USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 895 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 85 MET CE :methyl 171:sc= -0.384 (180deg=-0.591) USER MOD Set 1.2: A 103 THR OG1 : rot -155:sc= -0.365 USER MOD Set 2.1: A 66 THR OG1 : rot -61:sc= 0.555 USER MOD Set 2.2: A 68 MET CE :methyl 130:sc=-0.00612 (180deg=-0.757) USER MOD Set 3.1: A 43 MET CE :methyl -134:sc= -0.0126 (180deg=-0.341) USER MOD Set 3.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 38 MET CE :methyl -178:sc= -0.12 (180deg=-0.123) USER MOD Set 4.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 3 THR OG1 : rot -80:sc= 1.28 USER MOD Set 5.2: A 6 GLN : amide:sc= 0.619 K(o=1.9,f=0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.654 K(o=-0.65,f=-0.00037) USER MOD Single : A 9 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-0.33) USER MOD Single : A 10 HIS : no HE2:sc= 0.869 K(o=0.87,f=-3!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.106 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 34:sc= 0.00648 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -129:sc= -1.4 (180deg=-3.29!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.234 K(o=0.23,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0981 X(o=-0.098,f=-0.0019) USER MOD Single : A 59 THR OG1 : rot 46:sc= -0.85 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -147:sc= -0.443 (180deg=-1.75!) USER MOD Single : A 69 MET CE :methyl -170:sc= 0 (180deg=-0.182) USER MOD Single : A 72 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.3) USER MOD Single : A 74 GLN : amide:sc= 0.73 K(o=0.73,f=-0.6) USER MOD Single : A 76 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.9) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 93:sc= 0.74 USER MOD Single : A 83 SER OG : rot 93:sc= 0.323 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 91 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.41) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -177:sc= 1.09 (180deg=0.91) USER MOD Single : A 106 GLN : amide:sc= -0.34 K(o=-0.34,f=-10!) USER MOD Single : A 107 THR OG1 : rot 43:sc= 0.134 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0737) USER MOD Single : A 116 MET CE :methyl -159:sc= -0.0398 (180deg=-0.188) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.186 1.049 -7.823 1.00 0.00 N ATOM 2 CA MET A 1 15.806 -0.031 -6.929 1.00 0.00 C ATOM 3 C MET A 1 15.579 0.493 -5.503 1.00 0.00 C ATOM 4 O MET A 1 16.526 0.806 -4.774 1.00 0.00 O ATOM 5 CB MET A 1 16.861 -1.145 -6.966 1.00 0.00 C ATOM 6 CG MET A 1 16.448 -2.313 -6.062 1.00 0.00 C ATOM 7 SD MET A 1 17.742 -3.547 -5.808 1.00 0.00 S ATOM 8 CE MET A 1 16.835 -4.687 -4.736 1.00 0.00 C ATOM 0 H1 MET A 1 16.334 0.671 -8.781 1.00 0.00 H new ATOM 0 H2 MET A 1 15.430 1.763 -7.846 1.00 0.00 H new ATOM 0 H3 MET A 1 17.066 1.487 -7.484 1.00 0.00 H new ATOM 0 HA MET A 1 14.861 -0.454 -7.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.988 -1.498 -7.989 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.824 -0.751 -6.642 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.144 -1.918 -5.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.575 -2.802 -6.495 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.478 -5.526 -4.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.524 -4.166 -3.830 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.955 -5.058 -5.261 1.00 0.00 H new ATOM 18 N VAL A 2 14.310 0.520 -5.106 1.00 0.00 N ATOM 19 CA VAL A 2 13.789 0.806 -3.771 1.00 0.00 C ATOM 20 C VAL A 2 14.445 -0.076 -2.685 1.00 0.00 C ATOM 21 O VAL A 2 14.922 -1.174 -2.985 1.00 0.00 O ATOM 22 CB VAL A 2 12.259 0.612 -3.888 1.00 0.00 C ATOM 23 CG1 VAL A 2 11.869 -0.839 -4.221 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.465 1.105 -2.675 1.00 0.00 C ATOM 0 H VAL A 2 13.556 0.326 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 2 14.025 1.819 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 2 11.979 1.250 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.784 -0.917 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.316 -1.127 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.231 -1.502 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.402 0.931 -2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.787 0.564 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.640 2.172 -2.534 1.00 0.00 H new ATOM 34 N THR A 3 14.419 0.347 -1.412 1.00 0.00 N ATOM 35 CA THR A 3 14.976 -0.416 -0.289 1.00 0.00 C ATOM 36 C THR A 3 14.000 -0.449 0.893 1.00 0.00 C ATOM 37 O THR A 3 13.092 0.375 0.945 1.00 0.00 O ATOM 38 CB THR A 3 16.308 0.208 0.159 1.00 0.00 C ATOM 39 OG1 THR A 3 16.132 1.563 0.489 1.00 0.00 O ATOM 40 CG2 THR A 3 17.394 0.097 -0.902 1.00 0.00 C ATOM 0 H THR A 3 14.006 1.237 -1.133 1.00 0.00 H new ATOM 0 HA THR A 3 15.146 -1.439 -0.625 1.00 0.00 H new ATOM 0 HB THR A 3 16.631 -0.356 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 3 16.117 2.100 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.312 0.554 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.577 -0.954 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.072 0.612 -1.807 1.00 0.00 H new ATOM 48 N PRO A 4 14.194 -1.338 1.882 1.00 0.00 N ATOM 49 CA PRO A 4 13.453 -1.319 3.144 1.00 0.00 C ATOM 50 C PRO A 4 13.694 -0.049 3.961 1.00 0.00 C ATOM 51 O PRO A 4 12.782 0.460 4.618 1.00 0.00 O ATOM 52 CB PRO A 4 13.969 -2.543 3.901 1.00 0.00 C ATOM 53 CG PRO A 4 15.341 -2.829 3.307 1.00 0.00 C ATOM 54 CD PRO A 4 15.106 -2.472 1.852 1.00 0.00 C ATOM 0 HA PRO A 4 12.378 -1.337 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.036 -2.345 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.300 -3.395 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.122 -2.219 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.636 -3.871 3.434 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.040 -2.213 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.675 -3.310 1.305 1.00 0.00 H new ATOM 62 N GLU A 5 14.933 0.433 3.969 1.00 0.00 N ATOM 63 CA GLU A 5 15.334 1.558 4.810 1.00 0.00 C ATOM 64 C GLU A 5 14.589 2.835 4.411 1.00 0.00 C ATOM 65 O GLU A 5 14.066 3.532 5.281 1.00 0.00 O ATOM 66 CB GLU A 5 16.851 1.800 4.727 1.00 0.00 C ATOM 67 CG GLU A 5 17.298 2.500 6.022 1.00 0.00 C ATOM 68 CD GLU A 5 18.691 3.127 5.943 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.689 2.369 5.992 1.00 0.00 O ATOM 70 OE2 GLU A 5 18.778 4.379 5.932 1.00 0.00 O ATOM 0 H GLU A 5 15.687 0.056 3.394 1.00 0.00 H new ATOM 0 HA GLU A 5 15.074 1.303 5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.380 0.855 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.091 2.416 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.575 3.277 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 5 17.282 1.777 6.837 1.00 0.00 H new ATOM 77 N GLN A 6 14.482 3.128 3.108 1.00 0.00 N ATOM 78 CA GLN A 6 13.786 4.314 2.599 1.00 0.00 C ATOM 79 C GLN A 6 12.255 4.213 2.741 1.00 0.00 C ATOM 80 O GLN A 6 11.521 4.981 2.118 1.00 0.00 O ATOM 81 CB GLN A 6 14.261 4.633 1.168 1.00 0.00 C ATOM 82 CG GLN A 6 13.726 3.728 0.061 1.00 0.00 C ATOM 83 CD GLN A 6 14.534 3.922 -1.220 1.00 0.00 C ATOM 84 OE1 GLN A 6 15.353 3.074 -1.558 1.00 0.00 O ATOM 85 NE2 GLN A 6 14.371 5.009 -1.956 1.00 0.00 N ATOM 0 H GLN A 6 14.880 2.543 2.373 1.00 0.00 H new ATOM 0 HA GLN A 6 14.055 5.166 3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 6 13.981 5.660 0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.350 4.588 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 6 13.778 2.686 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.676 3.953 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.691 5.716 -1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.926 5.140 -2.802 1.00 0.00 H new ATOM 94 N LEU A 7 11.764 3.253 3.530 1.00 0.00 N ATOM 95 CA LEU A 7 10.358 2.955 3.735 1.00 0.00 C ATOM 96 C LEU A 7 10.026 2.955 5.219 1.00 0.00 C ATOM 97 O LEU A 7 9.095 3.659 5.596 1.00 0.00 O ATOM 98 CB LEU A 7 10.010 1.599 3.123 1.00 0.00 C ATOM 99 CG LEU A 7 10.183 1.523 1.604 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.940 0.075 1.187 1.00 0.00 C ATOM 101 CD2 LEU A 7 9.202 2.435 0.878 1.00 0.00 C ATOM 0 H LEU A 7 12.374 2.636 4.067 1.00 0.00 H new ATOM 0 HA LEU A 7 9.767 3.727 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.635 0.835 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.976 1.358 3.370 1.00 0.00 H new ATOM 0 HG LEU A 7 11.187 1.852 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.055 -0.017 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.661 -0.573 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.930 -0.221 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.357 2.353 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.182 2.139 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.365 3.467 1.190 1.00 0.00 H new ATOM 113 N GLN A 8 10.771 2.224 6.068 1.00 0.00 N ATOM 114 CA GLN A 8 10.445 2.045 7.498 1.00 0.00 C ATOM 115 C GLN A 8 10.268 3.344 8.292 1.00 0.00 C ATOM 116 O GLN A 8 9.820 3.347 9.441 1.00 0.00 O ATOM 117 CB GLN A 8 11.350 1.000 8.181 1.00 0.00 C ATOM 118 CG GLN A 8 12.868 1.139 8.232 1.00 0.00 C ATOM 119 CD GLN A 8 13.716 -0.121 8.011 1.00 0.00 C ATOM 120 OE1 GLN A 8 14.767 -0.292 8.625 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.363 -1.000 7.089 1.00 0.00 N ATOM 0 H GLN A 8 11.621 1.738 5.782 1.00 0.00 H new ATOM 0 HA GLN A 8 9.440 1.623 7.508 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.009 0.920 9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.140 0.044 7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.161 1.874 7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.133 1.553 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.494 -0.874 6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.960 -1.805 6.897 1.00 0.00 H new ATOM 130 N HIS A 9 10.657 4.462 7.706 1.00 0.00 N ATOM 131 CA HIS A 9 10.776 5.747 8.351 1.00 0.00 C ATOM 132 C HIS A 9 9.961 6.810 7.589 1.00 0.00 C ATOM 133 O HIS A 9 10.144 7.999 7.851 1.00 0.00 O ATOM 134 CB HIS A 9 12.282 6.037 8.484 1.00 0.00 C ATOM 135 CG HIS A 9 12.996 5.302 9.607 1.00 0.00 C ATOM 136 ND1 HIS A 9 13.971 5.846 10.411 1.00 0.00 N ATOM 137 CD2 HIS A 9 12.880 3.984 9.968 1.00 0.00 C ATOM 138 CE1 HIS A 9 14.407 4.894 11.248 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.764 3.737 11.022 1.00 0.00 N ATOM 0 H HIS A 9 10.910 4.494 6.718 1.00 0.00 H new ATOM 0 HA HIS A 9 10.346 5.762 9.353 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.767 5.783 7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.416 7.109 8.633 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.218 3.260 9.515 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.169 5.038 11.999 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.894 2.856 11.519 1.00 0.00 H new ATOM 147 N HIS A 10 9.066 6.410 6.670 1.00 0.00 N ATOM 148 CA HIS A 10 8.300 7.305 5.806 1.00 0.00 C ATOM 149 C HIS A 10 6.855 6.820 5.604 1.00 0.00 C ATOM 150 O HIS A 10 6.607 5.704 5.137 1.00 0.00 O ATOM 151 CB HIS A 10 9.004 7.411 4.447 1.00 0.00 C ATOM 152 CG HIS A 10 10.258 8.253 4.473 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.308 9.616 4.666 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.545 7.812 4.304 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.598 9.980 4.628 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.393 8.922 4.398 1.00 0.00 N ATOM 0 H HIS A 10 8.854 5.425 6.508 1.00 0.00 H new ATOM 0 HA HIS A 10 8.251 8.281 6.290 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.258 6.409 4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.309 7.833 3.721 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.510 10.235 4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.850 6.791 4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 10 11.951 10.991 4.764 1.00 0.00 H new ATOM 164 N ARG A 11 5.880 7.690 5.886 1.00 0.00 N ATOM 165 CA ARG A 11 4.484 7.511 5.471 1.00 0.00 C ATOM 166 C ARG A 11 4.368 7.650 3.957 1.00 0.00 C ATOM 167 O ARG A 11 5.049 8.482 3.357 1.00 0.00 O ATOM 168 CB ARG A 11 3.636 8.593 6.153 1.00 0.00 C ATOM 169 CG ARG A 11 2.189 8.736 5.641 1.00 0.00 C ATOM 170 CD ARG A 11 1.607 10.006 6.255 1.00 0.00 C ATOM 171 NE ARG A 11 0.148 10.031 6.141 1.00 0.00 N ATOM 172 CZ ARG A 11 -0.597 11.133 6.161 1.00 0.00 C ATOM 173 NH1 ARG A 11 -0.117 12.295 5.751 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.819 11.087 6.660 1.00 0.00 N ATOM 0 H ARG A 11 6.039 8.548 6.415 1.00 0.00 H new ATOM 0 HA ARG A 11 4.135 6.519 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.604 8.382 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.140 9.552 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.172 8.794 4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.595 7.867 5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.893 10.069 7.305 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.028 10.879 5.757 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.333 9.137 6.039 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.842 12.359 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.706 13.127 5.775 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.187 10.210 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.395 11.929 6.678 1.00 0.00 H new ATOM 188 N PHE A 12 3.404 6.945 3.363 1.00 0.00 N ATOM 189 CA PHE A 12 2.915 7.197 2.018 1.00 0.00 C ATOM 190 C PHE A 12 1.380 7.287 2.034 1.00 0.00 C ATOM 191 O PHE A 12 0.730 6.904 3.005 1.00 0.00 O ATOM 192 CB PHE A 12 3.427 6.099 1.071 1.00 0.00 C ATOM 193 CG PHE A 12 4.891 6.217 0.676 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.918 5.948 1.606 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.232 6.566 -0.645 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.267 6.027 1.217 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.579 6.654 -1.030 1.00 0.00 C ATOM 198 CZ PHE A 12 7.596 6.373 -0.104 1.00 0.00 C ATOM 0 H PHE A 12 2.933 6.164 3.821 1.00 0.00 H new ATOM 0 HA PHE A 12 3.293 8.151 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.272 5.130 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.821 6.110 0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.667 5.680 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.453 6.767 -1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.049 5.822 1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.833 6.938 -2.040 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.631 6.423 -0.407 1.00 0.00 H new ATOM 208 N VAL A 13 0.775 7.771 0.949 1.00 0.00 N ATOM 209 CA VAL A 13 -0.685 7.847 0.783 1.00 0.00 C ATOM 210 C VAL A 13 -1.085 7.369 -0.608 1.00 0.00 C ATOM 211 O VAL A 13 -0.317 7.559 -1.555 1.00 0.00 O ATOM 212 CB VAL A 13 -1.212 9.264 1.089 1.00 0.00 C ATOM 213 CG1 VAL A 13 -0.695 10.289 0.070 1.00 0.00 C ATOM 214 CG2 VAL A 13 -2.749 9.321 1.125 1.00 0.00 C ATOM 0 H VAL A 13 1.290 8.128 0.145 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.153 7.180 1.507 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.833 9.517 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.086 11.276 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.394 10.313 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.026 10.007 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.070 10.339 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.147 9.015 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.120 8.649 1.899 1.00 0.00 H new ATOM 224 N LEU A 14 -2.264 6.745 -0.725 1.00 0.00 N ATOM 225 CA LEU A 14 -2.861 6.381 -2.002 1.00 0.00 C ATOM 226 C LEU A 14 -3.368 7.660 -2.660 1.00 0.00 C ATOM 227 O LEU A 14 -4.435 8.167 -2.321 1.00 0.00 O ATOM 228 CB LEU A 14 -4.013 5.373 -1.832 1.00 0.00 C ATOM 229 CG LEU A 14 -4.575 4.865 -3.174 1.00 0.00 C ATOM 230 CD1 LEU A 14 -3.505 4.137 -3.999 1.00 0.00 C ATOM 231 CD2 LEU A 14 -5.725 3.881 -2.925 1.00 0.00 C ATOM 0 H LEU A 14 -2.832 6.478 0.079 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.110 5.895 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.661 4.523 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.816 5.841 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.922 5.739 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.940 3.794 -4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.681 4.819 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.133 3.280 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.115 3.528 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.359 3.033 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.519 4.382 -2.372 1.00 0.00 H new ATOM 243 N GLU A 15 -2.569 8.208 -3.563 1.00 0.00 N ATOM 244 CA GLU A 15 -2.950 9.347 -4.383 1.00 0.00 C ATOM 245 C GLU A 15 -3.833 8.858 -5.536 1.00 0.00 C ATOM 246 O GLU A 15 -4.922 9.391 -5.751 1.00 0.00 O ATOM 247 CB GLU A 15 -1.664 10.019 -4.885 1.00 0.00 C ATOM 248 CG GLU A 15 -1.274 11.297 -4.131 1.00 0.00 C ATOM 249 CD GLU A 15 -2.182 12.515 -4.305 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.773 12.704 -5.391 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.184 13.365 -3.385 1.00 0.00 O ATOM 0 H GLU A 15 -1.625 7.869 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.526 10.078 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.844 9.305 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.784 10.259 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.226 11.061 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.268 11.579 -4.441 1.00 0.00 H new ATOM 258 N SER A 16 -3.400 7.830 -6.279 1.00 0.00 N ATOM 259 CA SER A 16 -4.155 7.363 -7.433 1.00 0.00 C ATOM 260 C SER A 16 -4.013 5.854 -7.658 1.00 0.00 C ATOM 261 O SER A 16 -3.166 5.176 -7.066 1.00 0.00 O ATOM 262 CB SER A 16 -3.779 8.226 -8.648 1.00 0.00 C ATOM 263 OG SER A 16 -2.394 8.171 -8.932 1.00 0.00 O ATOM 0 H SER A 16 -2.538 7.315 -6.098 1.00 0.00 H new ATOM 0 HA SER A 16 -5.222 7.491 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.341 7.889 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.070 9.260 -8.462 1.00 0.00 H new ATOM 0 HG SER A 16 -2.197 8.731 -9.712 1.00 0.00 H new ATOM 269 N VAL A 17 -4.907 5.328 -8.495 1.00 0.00 N ATOM 270 CA VAL A 17 -5.224 3.913 -8.668 1.00 0.00 C ATOM 271 C VAL A 17 -5.240 3.633 -10.181 1.00 0.00 C ATOM 272 O VAL A 17 -5.405 4.563 -10.972 1.00 0.00 O ATOM 273 CB VAL A 17 -6.604 3.650 -8.005 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.962 2.174 -7.861 1.00 0.00 C ATOM 275 CG2 VAL A 17 -6.765 4.330 -6.631 1.00 0.00 C ATOM 0 H VAL A 17 -5.465 5.920 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.495 3.252 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.299 4.102 -8.712 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.940 2.081 -7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.989 1.708 -8.846 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.213 1.676 -7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.752 4.104 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.000 3.959 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.658 5.409 -6.744 1.00 0.00 H new ATOM 285 N ASN A 18 -5.141 2.373 -10.610 1.00 0.00 N ATOM 286 CA ASN A 18 -5.089 1.983 -12.024 1.00 0.00 C ATOM 287 C ASN A 18 -6.280 2.481 -12.834 1.00 0.00 C ATOM 288 O ASN A 18 -6.139 2.773 -14.019 1.00 0.00 O ATOM 289 CB ASN A 18 -5.080 0.454 -12.119 1.00 0.00 C ATOM 290 CG ASN A 18 -5.118 -0.091 -13.538 1.00 0.00 C ATOM 291 OD1 ASN A 18 -4.391 0.362 -14.419 1.00 0.00 O ATOM 292 ND2 ASN A 18 -5.932 -1.101 -13.778 1.00 0.00 N ATOM 0 H ASN A 18 -5.094 1.578 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.186 2.434 -12.436 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.186 0.077 -11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.937 0.064 -11.571 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.965 -1.519 -14.708 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.528 -1.464 -13.034 1.00 0.00 H new ATOM 299 N GLY A 19 -7.458 2.491 -12.207 1.00 0.00 N ATOM 300 CA GLY A 19 -8.709 2.682 -12.918 1.00 0.00 C ATOM 301 C GLY A 19 -9.183 4.127 -12.955 1.00 0.00 C ATOM 302 O GLY A 19 -9.903 4.485 -13.881 1.00 0.00 O ATOM 0 H GLY A 19 -7.564 2.367 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.593 2.322 -13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.479 2.069 -12.449 1.00 0.00 H new ATOM 306 N LYS A 20 -8.885 4.910 -11.917 1.00 0.00 N ATOM 307 CA LYS A 20 -9.269 6.308 -11.704 1.00 0.00 C ATOM 308 C LYS A 20 -8.794 6.694 -10.302 1.00 0.00 C ATOM 309 O LYS A 20 -8.676 5.795 -9.470 1.00 0.00 O ATOM 310 CB LYS A 20 -10.787 6.525 -11.849 1.00 0.00 C ATOM 311 CG LYS A 20 -11.667 5.579 -11.009 1.00 0.00 C ATOM 312 CD LYS A 20 -12.704 4.844 -11.873 1.00 0.00 C ATOM 313 CE LYS A 20 -13.737 4.108 -11.011 1.00 0.00 C ATOM 314 NZ LYS A 20 -14.555 3.181 -11.816 1.00 0.00 N ATOM 0 H LYS A 20 -8.325 4.556 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.806 6.937 -12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.019 7.553 -11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.056 6.409 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.035 4.850 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.179 6.151 -10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.212 5.559 -12.520 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.197 4.131 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.226 3.553 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.385 4.834 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.242 2.701 -11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.062 3.714 -12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.938 2.474 -12.264 1.00 0.00 H new ATOM 328 N PRO A 21 -8.537 7.971 -9.992 1.00 0.00 N ATOM 329 CA PRO A 21 -8.067 8.353 -8.670 1.00 0.00 C ATOM 330 C PRO A 21 -9.184 8.218 -7.619 1.00 0.00 C ATOM 331 O PRO A 21 -10.321 7.849 -7.926 1.00 0.00 O ATOM 332 CB PRO A 21 -7.529 9.772 -8.853 1.00 0.00 C ATOM 333 CG PRO A 21 -8.370 10.341 -9.994 1.00 0.00 C ATOM 334 CD PRO A 21 -8.589 9.119 -10.882 1.00 0.00 C ATOM 0 HA PRO A 21 -7.283 7.703 -8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.640 10.361 -7.943 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.468 9.768 -9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.312 10.757 -9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.850 11.139 -10.523 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.550 9.174 -11.394 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.821 9.052 -11.652 1.00 0.00 H new ATOM 342 N VAL A 22 -8.865 8.486 -6.353 1.00 0.00 N ATOM 343 CA VAL A 22 -9.736 8.274 -5.196 1.00 0.00 C ATOM 344 C VAL A 22 -9.765 9.565 -4.365 1.00 0.00 C ATOM 345 O VAL A 22 -8.947 10.461 -4.589 1.00 0.00 O ATOM 346 CB VAL A 22 -9.248 7.009 -4.443 1.00 0.00 C ATOM 347 CG1 VAL A 22 -7.769 7.080 -4.024 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.116 6.636 -3.229 1.00 0.00 C ATOM 0 H VAL A 22 -7.957 8.872 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.772 8.076 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.353 6.215 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.494 6.163 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.145 7.194 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.619 7.933 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.712 5.742 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.114 7.459 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.137 6.443 -3.557 1.00 0.00 H new ATOM 358 N THR A 23 -10.724 9.701 -3.451 1.00 0.00 N ATOM 359 CA THR A 23 -10.826 10.806 -2.511 1.00 0.00 C ATOM 360 C THR A 23 -11.425 10.243 -1.216 1.00 0.00 C ATOM 361 O THR A 23 -12.441 9.543 -1.263 1.00 0.00 O ATOM 362 CB THR A 23 -11.699 11.936 -3.101 1.00 0.00 C ATOM 363 OG1 THR A 23 -12.636 11.462 -4.054 1.00 0.00 O ATOM 364 CG2 THR A 23 -10.876 13.012 -3.818 1.00 0.00 C ATOM 0 H THR A 23 -11.475 9.019 -3.344 1.00 0.00 H new ATOM 0 HA THR A 23 -9.848 11.243 -2.308 1.00 0.00 H new ATOM 0 HB THR A 23 -12.206 12.353 -2.231 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.164 12.214 -4.395 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.543 13.779 -4.211 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.178 13.465 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.321 12.558 -4.639 1.00 0.00 H new ATOM 372 N SER A 24 -10.795 10.515 -0.079 1.00 0.00 N ATOM 373 CA SER A 24 -11.293 10.233 1.256 1.00 0.00 C ATOM 374 C SER A 24 -10.637 11.288 2.137 1.00 0.00 C ATOM 375 O SER A 24 -9.586 11.059 2.729 1.00 0.00 O ATOM 376 CB SER A 24 -10.929 8.814 1.724 1.00 0.00 C ATOM 377 OG SER A 24 -11.985 7.881 1.605 1.00 0.00 O ATOM 0 H SER A 24 -9.877 10.960 -0.066 1.00 0.00 H new ATOM 0 HA SER A 24 -12.382 10.272 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.077 8.459 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.611 8.856 2.766 1.00 0.00 H new ATOM 0 HG SER A 24 -11.683 7.003 1.918 1.00 0.00 H new ATOM 383 N ASP A 25 -11.247 12.468 2.208 1.00 0.00 N ATOM 384 CA ASP A 25 -10.814 13.559 3.075 1.00 0.00 C ATOM 385 C ASP A 25 -10.650 13.041 4.503 1.00 0.00 C ATOM 386 O ASP A 25 -9.712 13.415 5.208 1.00 0.00 O ATOM 387 CB ASP A 25 -11.859 14.686 3.107 1.00 0.00 C ATOM 388 CG ASP A 25 -12.188 15.343 1.770 1.00 0.00 C ATOM 389 OD1 ASP A 25 -12.472 14.636 0.784 1.00 0.00 O ATOM 390 OD2 ASP A 25 -12.330 16.588 1.761 1.00 0.00 O ATOM 0 H ASP A 25 -12.072 12.697 1.654 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.872 13.942 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.781 14.285 3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.507 15.459 3.790 1.00 0.00 H new ATOM 395 N LYS A 26 -11.582 12.189 4.935 1.00 0.00 N ATOM 396 CA LYS A 26 -11.605 11.543 6.232 1.00 0.00 C ATOM 397 C LYS A 26 -10.880 10.198 6.129 1.00 0.00 C ATOM 398 O LYS A 26 -11.401 9.237 5.561 1.00 0.00 O ATOM 399 CB LYS A 26 -13.058 11.476 6.746 1.00 0.00 C ATOM 400 CG LYS A 26 -14.039 10.665 5.878 1.00 0.00 C ATOM 401 CD LYS A 26 -14.385 9.288 6.460 1.00 0.00 C ATOM 402 CE LYS A 26 -15.828 9.257 6.975 1.00 0.00 C ATOM 403 NZ LYS A 26 -16.147 7.978 7.632 1.00 0.00 N ATOM 0 H LYS A 26 -12.377 11.923 4.354 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.063 12.113 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.050 11.048 7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -13.439 12.493 6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.958 11.238 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.608 10.532 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.251 8.522 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.699 9.050 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.980 10.075 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.514 9.420 6.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -17.131 7.996 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.026 7.199 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.509 7.834 8.441 1.00 0.00 H new ATOM 417 N ASN A 27 -9.680 10.152 6.710 1.00 0.00 N ATOM 418 CA ASN A 27 -8.824 8.976 6.891 1.00 0.00 C ATOM 419 C ASN A 27 -8.685 8.157 5.598 1.00 0.00 C ATOM 420 O ASN A 27 -9.266 7.073 5.502 1.00 0.00 O ATOM 421 CB ASN A 27 -9.321 8.098 8.057 1.00 0.00 C ATOM 422 CG ASN A 27 -9.162 8.750 9.420 1.00 0.00 C ATOM 423 OD1 ASN A 27 -8.051 9.071 9.831 1.00 0.00 O ATOM 424 ND2 ASN A 27 -10.237 8.928 10.172 1.00 0.00 N ATOM 0 H ASN A 27 -9.250 10.994 7.094 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.829 9.342 7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.373 7.859 7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.775 7.155 8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.147 9.335 11.103 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.156 8.658 9.821 1.00 0.00 H new ATOM 431 N PRO A 28 -7.925 8.642 4.603 1.00 0.00 N ATOM 432 CA PRO A 28 -7.791 7.975 3.313 1.00 0.00 C ATOM 433 C PRO A 28 -7.064 6.628 3.418 1.00 0.00 C ATOM 434 O PRO A 28 -6.467 6.323 4.463 1.00 0.00 O ATOM 435 CB PRO A 28 -7.032 8.961 2.411 1.00 0.00 C ATOM 436 CG PRO A 28 -6.252 9.814 3.399 1.00 0.00 C ATOM 437 CD PRO A 28 -7.153 9.873 4.628 1.00 0.00 C ATOM 0 HA PRO A 28 -8.771 7.728 2.904 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.370 8.443 1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.714 9.563 1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.285 9.369 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.056 10.809 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.565 9.949 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.805 10.746 4.595 1.00 0.00 H new ATOM 445 N PRO A 29 -7.053 5.840 2.323 1.00 0.00 N ATOM 446 CA PRO A 29 -6.289 4.599 2.224 1.00 0.00 C ATOM 447 C PRO A 29 -4.778 4.870 2.128 1.00 0.00 C ATOM 448 O PRO A 29 -4.104 4.520 1.159 1.00 0.00 O ATOM 449 CB PRO A 29 -6.861 3.893 0.986 1.00 0.00 C ATOM 450 CG PRO A 29 -7.452 5.003 0.130 1.00 0.00 C ATOM 451 CD PRO A 29 -7.902 6.026 1.148 1.00 0.00 C ATOM 0 HA PRO A 29 -6.385 3.972 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.083 3.352 0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.622 3.164 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.714 5.417 -0.557 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.285 4.644 -0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.802 7.037 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.953 5.885 1.402 1.00 0.00 H new ATOM 459 N GLU A 30 -4.204 5.453 3.170 1.00 0.00 N ATOM 460 CA GLU A 30 -2.778 5.677 3.306 1.00 0.00 C ATOM 461 C GLU A 30 -2.092 4.396 3.803 1.00 0.00 C ATOM 462 O GLU A 30 -2.755 3.460 4.273 1.00 0.00 O ATOM 463 CB GLU A 30 -2.555 6.898 4.212 1.00 0.00 C ATOM 464 CG GLU A 30 -2.997 6.655 5.657 1.00 0.00 C ATOM 465 CD GLU A 30 -2.974 7.921 6.507 1.00 0.00 C ATOM 466 OE1 GLU A 30 -3.392 9.000 6.039 1.00 0.00 O ATOM 467 OE2 GLU A 30 -2.481 7.876 7.660 1.00 0.00 O ATOM 0 H GLU A 30 -4.739 5.793 3.969 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.318 5.905 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.498 7.165 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.103 7.749 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.005 6.241 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.345 5.908 6.110 1.00 0.00 H new ATOM 474 N ILE A 31 -0.760 4.362 3.710 1.00 0.00 N ATOM 475 CA ILE A 31 0.050 3.230 4.132 1.00 0.00 C ATOM 476 C ILE A 31 1.295 3.784 4.824 1.00 0.00 C ATOM 477 O ILE A 31 1.902 4.750 4.359 1.00 0.00 O ATOM 478 CB ILE A 31 0.336 2.306 2.917 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.726 0.896 3.395 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.394 2.864 1.943 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.854 -0.106 2.245 1.00 0.00 C ATOM 0 H ILE A 31 -0.211 5.135 3.333 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.464 2.595 4.853 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.593 2.256 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.673 0.948 3.932 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.022 0.537 4.102 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.538 2.162 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.055 3.821 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.337 3.003 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.131 -1.083 2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.099 -0.184 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.622 0.234 1.550 1.00 0.00 H new ATOM 493 N SER A 32 1.708 3.182 5.927 1.00 0.00 N ATOM 494 CA SER A 32 2.901 3.546 6.657 1.00 0.00 C ATOM 495 C SER A 32 3.754 2.287 6.754 1.00 0.00 C ATOM 496 O SER A 32 3.306 1.235 7.211 1.00 0.00 O ATOM 497 CB SER A 32 2.516 4.196 7.991 1.00 0.00 C ATOM 498 OG SER A 32 1.630 3.383 8.739 1.00 0.00 O ATOM 0 H SER A 32 1.203 2.402 6.349 1.00 0.00 H new ATOM 0 HA SER A 32 3.502 4.307 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.416 4.385 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.050 5.163 7.802 1.00 0.00 H new ATOM 0 HG SER A 32 1.844 2.439 8.585 1.00 0.00 H new ATOM 504 N PHE A 33 4.967 2.365 6.225 1.00 0.00 N ATOM 505 CA PHE A 33 5.956 1.319 6.384 1.00 0.00 C ATOM 506 C PHE A 33 6.671 1.644 7.704 1.00 0.00 C ATOM 507 O PHE A 33 6.911 2.819 7.995 1.00 0.00 O ATOM 508 CB PHE A 33 6.837 1.325 5.122 1.00 0.00 C ATOM 509 CG PHE A 33 6.141 0.810 3.865 1.00 0.00 C ATOM 510 CD1 PHE A 33 5.326 1.704 3.143 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.284 -0.523 3.404 1.00 0.00 C ATOM 512 CE1 PHE A 33 4.629 1.273 2.003 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.601 -0.936 2.240 1.00 0.00 C ATOM 514 CZ PHE A 33 4.749 -0.048 1.556 1.00 0.00 C ATOM 0 H PHE A 33 5.290 3.160 5.673 1.00 0.00 H new ATOM 0 HA PHE A 33 5.571 0.302 6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.183 2.342 4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.722 0.716 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.237 2.730 3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.912 -1.219 3.941 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.996 1.965 1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.733 -1.942 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.192 -0.383 0.693 1.00 0.00 H new ATOM 524 N GLY A 34 6.950 0.653 8.554 1.00 0.00 N ATOM 525 CA GLY A 34 7.653 0.848 9.816 1.00 0.00 C ATOM 526 C GLY A 34 8.307 -0.446 10.271 1.00 0.00 C ATOM 527 O GLY A 34 7.901 -1.512 9.813 1.00 0.00 O ATOM 0 H GLY A 34 6.689 -0.318 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.410 1.623 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.955 1.196 10.577 1.00 0.00 H new ATOM 531 N GLU A 35 9.251 -0.390 11.217 1.00 0.00 N ATOM 532 CA GLU A 35 9.858 -1.583 11.779 1.00 0.00 C ATOM 533 C GLU A 35 10.630 -2.352 10.701 1.00 0.00 C ATOM 534 O GLU A 35 11.138 -1.731 9.768 1.00 0.00 O ATOM 535 CB GLU A 35 8.846 -2.403 12.590 1.00 0.00 C ATOM 536 CG GLU A 35 9.555 -2.963 13.824 1.00 0.00 C ATOM 537 CD GLU A 35 8.830 -4.135 14.483 1.00 0.00 C ATOM 538 OE1 GLU A 35 7.618 -4.348 14.244 1.00 0.00 O ATOM 539 OE2 GLU A 35 9.516 -4.923 15.170 1.00 0.00 O ATOM 0 H GLU A 35 9.608 0.482 11.607 1.00 0.00 H new ATOM 0 HA GLU A 35 10.611 -1.302 12.516 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.004 -1.778 12.888 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.443 -3.214 11.984 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.557 -3.284 13.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.672 -2.164 14.556 1.00 0.00 H new ATOM 546 N LYS A 36 10.943 -3.633 10.923 1.00 0.00 N ATOM 547 CA LYS A 36 11.719 -4.510 10.056 1.00 0.00 C ATOM 548 C LYS A 36 11.065 -4.656 8.670 1.00 0.00 C ATOM 549 O LYS A 36 10.511 -5.707 8.338 1.00 0.00 O ATOM 550 CB LYS A 36 11.946 -5.876 10.742 1.00 0.00 C ATOM 551 CG LYS A 36 12.527 -5.802 12.172 1.00 0.00 C ATOM 552 CD LYS A 36 11.617 -6.454 13.229 1.00 0.00 C ATOM 553 CE LYS A 36 11.780 -7.979 13.239 1.00 0.00 C ATOM 554 NZ LYS A 36 10.844 -8.647 14.168 1.00 0.00 N ATOM 0 H LYS A 36 10.638 -4.111 11.771 1.00 0.00 H new ATOM 0 HA LYS A 36 12.696 -4.056 9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.996 -6.409 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.619 -6.469 10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.501 -6.292 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.691 -4.758 12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.856 -6.054 14.214 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.577 -6.198 13.025 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.622 -8.364 12.231 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.803 -8.229 13.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.997 -9.675 14.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.010 -8.303 15.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.865 -8.434 13.888 1.00 0.00 H new ATOM 568 N MET A 37 11.115 -3.606 7.854 1.00 0.00 N ATOM 569 CA MET A 37 10.413 -3.410 6.606 1.00 0.00 C ATOM 570 C MET A 37 8.900 -3.657 6.655 1.00 0.00 C ATOM 571 O MET A 37 8.259 -3.861 5.623 1.00 0.00 O ATOM 572 CB MET A 37 11.141 -4.052 5.437 1.00 0.00 C ATOM 573 CG MET A 37 10.754 -5.452 4.983 1.00 0.00 C ATOM 574 SD MET A 37 10.760 -5.576 3.183 1.00 0.00 S ATOM 575 CE MET A 37 9.613 -4.254 2.663 1.00 0.00 C ATOM 0 H MET A 37 11.703 -2.803 8.078 1.00 0.00 H new ATOM 0 HA MET A 37 10.445 -2.337 6.418 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.028 -3.389 4.579 1.00 0.00 H new ATOM 0 HB3 MET A 37 12.202 -4.072 5.686 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.449 -6.179 5.403 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.764 -5.701 5.364 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.875 -4.663 1.974 1.00 0.00 H new ATOM 0 HE2 MET A 37 9.106 -3.847 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.173 -3.461 2.166 1.00 0.00 H new ATOM 585 N MET A 38 8.298 -3.636 7.838 1.00 0.00 N ATOM 586 CA MET A 38 6.903 -3.963 8.013 1.00 0.00 C ATOM 587 C MET A 38 6.014 -2.912 7.353 1.00 0.00 C ATOM 588 O MET A 38 6.454 -1.813 7.012 1.00 0.00 O ATOM 589 CB MET A 38 6.589 -4.097 9.505 1.00 0.00 C ATOM 590 CG MET A 38 5.871 -5.416 9.772 1.00 0.00 C ATOM 591 SD MET A 38 4.679 -5.352 11.120 1.00 0.00 S ATOM 592 CE MET A 38 3.363 -4.449 10.270 1.00 0.00 C ATOM 0 H MET A 38 8.775 -3.389 8.705 1.00 0.00 H new ATOM 0 HA MET A 38 6.697 -4.917 7.527 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.511 -4.052 10.084 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.967 -3.263 9.830 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.357 -5.727 8.863 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.614 -6.182 9.996 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.537 -4.276 10.959 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.748 -3.492 9.917 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.010 -5.034 9.421 1.00 0.00 H new ATOM 602 N ILE A 39 4.743 -3.258 7.188 1.00 0.00 N ATOM 603 CA ILE A 39 3.779 -2.510 6.401 1.00 0.00 C ATOM 604 C ILE A 39 2.510 -2.447 7.250 1.00 0.00 C ATOM 605 O ILE A 39 2.032 -3.506 7.664 1.00 0.00 O ATOM 606 CB ILE A 39 3.500 -3.246 5.065 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.701 -3.914 4.360 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.824 -2.276 4.089 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.230 -4.912 3.294 1.00 0.00 C ATOM 0 H ILE A 39 4.345 -4.095 7.614 1.00 0.00 H new ATOM 0 HA ILE A 39 4.143 -1.513 6.153 1.00 0.00 H new ATOM 0 HB ILE A 39 2.861 -4.081 5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.326 -3.150 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.319 -4.428 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.625 -2.787 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.885 -1.925 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.481 -1.425 3.908 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.096 -5.367 2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.626 -5.688 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.633 -4.391 2.546 1.00 0.00 H new ATOM 621 N SER A 40 1.959 -1.261 7.500 1.00 0.00 N ATOM 622 CA SER A 40 0.638 -1.069 8.094 1.00 0.00 C ATOM 623 C SER A 40 -0.131 -0.078 7.216 1.00 0.00 C ATOM 624 O SER A 40 0.475 0.771 6.570 1.00 0.00 O ATOM 625 CB SER A 40 0.774 -0.542 9.530 1.00 0.00 C ATOM 626 OG SER A 40 1.728 -1.293 10.267 1.00 0.00 O ATOM 0 H SER A 40 2.433 -0.383 7.289 1.00 0.00 H new ATOM 0 HA SER A 40 0.098 -2.015 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.071 0.506 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.193 -0.589 10.030 1.00 0.00 H new ATOM 0 HG SER A 40 1.795 -0.934 11.176 1.00 0.00 H new ATOM 632 N GLY A 41 -1.457 -0.151 7.169 1.00 0.00 N ATOM 633 CA GLY A 41 -2.269 0.723 6.338 1.00 0.00 C ATOM 634 C GLY A 41 -3.731 0.353 6.488 1.00 0.00 C ATOM 635 O GLY A 41 -4.068 -0.655 7.121 1.00 0.00 O ATOM 0 H GLY A 41 -2.000 -0.824 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.115 1.763 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.966 0.634 5.295 1.00 0.00 H new ATOM 639 N SER A 42 -4.616 1.141 5.887 1.00 0.00 N ATOM 640 CA SER A 42 -6.036 0.858 5.980 1.00 0.00 C ATOM 641 C SER A 42 -6.762 1.279 4.715 1.00 0.00 C ATOM 642 O SER A 42 -7.372 2.343 4.672 1.00 0.00 O ATOM 643 CB SER A 42 -6.615 1.390 7.307 1.00 0.00 C ATOM 644 OG SER A 42 -5.936 2.505 7.850 1.00 0.00 O ATOM 0 H SER A 42 -4.377 1.967 5.339 1.00 0.00 H new ATOM 0 HA SER A 42 -6.201 -0.218 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.659 1.661 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.603 0.584 8.040 1.00 0.00 H new ATOM 0 HG SER A 42 -6.369 2.776 8.686 1.00 0.00 H new ATOM 650 N MET A 43 -6.736 0.391 3.709 1.00 0.00 N ATOM 651 CA MET A 43 -7.556 0.505 2.508 1.00 0.00 C ATOM 652 C MET A 43 -8.993 0.802 2.915 1.00 0.00 C ATOM 653 O MET A 43 -9.581 1.793 2.485 1.00 0.00 O ATOM 654 CB MET A 43 -7.507 -0.781 1.660 1.00 0.00 C ATOM 655 CG MET A 43 -6.337 -0.815 0.679 1.00 0.00 C ATOM 656 SD MET A 43 -6.365 0.506 -0.556 1.00 0.00 S ATOM 657 CE MET A 43 -5.211 -0.223 -1.742 1.00 0.00 C ATOM 0 H MET A 43 -6.136 -0.434 3.713 1.00 0.00 H new ATOM 0 HA MET A 43 -7.161 1.316 1.897 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.440 -1.643 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.440 -0.877 1.105 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.405 -0.752 1.241 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.336 -1.777 0.166 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.493 0.532 -2.062 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.682 -1.052 -1.272 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.762 -0.589 -2.608 1.00 0.00 H new ATOM 667 N CYS A 44 -9.547 -0.066 3.757 1.00 0.00 N ATOM 668 CA CYS A 44 -10.863 0.062 4.334 1.00 0.00 C ATOM 669 C CYS A 44 -11.023 -0.863 5.550 1.00 0.00 C ATOM 670 O CYS A 44 -11.813 -0.594 6.449 1.00 0.00 O ATOM 671 CB CYS A 44 -11.866 -0.354 3.287 1.00 0.00 C ATOM 672 SG CYS A 44 -11.651 -1.977 2.537 1.00 0.00 S ATOM 0 H CYS A 44 -9.063 -0.910 4.063 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.016 1.092 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.858 -0.319 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.851 0.390 2.491 1.00 0.00 H new ATOM 677 N ASN A 45 -10.285 -1.979 5.589 1.00 0.00 N ATOM 678 CA ASN A 45 -10.471 -3.113 6.506 1.00 0.00 C ATOM 679 C ASN A 45 -9.231 -3.382 7.348 1.00 0.00 C ATOM 680 O ASN A 45 -9.059 -4.469 7.894 1.00 0.00 O ATOM 681 CB ASN A 45 -10.863 -4.340 5.663 1.00 0.00 C ATOM 682 CG ASN A 45 -12.358 -4.624 5.682 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.791 -5.755 5.536 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.194 -3.621 5.879 1.00 0.00 N ATOM 0 H ASN A 45 -9.503 -2.124 4.951 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.262 -2.880 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.542 -4.183 4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.328 -5.214 6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.199 -3.793 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.835 -2.674 6.001 1.00 0.00 H new ATOM 691 N ARG A 46 -8.368 -2.378 7.462 1.00 0.00 N ATOM 692 CA ARG A 46 -6.942 -2.475 7.745 1.00 0.00 C ATOM 693 C ARG A 46 -6.260 -3.507 6.853 1.00 0.00 C ATOM 694 O ARG A 46 -6.887 -4.291 6.148 1.00 0.00 O ATOM 695 CB ARG A 46 -6.704 -2.746 9.233 1.00 0.00 C ATOM 696 CG ARG A 46 -7.126 -1.565 10.109 1.00 0.00 C ATOM 697 CD ARG A 46 -6.355 -1.438 11.426 1.00 0.00 C ATOM 698 NE ARG A 46 -6.371 -2.644 12.267 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.585 -2.836 13.333 1.00 0.00 C ATOM 700 NH1 ARG A 46 -4.630 -1.968 13.656 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.754 -3.916 14.083 1.00 0.00 N ATOM 0 H ARG A 46 -8.668 -1.409 7.351 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.483 -1.515 7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.259 -3.635 9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.648 -2.959 9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.000 -0.644 9.539 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.189 -1.658 10.333 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.320 -1.182 11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.772 -0.608 11.997 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.027 -3.386 12.021 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.484 -1.135 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.043 -2.136 14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.479 -4.593 13.846 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.159 -4.070 14.897 1.00 0.00 H new ATOM 715 N PHE A 47 -4.944 -3.453 6.864 1.00 0.00 N ATOM 716 CA PHE A 47 -4.066 -4.484 6.344 1.00 0.00 C ATOM 717 C PHE A 47 -2.694 -4.191 6.908 1.00 0.00 C ATOM 718 O PHE A 47 -2.321 -3.035 7.134 1.00 0.00 O ATOM 719 CB PHE A 47 -4.054 -4.545 4.801 1.00 0.00 C ATOM 720 CG PHE A 47 -3.495 -3.360 4.035 1.00 0.00 C ATOM 721 CD1 PHE A 47 -4.155 -2.114 4.063 1.00 0.00 C ATOM 722 CD2 PHE A 47 -2.364 -3.524 3.217 1.00 0.00 C ATOM 723 CE1 PHE A 47 -3.657 -1.029 3.319 1.00 0.00 C ATOM 724 CE2 PHE A 47 -1.902 -2.450 2.435 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.539 -1.203 2.494 1.00 0.00 C ATOM 0 H PHE A 47 -4.435 -2.658 7.251 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.419 -5.469 6.649 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.485 -5.427 4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.080 -4.702 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.048 -1.992 4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.850 -4.474 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.136 -0.063 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.051 -2.587 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.168 -0.378 1.904 1.00 0.00 H new ATOM 735 N SER A 48 -1.940 -5.243 7.135 1.00 0.00 N ATOM 736 CA SER A 48 -0.598 -5.161 7.662 1.00 0.00 C ATOM 737 C SER A 48 0.098 -6.475 7.335 1.00 0.00 C ATOM 738 O SER A 48 -0.596 -7.490 7.245 1.00 0.00 O ATOM 739 CB SER A 48 -0.661 -4.907 9.175 1.00 0.00 C ATOM 740 OG SER A 48 -1.769 -5.516 9.834 1.00 0.00 O ATOM 0 H SER A 48 -2.249 -6.198 6.955 1.00 0.00 H new ATOM 0 HA SER A 48 -0.038 -4.337 7.219 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.260 -5.271 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.699 -3.832 9.348 1.00 0.00 H new ATOM 0 HG SER A 48 -1.735 -5.308 10.791 1.00 0.00 H new ATOM 746 N GLY A 49 1.424 -6.518 7.173 1.00 0.00 N ATOM 747 CA GLY A 49 2.138 -7.776 7.164 1.00 0.00 C ATOM 748 C GLY A 49 3.623 -7.433 7.150 1.00 0.00 C ATOM 749 O GLY A 49 3.995 -6.294 6.847 1.00 0.00 O ATOM 0 H GLY A 49 2.013 -5.695 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.886 -8.371 8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.869 -8.368 6.289 1.00 0.00 H new ATOM 753 N GLU A 50 4.479 -8.395 7.484 1.00 0.00 N ATOM 754 CA GLU A 50 5.918 -8.243 7.348 1.00 0.00 C ATOM 755 C GLU A 50 6.231 -8.091 5.868 1.00 0.00 C ATOM 756 O GLU A 50 5.957 -9.019 5.095 1.00 0.00 O ATOM 757 CB GLU A 50 6.631 -9.469 7.926 1.00 0.00 C ATOM 758 CG GLU A 50 6.693 -9.395 9.452 1.00 0.00 C ATOM 759 CD GLU A 50 7.068 -10.756 10.034 1.00 0.00 C ATOM 760 OE1 GLU A 50 6.158 -11.609 10.162 1.00 0.00 O ATOM 761 OE2 GLU A 50 8.253 -10.966 10.356 1.00 0.00 O ATOM 0 H GLU A 50 4.191 -9.300 7.856 1.00 0.00 H new ATOM 0 HA GLU A 50 6.265 -7.366 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.107 -10.376 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.640 -9.533 7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.425 -8.647 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.728 -9.076 9.847 1.00 0.00 H new ATOM 768 N GLY A 51 6.753 -6.930 5.472 1.00 0.00 N ATOM 769 CA GLY A 51 7.193 -6.733 4.103 1.00 0.00 C ATOM 770 C GLY A 51 8.319 -7.682 3.684 1.00 0.00 C ATOM 771 O GLY A 51 9.020 -8.256 4.531 1.00 0.00 O ATOM 0 H GLY A 51 6.878 -6.121 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.344 -6.870 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.531 -5.704 3.982 1.00 0.00 H new ATOM 775 N LYS A 52 8.526 -7.846 2.372 1.00 0.00 N ATOM 776 CA LYS A 52 9.732 -8.470 1.826 1.00 0.00 C ATOM 777 C LYS A 52 10.261 -7.620 0.681 1.00 0.00 C ATOM 778 O LYS A 52 9.470 -7.140 -0.131 1.00 0.00 O ATOM 779 CB LYS A 52 9.483 -9.932 1.422 1.00 0.00 C ATOM 780 CG LYS A 52 10.831 -10.662 1.279 1.00 0.00 C ATOM 781 CD LYS A 52 10.729 -12.191 1.361 1.00 0.00 C ATOM 782 CE LYS A 52 10.237 -12.792 0.043 1.00 0.00 C ATOM 783 NZ LYS A 52 9.925 -14.229 0.170 1.00 0.00 N ATOM 0 H LYS A 52 7.859 -7.548 1.660 1.00 0.00 H new ATOM 0 HA LYS A 52 10.500 -8.511 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.867 -10.428 2.172 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.934 -9.972 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.280 -10.390 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.506 -10.312 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.704 -12.609 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.048 -12.469 2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.348 -12.256 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.998 -12.653 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.595 -14.595 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.779 -14.745 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.180 -14.361 0.884 1.00 0.00 H new ATOM 797 N LEU A 53 11.577 -7.396 0.648 1.00 0.00 N ATOM 798 CA LEU A 53 12.221 -6.543 -0.336 1.00 0.00 C ATOM 799 C LEU A 53 13.706 -6.869 -0.411 1.00 0.00 C ATOM 800 O LEU A 53 14.519 -6.312 0.327 1.00 0.00 O ATOM 801 CB LEU A 53 12.007 -5.059 0.002 1.00 0.00 C ATOM 802 CG LEU A 53 12.680 -4.088 -0.987 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.519 -4.477 -2.465 1.00 0.00 C ATOM 804 CD2 LEU A 53 12.095 -2.699 -0.745 1.00 0.00 C ATOM 0 H LEU A 53 12.228 -7.810 1.315 1.00 0.00 H new ATOM 0 HA LEU A 53 11.770 -6.732 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.937 -4.853 0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.391 -4.866 1.003 1.00 0.00 H new ATOM 0 HG LEU A 53 13.753 -4.119 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.022 -3.741 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.961 -5.459 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.460 -4.507 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.553 -1.987 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.018 -2.724 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.296 -2.393 0.282 1.00 0.00 H new ATOM 816 N SER A 54 14.068 -7.746 -1.337 1.00 0.00 N ATOM 817 CA SER A 54 15.452 -8.001 -1.712 1.00 0.00 C ATOM 818 C SER A 54 15.600 -8.105 -3.237 1.00 0.00 C ATOM 819 O SER A 54 16.719 -8.026 -3.738 1.00 0.00 O ATOM 820 CB SER A 54 15.912 -9.259 -0.962 1.00 0.00 C ATOM 821 OG SER A 54 17.316 -9.306 -0.790 1.00 0.00 O ATOM 0 H SER A 54 13.396 -8.310 -1.858 1.00 0.00 H new ATOM 0 HA SER A 54 16.098 -7.171 -1.424 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.429 -9.293 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.587 -10.144 -1.510 1.00 0.00 H new ATOM 0 HG SER A 54 17.559 -10.123 -0.307 1.00 0.00 H new ATOM 827 N ASN A 55 14.481 -8.212 -3.969 1.00 0.00 N ATOM 828 CA ASN A 55 14.387 -8.487 -5.403 1.00 0.00 C ATOM 829 C ASN A 55 13.334 -7.565 -6.047 1.00 0.00 C ATOM 830 O ASN A 55 12.674 -7.938 -7.013 1.00 0.00 O ATOM 831 CB ASN A 55 14.010 -9.969 -5.569 1.00 0.00 C ATOM 832 CG ASN A 55 14.347 -10.539 -6.942 1.00 0.00 C ATOM 833 OD1 ASN A 55 15.454 -11.041 -7.149 1.00 0.00 O ATOM 834 ND2 ASN A 55 13.422 -10.516 -7.885 1.00 0.00 N ATOM 0 H ASN A 55 13.561 -8.101 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 55 15.336 -8.292 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.526 -10.553 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.941 -10.085 -5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.618 -10.918 -8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.512 -10.097 -7.696 1.00 0.00 H new ATOM 841 N GLY A 56 13.059 -6.403 -5.442 1.00 0.00 N ATOM 842 CA GLY A 56 12.026 -5.461 -5.883 1.00 0.00 C ATOM 843 C GLY A 56 10.589 -5.905 -5.594 1.00 0.00 C ATOM 844 O GLY A 56 9.658 -5.140 -5.834 1.00 0.00 O ATOM 0 H GLY A 56 13.561 -6.085 -4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.199 -4.500 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.134 -5.301 -6.956 1.00 0.00 H new ATOM 848 N GLU A 57 10.386 -7.104 -5.050 1.00 0.00 N ATOM 849 CA GLU A 57 9.106 -7.788 -5.086 1.00 0.00 C ATOM 850 C GLU A 57 8.494 -7.836 -3.684 1.00 0.00 C ATOM 851 O GLU A 57 8.961 -8.585 -2.819 1.00 0.00 O ATOM 852 CB GLU A 57 9.316 -9.176 -5.696 1.00 0.00 C ATOM 853 CG GLU A 57 7.958 -9.846 -5.916 1.00 0.00 C ATOM 854 CD GLU A 57 8.081 -11.332 -6.244 1.00 0.00 C ATOM 855 OE1 GLU A 57 8.443 -12.113 -5.332 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.781 -11.719 -7.398 1.00 0.00 O ATOM 0 H GLU A 57 11.116 -7.628 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 57 8.393 -7.250 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.850 -9.092 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.932 -9.786 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.348 -9.725 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.435 -9.341 -6.728 1.00 0.00 H new ATOM 863 N LEU A 58 7.476 -7.005 -3.452 1.00 0.00 N ATOM 864 CA LEU A 58 6.713 -6.937 -2.214 1.00 0.00 C ATOM 865 C LEU A 58 5.722 -8.102 -2.077 1.00 0.00 C ATOM 866 O LEU A 58 4.575 -8.015 -2.517 1.00 0.00 O ATOM 867 CB LEU A 58 5.992 -5.582 -2.138 1.00 0.00 C ATOM 868 CG LEU A 58 5.413 -5.212 -0.763 1.00 0.00 C ATOM 869 CD1 LEU A 58 6.554 -5.060 0.243 1.00 0.00 C ATOM 870 CD2 LEU A 58 4.611 -3.899 -0.801 1.00 0.00 C ATOM 0 H LEU A 58 7.152 -6.337 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 58 7.407 -7.027 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.691 -4.802 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.180 -5.582 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 58 4.735 -6.013 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.146 -4.798 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.100 -6.000 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.231 -4.273 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.223 -3.681 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.260 -3.085 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.781 -4.000 -1.500 1.00 0.00 H new ATOM 882 N THR A 59 6.134 -9.176 -1.407 1.00 0.00 N ATOM 883 CA THR A 59 5.280 -10.322 -1.047 1.00 0.00 C ATOM 884 C THR A 59 5.002 -10.313 0.451 1.00 0.00 C ATOM 885 O THR A 59 5.957 -10.217 1.230 1.00 0.00 O ATOM 886 CB THR A 59 5.955 -11.660 -1.385 1.00 0.00 C ATOM 887 OG1 THR A 59 7.301 -11.654 -0.944 1.00 0.00 O ATOM 888 CG2 THR A 59 5.901 -11.976 -2.866 1.00 0.00 C ATOM 0 H THR A 59 7.097 -9.283 -1.087 1.00 0.00 H new ATOM 0 HA THR A 59 4.357 -10.226 -1.619 1.00 0.00 H new ATOM 0 HB THR A 59 5.399 -12.439 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.344 -11.304 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.391 -12.931 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.861 -12.033 -3.188 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.411 -11.191 -3.424 1.00 0.00 H new ATOM 896 N ALA A 60 3.740 -10.386 0.872 1.00 0.00 N ATOM 897 CA ALA A 60 3.344 -10.521 2.265 1.00 0.00 C ATOM 898 C ALA A 60 2.309 -11.636 2.395 1.00 0.00 C ATOM 899 O ALA A 60 1.104 -11.386 2.404 1.00 0.00 O ATOM 900 CB ALA A 60 2.820 -9.195 2.828 1.00 0.00 C ATOM 0 H ALA A 60 2.946 -10.352 0.232 1.00 0.00 H new ATOM 0 HA ALA A 60 4.220 -10.788 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.533 -9.331 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.601 -8.438 2.762 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.953 -8.872 2.252 1.00 0.00 H new ATOM 906 N LYS A 61 2.800 -12.862 2.562 1.00 0.00 N ATOM 907 CA LYS A 61 2.036 -14.042 2.958 1.00 0.00 C ATOM 908 C LYS A 61 1.103 -13.698 4.113 1.00 0.00 C ATOM 909 O LYS A 61 -0.120 -13.751 3.973 1.00 0.00 O ATOM 910 CB LYS A 61 3.033 -15.172 3.272 1.00 0.00 C ATOM 911 CG LYS A 61 2.425 -16.393 3.975 1.00 0.00 C ATOM 912 CD LYS A 61 3.494 -17.485 4.117 1.00 0.00 C ATOM 913 CE LYS A 61 2.993 -18.666 4.953 1.00 0.00 C ATOM 914 NZ LYS A 61 2.965 -18.366 6.398 1.00 0.00 N ATOM 0 H LYS A 61 3.788 -13.069 2.418 1.00 0.00 H new ATOM 0 HA LYS A 61 1.386 -14.390 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.494 -15.500 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.830 -14.770 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.046 -16.110 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.577 -16.771 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.787 -17.838 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.385 -17.063 4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.991 -18.941 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.635 -19.529 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.619 -19.197 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.924 -18.130 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.332 -17.560 6.573 1.00 0.00 H new ATOM 928 N GLY A 62 1.690 -13.304 5.240 1.00 0.00 N ATOM 929 CA GLY A 62 0.999 -12.997 6.485 1.00 0.00 C ATOM 930 C GLY A 62 0.368 -11.613 6.481 1.00 0.00 C ATOM 931 O GLY A 62 0.526 -10.866 7.446 1.00 0.00 O ATOM 0 H GLY A 62 2.701 -13.186 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.225 -13.744 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.703 -13.068 7.314 1.00 0.00 H new ATOM 935 N LEU A 63 -0.323 -11.232 5.405 1.00 0.00 N ATOM 936 CA LEU A 63 -1.184 -10.076 5.408 1.00 0.00 C ATOM 937 C LEU A 63 -2.321 -10.326 6.409 1.00 0.00 C ATOM 938 O LEU A 63 -2.825 -11.448 6.517 1.00 0.00 O ATOM 939 CB LEU A 63 -1.720 -9.847 3.989 1.00 0.00 C ATOM 940 CG LEU A 63 -1.972 -8.375 3.686 1.00 0.00 C ATOM 941 CD1 LEU A 63 -0.666 -7.611 3.443 1.00 0.00 C ATOM 942 CD2 LEU A 63 -2.862 -8.237 2.444 1.00 0.00 C ATOM 0 H LEU A 63 -0.293 -11.725 4.513 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.643 -9.180 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.007 -10.245 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.648 -10.404 3.861 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.468 -7.947 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.890 -6.566 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.037 -7.674 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.141 -8.049 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.036 -7.181 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.368 -8.698 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.816 -8.733 2.623 1.00 0.00 H new ATOM 954 N ALA A 64 -2.742 -9.291 7.132 1.00 0.00 N ATOM 955 CA ALA A 64 -3.707 -9.376 8.217 1.00 0.00 C ATOM 956 C ALA A 64 -4.815 -8.346 8.004 1.00 0.00 C ATOM 957 O ALA A 64 -4.691 -7.198 8.433 1.00 0.00 O ATOM 958 CB ALA A 64 -2.975 -9.191 9.553 1.00 0.00 C ATOM 0 H ALA A 64 -2.408 -8.341 6.971 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.184 -10.356 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.691 -9.253 10.372 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.224 -9.973 9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.489 -8.215 9.570 1.00 0.00 H new ATOM 964 N MET A 65 -5.913 -8.741 7.358 1.00 0.00 N ATOM 965 CA MET A 65 -7.044 -7.869 7.022 1.00 0.00 C ATOM 966 C MET A 65 -8.304 -8.323 7.762 1.00 0.00 C ATOM 967 O MET A 65 -8.398 -9.491 8.153 1.00 0.00 O ATOM 968 CB MET A 65 -7.291 -7.903 5.509 1.00 0.00 C ATOM 969 CG MET A 65 -6.086 -7.395 4.722 1.00 0.00 C ATOM 970 SD MET A 65 -6.401 -7.074 2.969 1.00 0.00 S ATOM 971 CE MET A 65 -7.351 -5.529 3.046 1.00 0.00 C ATOM 0 H MET A 65 -6.046 -9.703 7.045 1.00 0.00 H new ATOM 0 HA MET A 65 -6.806 -6.850 7.328 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.521 -8.923 5.202 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.163 -7.294 5.270 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.729 -6.476 5.186 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.282 -8.127 4.804 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.077 -5.508 2.234 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.873 -5.470 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.674 -4.680 2.950 1.00 0.00 H new ATOM 981 N THR A 66 -9.256 -7.408 7.960 1.00 0.00 N ATOM 982 CA THR A 66 -10.576 -7.709 8.521 1.00 0.00 C ATOM 983 C THR A 66 -11.550 -8.091 7.386 1.00 0.00 C ATOM 984 O THR A 66 -11.123 -8.247 6.240 1.00 0.00 O ATOM 985 CB THR A 66 -11.086 -6.530 9.380 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.391 -5.397 8.612 1.00 0.00 O ATOM 987 CG2 THR A 66 -10.113 -6.050 10.464 1.00 0.00 C ATOM 0 H THR A 66 -9.130 -6.422 7.732 1.00 0.00 H new ATOM 0 HA THR A 66 -10.504 -8.567 9.190 1.00 0.00 H new ATOM 0 HB THR A 66 -11.973 -6.955 9.851 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.582 -5.083 8.156 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.560 -5.221 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.902 -6.869 11.152 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.185 -5.718 9.999 1.00 0.00 H new ATOM 995 N ARG A 67 -12.849 -8.242 7.693 1.00 0.00 N ATOM 996 CA ARG A 67 -13.916 -8.407 6.695 1.00 0.00 C ATOM 997 C ARG A 67 -15.103 -7.463 6.926 1.00 0.00 C ATOM 998 O ARG A 67 -16.200 -7.704 6.411 1.00 0.00 O ATOM 999 CB ARG A 67 -14.376 -9.872 6.625 1.00 0.00 C ATOM 1000 CG ARG A 67 -13.351 -10.804 5.975 1.00 0.00 C ATOM 1001 CD ARG A 67 -14.007 -12.107 5.501 1.00 0.00 C ATOM 1002 NE ARG A 67 -14.292 -13.065 6.588 1.00 0.00 N ATOM 1003 CZ ARG A 67 -14.480 -14.381 6.400 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -14.569 -14.879 5.172 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -14.575 -15.194 7.443 1.00 0.00 N ATOM 0 H ARG A 67 -13.191 -8.253 8.654 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.489 -8.130 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.589 -10.226 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.310 -9.925 6.065 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.883 -10.301 5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.559 -11.031 6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.938 -11.867 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.355 -12.585 4.770 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.350 -12.705 7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.494 -14.261 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.712 -15.880 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.505 -14.820 8.389 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.718 -16.194 7.299 1.00 0.00 H new ATOM 1019 N MET A 68 -14.969 -6.429 7.760 1.00 0.00 N ATOM 1020 CA MET A 68 -16.066 -5.491 7.976 1.00 0.00 C ATOM 1021 C MET A 68 -16.459 -4.772 6.682 1.00 0.00 C ATOM 1022 O MET A 68 -15.729 -4.758 5.695 1.00 0.00 O ATOM 1023 CB MET A 68 -15.702 -4.471 9.059 1.00 0.00 C ATOM 1024 CG MET A 68 -15.700 -5.095 10.456 1.00 0.00 C ATOM 1025 SD MET A 68 -14.145 -5.771 11.077 1.00 0.00 S ATOM 1026 CE MET A 68 -13.320 -4.180 11.340 1.00 0.00 C ATOM 0 H MET A 68 -14.122 -6.224 8.290 1.00 0.00 H new ATOM 0 HA MET A 68 -16.927 -6.070 8.312 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.718 -4.053 8.847 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.412 -3.644 9.032 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.040 -4.337 11.161 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.440 -5.895 10.466 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.899 -4.150 12.345 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.522 -4.059 10.608 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.043 -3.372 11.226 1.00 0.00 H new ATOM 1036 N MET A 69 -17.610 -4.113 6.703 1.00 0.00 N ATOM 1037 CA MET A 69 -18.098 -3.224 5.673 1.00 0.00 C ATOM 1038 C MET A 69 -17.069 -2.107 5.475 1.00 0.00 C ATOM 1039 O MET A 69 -16.905 -1.254 6.346 1.00 0.00 O ATOM 1040 CB MET A 69 -19.472 -2.664 6.108 1.00 0.00 C ATOM 1041 CG MET A 69 -20.635 -3.154 5.239 1.00 0.00 C ATOM 1042 SD MET A 69 -21.733 -4.418 5.942 1.00 0.00 S ATOM 1043 CE MET A 69 -20.590 -5.789 6.255 1.00 0.00 C ATOM 0 H MET A 69 -18.259 -4.193 7.485 1.00 0.00 H new ATOM 0 HA MET A 69 -18.230 -3.746 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.659 -2.946 7.144 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.438 -1.575 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.244 -2.290 4.974 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.219 -3.548 4.312 1.00 0.00 H new ATOM 0 HE1 MET A 69 -21.157 -6.683 6.517 1.00 0.00 H new ATOM 0 HE2 MET A 69 -20.000 -5.983 5.359 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.924 -5.527 7.078 1.00 0.00 H new ATOM 1053 N CYS A 70 -16.390 -2.094 4.326 1.00 0.00 N ATOM 1054 CA CYS A 70 -15.529 -0.987 3.916 1.00 0.00 C ATOM 1055 C CYS A 70 -16.292 0.325 3.741 1.00 0.00 C ATOM 1056 O CYS A 70 -15.653 1.377 3.716 1.00 0.00 O ATOM 1057 CB CYS A 70 -14.774 -1.387 2.655 1.00 0.00 C ATOM 1058 SG CYS A 70 -13.753 -2.868 2.824 1.00 0.00 S ATOM 0 H CYS A 70 -16.424 -2.858 3.650 1.00 0.00 H new ATOM 0 HA CYS A 70 -14.813 -0.792 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -15.494 -1.548 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -14.138 -0.556 2.350 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.627 0.279 3.686 1.00 0.00 N ATOM 1064 CA ALA A 71 -18.544 1.399 3.850 1.00 0.00 C ATOM 1065 C ALA A 71 -18.395 2.526 2.822 1.00 0.00 C ATOM 1066 O ALA A 71 -19.093 3.535 2.925 1.00 0.00 O ATOM 1067 CB ALA A 71 -18.535 1.879 5.308 1.00 0.00 C ATOM 0 H ALA A 71 -18.121 -0.597 3.515 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.540 1.019 3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.224 2.716 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.846 1.064 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.529 2.198 5.580 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.522 2.381 1.825 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.624 3.141 0.575 1.00 0.00 C ATOM 1075 C ASN A 72 -17.208 2.215 -0.570 1.00 0.00 C ATOM 1076 O ASN A 72 -16.241 1.468 -0.397 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.718 4.383 0.685 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.789 5.298 -0.529 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.617 6.202 -0.583 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.948 5.108 -1.534 1.00 0.00 N ATOM 0 H ASN A 72 -16.730 1.739 1.858 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.639 3.488 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.998 4.949 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.687 4.059 0.826 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.988 5.713 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.260 4.356 -1.488 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.842 2.301 -1.754 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.730 1.283 -2.796 1.00 0.00 C ATOM 1089 C PRO A 73 -16.309 1.169 -3.324 1.00 0.00 C ATOM 1090 O PRO A 73 -15.779 0.066 -3.433 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.719 1.689 -3.899 1.00 0.00 C ATOM 1092 CG PRO A 73 -19.007 3.161 -3.615 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.913 3.218 -2.102 1.00 0.00 C ATOM 0 HA PRO A 73 -17.969 0.295 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.289 1.551 -4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.629 1.090 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.281 3.818 -4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.992 3.460 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.693 4.229 -1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.853 2.921 -1.637 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.684 2.309 -3.629 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.328 2.337 -4.163 1.00 0.00 C ATOM 1103 C GLN A 74 -13.348 1.687 -3.181 1.00 0.00 C ATOM 1104 O GLN A 74 -12.455 0.963 -3.615 1.00 0.00 O ATOM 1105 CB GLN A 74 -13.931 3.785 -4.504 1.00 0.00 C ATOM 1106 CG GLN A 74 -12.717 3.836 -5.450 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.365 5.238 -5.955 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.033 6.221 -5.641 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -11.343 5.338 -6.789 1.00 0.00 N ATOM 0 H GLN A 74 -16.104 3.231 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.290 1.755 -5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.776 4.294 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.699 4.325 -3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.852 3.422 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.913 3.193 -6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.803 4.509 -7.035 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.095 6.244 -7.186 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.535 1.914 -1.874 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.646 1.384 -0.845 1.00 0.00 C ATOM 1120 C LEU A 75 -12.868 -0.127 -0.714 1.00 0.00 C ATOM 1121 O LEU A 75 -11.908 -0.881 -0.600 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.844 2.090 0.518 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.858 3.629 0.527 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -13.120 4.099 1.963 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.549 4.254 0.044 1.00 0.00 C ATOM 0 H LEU A 75 -14.307 2.470 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.618 1.578 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.786 1.743 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.051 1.757 1.187 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.638 3.949 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.134 5.189 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.082 3.714 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.330 3.729 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.631 5.340 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.732 3.932 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.350 3.936 -0.979 1.00 0.00 H new ATOM 1137 N ASN A 76 -14.128 -0.585 -0.743 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.467 -2.009 -0.621 1.00 0.00 C ATOM 1139 C ASN A 76 -13.895 -2.814 -1.785 1.00 0.00 C ATOM 1140 O ASN A 76 -13.364 -3.903 -1.590 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.993 -2.197 -0.453 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.355 -3.434 0.384 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.850 -4.523 0.159 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.227 -3.322 1.384 1.00 0.00 N ATOM 0 H ASN A 76 -14.940 0.022 -0.852 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.000 -2.402 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.413 -1.309 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.454 -2.283 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.464 -4.138 1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.658 -2.420 1.586 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.908 -2.245 -2.988 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.309 -2.846 -4.173 1.00 0.00 C ATOM 1153 C GLU A 77 -11.792 -3.085 -4.036 1.00 0.00 C ATOM 1154 O GLU A 77 -11.227 -3.913 -4.762 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.556 -1.900 -5.357 1.00 0.00 C ATOM 1156 CG GLU A 77 -14.360 -2.518 -6.499 1.00 0.00 C ATOM 1157 CD GLU A 77 -14.058 -1.785 -7.805 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -12.874 -1.799 -8.211 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -14.987 -1.191 -8.407 1.00 0.00 O ATOM 0 H GLU A 77 -14.342 -1.340 -3.168 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.770 -3.823 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.081 -1.015 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.594 -1.564 -5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.112 -3.575 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.426 -2.460 -6.278 1.00 0.00 H new ATOM 1166 N LEU A 78 -11.111 -2.330 -3.169 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.662 -2.399 -2.996 1.00 0.00 C ATOM 1168 C LEU A 78 -9.272 -3.429 -1.946 1.00 0.00 C ATOM 1169 O LEU A 78 -8.123 -3.860 -1.951 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.084 -1.012 -2.666 1.00 0.00 C ATOM 1171 CG LEU A 78 -9.167 -0.032 -3.853 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.749 1.385 -3.435 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.321 -0.507 -5.042 1.00 0.00 C ATOM 0 H LEU A 78 -11.559 -1.645 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.229 -2.726 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.622 -0.592 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.043 -1.120 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.209 -0.005 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.818 2.053 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.410 1.741 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.722 1.369 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.406 0.210 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.278 -0.588 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.678 -1.481 -5.376 1.00 0.00 H new ATOM 1185 N ASP A 79 -10.219 -3.886 -1.120 1.00 0.00 N ATOM 1186 CA ASP A 79 -10.025 -4.939 -0.124 1.00 0.00 C ATOM 1187 C ASP A 79 -9.496 -6.218 -0.748 1.00 0.00 C ATOM 1188 O ASP A 79 -8.604 -6.864 -0.198 1.00 0.00 O ATOM 1189 CB ASP A 79 -11.350 -5.234 0.587 1.00 0.00 C ATOM 1190 CG ASP A 79 -11.140 -6.211 1.740 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.473 -5.822 2.718 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -11.641 -7.361 1.652 1.00 0.00 O ATOM 0 H ASP A 79 -11.171 -3.520 -1.128 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.285 -4.580 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.780 -4.306 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.064 -5.651 -0.123 1.00 0.00 H new ATOM 1197 N ASN A 80 -10.043 -6.583 -1.904 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.645 -7.793 -2.599 1.00 0.00 C ATOM 1199 C ASN A 80 -8.317 -7.511 -3.282 1.00 0.00 C ATOM 1200 O ASN A 80 -7.324 -8.173 -2.996 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.713 -8.254 -3.609 1.00 0.00 C ATOM 1202 CG ASN A 80 -12.068 -8.439 -2.944 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -12.222 -9.181 -1.974 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -13.076 -7.705 -3.382 1.00 0.00 N ATOM 0 H ASN A 80 -10.770 -6.049 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.538 -8.612 -1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.797 -7.520 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.401 -9.192 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.982 -7.753 -2.916 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -12.948 -7.090 -4.186 1.00 0.00 H new ATOM 1211 N THR A 81 -8.300 -6.461 -4.107 1.00 0.00 N ATOM 1212 CA THR A 81 -7.178 -6.026 -4.920 1.00 0.00 C ATOM 1213 C THR A 81 -5.876 -6.031 -4.106 1.00 0.00 C ATOM 1214 O THR A 81 -4.915 -6.683 -4.513 1.00 0.00 O ATOM 1215 CB THR A 81 -7.515 -4.634 -5.494 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.798 -4.622 -6.108 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.507 -4.161 -6.541 1.00 0.00 C ATOM 0 H THR A 81 -9.118 -5.863 -4.227 1.00 0.00 H new ATOM 0 HA THR A 81 -7.013 -6.717 -5.747 1.00 0.00 H new ATOM 0 HB THR A 81 -7.487 -3.961 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.470 -4.334 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.798 -3.176 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.516 -4.103 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.488 -4.866 -7.372 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.823 -5.344 -2.961 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.586 -5.235 -2.198 1.00 0.00 C ATOM 1227 C ILE A 82 -4.139 -6.595 -1.665 1.00 0.00 C ATOM 1228 O ILE A 82 -2.942 -6.902 -1.683 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.746 -4.191 -1.066 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -3.401 -3.836 -0.411 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.687 -4.634 0.074 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.354 -3.296 -1.384 1.00 0.00 C ATOM 0 H ILE A 82 -6.620 -4.859 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.797 -4.887 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.180 -3.331 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.574 -3.094 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.002 -4.725 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.744 -3.847 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.682 -4.824 -0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.301 -5.545 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.436 -3.070 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.149 -4.044 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.729 -2.388 -1.855 1.00 0.00 H new ATOM 1244 N SER A 83 -5.093 -7.401 -1.189 1.00 0.00 N ATOM 1245 CA SER A 83 -4.781 -8.677 -0.578 1.00 0.00 C ATOM 1246 C SER A 83 -4.166 -9.600 -1.633 1.00 0.00 C ATOM 1247 O SER A 83 -3.206 -10.315 -1.337 1.00 0.00 O ATOM 1248 CB SER A 83 -6.049 -9.256 0.062 1.00 0.00 C ATOM 1249 OG SER A 83 -5.801 -9.955 1.268 1.00 0.00 O ATOM 0 H SER A 83 -6.089 -7.182 -1.220 1.00 0.00 H new ATOM 0 HA SER A 83 -4.046 -8.563 0.219 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.751 -8.445 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.530 -9.929 -0.647 1.00 0.00 H new ATOM 0 HG SER A 83 -5.901 -9.343 2.027 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.688 -9.535 -2.856 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.315 -10.339 -3.999 1.00 0.00 C ATOM 1257 C GLU A 84 -2.972 -9.889 -4.584 1.00 0.00 C ATOM 1258 O GLU A 84 -2.207 -10.733 -5.050 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.452 -10.207 -5.025 1.00 0.00 C ATOM 1260 CG GLU A 84 -6.739 -10.881 -4.517 1.00 0.00 C ATOM 1261 CD GLU A 84 -8.008 -10.536 -5.304 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -8.001 -9.710 -6.241 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -9.036 -11.207 -5.060 1.00 0.00 O ATOM 0 H GLU A 84 -5.431 -8.873 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.180 -11.381 -3.710 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.645 -9.153 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.149 -10.660 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.598 -11.962 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.890 -10.602 -3.474 1.00 0.00 H new ATOM 1270 N MET A 85 -2.651 -8.588 -4.551 1.00 0.00 N ATOM 1271 CA MET A 85 -1.400 -8.061 -5.088 1.00 0.00 C ATOM 1272 C MET A 85 -0.248 -8.575 -4.229 1.00 0.00 C ATOM 1273 O MET A 85 0.684 -9.224 -4.704 1.00 0.00 O ATOM 1274 CB MET A 85 -1.447 -6.523 -5.099 1.00 0.00 C ATOM 1275 CG MET A 85 -2.321 -5.979 -6.235 1.00 0.00 C ATOM 1276 SD MET A 85 -2.629 -4.192 -6.172 1.00 0.00 S ATOM 1277 CE MET A 85 -1.075 -3.617 -6.897 1.00 0.00 C ATOM 0 H MET A 85 -3.258 -7.874 -4.149 1.00 0.00 H new ATOM 0 HA MET A 85 -1.253 -8.396 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.832 -6.166 -4.144 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.435 -6.131 -5.202 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.845 -6.218 -7.186 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.279 -6.499 -6.218 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.138 -2.546 -7.090 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.256 -3.813 -6.205 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.893 -4.145 -7.833 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.342 -8.319 -2.924 1.00 0.00 N ATOM 1288 CA LEU A 86 0.714 -8.615 -1.965 1.00 0.00 C ATOM 1289 C LEU A 86 0.939 -10.114 -1.809 1.00 0.00 C ATOM 1290 O LEU A 86 1.993 -10.512 -1.318 1.00 0.00 O ATOM 1291 CB LEU A 86 0.325 -8.018 -0.607 1.00 0.00 C ATOM 1292 CG LEU A 86 0.586 -6.509 -0.431 1.00 0.00 C ATOM 1293 CD1 LEU A 86 1.953 -6.292 0.239 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.523 -5.640 -1.693 1.00 0.00 C ATOM 0 H LEU A 86 -1.167 -7.894 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 86 1.642 -8.178 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.736 -8.204 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.868 -8.553 0.172 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.249 -6.175 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.133 -5.224 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.960 -6.775 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.736 -6.723 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.725 -4.602 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.269 -5.984 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.469 -5.715 -2.138 1.00 0.00 H new ATOM 1306 N LYS A 87 -0.033 -10.953 -2.167 1.00 0.00 N ATOM 1307 CA LYS A 87 0.139 -12.391 -2.055 1.00 0.00 C ATOM 1308 C LYS A 87 1.120 -12.914 -3.097 1.00 0.00 C ATOM 1309 O LYS A 87 1.902 -13.800 -2.752 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.214 -13.109 -2.169 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.342 -14.233 -1.136 1.00 0.00 C ATOM 1312 CD LYS A 87 -1.299 -13.727 0.316 1.00 0.00 C ATOM 1313 CE LYS A 87 -2.349 -14.446 1.169 1.00 0.00 C ATOM 1314 NZ LYS A 87 -2.543 -13.799 2.479 1.00 0.00 N ATOM 0 H LYS A 87 -0.939 -10.660 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 87 0.558 -12.602 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.021 -12.390 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.325 -13.521 -3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.279 -14.765 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.536 -14.951 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.307 -13.893 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.479 -12.652 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.298 -14.467 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.045 -15.482 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.262 -14.320 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.645 -13.801 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.859 -12.818 2.338 1.00 0.00 H new ATOM 1328 N GLU A 88 1.057 -12.402 -4.335 1.00 0.00 N ATOM 1329 CA GLU A 88 1.894 -12.910 -5.421 1.00 0.00 C ATOM 1330 C GLU A 88 3.275 -12.269 -5.430 1.00 0.00 C ATOM 1331 O GLU A 88 4.259 -12.968 -5.660 1.00 0.00 O ATOM 1332 CB GLU A 88 1.209 -12.890 -6.798 1.00 0.00 C ATOM 1333 CG GLU A 88 1.116 -11.528 -7.503 1.00 0.00 C ATOM 1334 CD GLU A 88 1.455 -11.615 -8.996 1.00 0.00 C ATOM 1335 OE1 GLU A 88 2.643 -11.708 -9.381 1.00 0.00 O ATOM 1336 OE2 GLU A 88 0.499 -11.544 -9.794 1.00 0.00 O ATOM 0 H GLU A 88 0.436 -11.639 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 88 2.044 -13.968 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.744 -13.577 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.199 -13.282 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.108 -11.130 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.795 -10.825 -7.020 1.00 0.00 H new ATOM 1343 N GLY A 89 3.376 -10.973 -5.127 1.00 0.00 N ATOM 1344 CA GLY A 89 4.631 -10.252 -5.234 1.00 0.00 C ATOM 1345 C GLY A 89 4.474 -9.086 -6.169 1.00 0.00 C ATOM 1346 O GLY A 89 4.772 -9.183 -7.361 1.00 0.00 O ATOM 0 H GLY A 89 2.593 -10.404 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.944 -9.901 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.413 -10.918 -5.598 1.00 0.00 H new ATOM 1350 N ALA A 90 3.992 -7.988 -5.600 1.00 0.00 N ATOM 1351 CA ALA A 90 3.880 -6.756 -6.350 1.00 0.00 C ATOM 1352 C ALA A 90 5.285 -6.256 -6.669 1.00 0.00 C ATOM 1353 O ALA A 90 6.161 -6.308 -5.802 1.00 0.00 O ATOM 1354 CB ALA A 90 3.075 -5.740 -5.546 1.00 0.00 C ATOM 0 H ALA A 90 3.677 -7.931 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 90 3.351 -6.916 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.991 -4.812 -6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.079 -6.137 -5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.579 -5.543 -4.600 1.00 0.00 H new ATOM 1360 N GLN A 91 5.494 -5.748 -7.880 1.00 0.00 N ATOM 1361 CA GLN A 91 6.661 -4.966 -8.191 1.00 0.00 C ATOM 1362 C GLN A 91 6.510 -3.679 -7.385 1.00 0.00 C ATOM 1363 O GLN A 91 5.396 -3.154 -7.248 1.00 0.00 O ATOM 1364 CB GLN A 91 6.711 -4.634 -9.691 1.00 0.00 C ATOM 1365 CG GLN A 91 6.762 -5.829 -10.658 1.00 0.00 C ATOM 1366 CD GLN A 91 5.379 -6.348 -11.065 1.00 0.00 C ATOM 1367 OE1 GLN A 91 4.621 -5.660 -11.748 1.00 0.00 O ATOM 1368 NE2 GLN A 91 5.037 -7.564 -10.667 1.00 0.00 N ATOM 0 H GLN A 91 4.854 -5.873 -8.664 1.00 0.00 H new ATOM 0 HA GLN A 91 7.577 -5.505 -7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.835 -4.034 -9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.586 -4.010 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.310 -5.537 -11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.322 -6.639 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.682 -8.116 -10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.129 -7.949 -10.926 1.00 0.00 H new ATOM 1377 N VAL A 92 7.616 -3.175 -6.856 1.00 0.00 N ATOM 1378 CA VAL A 92 7.661 -1.949 -6.089 1.00 0.00 C ATOM 1379 C VAL A 92 8.786 -1.129 -6.697 1.00 0.00 C ATOM 1380 O VAL A 92 9.940 -1.555 -6.721 1.00 0.00 O ATOM 1381 CB VAL A 92 7.800 -2.287 -4.593 1.00 0.00 C ATOM 1382 CG1 VAL A 92 8.040 -1.060 -3.697 1.00 0.00 C ATOM 1383 CG2 VAL A 92 6.503 -2.955 -4.128 1.00 0.00 C ATOM 0 H VAL A 92 8.527 -3.623 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 92 6.752 -1.350 -6.136 1.00 0.00 H new ATOM 0 HB VAL A 92 8.671 -2.935 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.127 -1.379 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.960 -0.561 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.203 -0.369 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.581 -3.203 -3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.667 -2.272 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.337 -3.866 -4.703 1.00 0.00 H new ATOM 1393 N ASP A 93 8.418 0.031 -7.227 1.00 0.00 N ATOM 1394 CA ASP A 93 9.239 0.933 -8.014 1.00 0.00 C ATOM 1395 C ASP A 93 9.093 2.297 -7.346 1.00 0.00 C ATOM 1396 O ASP A 93 8.200 3.076 -7.685 1.00 0.00 O ATOM 1397 CB ASP A 93 8.765 0.948 -9.481 1.00 0.00 C ATOM 1398 CG ASP A 93 9.200 -0.284 -10.274 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.411 -0.603 -10.267 1.00 0.00 O ATOM 1400 OD2 ASP A 93 8.344 -0.908 -10.947 1.00 0.00 O ATOM 0 H ASP A 93 7.470 0.388 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 93 10.285 0.628 -8.045 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.678 1.019 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.153 1.841 -9.971 1.00 0.00 H new ATOM 1405 N LEU A 94 9.896 2.564 -6.310 1.00 0.00 N ATOM 1406 CA LEU A 94 9.948 3.885 -5.689 1.00 0.00 C ATOM 1407 C LEU A 94 10.923 4.746 -6.467 1.00 0.00 C ATOM 1408 O LEU A 94 12.139 4.557 -6.435 1.00 0.00 O ATOM 1409 CB LEU A 94 10.307 3.833 -4.208 1.00 0.00 C ATOM 1410 CG LEU A 94 10.514 5.205 -3.534 1.00 0.00 C ATOM 1411 CD1 LEU A 94 9.258 6.076 -3.490 1.00 0.00 C ATOM 1412 CD2 LEU A 94 10.993 4.972 -2.108 1.00 0.00 C ATOM 0 H LEU A 94 10.520 1.878 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 94 8.951 4.323 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.517 3.301 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.219 3.248 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 94 11.245 5.744 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.488 7.022 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.912 6.267 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.477 5.560 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.145 5.932 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.245 4.398 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.933 4.420 -2.125 1.00 0.00 H new ATOM 1424 N THR A 95 10.329 5.692 -7.160 1.00 0.00 N ATOM 1425 CA THR A 95 10.961 6.811 -7.829 1.00 0.00 C ATOM 1426 C THR A 95 11.324 7.883 -6.785 1.00 0.00 C ATOM 1427 O THR A 95 11.018 7.729 -5.598 1.00 0.00 O ATOM 1428 CB THR A 95 9.995 7.330 -8.924 1.00 0.00 C ATOM 1429 OG1 THR A 95 9.079 6.335 -9.354 1.00 0.00 O ATOM 1430 CG2 THR A 95 10.717 7.838 -10.170 1.00 0.00 C ATOM 0 H THR A 95 9.316 5.701 -7.280 1.00 0.00 H new ATOM 0 HA THR A 95 11.891 6.519 -8.318 1.00 0.00 H new ATOM 0 HB THR A 95 9.468 8.153 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.490 6.708 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.985 8.187 -10.898 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.378 8.661 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.304 7.029 -10.605 1.00 0.00 H new ATOM 1438 N ALA A 96 11.935 8.996 -7.211 1.00 0.00 N ATOM 1439 CA ALA A 96 12.642 9.949 -6.351 1.00 0.00 C ATOM 1440 C ALA A 96 11.891 10.302 -5.060 1.00 0.00 C ATOM 1441 O ALA A 96 12.511 10.337 -3.995 1.00 0.00 O ATOM 1442 CB ALA A 96 12.970 11.212 -7.155 1.00 0.00 C ATOM 0 H ALA A 96 11.950 9.265 -8.195 1.00 0.00 H new ATOM 0 HA ALA A 96 13.560 9.460 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.496 11.923 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.601 10.949 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.046 11.663 -7.516 1.00 0.00 H new ATOM 1448 N ASN A 97 10.571 10.512 -5.127 1.00 0.00 N ATOM 1449 CA ASN A 97 9.679 10.670 -3.977 1.00 0.00 C ATOM 1450 C ASN A 97 8.253 10.194 -4.286 1.00 0.00 C ATOM 1451 O ASN A 97 7.281 10.728 -3.740 1.00 0.00 O ATOM 1452 CB ASN A 97 9.707 12.120 -3.477 1.00 0.00 C ATOM 1453 CG ASN A 97 9.531 13.164 -4.575 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.657 13.064 -5.435 1.00 0.00 O ATOM 1455 ND2 ASN A 97 10.363 14.188 -4.553 1.00 0.00 N ATOM 0 H ASN A 97 10.079 10.579 -6.018 1.00 0.00 H new ATOM 0 HA ASN A 97 10.045 10.030 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.919 12.252 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.655 12.299 -2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.290 14.920 -5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.079 14.248 -3.829 1.00 0.00 H new ATOM 1462 N GLN A 98 8.101 9.188 -5.154 1.00 0.00 N ATOM 1463 CA GLN A 98 6.792 8.679 -5.540 1.00 0.00 C ATOM 1464 C GLN A 98 6.883 7.183 -5.830 1.00 0.00 C ATOM 1465 O GLN A 98 7.725 6.751 -6.613 1.00 0.00 O ATOM 1466 CB GLN A 98 6.301 9.455 -6.762 1.00 0.00 C ATOM 1467 CG GLN A 98 4.804 9.235 -6.984 1.00 0.00 C ATOM 1468 CD GLN A 98 4.429 9.743 -8.360 1.00 0.00 C ATOM 1469 OE1 GLN A 98 4.237 10.943 -8.562 1.00 0.00 O ATOM 1470 NE2 GLN A 98 4.420 8.849 -9.331 1.00 0.00 N ATOM 0 H GLN A 98 8.881 8.709 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 98 6.078 8.817 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.500 10.518 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.854 9.137 -7.646 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.562 8.176 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.229 9.759 -6.220 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.584 7.865 -9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.249 9.142 -10.293 1.00 0.00 H new ATOM 1479 N LEU A 99 6.045 6.399 -5.164 1.00 0.00 N ATOM 1480 CA LEU A 99 5.983 4.950 -5.223 1.00 0.00 C ATOM 1481 C LEU A 99 5.019 4.501 -6.321 1.00 0.00 C ATOM 1482 O LEU A 99 3.852 4.891 -6.304 1.00 0.00 O ATOM 1483 CB LEU A 99 5.482 4.464 -3.853 1.00 0.00 C ATOM 1484 CG LEU A 99 5.071 2.979 -3.808 1.00 0.00 C ATOM 1485 CD1 LEU A 99 6.202 2.038 -4.251 1.00 0.00 C ATOM 1486 CD2 LEU A 99 4.606 2.591 -2.398 1.00 0.00 C ATOM 0 H LEU A 99 5.347 6.786 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 99 6.964 4.533 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.265 4.633 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.628 5.073 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 99 4.249 2.864 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.857 1.005 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.491 2.274 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.061 2.167 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.320 1.539 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.418 2.754 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.749 3.203 -2.116 1.00 0.00 H new ATOM 1498 N THR A 100 5.456 3.596 -7.193 1.00 0.00 N ATOM 1499 CA THR A 100 4.581 2.755 -7.993 1.00 0.00 C ATOM 1500 C THR A 100 4.570 1.335 -7.421 1.00 0.00 C ATOM 1501 O THR A 100 5.621 0.735 -7.193 1.00 0.00 O ATOM 1502 CB THR A 100 5.050 2.795 -9.447 1.00 0.00 C ATOM 1503 OG1 THR A 100 4.917 4.125 -9.905 1.00 0.00 O ATOM 1504 CG2 THR A 100 4.223 1.875 -10.346 1.00 0.00 C ATOM 0 H THR A 100 6.447 3.426 -7.364 1.00 0.00 H new ATOM 0 HA THR A 100 3.555 3.122 -7.962 1.00 0.00 H new ATOM 0 HB THR A 100 6.083 2.451 -9.490 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.213 4.181 -10.837 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.593 1.937 -11.369 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.307 0.848 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.178 2.183 -10.319 1.00 0.00 H new ATOM 1512 N LEU A 101 3.370 0.806 -7.188 1.00 0.00 N ATOM 1513 CA LEU A 101 3.068 -0.612 -7.048 1.00 0.00 C ATOM 1514 C LEU A 101 2.542 -1.092 -8.390 1.00 0.00 C ATOM 1515 O LEU A 101 1.735 -0.385 -8.985 1.00 0.00 O ATOM 1516 CB LEU A 101 1.935 -0.753 -6.015 1.00 0.00 C ATOM 1517 CG LEU A 101 2.343 -1.175 -4.607 1.00 0.00 C ATOM 1518 CD1 LEU A 101 2.555 -2.679 -4.497 1.00 0.00 C ATOM 1519 CD2 LEU A 101 3.588 -0.447 -4.128 1.00 0.00 C ATOM 0 H LEU A 101 2.539 1.389 -7.087 1.00 0.00 H new ATOM 0 HA LEU A 101 3.945 -1.180 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.415 0.203 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.217 -1.480 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 101 1.510 -0.895 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.844 -2.932 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.630 -3.196 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.343 -2.987 -5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.840 -0.780 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.418 -0.664 -4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.401 0.627 -4.118 1.00 0.00 H new ATOM 1531 N ALA A 102 2.894 -2.302 -8.808 1.00 0.00 N ATOM 1532 CA ALA A 102 2.345 -2.970 -9.985 1.00 0.00 C ATOM 1533 C ALA A 102 2.236 -4.464 -9.668 1.00 0.00 C ATOM 1534 O ALA A 102 2.997 -4.971 -8.844 1.00 0.00 O ATOM 1535 CB ALA A 102 3.279 -2.696 -11.165 1.00 0.00 C ATOM 0 H ALA A 102 3.592 -2.865 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 102 1.353 -2.602 -10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.890 -3.185 -12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.341 -1.622 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.272 -3.086 -10.941 1.00 0.00 H new ATOM 1541 N THR A 103 1.258 -5.182 -10.215 1.00 0.00 N ATOM 1542 CA THR A 103 1.082 -6.611 -10.131 1.00 0.00 C ATOM 1543 C THR A 103 0.111 -7.027 -11.246 1.00 0.00 C ATOM 1544 O THR A 103 -0.563 -6.178 -11.841 1.00 0.00 O ATOM 1545 CB THR A 103 0.480 -6.990 -8.764 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.733 -6.064 -7.728 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.058 -8.309 -8.317 1.00 0.00 C ATOM 0 H THR A 103 0.521 -4.740 -10.765 1.00 0.00 H new ATOM 0 HA THR A 103 2.042 -7.116 -10.241 1.00 0.00 H new ATOM 0 HB THR A 103 -0.598 -7.020 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.688 -6.521 -6.862 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.636 -8.582 -7.350 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.816 -9.079 -9.049 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.141 -8.220 -8.228 1.00 0.00 H new ATOM 1555 N ALA A 104 -0.086 -8.337 -11.432 1.00 0.00 N ATOM 1556 CA ALA A 104 -1.071 -8.887 -12.360 1.00 0.00 C ATOM 1557 C ALA A 104 -2.461 -8.281 -12.152 1.00 0.00 C ATOM 1558 O ALA A 104 -3.175 -8.049 -13.127 1.00 0.00 O ATOM 1559 CB ALA A 104 -1.137 -10.411 -12.230 1.00 0.00 C ATOM 0 H ALA A 104 0.444 -9.052 -10.933 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.745 -8.625 -13.367 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.876 -10.804 -12.928 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.160 -10.838 -12.457 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.422 -10.677 -11.212 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.847 -8.002 -10.901 1.00 0.00 N ATOM 1566 CA LYS A 105 -4.102 -7.321 -10.605 1.00 0.00 C ATOM 1567 C LYS A 105 -4.113 -5.912 -11.184 1.00 0.00 C ATOM 1568 O LYS A 105 -4.844 -5.674 -12.145 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.413 -7.339 -9.098 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.113 -8.645 -8.708 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.579 -8.671 -9.188 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.044 -10.078 -9.578 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.055 -11.002 -8.430 1.00 0.00 N ATOM 0 H LYS A 105 -2.299 -8.242 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.906 -7.872 -11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.489 -7.231 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.046 -6.490 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.574 -9.489 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.082 -8.765 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.223 -8.285 -8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.690 -8.005 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.045 -10.022 -10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.388 -10.473 -10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.327 -11.953 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.107 -11.039 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.739 -10.668 -7.722 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.390 -4.968 -10.581 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.412 -3.582 -11.026 1.00 0.00 C ATOM 1589 C GLN A 106 -2.102 -2.858 -10.689 1.00 0.00 C ATOM 1590 O GLN A 106 -1.157 -3.480 -10.207 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.692 -2.888 -10.540 1.00 0.00 C ATOM 1592 CG GLN A 106 -4.651 -2.362 -9.117 1.00 0.00 C ATOM 1593 CD GLN A 106 -5.662 -1.231 -8.965 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -5.340 -0.062 -9.096 1.00 0.00 O ATOM 1595 NE2 GLN A 106 -6.929 -1.530 -8.789 1.00 0.00 N ATOM 0 H GLN A 106 -2.782 -5.143 -9.781 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.457 -3.546 -12.114 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.910 -2.056 -11.210 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.520 -3.591 -10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.878 -3.164 -8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.650 -2.004 -8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.213 -2.503 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.629 -0.789 -8.763 1.00 0.00 H new ATOM 1604 N THR A 107 -2.068 -1.543 -10.901 1.00 0.00 N ATOM 1605 CA THR A 107 -0.955 -0.650 -10.607 1.00 0.00 C ATOM 1606 C THR A 107 -1.498 0.523 -9.781 1.00 0.00 C ATOM 1607 O THR A 107 -2.593 1.015 -10.047 1.00 0.00 O ATOM 1608 CB THR A 107 -0.217 -0.259 -11.909 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.706 0.788 -11.692 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.150 0.172 -13.041 1.00 0.00 C ATOM 0 H THR A 107 -2.863 -1.047 -11.305 1.00 0.00 H new ATOM 0 HA THR A 107 -0.188 -1.134 -10.003 1.00 0.00 H new ATOM 0 HB THR A 107 0.297 -1.172 -12.211 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.192 0.627 -10.857 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.560 0.431 -13.920 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.827 -0.646 -13.286 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.729 1.039 -12.725 1.00 0.00 H new ATOM 1618 N LEU A 108 -0.784 0.910 -8.724 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.129 1.900 -7.715 1.00 0.00 C ATOM 1620 C LEU A 108 -0.018 2.936 -7.689 1.00 0.00 C ATOM 1621 O LEU A 108 1.148 2.592 -7.897 1.00 0.00 O ATOM 1622 CB LEU A 108 -1.202 1.212 -6.335 1.00 0.00 C ATOM 1623 CG LEU A 108 -2.620 0.873 -5.888 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -3.269 -0.153 -6.795 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.629 0.329 -4.454 1.00 0.00 C ATOM 0 H LEU A 108 0.131 0.499 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.089 2.363 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.612 0.296 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.743 1.863 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.189 1.802 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.278 -0.366 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.316 0.238 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.680 -1.070 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.652 0.095 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.022 -0.575 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.220 1.079 -3.778 1.00 0.00 H new ATOM 1637 N THR A 109 -0.356 4.177 -7.351 1.00 0.00 N ATOM 1638 CA THR A 109 0.603 5.278 -7.364 1.00 0.00 C ATOM 1639 C THR A 109 0.499 6.061 -6.052 1.00 0.00 C ATOM 1640 O THR A 109 -0.429 6.851 -5.837 1.00 0.00 O ATOM 1641 CB THR A 109 0.413 6.149 -8.616 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.005 5.396 -9.753 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.702 6.901 -8.943 1.00 0.00 C ATOM 0 H THR A 109 -1.296 4.447 -7.062 1.00 0.00 H new ATOM 0 HA THR A 109 1.620 4.890 -7.425 1.00 0.00 H new ATOM 0 HB THR A 109 -0.384 6.855 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.103 5.995 -10.521 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.551 7.513 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.973 7.541 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.504 6.186 -9.127 1.00 0.00 H new ATOM 1651 N TYR A 110 1.447 5.820 -5.150 1.00 0.00 N ATOM 1652 CA TYR A 110 1.466 6.356 -3.800 1.00 0.00 C ATOM 1653 C TYR A 110 2.469 7.508 -3.698 1.00 0.00 C ATOM 1654 O TYR A 110 3.554 7.480 -4.281 1.00 0.00 O ATOM 1655 CB TYR A 110 1.881 5.240 -2.825 1.00 0.00 C ATOM 1656 CG TYR A 110 0.851 4.204 -2.412 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.702 3.030 -3.175 1.00 0.00 C ATOM 1658 CD2 TYR A 110 0.156 4.330 -1.196 1.00 0.00 C ATOM 1659 CE1 TYR A 110 -0.130 1.995 -2.719 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -0.715 3.318 -0.756 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.847 2.132 -1.508 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.601 1.106 -1.027 1.00 0.00 O ATOM 0 H TYR A 110 2.250 5.224 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 110 0.472 6.728 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.722 4.709 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.251 5.717 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.228 2.926 -4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.293 5.215 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.223 1.088 -3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.281 3.448 0.155 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.022 1.377 -0.185 1.00 0.00 H new ATOM 1672 N LYS A 111 2.136 8.511 -2.890 1.00 0.00 N ATOM 1673 CA LYS A 111 2.928 9.728 -2.712 1.00 0.00 C ATOM 1674 C LYS A 111 3.765 9.606 -1.446 1.00 0.00 C ATOM 1675 O LYS A 111 3.222 9.142 -0.442 1.00 0.00 O ATOM 1676 CB LYS A 111 1.936 10.892 -2.558 1.00 0.00 C ATOM 1677 CG LYS A 111 2.278 12.157 -3.344 1.00 0.00 C ATOM 1678 CD LYS A 111 3.533 12.878 -2.836 1.00 0.00 C ATOM 1679 CE LYS A 111 3.449 14.382 -3.105 1.00 0.00 C ATOM 1680 NZ LYS A 111 3.242 14.689 -4.536 1.00 0.00 N ATOM 0 H LYS A 111 1.286 8.501 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 111 3.594 9.890 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.949 10.549 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.867 11.150 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.419 11.895 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 111 1.432 12.843 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.650 12.702 -1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.416 12.466 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.631 14.807 -2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.366 14.861 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.344 15.713 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.949 14.181 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.288 14.389 -4.821 1.00 0.00 H new ATOM 1694 N LEU A 112 5.005 10.113 -1.436 1.00 0.00 N ATOM 1695 CA LEU A 112 5.769 10.393 -0.212 1.00 0.00 C ATOM 1696 C LEU A 112 5.198 11.655 0.465 1.00 0.00 C ATOM 1697 O LEU A 112 5.893 12.658 0.635 1.00 0.00 O ATOM 1698 CB LEU A 112 7.266 10.557 -0.567 1.00 0.00 C ATOM 1699 CG LEU A 112 8.213 10.712 0.644 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.272 9.452 1.504 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.628 11.032 0.140 1.00 0.00 C ATOM 0 H LEU A 112 5.513 10.344 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 112 5.682 9.565 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.583 9.691 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.378 11.430 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 112 7.822 11.520 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.951 9.614 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.276 9.224 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.631 8.617 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.301 11.143 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.979 10.221 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.610 11.960 -0.431 1.00 0.00 H new ATOM 1713 N ALA A 113 3.902 11.653 0.787 1.00 0.00 N ATOM 1714 CA ALA A 113 3.211 12.790 1.385 1.00 0.00 C ATOM 1715 C ALA A 113 3.263 12.643 2.903 1.00 0.00 C ATOM 1716 O ALA A 113 2.253 12.437 3.585 1.00 0.00 O ATOM 1717 CB ALA A 113 1.780 12.858 0.861 1.00 0.00 C ATOM 0 H ALA A 113 3.296 10.846 0.636 1.00 0.00 H new ATOM 0 HA ALA A 113 3.696 13.727 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.268 13.709 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.794 12.974 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.254 11.939 1.120 1.00 0.00 H new ATOM 1723 N ASP A 114 4.483 12.686 3.421 1.00 0.00 N ATOM 1724 CA ASP A 114 4.848 12.116 4.711 1.00 0.00 C ATOM 1725 C ASP A 114 4.694 13.101 5.870 1.00 0.00 C ATOM 1726 O ASP A 114 5.171 12.838 6.970 1.00 0.00 O ATOM 1727 CB ASP A 114 6.240 11.456 4.602 1.00 0.00 C ATOM 1728 CG ASP A 114 7.449 12.390 4.748 1.00 0.00 C ATOM 1729 OD1 ASP A 114 7.307 13.638 4.793 1.00 0.00 O ATOM 1730 OD2 ASP A 114 8.594 11.879 4.777 1.00 0.00 O ATOM 0 H ASP A 114 5.267 13.130 2.943 1.00 0.00 H new ATOM 0 HA ASP A 114 4.137 11.330 4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.312 10.681 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.308 10.958 3.635 1.00 0.00 H new ATOM 1735 N LEU A 115 3.953 14.184 5.615 1.00 0.00 N ATOM 1736 CA LEU A 115 3.731 15.398 6.395 1.00 0.00 C ATOM 1737 C LEU A 115 4.896 16.384 6.380 1.00 0.00 C ATOM 1738 O LEU A 115 4.860 17.375 7.108 1.00 0.00 O ATOM 1739 CB LEU A 115 3.231 15.120 7.830 1.00 0.00 C ATOM 1740 CG LEU A 115 1.932 14.305 7.934 1.00 0.00 C ATOM 1741 CD1 LEU A 115 1.463 14.259 9.395 1.00 0.00 C ATOM 1742 CD2 LEU A 115 0.831 14.910 7.058 1.00 0.00 C ATOM 0 H LEU A 115 3.428 14.231 4.742 1.00 0.00 H new ATOM 0 HA LEU A 115 2.920 15.899 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.015 14.592 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.082 16.074 8.335 1.00 0.00 H new ATOM 0 HG LEU A 115 2.134 13.294 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.542 13.680 9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.232 13.791 10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.281 15.273 9.751 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.077 14.314 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.629 15.931 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.156 14.916 6.018 1.00 0.00 H new ATOM 1754 N MET A 116 5.881 16.173 5.505 1.00 0.00 N ATOM 1755 CA MET A 116 7.128 16.930 5.394 1.00 0.00 C ATOM 1756 C MET A 116 8.068 16.532 6.528 1.00 0.00 C ATOM 1757 O MET A 116 7.623 16.167 7.617 1.00 0.00 O ATOM 1758 CB MET A 116 6.892 18.454 5.366 1.00 0.00 C ATOM 1759 CG MET A 116 8.017 19.233 4.689 1.00 0.00 C ATOM 1760 SD MET A 116 8.037 19.020 2.895 1.00 0.00 S ATOM 1761 CE MET A 116 9.493 17.981 2.664 1.00 0.00 C ATOM 0 H MET A 116 5.826 15.425 4.814 1.00 0.00 H new ATOM 0 HA MET A 116 7.592 16.680 4.440 1.00 0.00 H new ATOM 0 HB2 MET A 116 5.956 18.659 4.847 1.00 0.00 H new ATOM 0 HB3 MET A 116 6.775 18.814 6.388 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.911 20.292 4.923 1.00 0.00 H new ATOM 0 HG3 MET A 116 8.974 18.910 5.099 1.00 0.00 H new ATOM 0 HE1 MET A 116 9.846 18.072 1.637 1.00 0.00 H new ATOM 0 HE2 MET A 116 10.280 18.300 3.347 1.00 0.00 H new ATOM 0 HE3 MET A 116 9.235 16.942 2.868 1.00 0.00 H new ATOM 1771 N ASN A 117 9.369 16.593 6.239 1.00 0.00 N ATOM 1772 CA ASN A 117 10.440 15.852 6.906 1.00 0.00 C ATOM 1773 C ASN A 117 10.331 15.851 8.431 1.00 0.00 C ATOM 1774 O ASN A 117 10.149 16.926 9.015 1.00 0.00 O ATOM 1775 CB ASN A 117 11.786 16.445 6.471 1.00 0.00 C ATOM 1776 CG ASN A 117 12.910 15.476 6.768 1.00 0.00 C ATOM 1777 OD1 ASN A 117 13.406 15.405 7.882 1.00 0.00 O ATOM 1778 ND2 ASN A 117 13.301 14.684 5.788 1.00 0.00 N ATOM 0 H ASN A 117 9.722 17.193 5.493 1.00 0.00 H new ATOM 0 HA ASN A 117 10.353 14.808 6.604 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.764 16.670 5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.961 17.386 6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.033 13.993 5.952 1.00 0.00 H new ATOM 0 HD22 ASN A 117 12.871 14.763 4.866 1.00 0.00 H new TER 1785 ASN A 117