 1.00 0.00 O ATOM 1528 ND2 ASN A 107 15.336 23.675 3.665 1.00 0.00 N ATOM 0 H ASN A 107 15.544 23.158 1.192 1.00 0.00 H new ATOM 0 HA ASN A 107 13.656 21.077 0.751 1.00 0.00 H new ATOM 0 HB2 ASN A 107 12.797 21.879 2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 107 14.494 21.444 2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.637 24.578 4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.961 22.870 3.715 1.00 0.00 H new TER 1533 ASN A 107