USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1011 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 63 MET CE :methyl -123:sc= 0 (180deg=-0.255) USER MOD Set 1.2: A 71 THR OG1 : rot 84:sc= 1.21 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 150:sc= 1.28 (180deg=1.22) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.442 (180deg=0.441) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 163:sc= -0.0354 (180deg=-0.172) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0608 X(o=-0.061,f=-0.45) USER MOD Single : A 32 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.06) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 56 SER OG : rot -150:sc= -0.0677 USER MOD Single : A 59 ASN : amide:sc= 0.0602 K(o=0.06,f=-2.9!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0264 X(o=-0.026,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -173:sc= 0 (180deg=-0.0579) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 85 MET CE :methyl -114:sc= -0.064 (180deg=-0.234) USER MOD Single : A 87 THR OG1 : rot 94:sc= 1.52 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.329 K(o=-0.33,f=-1.3!) USER MOD Single : A 100 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.014) USER MOD Single : A 104 SER OG : rot -90:sc= 0.532 USER MOD Single : A 106 TYR OH : rot -4:sc= 1.25 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -115:sc= 0.049 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.52) USER MOD Single : A 122 LYS NZ :NH3+ -160:sc= 1.06 (180deg=0.00389!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -166:sc= -0.0602 (180deg=-0.0875) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.919 -16.966 2.667 1.00 0.00 N ATOM 2 CA MET A 1 20.117 -16.457 4.027 1.00 0.00 C ATOM 3 C MET A 1 18.964 -16.960 4.894 1.00 0.00 C ATOM 4 O MET A 1 19.064 -18.089 5.379 1.00 0.00 O ATOM 5 CB MET A 1 20.393 -14.940 4.028 1.00 0.00 C ATOM 6 CG MET A 1 21.902 -14.678 3.958 1.00 0.00 C ATOM 7 SD MET A 1 22.702 -15.280 2.441 1.00 0.00 S ATOM 8 CE MET A 1 24.449 -15.066 2.863 1.00 0.00 C ATOM 0 H1 MET A 1 20.703 -16.650 2.061 1.00 0.00 H new ATOM 0 H2 MET A 1 19.893 -18.006 2.686 1.00 0.00 H new ATOM 0 H3 MET A 1 19.021 -16.604 2.288 1.00 0.00 H new ATOM 0 HA MET A 1 21.024 -16.849 4.486 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.895 -14.472 3.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.979 -14.488 4.929 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.076 -13.605 4.044 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.380 -15.149 4.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.068 -15.393 2.028 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.647 -14.015 3.071 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.686 -15.661 3.745 1.00 0.00 H new ATOM 20 N ALA A 2 17.869 -16.219 5.101 1.00 0.00 N ATOM 21 CA ALA A 2 16.722 -16.660 5.900 1.00 0.00 C ATOM 22 C ALA A 2 15.442 -15.932 5.458 1.00 0.00 C ATOM 23 O ALA A 2 14.620 -15.534 6.289 1.00 0.00 O ATOM 24 CB ALA A 2 17.025 -16.430 7.388 1.00 0.00 C ATOM 0 H ALA A 2 17.754 -15.283 4.712 1.00 0.00 H new ATOM 0 HA ALA A 2 16.552 -17.725 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.175 -16.756 7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.909 -17.001 7.672 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.206 -15.369 7.563 1.00 0.00 H new ATOM 30 N ASP A 3 15.298 -15.679 4.155 1.00 0.00 N ATOM 31 CA ASP A 3 14.399 -14.662 3.612 1.00 0.00 C ATOM 32 C ASP A 3 13.623 -15.251 2.434 1.00 0.00 C ATOM 33 O ASP A 3 14.043 -16.254 1.850 1.00 0.00 O ATOM 34 CB ASP A 3 15.202 -13.433 3.129 1.00 0.00 C ATOM 35 CG ASP A 3 16.292 -12.974 4.098 1.00 0.00 C ATOM 36 OD1 ASP A 3 17.380 -13.598 4.132 1.00 0.00 O ATOM 37 OD2 ASP A 3 16.070 -12.002 4.846 1.00 0.00 O ATOM 0 H ASP A 3 15.814 -16.186 3.435 1.00 0.00 H new ATOM 0 HA ASP A 3 13.709 -14.348 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.661 -13.668 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.512 -12.607 2.959 1.00 0.00 H new ATOM 42 N LYS A 4 12.511 -14.622 2.047 1.00 0.00 N ATOM 43 CA LYS A 4 11.919 -14.780 0.713 1.00 0.00 C ATOM 44 C LYS A 4 12.464 -13.718 -0.251 1.00 0.00 C ATOM 45 O LYS A 4 12.050 -13.671 -1.408 1.00 0.00 O ATOM 46 CB LYS A 4 10.384 -14.678 0.760 1.00 0.00 C ATOM 47 CG LYS A 4 9.649 -15.799 1.513 1.00 0.00 C ATOM 48 CD LYS A 4 9.678 -15.631 3.038 1.00 0.00 C ATOM 49 CE LYS A 4 8.483 -16.349 3.674 1.00 0.00 C ATOM 50 NZ LYS A 4 8.467 -16.184 5.139 1.00 0.00 N ATOM 0 H LYS A 4 11.992 -13.985 2.652 1.00 0.00 H new ATOM 0 HA LYS A 4 12.193 -15.773 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.118 -13.726 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.011 -14.652 -0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.612 -15.832 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.099 -16.757 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.608 -16.034 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.654 -14.572 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.557 -15.958 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.522 -17.410 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.645 -16.683 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.340 -16.580 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.405 -15.173 5.374 1.00 0.00 H new ATOM 64 N GLU A 5 13.329 -12.816 0.229 1.00 0.00 N ATOM 65 CA GLU A 5 13.649 -11.545 -0.399 1.00 0.00 C ATOM 66 C GLU A 5 12.374 -10.743 -0.722 1.00 0.00 C ATOM 67 O GLU A 5 12.302 -10.042 -1.732 1.00 0.00 O ATOM 68 CB GLU A 5 14.556 -11.800 -1.606 1.00 0.00 C ATOM 69 CG GLU A 5 15.529 -10.644 -1.822 1.00 0.00 C ATOM 70 CD GLU A 5 16.865 -10.887 -1.126 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.639 -11.747 -1.614 1.00 0.00 O ATOM 72 OE2 GLU A 5 17.159 -10.190 -0.131 1.00 0.00 O ATOM 0 H GLU A 5 13.840 -12.965 1.099 1.00 0.00 H new ATOM 0 HA GLU A 5 14.205 -10.910 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.114 -12.724 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.947 -11.937 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.696 -10.505 -2.890 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.086 -9.722 -1.446 1.00 0.00 H new ATOM 79 N LEU A 6 11.354 -10.870 0.131 1.00 0.00 N ATOM 80 CA LEU A 6 10.052 -10.228 0.015 1.00 0.00 C ATOM 81 C LEU A 6 10.215 -8.715 -0.139 1.00 0.00 C ATOM 82 O LEU A 6 10.906 -8.104 0.680 1.00 0.00 O ATOM 83 CB LEU A 6 9.244 -10.572 1.272 1.00 0.00 C ATOM 84 CG LEU A 6 7.852 -9.925 1.246 1.00 0.00 C ATOM 85 CD1 LEU A 6 6.806 -10.958 1.642 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.754 -8.713 2.179 1.00 0.00 C ATOM 0 H LEU A 6 11.423 -11.455 0.963 1.00 0.00 H new ATOM 0 HA LEU A 6 9.527 -10.587 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.141 -11.654 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.785 -10.236 2.156 1.00 0.00 H new ATOM 0 HG LEU A 6 7.674 -9.571 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.817 -10.500 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.833 -11.791 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.018 -11.324 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.750 -8.292 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.961 -9.024 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.481 -7.960 1.875 1.00 0.00 H new ATOM 98 N LYS A 7 9.681 -8.126 -1.213 1.00 0.00 N ATOM 99 CA LYS A 7 9.674 -6.670 -1.406 1.00 0.00 C ATOM 100 C LYS A 7 8.420 -5.974 -0.872 1.00 0.00 C ATOM 101 O LYS A 7 7.382 -6.624 -0.728 1.00 0.00 O ATOM 102 CB LYS A 7 10.102 -6.315 -2.838 1.00 0.00 C ATOM 103 CG LYS A 7 9.063 -5.733 -3.806 1.00 0.00 C ATOM 104 CD LYS A 7 9.781 -5.080 -4.995 1.00 0.00 C ATOM 105 CE LYS A 7 10.547 -6.073 -5.868 1.00 0.00 C ATOM 106 NZ LYS A 7 11.376 -5.387 -6.871 1.00 0.00 N ATOM 0 H LYS A 7 9.241 -8.644 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 7 10.438 -6.235 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.922 -5.600 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.505 -7.219 -3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.397 -6.521 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.444 -4.997 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.047 -4.559 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.475 -4.327 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.180 -6.698 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.842 -6.736 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.214 -5.965 -7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.823 -5.246 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.678 -4.464 -6.499 1.00 0.00 H new ATOM 120 N PHE A 8 8.460 -4.649 -0.705 1.00 0.00 N ATOM 121 CA PHE A 8 7.322 -3.807 -0.326 1.00 0.00 C ATOM 122 C PHE A 8 7.149 -2.711 -1.378 1.00 0.00 C ATOM 123 O PHE A 8 7.988 -1.820 -1.432 1.00 0.00 O ATOM 124 CB PHE A 8 7.589 -3.155 1.046 1.00 0.00 C ATOM 125 CG PHE A 8 6.954 -3.817 2.243 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.388 -5.080 2.678 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.940 -3.142 2.947 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.795 -5.663 3.809 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.355 -3.725 4.083 1.00 0.00 C ATOM 130 CZ PHE A 8 5.791 -4.984 4.520 1.00 0.00 C ATOM 0 H PHE A 8 9.318 -4.113 -0.835 1.00 0.00 H new ATOM 0 HA PHE A 8 6.420 -4.416 -0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.667 -3.125 1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.244 -2.122 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.172 -5.599 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.610 -2.170 2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.113 -6.642 4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.573 -3.206 4.617 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.356 -5.431 5.402 1.00 0.00 H new ATOM 140 N LEU A 9 6.120 -2.736 -2.228 1.00 0.00 N ATOM 141 CA LEU A 9 5.909 -1.632 -3.165 1.00 0.00 C ATOM 142 C LEU A 9 5.174 -0.487 -2.466 1.00 0.00 C ATOM 143 O LEU A 9 4.235 -0.743 -1.709 1.00 0.00 O ATOM 144 CB LEU A 9 5.135 -2.127 -4.390 1.00 0.00 C ATOM 145 CG LEU A 9 5.055 -1.070 -5.505 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.436 -0.719 -6.076 1.00 0.00 C ATOM 147 CD2 LEU A 9 4.143 -1.572 -6.621 1.00 0.00 C ATOM 0 H LEU A 9 5.435 -3.489 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 9 6.873 -1.255 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.614 -3.025 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.126 -2.409 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 9 4.646 -0.160 -5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.326 0.031 -6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.068 -0.323 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.896 -1.615 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.087 -0.822 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.544 -2.500 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.145 -1.753 -6.222 1.00 0.00 H new ATOM 159 N VAL A 10 5.580 0.755 -2.742 1.00 0.00 N ATOM 160 CA VAL A 10 5.095 1.967 -2.089 1.00 0.00 C ATOM 161 C VAL A 10 4.834 3.035 -3.173 1.00 0.00 C ATOM 162 O VAL A 10 5.762 3.477 -3.860 1.00 0.00 O ATOM 163 CB VAL A 10 6.113 2.399 -1.000 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.511 3.468 -0.088 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.566 1.243 -0.085 1.00 0.00 C ATOM 0 H VAL A 10 6.283 0.948 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 10 4.149 1.806 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 10 6.973 2.773 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.242 3.756 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.239 4.341 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.622 3.070 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.276 1.619 0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.700 0.824 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.042 0.468 -0.686 1.00 0.00 H new ATOM 175 N VAL A 11 3.569 3.405 -3.399 1.00 0.00 N ATOM 176 CA VAL A 11 3.123 4.249 -4.515 1.00 0.00 C ATOM 177 C VAL A 11 2.136 5.316 -4.016 1.00 0.00 C ATOM 178 O VAL A 11 1.110 5.597 -4.636 1.00 0.00 O ATOM 179 CB VAL A 11 2.546 3.406 -5.679 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.588 4.213 -6.985 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.289 2.079 -5.889 1.00 0.00 C ATOM 0 H VAL A 11 2.802 3.117 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 11 3.991 4.768 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 11 1.518 3.167 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.180 3.612 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.994 5.120 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.619 4.481 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.836 1.536 -6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.336 2.280 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.223 1.478 -4.982 1.00 0.00 H new ATOM 191 N ASP A 12 2.419 5.906 -2.860 1.00 0.00 N ATOM 192 CA ASP A 12 1.793 7.144 -2.419 1.00 0.00 C ATOM 193 C ASP A 12 2.022 8.229 -3.488 1.00 0.00 C ATOM 194 O ASP A 12 2.997 8.174 -4.247 1.00 0.00 O ATOM 195 CB ASP A 12 2.395 7.615 -1.096 1.00 0.00 C ATOM 196 CG ASP A 12 2.504 6.575 0.024 1.00 0.00 C ATOM 197 OD1 ASP A 12 3.149 5.529 -0.219 1.00 0.00 O ATOM 198 OD2 ASP A 12 2.054 6.881 1.145 1.00 0.00 O ATOM 0 H ASP A 12 3.098 5.533 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 12 0.727 6.966 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.393 8.004 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.796 8.448 -0.728 1.00 0.00 H new ATOM 203 N ASP A 13 1.162 9.242 -3.574 1.00 0.00 N ATOM 204 CA ASP A 13 1.190 10.188 -4.692 1.00 0.00 C ATOM 205 C ASP A 13 2.178 11.316 -4.420 1.00 0.00 C ATOM 206 O ASP A 13 3.000 11.675 -5.266 1.00 0.00 O ATOM 207 CB ASP A 13 -0.211 10.752 -4.921 1.00 0.00 C ATOM 208 CG ASP A 13 -0.267 11.579 -6.198 1.00 0.00 C ATOM 209 OD1 ASP A 13 0.035 12.789 -6.152 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.614 11.016 -7.264 1.00 0.00 O ATOM 0 H ASP A 13 0.436 9.430 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 13 1.516 9.663 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.930 9.935 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.501 11.370 -4.071 1.00 0.00 H new ATOM 215 N PHE A 14 2.116 11.845 -3.204 1.00 0.00 N ATOM 216 CA PHE A 14 3.022 12.829 -2.640 1.00 0.00 C ATOM 217 C PHE A 14 4.365 12.135 -2.392 1.00 0.00 C ATOM 218 O PHE A 14 4.416 11.213 -1.582 1.00 0.00 O ATOM 219 CB PHE A 14 2.345 13.329 -1.352 1.00 0.00 C ATOM 220 CG PHE A 14 3.082 14.351 -0.510 1.00 0.00 C ATOM 221 CD1 PHE A 14 3.410 15.602 -1.062 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.300 14.121 0.866 1.00 0.00 C ATOM 223 CE1 PHE A 14 3.920 16.619 -0.238 1.00 0.00 C ATOM 224 CE2 PHE A 14 3.801 15.143 1.687 1.00 0.00 C ATOM 225 CZ PHE A 14 4.095 16.398 1.136 1.00 0.00 C ATOM 0 H PHE A 14 1.383 11.579 -2.546 1.00 0.00 H new ATOM 0 HA PHE A 14 3.221 13.683 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.380 13.756 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.143 12.462 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.270 15.781 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.080 13.152 1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.179 17.577 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.960 14.963 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.456 17.195 1.769 1.00 0.00 H new ATOM 235 N SER A 15 5.455 12.515 -3.071 1.00 0.00 N ATOM 236 CA SER A 15 6.701 11.749 -2.971 1.00 0.00 C ATOM 237 C SER A 15 7.218 11.685 -1.530 1.00 0.00 C ATOM 238 O SER A 15 7.643 10.613 -1.086 1.00 0.00 O ATOM 239 CB SER A 15 7.772 12.271 -3.937 1.00 0.00 C ATOM 240 OG SER A 15 8.884 11.392 -3.906 1.00 0.00 O ATOM 0 H SER A 15 5.500 13.330 -3.682 1.00 0.00 H new ATOM 0 HA SER A 15 6.470 10.727 -3.273 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.369 12.335 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.079 13.277 -3.652 1.00 0.00 H new ATOM 0 HG SER A 15 9.574 11.716 -4.522 1.00 0.00 H new ATOM 246 N THR A 16 7.122 12.777 -0.763 1.00 0.00 N ATOM 247 CA THR A 16 7.478 12.775 0.651 1.00 0.00 C ATOM 248 C THR A 16 6.712 11.694 1.420 1.00 0.00 C ATOM 249 O THR A 16 7.264 11.096 2.337 1.00 0.00 O ATOM 250 CB THR A 16 7.218 14.162 1.246 1.00 0.00 C ATOM 251 OG1 THR A 16 7.963 15.131 0.539 1.00 0.00 O ATOM 252 CG2 THR A 16 7.592 14.214 2.728 1.00 0.00 C ATOM 0 H THR A 16 6.797 13.680 -1.108 1.00 0.00 H new ATOM 0 HA THR A 16 8.539 12.541 0.743 1.00 0.00 H new ATOM 0 HB THR A 16 6.152 14.372 1.156 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.793 16.017 0.921 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.395 15.212 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.998 13.485 3.279 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.651 13.981 2.844 1.00 0.00 H new ATOM 260 N MET A 17 5.479 11.374 1.030 1.00 0.00 N ATOM 261 CA MET A 17 4.729 10.288 1.633 1.00 0.00 C ATOM 262 C MET A 17 5.478 8.964 1.439 1.00 0.00 C ATOM 263 O MET A 17 5.632 8.229 2.405 1.00 0.00 O ATOM 264 CB MET A 17 3.333 10.240 1.013 1.00 0.00 C ATOM 265 CG MET A 17 2.241 9.761 1.958 1.00 0.00 C ATOM 266 SD MET A 17 1.556 11.065 3.016 1.00 0.00 S ATOM 267 CE MET A 17 0.275 11.686 1.886 1.00 0.00 C ATOM 0 H MET A 17 4.978 11.863 0.288 1.00 0.00 H new ATOM 0 HA MET A 17 4.625 10.454 2.705 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.074 11.236 0.653 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.358 9.583 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.434 9.322 1.371 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.643 8.969 2.590 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.449 12.278 2.446 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.737 12.308 1.119 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.232 10.845 1.414 1.00 0.00 H new ATOM 277 N ARG A 18 6.050 8.689 0.253 1.00 0.00 N ATOM 278 CA ARG A 18 6.857 7.477 0.035 1.00 0.00 C ATOM 279 C ARG A 18 8.133 7.512 0.862 1.00 0.00 C ATOM 280 O ARG A 18 8.594 6.455 1.304 1.00 0.00 O ATOM 281 CB ARG A 18 7.189 7.289 -1.463 1.00 0.00 C ATOM 282 CG ARG A 18 6.090 6.492 -2.175 1.00 0.00 C ATOM 283 CD ARG A 18 5.711 7.018 -3.557 1.00 0.00 C ATOM 284 NE ARG A 18 6.616 6.608 -4.642 1.00 0.00 N ATOM 285 CZ ARG A 18 7.301 7.445 -5.431 1.00 0.00 C ATOM 286 NH1 ARG A 18 7.669 8.639 -4.978 1.00 0.00 N ATOM 287 NH2 ARG A 18 7.596 7.096 -6.676 1.00 0.00 N ATOM 0 H ARG A 18 5.968 9.289 -0.568 1.00 0.00 H new ATOM 0 HA ARG A 18 6.262 6.624 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.303 8.263 -1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.143 6.771 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.417 5.457 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.199 6.487 -1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.703 6.679 -3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.680 8.107 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 18 6.731 5.608 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.430 8.920 -4.027 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.191 9.275 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.301 6.188 -7.035 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.118 7.736 -7.275 1.00 0.00 H new ATOM 301 N ARG A 19 8.727 8.696 1.063 1.00 0.00 N ATOM 302 CA ARG A 19 9.891 8.844 1.936 1.00 0.00 C ATOM 303 C ARG A 19 9.482 8.390 3.331 1.00 0.00 C ATOM 304 O ARG A 19 10.072 7.446 3.852 1.00 0.00 O ATOM 305 CB ARG A 19 10.464 10.275 1.975 1.00 0.00 C ATOM 306 CG ARG A 19 11.453 10.618 0.855 1.00 0.00 C ATOM 307 CD ARG A 19 10.827 10.638 -0.540 1.00 0.00 C ATOM 308 NE ARG A 19 11.874 10.521 -1.565 1.00 0.00 N ATOM 309 CZ ARG A 19 11.837 9.632 -2.560 1.00 0.00 C ATOM 310 NH1 ARG A 19 10.668 9.197 -3.011 1.00 0.00 N ATOM 311 NH2 ARG A 19 12.969 9.165 -3.068 1.00 0.00 N ATOM 0 H ARG A 19 8.417 9.566 0.630 1.00 0.00 H new ATOM 0 HA ARG A 19 10.697 8.229 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.635 10.981 1.933 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.961 10.423 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.893 11.594 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.266 9.892 0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.116 9.818 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.269 11.563 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 19 12.672 11.154 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.802 9.542 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.635 8.518 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.864 9.485 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.945 8.486 -3.828 1.00 0.00 H new ATOM 325 N ILE A 20 8.462 9.040 3.896 1.00 0.00 N ATOM 326 CA ILE A 20 7.889 8.759 5.200 1.00 0.00 C ATOM 327 C ILE A 20 7.552 7.268 5.287 1.00 0.00 C ATOM 328 O ILE A 20 8.164 6.591 6.098 1.00 0.00 O ATOM 329 CB ILE A 20 6.739 9.758 5.501 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.248 11.020 6.241 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.633 9.167 6.383 1.00 0.00 C ATOM 332 CD1 ILE A 20 8.366 11.797 5.540 1.00 0.00 C ATOM 0 H ILE A 20 7.994 9.815 3.426 1.00 0.00 H new ATOM 0 HA ILE A 20 8.597 8.930 6.010 1.00 0.00 H new ATOM 0 HB ILE A 20 6.340 10.003 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.405 11.693 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.602 10.722 7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.863 9.919 6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.193 8.303 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.056 8.858 7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.645 12.660 6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.233 11.149 5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.017 12.136 4.565 1.00 0.00 H new ATOM 344 N VAL A 21 6.645 6.720 4.480 1.00 0.00 N ATOM 345 CA VAL A 21 6.196 5.335 4.592 1.00 0.00 C ATOM 346 C VAL A 21 7.380 4.364 4.573 1.00 0.00 C ATOM 347 O VAL A 21 7.435 3.482 5.431 1.00 0.00 O ATOM 348 CB VAL A 21 5.140 5.030 3.507 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.774 3.540 3.428 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.846 5.796 3.808 1.00 0.00 C ATOM 0 H VAL A 21 6.196 7.233 3.721 1.00 0.00 H new ATOM 0 HA VAL A 21 5.712 5.192 5.558 1.00 0.00 H new ATOM 0 HB VAL A 21 5.585 5.335 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.028 3.389 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.666 2.958 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.368 3.214 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.106 5.576 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.460 5.491 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.051 6.866 3.819 1.00 0.00 H new ATOM 360 N ARG A 22 8.353 4.507 3.665 1.00 0.00 N ATOM 361 CA ARG A 22 9.504 3.622 3.647 1.00 0.00 C ATOM 362 C ARG A 22 10.360 3.789 4.904 1.00 0.00 C ATOM 363 O ARG A 22 10.834 2.791 5.448 1.00 0.00 O ATOM 364 CB ARG A 22 10.279 3.930 2.370 1.00 0.00 C ATOM 365 CG ARG A 22 9.594 3.316 1.135 1.00 0.00 C ATOM 366 CD ARG A 22 10.303 3.583 -0.198 1.00 0.00 C ATOM 367 NE ARG A 22 10.803 4.962 -0.303 1.00 0.00 N ATOM 368 CZ ARG A 22 11.877 5.329 -1.013 1.00 0.00 C ATOM 369 NH1 ARG A 22 12.446 4.488 -1.869 1.00 0.00 N ATOM 370 NH2 ARG A 22 12.416 6.528 -0.837 1.00 0.00 N ATOM 0 H ARG A 22 8.359 5.225 2.941 1.00 0.00 H new ATOM 0 HA ARG A 22 9.192 2.578 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.361 5.010 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.294 3.542 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.517 2.238 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.577 3.703 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.136 2.888 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.613 3.387 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 22 10.296 5.690 0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.065 3.550 -1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.264 4.780 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.012 7.174 -0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.234 6.804 -1.380 1.00 0.00 H new ATOM 384 N ASN A 23 10.570 5.023 5.363 1.00 0.00 N ATOM 385 CA ASN A 23 11.291 5.334 6.593 1.00 0.00 C ATOM 386 C ASN A 23 10.603 4.642 7.777 1.00 0.00 C ATOM 387 O ASN A 23 11.236 3.836 8.456 1.00 0.00 O ATOM 388 CB ASN A 23 11.377 6.865 6.748 1.00 0.00 C ATOM 389 CG ASN A 23 12.300 7.367 7.848 1.00 0.00 C ATOM 390 OD1 ASN A 23 12.894 6.614 8.618 1.00 0.00 O ATOM 391 ND2 ASN A 23 12.466 8.677 7.903 1.00 0.00 N ATOM 0 H ASN A 23 10.234 5.854 4.876 1.00 0.00 H new ATOM 0 HA ASN A 23 12.312 4.955 6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.708 7.289 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.375 7.249 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.097 9.083 8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.963 9.282 7.254 1.00 0.00 H new ATOM 398 N LEU A 24 9.297 4.877 7.957 1.00 0.00 N ATOM 399 CA LEU A 24 8.428 4.277 8.972 1.00 0.00 C ATOM 400 C LEU A 24 8.533 2.753 8.945 1.00 0.00 C ATOM 401 O LEU A 24 8.707 2.130 9.989 1.00 0.00 O ATOM 402 CB LEU A 24 6.958 4.688 8.774 1.00 0.00 C ATOM 403 CG LEU A 24 6.623 6.182 8.954 1.00 0.00 C ATOM 404 CD1 LEU A 24 5.126 6.360 8.668 1.00 0.00 C ATOM 405 CD2 LEU A 24 7.003 6.745 10.324 1.00 0.00 C ATOM 0 H LEU A 24 8.790 5.531 7.361 1.00 0.00 H new ATOM 0 HA LEU A 24 8.766 4.647 9.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.654 4.390 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.348 4.117 9.474 1.00 0.00 H new ATOM 0 HG LEU A 24 7.227 6.757 8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.855 7.409 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.910 6.043 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.548 5.755 9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.735 7.801 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.469 6.200 11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.077 6.636 10.477 1.00 0.00 H new ATOM 417 N LEU A 25 8.431 2.146 7.760 1.00 0.00 N ATOM 418 CA LEU A 25 8.552 0.703 7.586 1.00 0.00 C ATOM 419 C LEU A 25 9.886 0.204 8.121 1.00 0.00 C ATOM 420 O LEU A 25 9.903 -0.809 8.823 1.00 0.00 O ATOM 421 CB LEU A 25 8.376 0.318 6.107 1.00 0.00 C ATOM 422 CG LEU A 25 6.890 0.172 5.741 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.667 0.353 4.240 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.364 -1.206 6.158 1.00 0.00 C ATOM 0 H LEU A 25 8.261 2.650 6.889 1.00 0.00 H new ATOM 0 HA LEU A 25 7.759 0.223 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.836 1.077 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.895 -0.620 5.909 1.00 0.00 H new ATOM 0 HG LEU A 25 6.348 0.951 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.606 0.244 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.002 1.346 3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.234 -0.401 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.311 -1.290 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.931 -1.983 5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.475 -1.327 7.236 1.00 0.00 H new ATOM 436 N LYS A 26 10.992 0.898 7.831 1.00 0.00 N ATOM 437 CA LYS A 26 12.293 0.470 8.349 1.00 0.00 C ATOM 438 C LYS A 26 12.489 0.842 9.824 1.00 0.00 C ATOM 439 O LYS A 26 13.331 0.218 10.468 1.00 0.00 O ATOM 440 CB LYS A 26 13.447 0.931 7.444 1.00 0.00 C ATOM 441 CG LYS A 26 13.218 0.614 5.951 1.00 0.00 C ATOM 442 CD LYS A 26 14.405 -0.011 5.209 1.00 0.00 C ATOM 443 CE LYS A 26 15.556 0.993 5.105 1.00 0.00 C ATOM 444 NZ LYS A 26 16.569 0.610 4.102 1.00 0.00 N ATOM 0 H LYS A 26 11.013 1.739 7.254 1.00 0.00 H new ATOM 0 HA LYS A 26 12.306 -0.620 8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.585 2.006 7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.370 0.453 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.367 -0.062 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.942 1.537 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.740 -0.906 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.095 -0.324 4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.153 1.973 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.036 1.089 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.322 1.327 4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.977 -0.312 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.122 0.545 3.165 1.00 0.00 H new ATOM 458 N GLU A 27 11.707 1.768 10.399 1.00 0.00 N ATOM 459 CA GLU A 27 11.665 1.929 11.858 1.00 0.00 C ATOM 460 C GLU A 27 11.107 0.656 12.490 1.00 0.00 C ATOM 461 O GLU A 27 11.626 0.182 13.500 1.00 0.00 O ATOM 462 CB GLU A 27 10.815 3.120 12.350 1.00 0.00 C ATOM 463 CG GLU A 27 11.155 4.464 11.695 1.00 0.00 C ATOM 464 CD GLU A 27 10.813 5.705 12.527 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.872 5.641 13.776 1.00 0.00 O ATOM 466 OE2 GLU A 27 10.564 6.776 11.931 1.00 0.00 O ATOM 0 H GLU A 27 11.103 2.408 9.883 1.00 0.00 H new ATOM 0 HA GLU A 27 12.693 2.128 12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.764 2.898 12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.938 3.216 13.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.222 4.480 11.471 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.628 4.529 10.743 1.00 0.00 H new ATOM 473 N LEU A 28 10.037 0.101 11.912 1.00 0.00 N ATOM 474 CA LEU A 28 9.455 -1.151 12.386 1.00 0.00 C ATOM 475 C LEU A 28 10.393 -2.319 12.104 1.00 0.00 C ATOM 476 O LEU A 28 10.507 -3.217 12.935 1.00 0.00 O ATOM 477 CB LEU A 28 8.086 -1.403 11.741 1.00 0.00 C ATOM 478 CG LEU A 28 7.036 -0.333 12.076 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.737 -0.697 11.363 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.783 -0.215 13.583 1.00 0.00 C ATOM 0 H LEU A 28 9.556 0.506 11.109 1.00 0.00 H new ATOM 0 HA LEU A 28 9.314 -1.067 13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.208 -1.452 10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.716 -2.376 12.065 1.00 0.00 H new ATOM 0 HG LEU A 28 7.411 0.634 11.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.977 0.051 11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.909 -0.728 10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.396 -1.675 11.704 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.033 0.555 13.767 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.425 -1.170 13.968 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.711 0.054 14.088 1.00 0.00 H new ATOM 492 N GLY A 29 11.078 -2.292 10.959 1.00 0.00 N ATOM 493 CA GLY A 29 12.101 -3.253 10.578 1.00 0.00 C ATOM 494 C GLY A 29 11.787 -4.012 9.296 1.00 0.00 C ATOM 495 O GLY A 29 12.538 -4.922 8.947 1.00 0.00 O ATOM 0 H GLY A 29 10.926 -1.574 10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.050 -2.730 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.234 -3.969 11.389 1.00 0.00 H new ATOM 499 N PHE A 30 10.713 -3.675 8.572 1.00 0.00 N ATOM 500 CA PHE A 30 10.594 -4.136 7.193 1.00 0.00 C ATOM 501 C PHE A 30 11.638 -3.423 6.341 1.00 0.00 C ATOM 502 O PHE A 30 12.084 -2.329 6.677 1.00 0.00 O ATOM 503 CB PHE A 30 9.179 -3.914 6.647 1.00 0.00 C ATOM 504 CG PHE A 30 8.233 -5.043 6.998 1.00 0.00 C ATOM 505 CD1 PHE A 30 8.485 -6.340 6.508 1.00 0.00 C ATOM 506 CD2 PHE A 30 7.098 -4.809 7.793 1.00 0.00 C ATOM 507 CE1 PHE A 30 7.603 -7.394 6.803 1.00 0.00 C ATOM 508 CE2 PHE A 30 6.222 -5.869 8.088 1.00 0.00 C ATOM 509 CZ PHE A 30 6.470 -7.160 7.594 1.00 0.00 C ATOM 0 H PHE A 30 9.939 -3.103 8.908 1.00 0.00 H new ATOM 0 HA PHE A 30 10.775 -5.210 7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.784 -2.978 7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.225 -3.808 5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.360 -6.525 5.903 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.899 -3.819 8.176 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.799 -8.385 6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.351 -5.689 8.700 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.791 -7.968 7.822 1.00 0.00 H new ATOM 519 N ASN A 31 12.024 -4.026 5.223 1.00 0.00 N ATOM 520 CA ASN A 31 13.004 -3.483 4.294 1.00 0.00 C ATOM 521 C ASN A 31 12.661 -3.977 2.887 1.00 0.00 C ATOM 522 O ASN A 31 11.558 -4.473 2.660 1.00 0.00 O ATOM 523 CB ASN A 31 14.431 -3.865 4.738 1.00 0.00 C ATOM 524 CG ASN A 31 14.795 -5.298 4.368 1.00 0.00 C ATOM 525 OD1 ASN A 31 14.055 -6.234 4.643 1.00 0.00 O ATOM 526 ND2 ASN A 31 15.926 -5.497 3.716 1.00 0.00 N ATOM 0 H ASN A 31 11.653 -4.930 4.931 1.00 0.00 H new ATOM 0 HA ASN A 31 12.972 -2.393 4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.146 -3.182 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.518 -3.739 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.193 -6.440 3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 31 16.532 -4.707 3.494 1.00 0.00 H new ATOM 533 N ASN A 32 13.584 -3.799 1.935 1.00 0.00 N ATOM 534 CA ASN A 32 13.412 -4.138 0.523 1.00 0.00 C ATOM 535 C ASN A 32 12.168 -3.456 -0.063 1.00 0.00 C ATOM 536 O ASN A 32 11.421 -4.022 -0.861 1.00 0.00 O ATOM 537 CB ASN A 32 13.453 -5.663 0.318 1.00 0.00 C ATOM 538 CG ASN A 32 13.569 -6.054 -1.151 1.00 0.00 C ATOM 539 OD1 ASN A 32 14.160 -5.345 -1.962 1.00 0.00 O ATOM 540 ND2 ASN A 32 13.039 -7.199 -1.531 1.00 0.00 N ATOM 0 H ASN A 32 14.501 -3.401 2.136 1.00 0.00 H new ATOM 0 HA ASN A 32 14.253 -3.741 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.298 -6.077 0.868 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.550 -6.107 0.738 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.118 -7.500 -2.502 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.549 -7.784 -0.854 1.00 0.00 H new ATOM 547 N VAL A 33 11.920 -2.216 0.359 1.00 0.00 N ATOM 548 CA VAL A 33 10.883 -1.384 -0.230 1.00 0.00 C ATOM 549 C VAL A 33 11.243 -1.039 -1.680 1.00 0.00 C ATOM 550 O VAL A 33 12.417 -1.024 -2.056 1.00 0.00 O ATOM 551 CB VAL A 33 10.626 -0.119 0.609 1.00 0.00 C ATOM 552 CG1 VAL A 33 9.756 -0.411 1.843 1.00 0.00 C ATOM 553 CG2 VAL A 33 11.928 0.569 1.049 1.00 0.00 C ATOM 0 H VAL A 33 12.433 -1.766 1.117 1.00 0.00 H new ATOM 0 HA VAL A 33 9.951 -1.950 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 33 10.085 0.562 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.601 0.510 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.792 -0.808 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.257 -1.143 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 33 11.690 1.455 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.518 -0.120 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.501 0.861 0.169 1.00 0.00 H new ATOM 563 N GLU A 34 10.244 -0.688 -2.475 1.00 0.00 N ATOM 564 CA GLU A 34 10.317 -0.303 -3.872 1.00 0.00 C ATOM 565 C GLU A 34 9.334 0.845 -4.083 1.00 0.00 C ATOM 566 O GLU A 34 8.440 1.056 -3.259 1.00 0.00 O ATOM 567 CB GLU A 34 9.931 -1.512 -4.739 1.00 0.00 C ATOM 568 CG GLU A 34 10.791 -1.704 -5.995 1.00 0.00 C ATOM 569 CD GLU A 34 12.254 -2.020 -5.674 1.00 0.00 C ATOM 570 OE1 GLU A 34 13.055 -1.082 -5.453 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.586 -3.227 -5.662 1.00 0.00 O ATOM 0 H GLU A 34 9.285 -0.664 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 34 11.322 0.015 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.996 -2.414 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.889 -1.406 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.373 -2.513 -6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.745 -0.800 -6.602 1.00 0.00 H new ATOM 578 N GLU A 35 9.428 1.532 -5.216 1.00 0.00 N ATOM 579 CA GLU A 35 8.451 2.534 -5.615 1.00 0.00 C ATOM 580 C GLU A 35 7.998 2.227 -7.038 1.00 0.00 C ATOM 581 O GLU A 35 8.759 1.655 -7.827 1.00 0.00 O ATOM 582 CB GLU A 35 9.048 3.947 -5.557 1.00 0.00 C ATOM 583 CG GLU A 35 9.599 4.399 -4.195 1.00 0.00 C ATOM 584 CD GLU A 35 10.582 5.558 -4.378 1.00 0.00 C ATOM 585 OE1 GLU A 35 11.708 5.316 -4.877 1.00 0.00 O ATOM 586 OE2 GLU A 35 10.267 6.714 -4.032 1.00 0.00 O ATOM 0 H GLU A 35 10.188 1.408 -5.885 1.00 0.00 H new ATOM 0 HA GLU A 35 7.606 2.500 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.853 4.008 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.280 4.656 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.778 4.708 -3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.098 3.565 -3.702 1.00 0.00 H new ATOM 593 N ALA A 36 6.794 2.680 -7.380 1.00 0.00 N ATOM 594 CA ALA A 36 6.333 2.845 -8.750 1.00 0.00 C ATOM 595 C ALA A 36 6.140 4.341 -8.989 1.00 0.00 C ATOM 596 O ALA A 36 6.129 5.124 -8.032 1.00 0.00 O ATOM 597 CB ALA A 36 5.017 2.089 -8.946 1.00 0.00 C ATOM 0 H ALA A 36 6.094 2.949 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 36 7.056 2.443 -9.460 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.675 2.215 -9.973 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.172 1.029 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.265 2.484 -8.262 1.00 0.00 H new ATOM 603 N GLU A 37 5.963 4.740 -10.243 1.00 0.00 N ATOM 604 CA GLU A 37 5.617 6.101 -10.614 1.00 0.00 C ATOM 605 C GLU A 37 4.222 6.480 -10.112 1.00 0.00 C ATOM 606 O GLU A 37 4.022 7.609 -9.659 1.00 0.00 O ATOM 607 CB GLU A 37 5.646 6.229 -12.140 1.00 0.00 C ATOM 608 CG GLU A 37 6.980 5.801 -12.753 1.00 0.00 C ATOM 609 CD GLU A 37 7.066 6.160 -14.238 1.00 0.00 C ATOM 610 OE1 GLU A 37 6.220 5.682 -15.028 1.00 0.00 O ATOM 611 OE2 GLU A 37 7.982 6.916 -14.637 1.00 0.00 O ATOM 0 H GLU A 37 6.058 4.113 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 37 6.343 6.773 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.846 5.622 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.442 7.264 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.797 6.281 -12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.107 4.725 -12.631 1.00 0.00 H new ATOM 618 N ASP A 38 3.240 5.583 -10.244 1.00 0.00 N ATOM 619 CA ASP A 38 1.816 5.853 -10.015 1.00 0.00 C ATOM 620 C ASP A 38 1.054 4.529 -10.032 1.00 0.00 C ATOM 621 O ASP A 38 1.656 3.512 -10.366 1.00 0.00 O ATOM 622 CB ASP A 38 1.259 6.781 -11.110 1.00 0.00 C ATOM 623 CG ASP A 38 0.562 7.970 -10.466 1.00 0.00 C ATOM 624 OD1 ASP A 38 -0.365 7.756 -9.660 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.963 9.124 -10.744 1.00 0.00 O ATOM 0 H ASP A 38 3.419 4.618 -10.522 1.00 0.00 H new ATOM 0 HA ASP A 38 1.695 6.345 -9.050 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.068 7.126 -11.754 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.559 6.235 -11.742 1.00 0.00 H new ATOM 630 N GLY A 39 -0.247 4.504 -9.723 1.00 0.00 N ATOM 631 CA GLY A 39 -1.046 3.267 -9.676 1.00 0.00 C ATOM 632 C GLY A 39 -0.978 2.446 -10.976 1.00 0.00 C ATOM 633 O GLY A 39 -0.809 1.219 -10.956 1.00 0.00 O ATOM 0 H GLY A 39 -0.781 5.343 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.699 2.650 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.085 3.522 -9.470 1.00 0.00 H new ATOM 637 N VAL A 40 -1.044 3.147 -12.112 1.00 0.00 N ATOM 638 CA VAL A 40 -0.890 2.584 -13.450 1.00 0.00 C ATOM 639 C VAL A 40 0.396 1.745 -13.513 1.00 0.00 C ATOM 640 O VAL A 40 0.346 0.578 -13.914 1.00 0.00 O ATOM 641 CB VAL A 40 -0.933 3.728 -14.493 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.570 3.237 -15.899 1.00 0.00 C ATOM 643 CG2 VAL A 40 -2.328 4.385 -14.552 1.00 0.00 C ATOM 0 H VAL A 40 -1.211 4.153 -12.122 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.712 1.908 -13.686 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.194 4.460 -14.167 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.613 4.072 -16.598 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.438 2.822 -15.891 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.277 2.467 -16.209 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.323 5.184 -15.294 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.071 3.637 -14.829 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.577 4.799 -13.575 1.00 0.00 H new ATOM 653 N ASP A 41 1.525 2.320 -13.090 1.00 0.00 N ATOM 654 CA ASP A 41 2.812 1.635 -13.034 1.00 0.00 C ATOM 655 C ASP A 41 2.825 0.579 -11.929 1.00 0.00 C ATOM 656 O ASP A 41 3.405 -0.489 -12.114 1.00 0.00 O ATOM 657 CB ASP A 41 3.941 2.652 -12.807 1.00 0.00 C ATOM 658 CG ASP A 41 5.319 1.990 -12.768 1.00 0.00 C ATOM 659 OD1 ASP A 41 5.580 1.031 -13.524 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.202 2.460 -12.012 1.00 0.00 O ATOM 0 H ASP A 41 1.568 3.289 -12.773 1.00 0.00 H new ATOM 0 HA ASP A 41 2.971 1.131 -13.987 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.921 3.397 -13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.768 3.181 -11.870 1.00 0.00 H new ATOM 665 N ALA A 42 2.158 0.835 -10.794 1.00 0.00 N ATOM 666 CA ALA A 42 2.120 -0.047 -9.647 1.00 0.00 C ATOM 667 C ALA A 42 1.678 -1.425 -10.087 1.00 0.00 C ATOM 668 O ALA A 42 2.389 -2.378 -9.784 1.00 0.00 O ATOM 669 CB ALA A 42 1.203 0.495 -8.546 1.00 0.00 C ATOM 0 H ALA A 42 1.618 1.690 -10.658 1.00 0.00 H new ATOM 0 HA ALA A 42 3.123 -0.107 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.201 -0.195 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.565 1.469 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.189 0.597 -8.934 1.00 0.00 H new ATOM 675 N LEU A 43 0.570 -1.531 -10.834 1.00 0.00 N ATOM 676 CA LEU A 43 0.115 -2.844 -11.310 1.00 0.00 C ATOM 677 C LEU A 43 1.219 -3.579 -12.080 1.00 0.00 C ATOM 678 O LEU A 43 1.503 -4.756 -11.824 1.00 0.00 O ATOM 679 CB LEU A 43 -1.135 -2.708 -12.193 1.00 0.00 C ATOM 680 CG LEU A 43 -1.784 -4.082 -12.469 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.736 -4.473 -11.333 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.546 -4.058 -13.795 1.00 0.00 C ATOM 0 H LEU A 43 -0.015 -0.744 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.138 -3.433 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.858 -2.054 -11.704 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.865 -2.235 -13.137 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.987 -4.823 -12.529 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.181 -5.444 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.181 -4.529 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.523 -3.725 -11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.997 -5.034 -13.973 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.328 -3.300 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.857 -3.823 -14.606 1.00 0.00 H new ATOM 694 N ASN A 44 1.849 -2.884 -13.028 1.00 0.00 N ATOM 695 CA ASN A 44 2.867 -3.488 -13.875 1.00 0.00 C ATOM 696 C ASN A 44 4.113 -3.882 -13.077 1.00 0.00 C ATOM 697 O ASN A 44 4.800 -4.840 -13.433 1.00 0.00 O ATOM 698 CB ASN A 44 3.241 -2.549 -15.026 1.00 0.00 C ATOM 699 CG ASN A 44 4.046 -3.336 -16.044 1.00 0.00 C ATOM 700 OD1 ASN A 44 3.555 -4.318 -16.590 1.00 0.00 O ATOM 701 ND2 ASN A 44 5.260 -2.941 -16.361 1.00 0.00 N ATOM 0 H ASN A 44 1.668 -1.900 -13.225 1.00 0.00 H new ATOM 0 HA ASN A 44 2.442 -4.401 -14.292 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.343 -2.139 -15.488 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.822 -1.705 -14.654 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.796 -3.452 -17.063 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.666 -2.124 -15.905 1.00 0.00 H new ATOM 708 N LYS A 45 4.404 -3.179 -11.978 1.00 0.00 N ATOM 709 CA LYS A 45 5.427 -3.577 -11.015 1.00 0.00 C ATOM 710 C LYS A 45 5.020 -4.899 -10.359 1.00 0.00 C ATOM 711 O LYS A 45 5.853 -5.802 -10.309 1.00 0.00 O ATOM 712 CB LYS A 45 5.686 -2.454 -9.994 1.00 0.00 C ATOM 713 CG LYS A 45 6.239 -1.157 -10.620 1.00 0.00 C ATOM 714 CD LYS A 45 7.769 -1.126 -10.608 1.00 0.00 C ATOM 715 CE LYS A 45 8.378 0.093 -11.310 1.00 0.00 C ATOM 716 NZ LYS A 45 8.052 0.129 -12.746 1.00 0.00 N ATOM 0 H LYS A 45 3.930 -2.310 -11.733 1.00 0.00 H new ATOM 0 HA LYS A 45 6.375 -3.741 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.755 -2.227 -9.474 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.391 -2.813 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.882 -1.068 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.854 -0.297 -10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.114 -1.146 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.143 -2.031 -11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.014 1.004 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.461 0.079 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.512 0.951 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.391 -0.742 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.022 0.204 -12.866 1.00 0.00 H new ATOM 730 N LEU A 46 3.764 -5.058 -9.905 1.00 0.00 N ATOM 731 CA LEU A 46 3.307 -6.309 -9.275 1.00 0.00 C ATOM 732 C LEU A 46 3.499 -7.487 -10.219 1.00 0.00 C ATOM 733 O LEU A 46 3.916 -8.559 -9.776 1.00 0.00 O ATOM 734 CB LEU A 46 1.817 -6.310 -8.871 1.00 0.00 C ATOM 735 CG LEU A 46 1.257 -5.009 -8.322 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.226 -5.152 -8.046 1.00 0.00 C ATOM 737 CD2 LEU A 46 1.958 -4.483 -7.076 1.00 0.00 C ATOM 0 H LEU A 46 3.047 -4.335 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 46 3.913 -6.394 -8.373 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.228 -6.592 -9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.668 -7.087 -8.121 1.00 0.00 H new ATOM 0 HG LEU A 46 1.440 -4.270 -9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.615 -4.213 -7.653 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.746 -5.401 -8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.385 -5.945 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.488 -3.552 -6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.879 -5.219 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.009 -4.301 -7.299 1.00 0.00 H new ATOM 749 N GLN A 47 3.187 -7.295 -11.507 1.00 0.00 N ATOM 750 CA GLN A 47 3.272 -8.352 -12.518 1.00 0.00 C ATOM 751 C GLN A 47 4.701 -8.841 -12.807 1.00 0.00 C ATOM 752 O GLN A 47 4.885 -9.699 -13.677 1.00 0.00 O ATOM 753 CB GLN A 47 2.548 -7.929 -13.807 1.00 0.00 C ATOM 754 CG GLN A 47 1.027 -7.816 -13.624 1.00 0.00 C ATOM 755 CD GLN A 47 0.313 -7.731 -14.975 1.00 0.00 C ATOM 756 OE1 GLN A 47 0.773 -7.062 -15.899 1.00 0.00 O ATOM 757 NE2 GLN A 47 -0.800 -8.418 -15.153 1.00 0.00 N ATOM 0 H GLN A 47 2.868 -6.399 -11.876 1.00 0.00 H new ATOM 0 HA GLN A 47 2.762 -9.215 -12.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.942 -6.969 -14.141 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.762 -8.653 -14.593 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.660 -8.679 -13.069 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.794 -6.932 -13.030 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.184 -8.974 -14.389 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.276 -8.393 -16.055 1.00 0.00 H new ATOM 766 N ALA A 48 5.720 -8.341 -12.106 1.00 0.00 N ATOM 767 CA ALA A 48 6.984 -9.047 -11.992 1.00 0.00 C ATOM 768 C ALA A 48 6.745 -10.279 -11.100 1.00 0.00 C ATOM 769 O ALA A 48 6.382 -11.345 -11.599 1.00 0.00 O ATOM 770 CB ALA A 48 8.060 -8.102 -11.450 1.00 0.00 C ATOM 0 H ALA A 48 5.688 -7.450 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 48 7.350 -9.390 -12.960 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.006 -8.637 -11.367 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.179 -7.258 -12.130 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.762 -7.737 -10.467 1.00 0.00 H new ATOM 776 N GLY A 49 6.889 -10.127 -9.783 1.00 0.00 N ATOM 777 CA GLY A 49 6.797 -11.202 -8.803 1.00 0.00 C ATOM 778 C GLY A 49 7.719 -10.949 -7.609 1.00 0.00 C ATOM 779 O GLY A 49 8.617 -10.104 -7.679 1.00 0.00 O ATOM 0 H GLY A 49 7.079 -9.220 -9.358 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.768 -11.294 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.060 -12.149 -9.274 1.00 0.00 H new ATOM 783 N GLY A 50 7.511 -11.666 -6.502 1.00 0.00 N ATOM 784 CA GLY A 50 8.202 -11.430 -5.228 1.00 0.00 C ATOM 785 C GLY A 50 7.716 -10.167 -4.502 1.00 0.00 C ATOM 786 O GLY A 50 8.387 -9.670 -3.593 1.00 0.00 O ATOM 0 H GLY A 50 6.847 -12.440 -6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.058 -12.293 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.273 -11.346 -5.413 1.00 0.00 H new ATOM 790 N TYR A 51 6.574 -9.614 -4.915 1.00 0.00 N ATOM 791 CA TYR A 51 5.966 -8.442 -4.310 1.00 0.00 C ATOM 792 C TYR A 51 5.211 -8.925 -3.087 1.00 0.00 C ATOM 793 O TYR A 51 4.302 -9.743 -3.204 1.00 0.00 O ATOM 794 CB TYR A 51 5.077 -7.696 -5.323 1.00 0.00 C ATOM 795 CG TYR A 51 5.893 -6.841 -6.280 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.823 -7.445 -7.141 1.00 0.00 C ATOM 797 CD2 TYR A 51 5.805 -5.439 -6.247 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.734 -6.681 -7.885 1.00 0.00 C ATOM 799 CE2 TYR A 51 6.682 -4.659 -7.024 1.00 0.00 C ATOM 800 CZ TYR A 51 7.668 -5.275 -7.829 1.00 0.00 C ATOM 801 OH TYR A 51 8.589 -4.525 -8.494 1.00 0.00 O ATOM 0 H TYR A 51 6.038 -9.983 -5.700 1.00 0.00 H new ATOM 0 HA TYR A 51 6.715 -7.711 -4.005 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.492 -8.418 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.369 -7.064 -4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.837 -8.521 -7.232 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.064 -4.959 -5.625 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.480 -7.167 -8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.601 -3.582 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 51 8.400 -3.574 -8.353 1.00 0.00 H new ATOM 811 N GLY A 52 5.615 -8.464 -1.906 1.00 0.00 N ATOM 812 CA GLY A 52 4.959 -8.841 -0.664 1.00 0.00 C ATOM 813 C GLY A 52 3.830 -7.904 -0.275 1.00 0.00 C ATOM 814 O GLY A 52 2.947 -8.318 0.478 1.00 0.00 O ATOM 0 H GLY A 52 6.400 -7.824 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.565 -9.853 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.697 -8.862 0.137 1.00 0.00 H new ATOM 818 N PHE A 53 3.874 -6.650 -0.735 1.00 0.00 N ATOM 819 CA PHE A 53 3.004 -5.579 -0.273 1.00 0.00 C ATOM 820 C PHE A 53 2.736 -4.585 -1.386 1.00 0.00 C ATOM 821 O PHE A 53 3.612 -4.354 -2.226 1.00 0.00 O ATOM 822 CB PHE A 53 3.667 -4.853 0.908 1.00 0.00 C ATOM 823 CG PHE A 53 3.100 -5.250 2.246 1.00 0.00 C ATOM 824 CD1 PHE A 53 3.556 -6.414 2.888 1.00 0.00 C ATOM 825 CD2 PHE A 53 2.124 -4.447 2.858 1.00 0.00 C ATOM 826 CE1 PHE A 53 3.024 -6.792 4.130 1.00 0.00 C ATOM 827 CE2 PHE A 53 1.614 -4.805 4.113 1.00 0.00 C ATOM 828 CZ PHE A 53 2.051 -5.989 4.742 1.00 0.00 C ATOM 0 H PHE A 53 4.532 -6.351 -1.455 1.00 0.00 H new ATOM 0 HA PHE A 53 2.056 -6.015 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.737 -5.061 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.550 -3.777 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.319 -7.020 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.767 -3.556 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.362 -7.697 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.885 -4.173 4.599 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.636 -6.278 5.696 1.00 0.00 H new ATOM 838 N VAL A 54 1.554 -3.971 -1.335 1.00 0.00 N ATOM 839 CA VAL A 54 1.059 -3.018 -2.315 1.00 0.00 C ATOM 840 C VAL A 54 0.486 -1.846 -1.521 1.00 0.00 C ATOM 841 O VAL A 54 -0.689 -1.815 -1.159 1.00 0.00 O ATOM 842 CB VAL A 54 0.024 -3.690 -3.245 1.00 0.00 C ATOM 843 CG1 VAL A 54 -0.130 -2.938 -4.567 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.402 -5.124 -3.590 1.00 0.00 C ATOM 0 H VAL A 54 0.892 -4.134 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 54 1.846 -2.657 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.911 -3.673 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.867 -3.445 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.461 -1.919 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.828 -2.914 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.356 -5.553 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.367 -5.134 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.466 -5.713 -2.675 1.00 0.00 H new ATOM 854 N ILE A 55 1.359 -0.913 -1.159 1.00 0.00 N ATOM 855 CA ILE A 55 1.015 0.302 -0.438 1.00 0.00 C ATOM 856 C ILE A 55 0.937 1.385 -1.507 1.00 0.00 C ATOM 857 O ILE A 55 1.824 1.465 -2.359 1.00 0.00 O ATOM 858 CB ILE A 55 2.019 0.550 0.716 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.345 -0.776 1.461 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.454 1.618 1.662 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.254 -0.666 2.685 1.00 0.00 C ATOM 0 H ILE A 55 2.355 -0.985 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 55 0.058 0.262 0.082 1.00 0.00 H new ATOM 0 HB ILE A 55 2.960 0.919 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.405 -1.231 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.810 -1.460 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.159 1.794 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.296 2.545 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.505 1.274 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.406 -1.656 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.216 -0.248 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.789 -0.015 3.426 1.00 0.00 H new ATOM 873 N SER A 56 -0.160 2.134 -1.585 1.00 0.00 N ATOM 874 CA SER A 56 -0.375 3.110 -2.650 1.00 0.00 C ATOM 875 C SER A 56 -1.276 4.240 -2.159 1.00 0.00 C ATOM 876 O SER A 56 -1.950 4.096 -1.136 1.00 0.00 O ATOM 877 CB SER A 56 -0.982 2.410 -3.876 1.00 0.00 C ATOM 878 OG SER A 56 -0.122 1.380 -4.341 1.00 0.00 O ATOM 0 H SER A 56 -0.925 2.082 -0.912 1.00 0.00 H new ATOM 0 HA SER A 56 0.581 3.547 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.954 1.990 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.150 3.137 -4.670 1.00 0.00 H new ATOM 0 HG SER A 56 -0.233 1.273 -5.309 1.00 0.00 H new ATOM 884 N ASP A 57 -1.289 5.357 -2.890 1.00 0.00 N ATOM 885 CA ASP A 57 -2.223 6.445 -2.618 1.00 0.00 C ATOM 886 C ASP A 57 -3.644 6.021 -2.968 1.00 0.00 C ATOM 887 O ASP A 57 -3.879 4.970 -3.565 1.00 0.00 O ATOM 888 CB ASP A 57 -1.856 7.715 -3.400 1.00 0.00 C ATOM 889 CG ASP A 57 -2.213 9.003 -2.640 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.404 9.404 -2.618 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.306 9.661 -2.085 1.00 0.00 O ATOM 0 H ASP A 57 -0.661 5.529 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.161 6.672 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.787 7.709 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.374 7.709 -4.359 1.00 0.00 H new ATOM 896 N TRP A 58 -4.593 6.888 -2.635 1.00 0.00 N ATOM 897 CA TRP A 58 -5.891 6.879 -3.260 1.00 0.00 C ATOM 898 C TRP A 58 -5.747 7.392 -4.697 1.00 0.00 C ATOM 899 O TRP A 58 -6.049 6.669 -5.639 1.00 0.00 O ATOM 900 CB TRP A 58 -6.852 7.752 -2.452 1.00 0.00 C ATOM 901 CG TRP A 58 -8.212 7.674 -3.032 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.737 8.495 -3.967 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.117 6.549 -2.916 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.936 7.966 -4.403 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.200 6.749 -3.811 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.063 5.334 -2.209 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.217 5.799 -3.956 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.078 4.377 -2.351 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.172 4.624 -3.193 1.00 0.00 C ATOM 0 H TRP A 58 -4.476 7.611 -1.925 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.297 5.868 -3.287 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.871 7.422 -1.413 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.506 8.786 -2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.292 9.415 -4.317 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.550 8.420 -5.079 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.231 5.136 -1.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.028 5.969 -4.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.017 3.445 -1.809 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.979 3.909 -3.254 1.00 0.00 H new ATOM 920 N ASN A 59 -5.278 8.644 -4.813 1.00 0.00 N ATOM 921 CA ASN A 59 -5.066 9.472 -6.003 1.00 0.00 C ATOM 922 C ASN A 59 -5.998 9.200 -7.194 1.00 0.00 C ATOM 923 O ASN A 59 -7.161 8.846 -6.992 1.00 0.00 O ATOM 924 CB ASN A 59 -3.571 9.542 -6.347 1.00 0.00 C ATOM 925 CG ASN A 59 -2.972 8.318 -7.037 1.00 0.00 C ATOM 926 OD1 ASN A 59 -3.648 7.370 -7.412 1.00 0.00 O ATOM 927 ND2 ASN A 59 -1.676 8.374 -7.278 1.00 0.00 N ATOM 0 H ASN A 59 -5.008 9.157 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.387 10.478 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.409 10.408 -6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.017 9.719 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.219 7.617 -7.786 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.132 9.174 -6.956 1.00 0.00 H new ATOM 934 N MET A 60 -5.572 9.565 -8.413 1.00 0.00 N ATOM 935 CA MET A 60 -6.341 9.423 -9.648 1.00 0.00 C ATOM 936 C MET A 60 -5.491 9.698 -10.909 1.00 0.00 C ATOM 937 O MET A 60 -5.789 10.646 -11.636 1.00 0.00 O ATOM 938 CB MET A 60 -7.607 10.315 -9.622 1.00 0.00 C ATOM 939 CG MET A 60 -7.349 11.811 -9.345 1.00 0.00 C ATOM 940 SD MET A 60 -7.203 12.294 -7.599 1.00 0.00 S ATOM 941 CE MET A 60 -6.240 13.816 -7.796 1.00 0.00 C ATOM 0 H MET A 60 -4.653 9.980 -8.566 1.00 0.00 H new ATOM 0 HA MET A 60 -6.658 8.382 -9.704 1.00 0.00 H new ATOM 0 HB2 MET A 60 -8.118 10.222 -10.580 1.00 0.00 H new ATOM 0 HB3 MET A 60 -8.286 9.932 -8.860 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.432 12.100 -9.858 1.00 0.00 H new ATOM 0 HG3 MET A 60 -8.159 12.386 -9.792 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.052 14.257 -6.817 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.290 13.586 -8.278 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.797 14.522 -8.411 1.00 0.00 H new ATOM 951 N PRO A 61 -4.462 8.902 -11.249 1.00 0.00 N ATOM 952 CA PRO A 61 -3.800 9.012 -12.546 1.00 0.00 C ATOM 953 C PRO A 61 -4.799 8.621 -13.646 1.00 0.00 C ATOM 954 O PRO A 61 -5.227 9.453 -14.449 1.00 0.00 O ATOM 955 CB PRO A 61 -2.580 8.084 -12.458 1.00 0.00 C ATOM 956 CG PRO A 61 -2.989 7.038 -11.426 1.00 0.00 C ATOM 957 CD PRO A 61 -3.868 7.835 -10.467 1.00 0.00 C ATOM 0 HA PRO A 61 -3.467 10.020 -12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.355 7.628 -13.422 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.687 8.626 -12.146 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.534 6.211 -11.882 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.124 6.609 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.638 7.201 -10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.278 8.238 -9.644 1.00 0.00 H new ATOM 965 N ASN A 62 -5.194 7.348 -13.655 1.00 0.00 N ATOM 966 CA ASN A 62 -6.228 6.745 -14.479 1.00 0.00 C ATOM 967 C ASN A 62 -6.686 5.522 -13.701 1.00 0.00 C ATOM 968 O ASN A 62 -7.763 5.547 -13.113 1.00 0.00 O ATOM 969 CB ASN A 62 -5.692 6.354 -15.864 1.00 0.00 C ATOM 970 CG ASN A 62 -5.823 7.491 -16.863 1.00 0.00 C ATOM 971 OD1 ASN A 62 -4.827 8.075 -17.272 1.00 0.00 O ATOM 972 ND2 ASN A 62 -7.031 7.822 -17.280 1.00 0.00 N ATOM 0 H ASN A 62 -4.762 6.662 -13.036 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.046 7.439 -14.670 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.645 6.064 -15.779 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.235 5.483 -16.231 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.148 8.577 -17.956 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.847 7.323 -16.927 1.00 0.00 H new ATOM 979 N MET A 63 -5.824 4.504 -13.609 1.00 0.00 N ATOM 980 CA MET A 63 -5.916 3.461 -12.596 1.00 0.00 C ATOM 981 C MET A 63 -5.561 4.102 -11.254 1.00 0.00 C ATOM 982 O MET A 63 -4.386 4.170 -10.892 1.00 0.00 O ATOM 983 CB MET A 63 -4.983 2.288 -12.948 1.00 0.00 C ATOM 984 CG MET A 63 -5.149 1.115 -11.980 1.00 0.00 C ATOM 985 SD MET A 63 -4.258 -0.392 -12.459 1.00 0.00 S ATOM 986 CE MET A 63 -5.337 -0.962 -13.800 1.00 0.00 C ATOM 0 H MET A 63 -5.036 4.385 -14.245 1.00 0.00 H new ATOM 0 HA MET A 63 -6.922 3.044 -12.544 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.190 1.952 -13.964 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.948 2.630 -12.930 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.807 1.425 -10.992 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.210 0.881 -11.891 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.684 -1.972 -13.583 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.195 -0.295 -13.886 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.782 -0.962 -14.738 1.00 0.00 H new ATOM 996 N ASP A 64 -6.563 4.652 -10.572 1.00 0.00 N ATOM 997 CA ASP A 64 -6.452 5.103 -9.189 1.00 0.00 C ATOM 998 C ASP A 64 -6.212 3.916 -8.259 1.00 0.00 C ATOM 999 O ASP A 64 -6.295 2.756 -8.674 1.00 0.00 O ATOM 1000 CB ASP A 64 -7.694 5.907 -8.775 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.896 5.061 -8.358 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -9.287 4.166 -9.134 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.519 5.367 -7.316 1.00 0.00 O ATOM 0 H ASP A 64 -7.490 4.799 -10.972 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.593 5.768 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.425 6.564 -7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.989 6.547 -9.607 1.00 0.00 H new ATOM 1008 N GLY A 65 -5.928 4.200 -6.989 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.686 3.192 -5.972 1.00 0.00 C ATOM 1010 C GLY A 65 -6.834 2.191 -5.875 1.00 0.00 C ATOM 1011 O GLY A 65 -6.582 1.017 -5.586 1.00 0.00 O ATOM 0 H GLY A 65 -5.860 5.155 -6.637 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.761 2.662 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.546 3.678 -5.006 1.00 0.00 H new ATOM 1015 N LEU A 66 -8.079 2.619 -6.123 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.244 1.746 -6.071 1.00 0.00 C ATOM 1017 C LEU A 66 -9.232 0.767 -7.238 1.00 0.00 C ATOM 1018 O LEU A 66 -9.382 -0.434 -7.025 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.541 2.580 -6.033 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.761 1.918 -5.370 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.522 0.890 -6.202 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -11.391 1.220 -4.063 1.00 0.00 C ATOM 0 H LEU A 66 -8.300 3.585 -6.366 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.205 1.159 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.332 3.513 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.809 2.842 -7.057 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.418 2.775 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.358 0.499 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.900 1.363 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.853 0.073 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.282 0.766 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.649 0.446 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.978 1.949 -3.366 1.00 0.00 H new ATOM 1034 N GLU A 67 -9.040 1.259 -8.461 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.970 0.431 -9.659 1.00 0.00 C ATOM 1036 C GLU A 67 -7.768 -0.512 -9.600 1.00 0.00 C ATOM 1037 O GLU A 67 -7.886 -1.667 -10.008 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.880 1.329 -10.894 1.00 0.00 C ATOM 1039 CG GLU A 67 -10.173 2.117 -11.137 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.150 1.395 -12.052 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.664 0.314 -11.690 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -11.390 1.908 -13.173 1.00 0.00 O ATOM 0 H GLU A 67 -8.928 2.255 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.872 -0.178 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.050 2.025 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.660 0.718 -11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.657 2.312 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.925 3.085 -11.572 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.631 -0.051 -9.070 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.435 -0.851 -8.822 1.00 0.00 C ATOM 1051 C LEU A 68 -5.813 -2.036 -7.939 1.00 0.00 C ATOM 1052 O LEU A 68 -5.724 -3.176 -8.395 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.348 0.039 -8.187 1.00 0.00 C ATOM 1054 CG LEU A 68 -3.081 -0.704 -7.722 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.277 -1.261 -8.901 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -2.198 0.254 -6.916 1.00 0.00 C ATOM 0 H LEU A 68 -6.518 0.924 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.025 -1.246 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.058 0.802 -8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.780 0.558 -7.331 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.396 -1.546 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.393 -1.777 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.894 -1.961 -9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.971 -0.442 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.301 -0.269 -6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.915 1.101 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.749 0.613 -6.047 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.304 -1.771 -6.721 1.00 0.00 N ATOM 1069 CA LEU A 69 -6.831 -2.775 -5.795 1.00 0.00 C ATOM 1070 C LEU A 69 -7.767 -3.712 -6.541 1.00 0.00 C ATOM 1071 O LEU A 69 -7.567 -4.918 -6.495 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.518 -2.077 -4.602 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.758 -2.741 -3.965 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.597 -4.166 -3.424 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.167 -1.876 -2.773 1.00 0.00 C ATOM 0 H LEU A 69 -6.345 -0.824 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.019 -3.379 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.771 -1.952 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.809 -1.078 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.481 -2.816 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.545 -4.506 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.298 -4.831 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.833 -4.176 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.043 -2.311 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.346 -1.830 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.404 -0.870 -3.118 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.773 -3.198 -7.244 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.776 -4.046 -7.875 1.00 0.00 C ATOM 1089 C LYS A 70 -9.211 -4.903 -9.007 1.00 0.00 C ATOM 1090 O LYS A 70 -9.770 -5.971 -9.277 1.00 0.00 O ATOM 1091 CB LYS A 70 -10.951 -3.181 -8.342 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.852 -2.840 -7.147 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.220 -2.310 -7.598 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.214 -2.327 -6.433 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.616 -2.229 -6.877 1.00 0.00 N ATOM 0 H LYS A 70 -8.914 -2.198 -7.390 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.130 -4.758 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.580 -2.265 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.525 -3.711 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.991 -3.729 -6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.361 -2.094 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.115 -1.294 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.601 -2.920 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.082 -3.246 -5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.992 -1.499 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.244 -2.245 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.754 -1.340 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.841 -3.033 -7.498 1.00 0.00 H new ATOM 1109 N THR A 71 -8.134 -4.486 -9.663 1.00 0.00 N ATOM 1110 CA THR A 71 -7.445 -5.259 -10.689 1.00 0.00 C ATOM 1111 C THR A 71 -6.672 -6.416 -10.032 1.00 0.00 C ATOM 1112 O THR A 71 -6.754 -7.555 -10.492 1.00 0.00 O ATOM 1113 CB THR A 71 -6.570 -4.295 -11.507 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.381 -3.267 -12.052 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.867 -4.977 -12.677 1.00 0.00 C ATOM 0 H THR A 71 -7.705 -3.577 -9.491 1.00 0.00 H new ATOM 0 HA THR A 71 -8.140 -5.730 -11.384 1.00 0.00 H new ATOM 0 HB THR A 71 -5.816 -3.908 -10.821 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.509 -2.562 -11.383 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.265 -4.246 -13.216 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.222 -5.771 -12.301 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.611 -5.402 -13.351 1.00 0.00 H new ATOM 1123 N ILE A 72 -5.986 -6.154 -8.918 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.440 -7.165 -8.012 1.00 0.00 C ATOM 1125 C ILE A 72 -6.501 -8.112 -7.438 1.00 0.00 C ATOM 1126 O ILE A 72 -6.300 -9.322 -7.429 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.516 -6.522 -6.946 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.566 -5.426 -7.487 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -3.745 -7.549 -6.124 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -3.047 -4.466 -6.413 1.00 0.00 C ATOM 0 H ILE A 72 -5.789 -5.201 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.808 -7.823 -8.609 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.215 -6.014 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.716 -5.904 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.089 -4.851 -8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.117 -7.035 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.447 -8.199 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.119 -8.148 -6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.388 -3.728 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.888 -3.958 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.494 -5.027 -5.660 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.636 -7.601 -6.967 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.692 -8.387 -6.329 1.00 0.00 C ATOM 1144 C ARG A 73 -9.174 -9.468 -7.290 1.00 0.00 C ATOM 1145 O ARG A 73 -9.238 -10.635 -6.908 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.802 -7.423 -5.860 1.00 0.00 C ATOM 1147 CG ARG A 73 -10.816 -7.978 -4.846 1.00 0.00 C ATOM 1148 CD ARG A 73 -12.037 -8.671 -5.469 1.00 0.00 C ATOM 1149 NE ARG A 73 -11.784 -10.096 -5.701 1.00 0.00 N ATOM 1150 CZ ARG A 73 -12.381 -10.894 -6.588 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -13.309 -10.461 -7.436 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -12.064 -12.180 -6.609 1.00 0.00 N ATOM 0 H ARG A 73 -7.853 -6.606 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.329 -8.912 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.327 -6.545 -5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.351 -7.083 -6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.306 -8.688 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.163 -7.159 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.898 -8.555 -4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.290 -8.187 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.068 -10.528 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.592 -9.481 -7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.738 -11.109 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.373 -12.546 -5.954 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.511 -12.804 -7.281 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.480 -9.090 -8.533 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.927 -10.003 -9.578 1.00 0.00 C ATOM 1168 C ALA A 74 -8.777 -10.795 -10.228 1.00 0.00 C ATOM 1169 O ALA A 74 -8.971 -11.360 -11.307 1.00 0.00 O ATOM 1170 CB ALA A 74 -10.700 -9.218 -10.639 1.00 0.00 C ATOM 0 H ALA A 74 -9.422 -8.120 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.575 -10.742 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.036 -9.898 -11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.564 -8.739 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.051 -8.457 -11.073 1.00 0.00 H new ATOM 1176 N ASP A 75 -7.582 -10.822 -9.636 1.00 0.00 N ATOM 1177 CA ASP A 75 -6.483 -11.686 -10.064 1.00 0.00 C ATOM 1178 C ASP A 75 -6.684 -13.098 -9.472 1.00 0.00 C ATOM 1179 O ASP A 75 -7.772 -13.440 -8.990 1.00 0.00 O ATOM 1180 CB ASP A 75 -5.146 -11.037 -9.660 1.00 0.00 C ATOM 1181 CG ASP A 75 -4.003 -11.462 -10.574 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -3.432 -12.551 -10.346 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -3.702 -10.711 -11.523 1.00 0.00 O ATOM 0 H ASP A 75 -7.348 -10.236 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.467 -11.799 -11.148 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.247 -9.952 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.908 -11.309 -8.632 1.00 0.00 H new ATOM 1188 N GLY A 76 -5.650 -13.938 -9.507 1.00 0.00 N ATOM 1189 CA GLY A 76 -5.557 -15.210 -8.805 1.00 0.00 C ATOM 1190 C GLY A 76 -4.155 -15.413 -8.229 1.00 0.00 C ATOM 1191 O GLY A 76 -4.023 -15.859 -7.088 1.00 0.00 O ATOM 0 H GLY A 76 -4.814 -13.736 -10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.293 -15.241 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.796 -16.025 -9.488 1.00 0.00 H new ATOM 1195 N ALA A 77 -3.106 -15.072 -8.985 1.00 0.00 N ATOM 1196 CA ALA A 77 -1.713 -15.111 -8.546 1.00 0.00 C ATOM 1197 C ALA A 77 -1.307 -13.860 -7.760 1.00 0.00 C ATOM 1198 O ALA A 77 -0.197 -13.825 -7.226 1.00 0.00 O ATOM 1199 CB ALA A 77 -0.792 -15.256 -9.762 1.00 0.00 C ATOM 0 H ALA A 77 -3.209 -14.752 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.613 -15.968 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.246 -15.285 -9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.030 -16.179 -10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.936 -14.407 -10.431 1.00 0.00 H new ATOM 1205 N MET A 78 -2.154 -12.825 -7.709 1.00 0.00 N ATOM 1206 CA MET A 78 -1.878 -11.601 -6.957 1.00 0.00 C ATOM 1207 C MET A 78 -2.981 -11.221 -5.973 1.00 0.00 C ATOM 1208 O MET A 78 -2.782 -10.308 -5.179 1.00 0.00 O ATOM 1209 CB MET A 78 -1.608 -10.427 -7.910 1.00 0.00 C ATOM 1210 CG MET A 78 -0.582 -10.730 -9.006 1.00 0.00 C ATOM 1211 SD MET A 78 0.200 -9.269 -9.744 1.00 0.00 S ATOM 1212 CE MET A 78 -1.254 -8.300 -10.239 1.00 0.00 C ATOM 0 H MET A 78 -3.053 -12.816 -8.191 1.00 0.00 H new ATOM 0 HA MET A 78 -0.988 -11.815 -6.365 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.547 -10.131 -8.379 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.260 -9.574 -7.328 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.196 -11.369 -8.588 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.073 -11.299 -9.795 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.934 -7.433 -10.818 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.914 -8.919 -10.847 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.788 -7.965 -9.350 1.00 0.00 H new ATOM 1222 N SER A 79 -4.132 -11.889 -5.989 1.00 0.00 N ATOM 1223 CA SER A 79 -5.302 -11.493 -5.211 1.00 0.00 C ATOM 1224 C SER A 79 -5.081 -11.593 -3.693 1.00 0.00 C ATOM 1225 O SER A 79 -5.819 -10.976 -2.917 1.00 0.00 O ATOM 1226 CB SER A 79 -6.504 -12.308 -5.700 1.00 0.00 C ATOM 1227 OG SER A 79 -6.173 -13.680 -5.825 1.00 0.00 O ATOM 0 H SER A 79 -4.280 -12.729 -6.548 1.00 0.00 H new ATOM 0 HA SER A 79 -5.498 -10.434 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.333 -12.193 -5.002 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.841 -11.923 -6.662 1.00 0.00 H new ATOM 0 HG SER A 79 -6.957 -14.179 -6.137 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.059 -12.325 -3.243 1.00 0.00 N ATOM 1234 CA ALA A 80 -3.658 -12.412 -1.845 1.00 0.00 C ATOM 1235 C ALA A 80 -2.812 -11.217 -1.375 1.00 0.00 C ATOM 1236 O ALA A 80 -2.520 -11.128 -0.180 1.00 0.00 O ATOM 1237 CB ALA A 80 -2.881 -13.715 -1.654 1.00 0.00 C ATOM 0 H ALA A 80 -3.474 -12.887 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.561 -12.394 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.569 -13.803 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.518 -14.560 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.001 -13.712 -2.297 1.00 0.00 H new ATOM 1243 N LEU A 81 -2.392 -10.318 -2.273 1.00 0.00 N ATOM 1244 CA LEU A 81 -1.557 -9.171 -1.921 1.00 0.00 C ATOM 1245 C LEU A 81 -2.289 -8.268 -0.919 1.00 0.00 C ATOM 1246 O LEU A 81 -3.444 -7.917 -1.178 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.230 -8.331 -3.171 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.047 -8.824 -4.027 1.00 0.00 C ATOM 1249 CD1 LEU A 81 0.116 -7.993 -5.314 1.00 0.00 C ATOM 1250 CD2 LEU A 81 1.273 -8.747 -3.248 1.00 0.00 C ATOM 0 H LEU A 81 -2.624 -10.368 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.636 -9.555 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.118 -8.294 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.022 -7.309 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.273 -9.858 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.961 -8.373 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.792 -8.067 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.295 -6.950 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.089 -9.101 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.463 -7.714 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.206 -9.370 -2.356 1.00 0.00 H new ATOM 1262 N PRO A 82 -1.642 -7.823 0.173 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.173 -6.755 1.000 1.00 0.00 C ATOM 1264 C PRO A 82 -2.113 -5.445 0.208 1.00 0.00 C ATOM 1265 O PRO A 82 -1.048 -5.048 -0.273 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.308 -6.719 2.258 1.00 0.00 C ATOM 1267 CG PRO A 82 0.026 -7.299 1.805 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.327 -8.227 0.640 1.00 0.00 C ATOM 0 HA PRO A 82 -3.215 -6.908 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.194 -5.703 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.748 -7.310 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.713 -6.513 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.514 -7.845 2.612 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.410 -8.144 -0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.333 -9.268 0.962 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.264 -4.788 0.096 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.524 -3.598 -0.700 1.00 0.00 C ATOM 1278 C VAL A 83 -3.956 -2.500 0.274 1.00 0.00 C ATOM 1279 O VAL A 83 -5.022 -2.592 0.889 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.560 -3.904 -1.807 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.899 -4.580 -3.015 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.721 -4.800 -1.343 1.00 0.00 C ATOM 0 H VAL A 83 -4.097 -5.098 0.596 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.638 -3.257 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.968 -2.930 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.653 -4.783 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.135 -3.921 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.439 -5.517 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.405 -4.969 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.327 -5.756 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.255 -4.311 -0.528 1.00 0.00 H new ATOM 1292 N LEU A 84 -3.085 -1.517 0.506 1.00 0.00 N ATOM 1293 CA LEU A 84 -3.177 -0.584 1.620 1.00 0.00 C ATOM 1294 C LEU A 84 -3.164 0.846 1.095 1.00 0.00 C ATOM 1295 O LEU A 84 -2.168 1.280 0.517 1.00 0.00 O ATOM 1296 CB LEU A 84 -2.025 -0.864 2.599 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.963 0.113 3.786 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.276 0.166 4.578 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.817 -0.300 4.713 1.00 0.00 C ATOM 0 H LEU A 84 -2.277 -1.347 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.114 -0.716 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.126 -1.879 2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.081 -0.820 2.056 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.794 1.112 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.175 0.871 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.084 0.489 3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.503 -0.824 4.973 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.766 0.388 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.992 -1.312 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.124 -0.270 4.164 1.00 0.00 H new ATOM 1311 N MET A 85 -4.275 1.556 1.295 1.00 0.00 N ATOM 1312 CA MET A 85 -4.429 2.949 0.888 1.00 0.00 C ATOM 1313 C MET A 85 -3.725 3.819 1.934 1.00 0.00 C ATOM 1314 O MET A 85 -4.090 3.741 3.112 1.00 0.00 O ATOM 1315 CB MET A 85 -5.923 3.328 0.803 1.00 0.00 C ATOM 1316 CG MET A 85 -6.789 2.382 -0.038 1.00 0.00 C ATOM 1317 SD MET A 85 -6.517 2.491 -1.823 1.00 0.00 S ATOM 1318 CE MET A 85 -7.691 1.216 -2.328 1.00 0.00 C ATOM 0 H MET A 85 -5.103 1.172 1.751 1.00 0.00 H new ATOM 0 HA MET A 85 -3.991 3.102 -0.098 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.330 3.366 1.813 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.004 4.333 0.389 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.600 1.357 0.282 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.838 2.592 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.151 0.377 -2.766 1.00 0.00 H new ATOM 0 HE2 MET A 85 -8.251 0.872 -1.458 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.381 1.628 -3.064 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.751 4.640 1.541 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.046 5.586 2.404 1.00 0.00 C ATOM 1330 C VAL A 86 -2.050 6.933 1.686 1.00 0.00 C ATOM 1331 O VAL A 86 -1.511 7.050 0.591 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.620 5.100 2.735 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.025 6.026 3.776 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.617 3.674 3.305 1.00 0.00 C ATOM 0 H VAL A 86 -2.420 4.665 0.577 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.547 5.677 3.368 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.058 5.112 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.031 5.674 4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.076 7.040 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.574 6.023 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.407 3.372 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.207 3.647 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.049 2.989 2.575 1.00 0.00 H new ATOM 1344 N THR A 87 -2.743 7.936 2.227 1.00 0.00 N ATOM 1345 CA THR A 87 -3.014 9.163 1.486 1.00 0.00 C ATOM 1346 C THR A 87 -3.269 10.330 2.448 1.00 0.00 C ATOM 1347 O THR A 87 -3.460 10.143 3.652 1.00 0.00 O ATOM 1348 CB THR A 87 -4.198 8.883 0.532 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.487 9.996 -0.290 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.474 8.460 1.267 1.00 0.00 C ATOM 0 H THR A 87 -3.125 7.921 3.173 1.00 0.00 H new ATOM 0 HA THR A 87 -2.154 9.464 0.889 1.00 0.00 H new ATOM 0 HB THR A 87 -3.871 8.049 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.018 9.902 -1.145 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.268 8.278 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.283 7.548 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.780 9.253 1.950 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.305 11.555 1.921 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.878 12.695 2.622 1.00 0.00 C ATOM 1360 C ALA A 88 -5.414 12.703 2.534 1.00 0.00 C ATOM 1361 O ALA A 88 -6.063 13.370 3.342 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.314 13.982 2.013 1.00 0.00 C ATOM 0 H ALA A 88 -2.937 11.780 0.997 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.612 12.625 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.736 14.844 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.229 13.990 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.575 14.029 0.956 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.004 12.019 1.552 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.408 12.151 1.191 1.00 0.00 C ATOM 1370 C GLU A 89 -8.276 11.156 1.967 1.00 0.00 C ATOM 1371 O GLU A 89 -8.242 9.956 1.697 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.551 11.938 -0.321 1.00 0.00 C ATOM 1373 CG GLU A 89 -6.899 13.045 -1.159 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.815 14.266 -1.239 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.838 15.084 -0.288 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.554 14.398 -2.242 1.00 0.00 O ATOM 0 H GLU A 89 -5.503 11.343 0.975 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.754 13.151 1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.105 10.980 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.610 11.878 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.943 13.328 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.689 12.674 -2.162 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.054 11.639 2.939 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.054 10.838 3.631 1.00 0.00 C ATOM 1385 C ALA A 90 -11.195 10.486 2.675 1.00 0.00 C ATOM 1386 O ALA A 90 -11.294 9.331 2.288 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.560 11.560 4.888 1.00 0.00 C ATOM 0 H ALA A 90 -9.004 12.604 3.266 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.596 9.906 3.963 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.306 10.942 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.725 11.740 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.009 12.512 4.605 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.054 11.466 2.347 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.350 11.338 1.666 1.00 0.00 C ATOM 1395 C LYS A 91 -14.085 10.034 1.997 1.00 0.00 C ATOM 1396 O LYS A 91 -13.840 8.988 1.395 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.215 11.612 0.159 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.544 11.365 -0.584 1.00 0.00 C ATOM 1399 CD LYS A 91 -14.685 12.182 -1.872 1.00 0.00 C ATOM 1400 CE LYS A 91 -15.817 11.575 -2.710 1.00 0.00 C ATOM 1401 NZ LYS A 91 -16.245 12.445 -3.820 1.00 0.00 N ATOM 0 H LYS A 91 -11.843 12.439 2.568 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.001 12.115 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.896 12.643 0.003 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.439 10.972 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.625 10.305 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.373 11.605 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -14.903 13.224 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.750 12.170 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.489 10.617 -3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.671 11.373 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.011 11.981 -4.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.586 13.351 -3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.440 12.618 -4.456 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.046 10.093 2.926 1.00 0.00 N ATOM 1416 CA LYS A 92 -15.705 8.886 3.415 1.00 0.00 C ATOM 1417 C LYS A 92 -16.252 8.024 2.279 1.00 0.00 C ATOM 1418 O LYS A 92 -16.057 6.821 2.326 1.00 0.00 O ATOM 1419 CB LYS A 92 -16.784 9.183 4.468 1.00 0.00 C ATOM 1420 CG LYS A 92 -16.808 8.052 5.512 1.00 0.00 C ATOM 1421 CD LYS A 92 -18.155 7.977 6.238 1.00 0.00 C ATOM 1422 CE LYS A 92 -18.124 7.038 7.451 1.00 0.00 C ATOM 1423 NZ LYS A 92 -17.812 5.633 7.104 1.00 0.00 N ATOM 0 H LYS A 92 -15.380 10.959 3.349 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.930 8.306 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -16.580 10.137 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.759 9.271 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.606 7.100 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.012 8.211 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.443 8.976 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -18.920 7.637 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.382 7.401 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -19.091 7.074 7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.807 5.055 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.532 5.269 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -16.877 5.587 6.651 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.862 8.595 1.238 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.348 7.820 0.087 1.00 0.00 C ATOM 1439 C GLU A 93 -16.240 6.993 -0.583 1.00 0.00 C ATOM 1440 O GLU A 93 -16.496 5.877 -1.040 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.956 8.767 -0.949 1.00 0.00 C ATOM 1442 CG GLU A 93 -19.326 9.301 -0.518 1.00 0.00 C ATOM 1443 CD GLU A 93 -19.474 10.757 -0.931 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -19.620 11.040 -2.143 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -19.357 11.640 -0.050 1.00 0.00 O ATOM 0 H GLU A 93 -17.033 9.598 1.166 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.097 7.124 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -17.278 9.604 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -18.055 8.245 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.117 8.704 -0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.437 9.208 0.562 1.00 0.00 H new ATOM 1452 N ASN A 94 -15.012 7.510 -0.651 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.864 6.767 -1.159 1.00 0.00 C ATOM 1454 C ASN A 94 -13.453 5.691 -0.160 1.00 0.00 C ATOM 1455 O ASN A 94 -13.102 4.588 -0.569 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.671 7.689 -1.450 1.00 0.00 C ATOM 1457 CG ASN A 94 -12.866 8.608 -2.651 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.504 9.776 -2.597 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -13.426 8.148 -3.757 1.00 0.00 N ATOM 0 H ASN A 94 -14.788 8.460 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.163 6.301 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.475 8.299 -0.568 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.785 7.076 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.554 8.765 -4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.730 7.176 -3.808 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.548 5.957 1.145 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.299 4.927 2.159 1.00 0.00 C ATOM 1468 C ILE A 95 -14.347 3.802 2.024 1.00 0.00 C ATOM 1469 O ILE A 95 -13.972 2.634 2.160 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.264 5.567 3.565 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -11.891 6.251 3.767 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -13.479 4.530 4.689 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -11.975 7.459 4.703 1.00 0.00 C ATOM 0 H ILE A 95 -13.794 6.871 1.524 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.322 4.469 2.004 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.078 6.289 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.184 5.528 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.501 6.570 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -13.446 5.030 5.657 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -14.450 4.051 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.694 3.776 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.986 7.904 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.660 8.196 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.338 7.138 5.679 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.625 4.116 1.743 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.649 3.117 1.416 1.00 0.00 C ATOM 1487 C ILE A 96 -16.150 2.330 0.208 1.00 0.00 C ATOM 1488 O ILE A 96 -16.094 1.108 0.296 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.072 3.714 1.191 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.837 4.001 2.506 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.987 2.773 0.377 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -18.412 5.283 3.214 1.00 0.00 C ATOM 0 H ILE A 96 -15.974 5.074 1.737 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.784 2.458 2.274 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.872 4.641 0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.903 4.057 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.695 3.161 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.965 3.237 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.542 2.589 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.100 1.827 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -18.998 5.407 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.354 5.225 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.581 6.135 2.556 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.776 2.997 -0.892 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.310 2.317 -2.096 1.00 0.00 C ATOM 1506 C ALA A 97 -14.167 1.357 -1.765 1.00 0.00 C ATOM 1507 O ALA A 97 -14.200 0.213 -2.205 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.888 3.317 -3.176 1.00 0.00 C ATOM 0 H ALA A 97 -15.789 4.014 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.142 1.736 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.546 2.777 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.738 3.946 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.079 3.942 -2.797 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.173 1.788 -0.982 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.046 0.961 -0.569 1.00 0.00 C ATOM 1516 C ALA A 98 -12.530 -0.271 0.195 1.00 0.00 C ATOM 1517 O ALA A 98 -12.116 -1.387 -0.109 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.105 1.781 0.319 1.00 0.00 C ATOM 0 H ALA A 98 -13.133 2.738 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.514 0.629 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.263 1.161 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.737 2.642 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.645 2.124 1.202 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.384 -0.070 1.200 1.00 0.00 N ATOM 1525 CA ALA A 99 -13.895 -1.139 2.043 1.00 0.00 C ATOM 1526 C ALA A 99 -14.695 -2.140 1.200 1.00 0.00 C ATOM 1527 O ALA A 99 -14.513 -3.347 1.348 1.00 0.00 O ATOM 1528 CB ALA A 99 -14.734 -0.521 3.174 1.00 0.00 C ATOM 0 H ALA A 99 -13.741 0.852 1.450 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.074 -1.695 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.123 -1.314 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.110 0.149 3.765 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.565 0.040 2.746 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.527 -1.641 0.285 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.310 -2.405 -0.677 1.00 0.00 C ATOM 1536 C GLN A 100 -15.409 -3.215 -1.600 1.00 0.00 C ATOM 1537 O GLN A 100 -15.606 -4.421 -1.738 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.179 -1.438 -1.496 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.358 -0.886 -0.693 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.459 -1.927 -0.622 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -20.323 -1.972 -1.496 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -19.469 -2.790 0.373 1.00 0.00 N ATOM 0 H GLN A 100 -15.678 -0.636 0.193 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.946 -3.107 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.563 -0.610 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.555 -1.953 -2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.032 -0.618 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.734 0.024 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.749 -2.746 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.197 -3.503 0.423 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.410 -2.571 -2.207 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.421 -3.218 -3.039 1.00 0.00 C ATOM 1553 C ALA A 101 -12.632 -4.286 -2.278 1.00 0.00 C ATOM 1554 O ALA A 101 -12.095 -5.189 -2.916 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.481 -2.142 -3.574 1.00 0.00 C ATOM 0 H ALA A 101 -14.272 -1.564 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.927 -3.733 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.723 -2.603 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.050 -1.419 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.997 -1.634 -2.740 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.575 -4.199 -0.948 1.00 0.00 N ATOM 1562 CA GLY A 102 -11.916 -5.163 -0.090 1.00 0.00 C ATOM 1563 C GLY A 102 -10.489 -4.749 0.256 1.00 0.00 C ATOM 1564 O GLY A 102 -9.664 -5.632 0.513 1.00 0.00 O ATOM 0 H GLY A 102 -13.001 -3.430 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.491 -5.281 0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.901 -6.135 -0.584 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.185 -3.443 0.253 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.848 -2.943 0.542 1.00 0.00 C ATOM 1570 C ALA A 103 -8.455 -3.378 1.942 1.00 0.00 C ATOM 1571 O ALA A 103 -9.241 -3.224 2.882 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.744 -1.416 0.429 1.00 0.00 C ATOM 0 H ALA A 103 -10.864 -2.710 0.049 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.171 -3.361 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.725 -1.103 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.002 -1.108 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.432 -0.951 1.135 1.00 0.00 H new ATOM 1578 N SER A 104 -7.232 -3.867 2.089 1.00 0.00 N ATOM 1579 CA SER A 104 -6.710 -4.394 3.333 1.00 0.00 C ATOM 1580 C SER A 104 -6.532 -3.304 4.396 1.00 0.00 C ATOM 1581 O SER A 104 -6.313 -3.632 5.562 1.00 0.00 O ATOM 1582 CB SER A 104 -5.391 -5.120 3.051 1.00 0.00 C ATOM 1583 OG SER A 104 -5.432 -5.846 1.836 1.00 0.00 O ATOM 0 H SER A 104 -6.560 -3.907 1.323 1.00 0.00 H new ATOM 0 HA SER A 104 -7.433 -5.099 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.579 -4.394 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.170 -5.801 3.873 1.00 0.00 H new ATOM 0 HG SER A 104 -5.751 -6.756 2.009 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.658 -2.020 4.045 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.787 -0.945 5.013 1.00 0.00 C ATOM 1591 C GLY A 105 -6.792 0.416 4.332 1.00 0.00 C ATOM 1592 O GLY A 105 -6.485 0.530 3.142 1.00 0.00 O ATOM 0 H GLY A 105 -6.673 -1.704 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.709 -1.073 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.964 -0.994 5.726 1.00 0.00 H new ATOM 1596 N TYR A 106 -7.103 1.445 5.120 1.00 0.00 N ATOM 1597 CA TYR A 106 -7.046 2.845 4.734 1.00 0.00 C ATOM 1598 C TYR A 106 -6.355 3.609 5.861 1.00 0.00 C ATOM 1599 O TYR A 106 -6.694 3.426 7.038 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.470 3.369 4.464 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.576 4.496 3.447 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.036 5.773 3.707 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.265 4.274 2.238 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.182 6.806 2.762 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.429 5.308 1.301 1.00 0.00 C ATOM 1606 CZ TYR A 106 -8.888 6.586 1.557 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.060 7.593 0.657 1.00 0.00 O ATOM 0 H TYR A 106 -7.414 1.315 6.083 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.479 2.982 3.813 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.085 2.537 4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.895 3.714 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.510 5.958 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.672 3.296 2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.750 7.776 2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.969 5.125 0.384 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.687 8.423 1.020 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.391 4.450 5.509 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.594 5.286 6.390 1.00 0.00 C ATOM 1619 C VAL A 107 -4.656 6.682 5.780 1.00 0.00 C ATOM 1620 O VAL A 107 -4.051 6.940 4.741 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.162 4.717 6.482 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.200 5.637 7.237 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.140 3.365 7.207 1.00 0.00 C ATOM 0 H VAL A 107 -5.129 4.573 4.531 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.961 5.317 7.416 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.837 4.616 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.210 5.182 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.141 6.599 6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.562 5.786 8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.116 2.994 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.528 3.488 8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.760 2.651 6.665 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.438 7.573 6.385 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.342 8.989 6.061 1.00 0.00 C ATOM 1635 C VAL A 108 -4.177 9.555 6.882 1.00 0.00 C ATOM 1636 O VAL A 108 -3.842 9.020 7.945 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.660 9.729 6.388 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.734 11.069 5.638 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.913 8.925 6.002 1.00 0.00 C ATOM 0 H VAL A 108 -6.135 7.342 7.092 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.168 9.127 4.994 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.648 9.876 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.669 11.572 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.895 11.699 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.690 10.888 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.805 9.497 6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.902 8.727 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.921 7.980 6.546 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.578 10.663 6.449 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.810 11.505 7.362 1.00 0.00 C ATOM 1651 C LYS A 109 -3.742 11.958 8.503 1.00 0.00 C ATOM 1652 O LYS A 109 -4.937 12.146 8.251 1.00 0.00 O ATOM 1653 CB LYS A 109 -2.257 12.726 6.617 1.00 0.00 C ATOM 1654 CG LYS A 109 -1.058 12.375 5.723 1.00 0.00 C ATOM 1655 CD LYS A 109 -0.474 13.602 5.007 1.00 0.00 C ATOM 1656 CE LYS A 109 0.024 14.669 5.988 1.00 0.00 C ATOM 1657 NZ LYS A 109 -0.881 15.833 6.064 1.00 0.00 N ATOM 0 H LYS A 109 -3.609 10.995 5.485 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.968 10.944 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -3.047 13.163 6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.957 13.484 7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.281 11.910 6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.367 11.639 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.350 13.288 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.234 14.036 4.357 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.127 14.227 6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.016 15.003 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.500 16.525 6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.960 16.273 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.821 15.521 6.380 1.00 0.00 H new ATOM 1671 N PRO A 110 -3.229 12.218 9.716 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.869 11.936 10.157 1.00 0.00 C ATOM 1673 C PRO A 110 -1.668 10.428 10.360 1.00 0.00 C ATOM 1674 O PRO A 110 -2.598 9.718 10.749 1.00 0.00 O ATOM 1675 CB PRO A 110 -1.737 12.692 11.480 1.00 0.00 C ATOM 1676 CG PRO A 110 -3.152 12.708 12.053 1.00 0.00 C ATOM 1677 CD PRO A 110 -4.023 12.775 10.802 1.00 0.00 C ATOM 0 HA PRO A 110 -1.119 12.245 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.041 12.193 12.155 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.360 13.703 11.324 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.360 11.815 12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.314 13.566 12.705 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.944 12.208 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.311 13.803 10.584 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.452 9.930 10.126 1.00 0.00 N ATOM 1686 CA PHE A 111 -0.090 8.539 10.389 1.00 0.00 C ATOM 1687 C PHE A 111 1.392 8.442 10.755 1.00 0.00 C ATOM 1688 O PHE A 111 2.183 9.277 10.316 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.416 7.684 9.153 1.00 0.00 C ATOM 1690 CG PHE A 111 0.354 7.991 7.888 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.647 7.464 7.718 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -0.252 8.708 6.842 1.00 0.00 C ATOM 1693 CE1 PHE A 111 2.337 7.673 6.518 1.00 0.00 C ATOM 1694 CE2 PHE A 111 0.441 8.921 5.639 1.00 0.00 C ATOM 1695 CZ PHE A 111 1.738 8.405 5.482 1.00 0.00 C ATOM 0 H PHE A 111 0.314 10.486 9.746 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.667 8.162 11.233 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.245 6.638 9.409 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.479 7.790 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.108 6.898 8.514 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.253 9.096 6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 111 3.331 7.270 6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.021 9.479 4.838 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.276 8.572 4.561 1.00 0.00 H new ATOM 1705 N THR A 112 1.786 7.413 11.505 1.00 0.00 N ATOM 1706 CA THR A 112 3.181 7.130 11.854 1.00 0.00 C ATOM 1707 C THR A 112 3.403 5.616 11.880 1.00 0.00 C ATOM 1708 O THR A 112 2.491 4.844 11.565 1.00 0.00 O ATOM 1709 CB THR A 112 3.527 7.762 13.213 1.00 0.00 C ATOM 1710 OG1 THR A 112 2.572 7.340 14.166 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.623 9.285 13.136 1.00 0.00 C ATOM 0 H THR A 112 1.130 6.737 11.896 1.00 0.00 H new ATOM 0 HA THR A 112 3.840 7.567 11.104 1.00 0.00 H new ATOM 0 HB THR A 112 4.516 7.423 13.520 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.783 7.735 15.038 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.869 9.684 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.401 9.565 12.426 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.667 9.694 12.807 1.00 0.00 H new ATOM 1719 N ALA A 113 4.600 5.173 12.278 1.00 0.00 N ATOM 1720 CA ALA A 113 4.920 3.766 12.451 1.00 0.00 C ATOM 1721 C ALA A 113 3.927 3.108 13.430 1.00 0.00 C ATOM 1722 O ALA A 113 3.568 1.952 13.225 1.00 0.00 O ATOM 1723 CB ALA A 113 6.394 3.616 12.864 1.00 0.00 C ATOM 0 H ALA A 113 5.379 5.796 12.490 1.00 0.00 H new ATOM 0 HA ALA A 113 4.807 3.232 11.507 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.630 2.560 12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.034 4.039 12.089 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.564 4.143 13.803 1.00 0.00 H new ATOM 1729 N ALA A 114 3.376 3.860 14.396 1.00 0.00 N ATOM 1730 CA ALA A 114 2.383 3.376 15.352 1.00 0.00 C ATOM 1731 C ALA A 114 1.043 2.971 14.719 1.00 0.00 C ATOM 1732 O ALA A 114 0.346 2.135 15.299 1.00 0.00 O ATOM 1733 CB ALA A 114 2.140 4.448 16.420 1.00 0.00 C ATOM 0 H ALA A 114 3.618 4.842 14.532 1.00 0.00 H new ATOM 0 HA ALA A 114 2.798 2.468 15.789 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.399 4.089 17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.073 4.661 16.941 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.774 5.358 15.945 1.00 0.00 H new ATOM 1739 N THR A 115 0.659 3.523 13.559 1.00 0.00 N ATOM 1740 CA THR A 115 -0.538 3.069 12.839 1.00 0.00 C ATOM 1741 C THR A 115 -0.143 2.121 11.697 1.00 0.00 C ATOM 1742 O THR A 115 -0.901 1.216 11.347 1.00 0.00 O ATOM 1743 CB THR A 115 -1.426 4.253 12.411 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.745 3.838 12.121 1.00 0.00 O ATOM 1745 CG2 THR A 115 -0.951 4.973 11.160 1.00 0.00 C ATOM 0 H THR A 115 1.160 4.284 13.100 1.00 0.00 H new ATOM 0 HA THR A 115 -1.166 2.486 13.512 1.00 0.00 H new ATOM 0 HB THR A 115 -1.375 4.925 13.268 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.281 4.614 11.855 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.633 5.792 10.930 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.050 5.371 11.327 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.929 4.274 10.324 1.00 0.00 H new ATOM 1753 N LEU A 116 1.071 2.270 11.152 1.00 0.00 N ATOM 1754 CA LEU A 116 1.642 1.344 10.185 1.00 0.00 C ATOM 1755 C LEU A 116 1.633 -0.062 10.815 1.00 0.00 C ATOM 1756 O LEU A 116 1.105 -0.993 10.205 1.00 0.00 O ATOM 1757 CB LEU A 116 3.050 1.847 9.777 1.00 0.00 C ATOM 1758 CG LEU A 116 3.657 1.367 8.442 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.480 -0.127 8.234 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.112 2.101 7.213 1.00 0.00 C ATOM 0 H LEU A 116 1.687 3.051 11.378 1.00 0.00 H new ATOM 0 HA LEU A 116 1.062 1.289 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.016 2.936 9.750 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.742 1.569 10.572 1.00 0.00 H new ATOM 0 HG LEU A 116 4.717 1.604 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.923 -0.417 7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.972 -0.668 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.418 -0.370 8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.587 1.708 6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.034 1.952 7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.327 3.166 7.300 1.00 0.00 H new ATOM 1772 N GLU A 117 2.151 -0.206 12.043 1.00 0.00 N ATOM 1773 CA GLU A 117 2.221 -1.470 12.779 1.00 0.00 C ATOM 1774 C GLU A 117 0.834 -1.998 13.158 1.00 0.00 C ATOM 1775 O GLU A 117 0.600 -3.204 13.073 1.00 0.00 O ATOM 1776 CB GLU A 117 3.165 -1.357 13.990 1.00 0.00 C ATOM 1777 CG GLU A 117 2.656 -0.549 15.192 1.00 0.00 C ATOM 1778 CD GLU A 117 2.113 -1.426 16.326 1.00 0.00 C ATOM 1779 OE1 GLU A 117 1.153 -2.203 16.132 1.00 0.00 O ATOM 1780 OE2 GLU A 117 2.620 -1.319 17.464 1.00 0.00 O ATOM 0 H GLU A 117 2.543 0.578 12.564 1.00 0.00 H new ATOM 0 HA GLU A 117 2.650 -2.216 12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.400 -2.365 14.333 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.100 -0.910 13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.468 0.068 15.576 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.871 0.129 14.859 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.095 -1.110 13.512 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.483 -1.434 13.822 1.00 0.00 C ATOM 1789 C GLU A 118 -2.116 -2.129 12.618 1.00 0.00 C ATOM 1790 O GLU A 118 -2.625 -3.251 12.718 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.186 -0.150 14.250 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.706 -0.241 14.298 1.00 0.00 C ATOM 1793 CD GLU A 118 -4.324 -1.120 15.375 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -3.756 -2.150 15.792 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -5.521 -0.917 15.667 1.00 0.00 O ATOM 0 H GLU A 118 0.107 -0.113 13.593 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.571 -2.136 14.652 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.822 0.136 15.237 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.905 0.648 13.563 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.100 0.768 14.421 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.052 -0.602 13.330 1.00 0.00 H new ATOM 1802 N LYS A 119 -2.098 -1.468 11.459 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.696 -2.009 10.247 1.00 0.00 C ATOM 1804 C LYS A 119 -1.936 -3.259 9.785 1.00 0.00 C ATOM 1805 O LYS A 119 -2.589 -4.189 9.306 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.721 -0.938 9.157 1.00 0.00 C ATOM 1807 CG LYS A 119 -3.524 0.332 9.474 1.00 0.00 C ATOM 1808 CD LYS A 119 -5.036 0.164 9.301 1.00 0.00 C ATOM 1809 CE LYS A 119 -5.699 1.519 9.563 1.00 0.00 C ATOM 1810 NZ LYS A 119 -7.169 1.453 9.460 1.00 0.00 N ATOM 0 H LYS A 119 -1.671 -0.550 11.339 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.723 -2.306 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.693 -0.648 8.938 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.127 -1.383 8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.316 0.636 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.181 1.139 8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.267 -0.185 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.417 -0.586 9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.422 1.870 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.320 2.250 8.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.487 2.034 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.463 0.467 9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.595 1.812 10.338 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.610 -3.318 9.980 1.00 0.00 N ATOM 1825 CA LEU A 120 0.221 -4.482 9.671 1.00 0.00 C ATOM 1826 C LEU A 120 -0.272 -5.676 10.475 1.00 0.00 C ATOM 1827 O LEU A 120 -0.586 -6.709 9.897 1.00 0.00 O ATOM 1828 CB LEU A 120 1.706 -4.254 10.008 1.00 0.00 C ATOM 1829 CG LEU A 120 2.603 -3.624 8.933 1.00 0.00 C ATOM 1830 CD1 LEU A 120 3.983 -3.366 9.544 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.743 -4.498 7.687 1.00 0.00 C ATOM 0 H LEU A 120 -0.078 -2.538 10.366 1.00 0.00 H new ATOM 0 HA LEU A 120 0.140 -4.660 8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.753 -3.621 10.894 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.138 -5.217 10.280 1.00 0.00 H new ATOM 0 HG LEU A 120 2.136 -2.694 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.635 -2.918 8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.885 -2.687 10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.413 -4.309 9.882 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.388 -4.000 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.180 -5.458 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.760 -4.661 7.245 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.359 -5.553 11.801 1.00 0.00 N ATOM 1844 CA ASN A 121 -0.774 -6.671 12.644 1.00 0.00 C ATOM 1845 C ASN A 121 -2.216 -7.065 12.334 1.00 0.00 C ATOM 1846 O ASN A 121 -2.569 -8.242 12.350 1.00 0.00 O ATOM 1847 CB ASN A 121 -0.544 -6.361 14.129 1.00 0.00 C ATOM 1848 CG ASN A 121 -0.381 -7.621 14.981 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -0.612 -8.749 14.550 1.00 0.00 O ATOM 1850 ND2 ASN A 121 0.096 -7.463 16.203 1.00 0.00 N ATOM 0 H ASN A 121 -0.148 -4.695 12.310 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.152 -7.536 12.415 1.00 0.00 H new ATOM 0 HB2 ASN A 121 0.347 -5.741 14.232 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -1.384 -5.778 14.508 1.00 0.00 H new ATOM 0 HD21 ASN A 121 0.273 -8.278 16.791 1.00 0.00 H new ATOM 0 HD22 ASN A 121 0.287 -6.526 16.559 1.00 0.00 H new ATOM 1857 N LYS A 122 -3.040 -6.097 11.921 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.354 -6.369 11.351 1.00 0.00 C ATOM 1859 C LYS A 122 -4.231 -7.374 10.212 1.00 0.00 C ATOM 1860 O LYS A 122 -4.825 -8.436 10.322 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.046 -5.065 10.930 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.420 -4.888 11.589 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.838 -3.412 11.538 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.080 -2.574 12.575 1.00 0.00 C ATOM 1865 NZ LYS A 122 -6.786 -2.569 13.879 1.00 0.00 N ATOM 0 H LYS A 122 -2.811 -5.105 11.974 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.993 -6.822 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.410 -4.219 11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.162 -5.053 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.160 -5.502 11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.383 -5.229 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.650 -3.014 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.910 -3.331 11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.074 -2.973 12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.973 -1.552 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.465 -1.757 14.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.811 -2.496 13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -6.578 -3.451 14.390 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.485 -7.094 9.141 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.365 -8.011 7.996 1.00 0.00 C ATOM 1881 C ILE A 123 -2.544 -9.277 8.296 1.00 0.00 C ATOM 1882 O ILE A 123 -2.813 -10.324 7.694 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.881 -7.271 6.734 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.557 -6.525 6.967 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -3.989 -6.316 6.267 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.122 -5.599 5.841 1.00 0.00 C ATOM 0 H ILE A 123 -2.949 -6.232 9.039 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.371 -8.379 7.794 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.677 -8.005 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.646 -5.939 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.770 -7.260 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.659 -5.785 5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.889 -6.887 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.206 -5.597 7.057 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.178 -5.123 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.993 -6.176 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.883 -4.834 5.684 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.615 -9.236 9.252 1.00 0.00 N ATOM 1899 CA PHE A 124 -0.943 -10.438 9.736 1.00 0.00 C ATOM 1900 C PHE A 124 -1.968 -11.414 10.301 1.00 0.00 C ATOM 1901 O PHE A 124 -1.827 -12.621 10.132 1.00 0.00 O ATOM 1902 CB PHE A 124 0.038 -10.125 10.872 1.00 0.00 C ATOM 1903 CG PHE A 124 1.253 -9.237 10.643 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.759 -8.950 9.360 1.00 0.00 C ATOM 1905 CD2 PHE A 124 1.908 -8.703 11.770 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.861 -8.090 9.207 1.00 0.00 C ATOM 1907 CE2 PHE A 124 2.985 -7.819 11.620 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.460 -7.505 10.337 1.00 0.00 C ATOM 0 H PHE A 124 -1.311 -8.376 9.708 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.406 -10.860 8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.541 -9.671 11.676 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.408 -11.080 11.245 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.298 -9.393 8.489 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.577 -8.978 12.760 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.248 -7.879 8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.449 -7.380 12.491 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.283 -6.816 10.218 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.982 -10.912 11.001 1.00 0.00 N ATOM 1919 CA GLU A 125 -4.022 -11.738 11.592 1.00 0.00 C ATOM 1920 C GLU A 125 -5.117 -12.043 10.569 1.00 0.00 C ATOM 1921 O GLU A 125 -5.682 -13.137 10.548 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.648 -10.959 12.760 1.00 0.00 C ATOM 1923 CG GLU A 125 -3.681 -10.652 13.912 1.00 0.00 C ATOM 1924 CD GLU A 125 -3.658 -11.735 14.974 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -4.736 -12.028 15.542 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -2.559 -12.216 15.329 1.00 0.00 O ATOM 0 H GLU A 125 -3.103 -9.914 11.173 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.585 -12.677 11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.050 -10.020 12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -5.490 -11.530 13.152 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.676 -10.524 13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -3.963 -9.705 14.373 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.467 -11.038 9.766 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.642 -11.041 8.899 1.00 0.00 C ATOM 1935 C LYS A 126 -6.331 -11.898 7.685 1.00 0.00 C ATOM 1936 O LYS A 126 -6.874 -12.998 7.576 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.105 -9.600 8.589 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.039 -9.411 7.387 1.00 0.00 C ATOM 1939 CD LYS A 126 -9.318 -10.251 7.395 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.944 -10.205 5.992 1.00 0.00 C ATOM 1941 NZ LYS A 126 -11.292 -10.804 5.947 1.00 0.00 N ATOM 0 H LYS A 126 -4.925 -10.176 9.700 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.504 -11.490 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.608 -9.208 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.218 -8.987 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.319 -8.359 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -7.482 -9.641 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -9.093 -11.280 7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -10.019 -9.865 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -10.001 -9.169 5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -9.294 -10.730 5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.666 -10.746 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.239 -11.801 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.923 -10.288 6.593 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.473 -11.424 6.780 1.00 0.00 N ATOM 1956 CA LEU A 127 -5.072 -12.186 5.607 1.00 0.00 C ATOM 1957 C LEU A 127 -4.223 -13.392 5.999 1.00 0.00 C ATOM 1958 O LEU A 127 -4.129 -14.339 5.219 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.294 -11.298 4.621 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.834 -9.872 4.412 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -4.047 -9.134 3.329 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.311 -9.873 4.030 1.00 0.00 C ATOM 0 H LEU A 127 -5.040 -10.503 6.844 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.979 -12.544 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.263 -11.226 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.271 -11.800 3.654 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.715 -9.357 5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.453 -8.130 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.999 -9.069 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.127 -9.677 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.652 -8.847 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.446 -10.428 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.892 -10.345 4.823 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.623 -13.376 7.192 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.601 -14.341 7.548 1.00 0.00 C ATOM 1976 C GLY A 128 -1.306 -13.933 6.859 1.00 0.00 C ATOM 1977 O GLY A 128 -0.622 -14.803 6.312 1.00 0.00 O ATOM 0 H GLY A 128 -3.834 -12.699 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.464 -14.370 8.629 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.898 -15.343 7.238 1.00 0.00 H new ATOM 1981 N MET A 129 -1.020 -12.622 6.784 1.00 0.00 N ATOM 1982 CA MET A 129 0.213 -12.173 6.136 1.00 0.00 C ATOM 1983 C MET A 129 1.408 -12.694 6.912 1.00 0.00 C ATOM 1984 O MET A 129 1.329 -12.797 8.155 1.00 0.00 O ATOM 1985 CB MET A 129 0.295 -10.649 5.972 1.00 0.00 C ATOM 1986 CG MET A 129 -0.634 -10.054 4.910 1.00 0.00 C ATOM 1987 SD MET A 129 -0.808 -10.953 3.340 1.00 0.00 S ATOM 1988 CE MET A 129 0.905 -11.010 2.760 1.00 0.00 C ATOM 1989 OXT MET A 129 2.401 -13.065 6.254 1.00 0.00 O ATOM 0 H MET A 129 -1.610 -11.877 7.154 1.00 0.00 H new ATOM 0 HA MET A 129 0.215 -12.582 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 129 0.068 -10.184 6.931 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.322 -10.382 5.724 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.626 -9.953 5.351 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.283 -9.048 4.683 1.00 0.00 H new ATOM 0 HE1 MET A 129 0.924 -11.303 1.710 1.00 0.00 H new ATOM 0 HE2 MET A 129 1.359 -10.025 2.870 1.00 0.00 H new ATOM 0 HE3 MET A 129 1.465 -11.736 3.350 1.00 0.00 H new TER 1999 MET A 129