USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1147 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 Single : A 1 MET CE :methyl -165:sc= -0.0852 (180deg=-0.38) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.0847 (180deg=-0.00285) USER MOD Single : A 3 THR OG1 : rot 170:sc= 0 USER MOD Single : A 9 SER OG : rot -140:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -160:sc= 0 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0.125 USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= 1.15 (180deg=0.639) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 0.0893 (180deg=-2.72!) USER MOD Single : A 46 LYS NZ :NH3+ -110:sc= 0.654 (180deg=-0.0798) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00223) USER MOD Single : A 50 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 62 THR OG1 : rot -92:sc= 0.0446 USER MOD Single : A 72 TYR OH : rot -80:sc= 0.0986 USER MOD Single : A 74 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -137:sc= -0.0096 (180deg=-0.423) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 89 GLN : amide:sc= -3.57! C(o=-3.6!,f=-1.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.013) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -141:sc= 0.721 (180deg=0.114) USER MOD Single : A 109 THR OG1 : rot -120:sc= -0.155 USER MOD Single : A 111 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.5!) USER MOD Single : A 116 LYS NZ :NH3+ 143:sc= 0.911 (180deg=0.186) USER MOD Single : A 117 LYS NZ :NH3+ -162:sc= 1.03 (180deg=0.836) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -156:sc= 0.822 (180deg=0.65) USER MOD Single : A 129 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.012) USER MOD Single : A 130 HIS : no HD1:sc= -0.853 K(o=-0.85,f=0.22) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-0.86) USER MOD Single : A 133 HIS : no HE2:sc= 0.334 K(o=0.33,f=-1.2) USER MOD Single : A 134 HIS : no HD1:sc= 0.117 K(o=0.12,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.674 17.226 0.589 1.00 63.10 N ATOM 2 CA MET A 1 2.843 16.093 0.118 1.00 42.34 C ATOM 3 C MET A 1 3.692 14.821 -0.045 1.00 23.13 C ATOM 4 O MET A 1 4.922 14.842 0.119 1.00 62.33 O ATOM 5 CB MET A 1 2.120 16.457 -1.211 1.00 1.21 C ATOM 6 CG MET A 1 1.041 17.544 -1.094 1.00 73.13 C ATOM 7 SD MET A 1 -0.327 17.076 -0.001 1.00 71.13 S ATOM 8 CE MET A 1 -0.960 15.583 -0.782 1.00 32.42 C ATOM 0 H1 MET A 1 3.362 17.514 1.539 1.00 63.10 H new ATOM 0 H2 MET A 1 4.671 16.933 0.626 1.00 63.10 H new ATOM 0 H3 MET A 1 3.572 18.027 -0.066 1.00 63.10 H new ATOM 0 HA MET A 1 2.082 15.892 0.872 1.00 42.34 H new ATOM 0 HB2 MET A 1 2.867 16.786 -1.934 1.00 1.21 H new ATOM 0 HB3 MET A 1 1.661 15.555 -1.615 1.00 1.21 H new ATOM 0 HG2 MET A 1 1.497 18.461 -0.722 1.00 73.13 H new ATOM 0 HG3 MET A 1 0.646 17.764 -2.086 1.00 73.13 H new ATOM 0 HE1 MET A 1 -1.944 15.350 -0.376 1.00 32.42 H new ATOM 0 HE2 MET A 1 -1.039 15.740 -1.858 1.00 32.42 H new ATOM 0 HE3 MET A 1 -0.281 14.754 -0.586 1.00 32.42 H new ATOM 20 N GLY A 2 3.008 13.714 -0.377 1.00 33.22 N ATOM 21 CA GLY A 2 3.611 12.385 -0.445 1.00 2.02 C ATOM 22 C GLY A 2 2.674 11.370 0.187 1.00 3.45 C ATOM 23 O GLY A 2 2.425 11.429 1.392 1.00 71.44 O ATOM 0 H GLY A 2 2.014 13.723 -0.606 1.00 33.22 H new ATOM 0 HA2 GLY A 2 3.809 12.116 -1.483 1.00 2.02 H new ATOM 0 HA3 GLY A 2 4.570 12.382 0.073 1.00 2.02 H new ATOM 27 N THR A 3 2.094 10.480 -0.626 1.00 53.32 N ATOM 28 CA THR A 3 1.070 9.525 -0.183 1.00 21.31 C ATOM 29 C THR A 3 1.474 8.103 -0.621 1.00 74.04 C ATOM 30 O THR A 3 1.524 7.810 -1.813 1.00 53.23 O ATOM 31 CB THR A 3 -0.312 9.951 -0.787 1.00 61.32 C ATOM 32 OG1 THR A 3 -0.613 11.300 -0.372 1.00 23.20 O ATOM 33 CG2 THR A 3 -1.461 9.031 -0.370 1.00 33.03 C ATOM 0 H THR A 3 2.323 10.401 -1.617 1.00 53.32 H new ATOM 0 HA THR A 3 0.983 9.525 0.904 1.00 21.31 H new ATOM 0 HB THR A 3 -0.223 9.880 -1.871 1.00 61.32 H new ATOM 0 HG1 THR A 3 -1.389 11.630 -0.871 1.00 23.20 H new ATOM 0 HG21 THR A 3 -2.389 9.381 -0.822 1.00 33.03 H new ATOM 0 HG22 THR A 3 -1.254 8.015 -0.706 1.00 33.03 H new ATOM 0 HG23 THR A 3 -1.559 9.041 0.716 1.00 33.03 H new ATOM 41 N VAL A 4 1.793 7.242 0.361 1.00 53.11 N ATOM 42 CA VAL A 4 2.375 5.905 0.124 1.00 2.44 C ATOM 43 C VAL A 4 1.339 4.795 0.427 1.00 30.31 C ATOM 44 O VAL A 4 1.003 4.547 1.580 1.00 60.01 O ATOM 45 CB VAL A 4 3.671 5.705 1.013 1.00 34.51 C ATOM 46 CG1 VAL A 4 4.392 4.383 0.669 1.00 54.42 C ATOM 47 CG2 VAL A 4 4.628 6.918 0.881 1.00 25.13 C ATOM 0 H VAL A 4 1.654 7.454 1.349 1.00 53.11 H new ATOM 0 HA VAL A 4 2.656 5.834 -0.927 1.00 2.44 H new ATOM 0 HB VAL A 4 3.353 5.642 2.054 1.00 34.51 H new ATOM 0 HG11 VAL A 4 5.277 4.277 1.297 1.00 54.42 H new ATOM 0 HG12 VAL A 4 3.719 3.544 0.846 1.00 54.42 H new ATOM 0 HG13 VAL A 4 4.690 4.393 -0.379 1.00 54.42 H new ATOM 0 HG21 VAL A 4 5.509 6.755 1.501 1.00 25.13 H new ATOM 0 HG22 VAL A 4 4.932 7.030 -0.160 1.00 25.13 H new ATOM 0 HG23 VAL A 4 4.116 7.823 1.209 1.00 25.13 H new ATOM 57 N VAL A 5 0.822 4.158 -0.631 1.00 15.41 N ATOM 58 CA VAL A 5 -0.131 3.034 -0.538 1.00 43.32 C ATOM 59 C VAL A 5 0.652 1.705 -0.607 1.00 5.34 C ATOM 60 O VAL A 5 1.315 1.438 -1.607 1.00 14.00 O ATOM 61 CB VAL A 5 -1.201 3.104 -1.707 1.00 1.52 C ATOM 62 CG1 VAL A 5 -2.247 1.964 -1.611 1.00 63.21 C ATOM 63 CG2 VAL A 5 -1.887 4.494 -1.750 1.00 61.43 C ATOM 0 H VAL A 5 1.054 4.409 -1.592 1.00 15.41 H new ATOM 0 HA VAL A 5 -0.667 3.096 0.409 1.00 43.32 H new ATOM 0 HB VAL A 5 -0.663 2.962 -2.644 1.00 1.52 H new ATOM 0 HG11 VAL A 5 -2.959 2.053 -2.432 1.00 63.21 H new ATOM 0 HG12 VAL A 5 -1.741 1.000 -1.672 1.00 63.21 H new ATOM 0 HG13 VAL A 5 -2.778 2.036 -0.662 1.00 63.21 H new ATOM 0 HG21 VAL A 5 -2.616 4.515 -2.560 1.00 61.43 H new ATOM 0 HG22 VAL A 5 -2.392 4.680 -0.802 1.00 61.43 H new ATOM 0 HG23 VAL A 5 -1.136 5.266 -1.918 1.00 61.43 H new ATOM 73 N ILE A 6 0.606 0.902 0.474 1.00 21.35 N ATOM 74 CA ILE A 6 1.331 -0.385 0.560 1.00 3.50 C ATOM 75 C ILE A 6 0.356 -1.552 0.352 1.00 52.11 C ATOM 76 O ILE A 6 -0.451 -1.866 1.223 1.00 24.43 O ATOM 77 CB ILE A 6 2.083 -0.522 1.941 1.00 62.02 C ATOM 78 CG1 ILE A 6 3.100 0.645 2.112 1.00 3.25 C ATOM 79 CG2 ILE A 6 2.794 -1.895 2.090 1.00 74.31 C ATOM 80 CD1 ILE A 6 4.100 0.769 0.967 1.00 52.44 C ATOM 0 H ILE A 6 0.067 1.125 1.311 1.00 21.35 H new ATOM 0 HA ILE A 6 2.082 -0.411 -0.229 1.00 3.50 H new ATOM 0 HB ILE A 6 1.334 -0.466 2.731 1.00 62.02 H new ATOM 0 HG12 ILE A 6 2.550 1.582 2.204 1.00 3.25 H new ATOM 0 HG13 ILE A 6 3.647 0.503 3.044 1.00 3.25 H new ATOM 0 HG21 ILE A 6 3.297 -1.941 3.056 1.00 74.31 H new ATOM 0 HG22 ILE A 6 2.057 -2.695 2.026 1.00 74.31 H new ATOM 0 HG23 ILE A 6 3.528 -2.013 1.293 1.00 74.31 H new ATOM 0 HD11 ILE A 6 4.773 1.604 1.161 1.00 52.44 H new ATOM 0 HD12 ILE A 6 4.678 -0.152 0.887 1.00 52.44 H new ATOM 0 HD13 ILE A 6 3.565 0.943 0.034 1.00 52.44 H new ATOM 92 N VAL A 7 0.432 -2.158 -0.833 1.00 21.42 N ATOM 93 CA VAL A 7 -0.376 -3.316 -1.217 1.00 71.23 C ATOM 94 C VAL A 7 0.477 -4.585 -1.090 1.00 74.10 C ATOM 95 O VAL A 7 1.425 -4.789 -1.850 1.00 2.22 O ATOM 96 CB VAL A 7 -0.918 -3.155 -2.685 1.00 55.21 C ATOM 97 CG1 VAL A 7 -1.708 -4.399 -3.150 1.00 32.10 C ATOM 98 CG2 VAL A 7 -1.774 -1.878 -2.801 1.00 11.13 C ATOM 0 H VAL A 7 1.070 -1.852 -1.568 1.00 21.42 H new ATOM 0 HA VAL A 7 -1.238 -3.391 -0.554 1.00 71.23 H new ATOM 0 HB VAL A 7 -0.058 -3.061 -3.348 1.00 55.21 H new ATOM 0 HG11 VAL A 7 -2.064 -4.244 -4.169 1.00 32.10 H new ATOM 0 HG12 VAL A 7 -1.059 -5.274 -3.121 1.00 32.10 H new ATOM 0 HG13 VAL A 7 -2.560 -4.557 -2.488 1.00 32.10 H new ATOM 0 HG21 VAL A 7 -2.143 -1.779 -3.822 1.00 11.13 H new ATOM 0 HG22 VAL A 7 -2.618 -1.942 -2.115 1.00 11.13 H new ATOM 0 HG23 VAL A 7 -1.167 -1.009 -2.548 1.00 11.13 H new ATOM 108 N VAL A 8 0.155 -5.391 -0.082 1.00 22.44 N ATOM 109 CA VAL A 8 0.770 -6.696 0.168 1.00 54.35 C ATOM 110 C VAL A 8 -0.266 -7.765 -0.197 1.00 65.42 C ATOM 111 O VAL A 8 -1.300 -7.850 0.458 1.00 64.23 O ATOM 112 CB VAL A 8 1.185 -6.824 1.689 1.00 12.30 C ATOM 113 CG1 VAL A 8 1.725 -8.231 2.025 1.00 44.40 C ATOM 114 CG2 VAL A 8 2.201 -5.722 2.083 1.00 24.42 C ATOM 0 H VAL A 8 -0.561 -5.150 0.604 1.00 22.44 H new ATOM 0 HA VAL A 8 1.673 -6.818 -0.431 1.00 54.35 H new ATOM 0 HB VAL A 8 0.283 -6.679 2.284 1.00 12.30 H new ATOM 0 HG11 VAL A 8 1.998 -8.274 3.079 1.00 44.40 H new ATOM 0 HG12 VAL A 8 0.955 -8.975 1.819 1.00 44.40 H new ATOM 0 HG13 VAL A 8 2.604 -8.439 1.414 1.00 44.40 H new ATOM 0 HG21 VAL A 8 2.469 -5.833 3.134 1.00 24.42 H new ATOM 0 HG22 VAL A 8 3.096 -5.816 1.468 1.00 24.42 H new ATOM 0 HG23 VAL A 8 1.753 -4.741 1.925 1.00 24.42 H new ATOM 124 N SER A 9 -0.035 -8.527 -1.277 1.00 70.11 N ATOM 125 CA SER A 9 -0.955 -9.606 -1.698 1.00 72.12 C ATOM 126 C SER A 9 -0.199 -10.931 -1.810 1.00 62.15 C ATOM 127 O SER A 9 1.005 -10.942 -2.075 1.00 22.24 O ATOM 128 CB SER A 9 -1.643 -9.259 -3.027 1.00 14.13 C ATOM 129 OG SER A 9 -2.336 -8.020 -2.950 1.00 15.11 O ATOM 0 H SER A 9 0.782 -8.419 -1.879 1.00 70.11 H new ATOM 0 HA SER A 9 -1.731 -9.709 -0.939 1.00 72.12 H new ATOM 0 HB2 SER A 9 -0.898 -9.211 -3.821 1.00 14.13 H new ATOM 0 HB3 SER A 9 -2.342 -10.052 -3.293 1.00 14.13 H new ATOM 0 HG SER A 9 -3.188 -8.092 -3.428 1.00 15.11 H new ATOM 135 N ARG A 10 -0.932 -12.038 -1.615 1.00 11.12 N ATOM 136 CA ARG A 10 -0.369 -13.400 -1.597 1.00 41.45 C ATOM 137 C ARG A 10 0.225 -13.789 -2.956 1.00 21.15 C ATOM 138 O ARG A 10 1.273 -14.441 -3.035 1.00 43.41 O ATOM 139 CB ARG A 10 -1.470 -14.413 -1.191 1.00 44.22 C ATOM 140 CG ARG A 10 -0.984 -15.872 -1.021 1.00 63.50 C ATOM 141 CD ARG A 10 -2.084 -16.800 -0.486 1.00 23.01 C ATOM 142 NE ARG A 10 -1.634 -18.199 -0.334 1.00 44.02 N ATOM 143 CZ ARG A 10 -1.438 -18.835 0.835 1.00 12.10 C ATOM 144 NH1 ARG A 10 -1.634 -18.219 1.996 1.00 33.21 N ATOM 145 NH2 ARG A 10 -1.036 -20.095 0.841 1.00 72.33 N ATOM 0 H ARG A 10 -1.940 -12.014 -1.464 1.00 11.12 H new ATOM 0 HA ARG A 10 0.440 -13.419 -0.866 1.00 41.45 H new ATOM 0 HB2 ARG A 10 -1.918 -14.083 -0.254 1.00 44.22 H new ATOM 0 HB3 ARG A 10 -2.257 -14.393 -1.945 1.00 44.22 H new ATOM 0 HG2 ARG A 10 -0.631 -16.248 -1.981 1.00 63.50 H new ATOM 0 HG3 ARG A 10 -0.134 -15.891 -0.339 1.00 63.50 H new ATOM 0 HD2 ARG A 10 -2.428 -16.428 0.479 1.00 23.01 H new ATOM 0 HD3 ARG A 10 -2.938 -16.770 -1.163 1.00 23.01 H new ATOM 0 HE ARG A 10 -1.457 -18.728 -1.188 1.00 44.02 H new ATOM 0 HH11 ARG A 10 -1.939 -17.246 2.012 1.00 33.21 H new ATOM 0 HH12 ARG A 10 -1.480 -18.719 2.871 1.00 33.21 H new ATOM 0 HH21 ARG A 10 -0.875 -20.583 -0.040 1.00 72.33 H new ATOM 0 HH22 ARG A 10 -0.887 -20.579 1.727 1.00 72.33 H new ATOM 159 N ASP A 11 -0.444 -13.360 -4.024 1.00 55.22 N ATOM 160 CA ASP A 11 -0.086 -13.743 -5.392 1.00 61.25 C ATOM 161 C ASP A 11 0.020 -12.484 -6.261 1.00 25.50 C ATOM 162 O ASP A 11 -0.668 -11.485 -6.009 1.00 54.55 O ATOM 163 CB ASP A 11 -1.146 -14.737 -5.953 1.00 61.12 C ATOM 164 CG ASP A 11 -0.562 -15.689 -7.015 1.00 73.42 C ATOM 165 OD1 ASP A 11 -0.377 -15.262 -8.167 1.00 2.21 O ATOM 166 OD2 ASP A 11 -0.257 -16.860 -6.685 1.00 43.05 O ATOM 0 H ASP A 11 -1.250 -12.737 -3.968 1.00 55.22 H new ATOM 0 HA ASP A 11 0.881 -14.245 -5.400 1.00 61.25 H new ATOM 0 HB2 ASP A 11 -1.559 -15.324 -5.132 1.00 61.12 H new ATOM 0 HB3 ASP A 11 -1.971 -14.174 -6.389 1.00 61.12 H new ATOM 171 N GLU A 12 0.885 -12.550 -7.286 1.00 43.14 N ATOM 172 CA GLU A 12 1.095 -11.445 -8.243 1.00 34.02 C ATOM 173 C GLU A 12 -0.069 -11.326 -9.232 1.00 75.05 C ATOM 174 O GLU A 12 -0.194 -10.304 -9.911 1.00 61.13 O ATOM 175 CB GLU A 12 2.448 -11.591 -8.976 1.00 54.15 C ATOM 176 CG GLU A 12 3.664 -11.402 -8.055 1.00 42.34 C ATOM 177 CD GLU A 12 5.003 -11.603 -8.765 1.00 41.33 C ATOM 178 OE1 GLU A 12 5.353 -10.766 -9.617 1.00 4.03 O ATOM 179 OE2 GLU A 12 5.707 -12.600 -8.480 1.00 74.24 O ATOM 0 H GLU A 12 1.460 -13.370 -7.477 1.00 43.14 H new ATOM 0 HA GLU A 12 1.127 -10.518 -7.671 1.00 34.02 H new ATOM 0 HB2 GLU A 12 2.499 -12.578 -9.435 1.00 54.15 H new ATOM 0 HB3 GLU A 12 2.496 -10.861 -9.784 1.00 54.15 H new ATOM 0 HG2 GLU A 12 3.635 -10.399 -7.629 1.00 42.34 H new ATOM 0 HG3 GLU A 12 3.593 -12.104 -7.224 1.00 42.34 H new ATOM 186 N ARG A 13 -0.901 -12.384 -9.324 1.00 33.22 N ATOM 187 CA ARG A 13 -2.169 -12.346 -10.071 1.00 4.32 C ATOM 188 C ARG A 13 -3.161 -11.368 -9.407 1.00 23.44 C ATOM 189 O ARG A 13 -3.954 -10.731 -10.096 1.00 2.32 O ATOM 190 CB ARG A 13 -2.806 -13.749 -10.175 1.00 4.21 C ATOM 191 CG ARG A 13 -1.975 -14.785 -10.952 1.00 52.45 C ATOM 192 CD ARG A 13 -2.658 -16.161 -10.982 1.00 4.21 C ATOM 193 NE ARG A 13 -1.789 -17.214 -11.528 1.00 23.32 N ATOM 194 CZ ARG A 13 -2.195 -18.455 -11.859 1.00 43.24 C ATOM 195 NH1 ARG A 13 -3.472 -18.809 -11.719 1.00 45.45 N ATOM 196 NH2 ARG A 13 -1.315 -19.347 -12.297 1.00 25.34 N ATOM 0 H ARG A 13 -0.711 -13.284 -8.883 1.00 33.22 H new ATOM 0 HA ARG A 13 -1.944 -11.998 -11.079 1.00 4.32 H new ATOM 0 HB2 ARG A 13 -2.981 -14.127 -9.168 1.00 4.21 H new ATOM 0 HB3 ARG A 13 -3.781 -13.654 -10.654 1.00 4.21 H new ATOM 0 HG2 ARG A 13 -1.820 -14.434 -11.972 1.00 52.45 H new ATOM 0 HG3 ARG A 13 -0.990 -14.878 -10.494 1.00 52.45 H new ATOM 0 HD2 ARG A 13 -2.961 -16.434 -9.971 1.00 4.21 H new ATOM 0 HD3 ARG A 13 -3.566 -16.098 -11.581 1.00 4.21 H new ATOM 0 HE ARG A 13 -0.804 -16.988 -11.667 1.00 23.32 H new ATOM 0 HH11 ARG A 13 -4.151 -18.138 -11.359 1.00 45.45 H new ATOM 0 HH12 ARG A 13 -3.771 -19.751 -11.972 1.00 45.45 H new ATOM 0 HH21 ARG A 13 -0.331 -19.093 -12.383 1.00 25.34 H new ATOM 0 HH22 ARG A 13 -1.623 -20.287 -12.548 1.00 25.34 H new ATOM 210 N ILE A 14 -3.109 -11.274 -8.062 1.00 13.31 N ATOM 211 CA ILE A 14 -3.899 -10.284 -7.305 1.00 44.42 C ATOM 212 C ILE A 14 -3.303 -8.875 -7.535 1.00 4.22 C ATOM 213 O ILE A 14 -4.035 -7.929 -7.816 1.00 44.32 O ATOM 214 CB ILE A 14 -3.937 -10.601 -5.755 1.00 33.41 C ATOM 215 CG1 ILE A 14 -4.414 -12.061 -5.479 1.00 53.40 C ATOM 216 CG2 ILE A 14 -4.840 -9.583 -5.003 1.00 2.41 C ATOM 217 CD1 ILE A 14 -4.336 -12.482 -4.016 1.00 64.40 C ATOM 0 H ILE A 14 -2.526 -11.874 -7.478 1.00 13.31 H new ATOM 0 HA ILE A 14 -4.926 -10.329 -7.669 1.00 44.42 H new ATOM 0 HB ILE A 14 -2.919 -10.506 -5.378 1.00 33.41 H new ATOM 0 HG12 ILE A 14 -5.444 -12.164 -5.820 1.00 53.40 H new ATOM 0 HG13 ILE A 14 -3.811 -12.746 -6.074 1.00 53.40 H new ATOM 0 HG21 ILE A 14 -4.850 -9.822 -3.940 1.00 2.41 H new ATOM 0 HG22 ILE A 14 -4.449 -8.576 -5.145 1.00 2.41 H new ATOM 0 HG23 ILE A 14 -5.855 -9.637 -5.397 1.00 2.41 H new ATOM 0 HD11 ILE A 14 -4.686 -13.509 -3.914 1.00 64.40 H new ATOM 0 HD12 ILE A 14 -3.304 -12.414 -3.672 1.00 64.40 H new ATOM 0 HD13 ILE A 14 -4.962 -11.824 -3.414 1.00 64.40 H new ATOM 229 N LEU A 15 -1.951 -8.781 -7.451 1.00 22.15 N ATOM 230 CA LEU A 15 -1.203 -7.509 -7.609 1.00 34.04 C ATOM 231 C LEU A 15 -1.461 -6.837 -8.983 1.00 50.50 C ATOM 232 O LEU A 15 -1.589 -5.612 -9.058 1.00 31.54 O ATOM 233 CB LEU A 15 0.329 -7.739 -7.416 1.00 55.21 C ATOM 234 CG LEU A 15 0.808 -8.179 -5.991 1.00 70.13 C ATOM 235 CD1 LEU A 15 2.332 -8.440 -5.976 1.00 55.34 C ATOM 236 CD2 LEU A 15 0.418 -7.136 -4.921 1.00 34.41 C ATOM 0 H LEU A 15 -1.350 -9.585 -7.272 1.00 22.15 H new ATOM 0 HA LEU A 15 -1.570 -6.835 -6.835 1.00 34.04 H new ATOM 0 HB2 LEU A 15 0.650 -8.497 -8.130 1.00 55.21 H new ATOM 0 HB3 LEU A 15 0.846 -6.815 -7.677 1.00 55.21 H new ATOM 0 HG LEU A 15 0.302 -9.112 -5.745 1.00 70.13 H new ATOM 0 HD11 LEU A 15 2.639 -8.744 -4.975 1.00 55.34 H new ATOM 0 HD12 LEU A 15 2.573 -9.232 -6.686 1.00 55.34 H new ATOM 0 HD13 LEU A 15 2.860 -7.529 -6.256 1.00 55.34 H new ATOM 0 HD21 LEU A 15 0.765 -7.471 -3.943 1.00 34.41 H new ATOM 0 HD22 LEU A 15 0.880 -6.178 -5.161 1.00 34.41 H new ATOM 0 HD23 LEU A 15 -0.666 -7.022 -4.902 1.00 34.41 H new ATOM 248 N GLU A 16 -1.535 -7.649 -10.059 1.00 41.42 N ATOM 249 CA GLU A 16 -1.727 -7.143 -11.442 1.00 70.51 C ATOM 250 C GLU A 16 -3.186 -6.692 -11.679 1.00 31.31 C ATOM 251 O GLU A 16 -3.440 -5.804 -12.505 1.00 14.21 O ATOM 252 CB GLU A 16 -1.299 -8.217 -12.479 1.00 74.31 C ATOM 253 CG GLU A 16 -2.150 -9.499 -12.469 1.00 44.33 C ATOM 254 CD GLU A 16 -1.684 -10.557 -13.480 1.00 43.13 C ATOM 255 OE1 GLU A 16 -0.750 -11.318 -13.172 1.00 61.22 O ATOM 256 OE2 GLU A 16 -2.250 -10.638 -14.588 1.00 65.23 O ATOM 0 H GLU A 16 -1.465 -8.665 -9.999 1.00 41.42 H new ATOM 0 HA GLU A 16 -1.090 -6.268 -11.572 1.00 70.51 H new ATOM 0 HB2 GLU A 16 -1.342 -7.777 -13.475 1.00 74.31 H new ATOM 0 HB3 GLU A 16 -0.259 -8.486 -12.294 1.00 74.31 H new ATOM 0 HG2 GLU A 16 -2.129 -9.931 -11.468 1.00 44.33 H new ATOM 0 HG3 GLU A 16 -3.187 -9.238 -12.681 1.00 44.33 H new ATOM 263 N GLU A 17 -4.131 -7.306 -10.946 1.00 72.02 N ATOM 264 CA GLU A 17 -5.544 -6.889 -10.951 1.00 1.24 C ATOM 265 C GLU A 17 -5.691 -5.528 -10.246 1.00 3.15 C ATOM 266 O GLU A 17 -6.321 -4.607 -10.777 1.00 32.03 O ATOM 267 CB GLU A 17 -6.418 -7.958 -10.249 1.00 53.03 C ATOM 268 CG GLU A 17 -6.551 -9.296 -11.006 1.00 74.41 C ATOM 269 CD GLU A 17 -7.441 -9.216 -12.258 1.00 33.32 C ATOM 270 OE1 GLU A 17 -6.924 -9.258 -13.394 1.00 30.35 O ATOM 271 OE2 GLU A 17 -8.677 -9.122 -12.109 1.00 62.12 O ATOM 0 H GLU A 17 -3.938 -8.101 -10.337 1.00 72.02 H new ATOM 0 HA GLU A 17 -5.882 -6.788 -11.982 1.00 1.24 H new ATOM 0 HB2 GLU A 17 -5.999 -8.157 -9.263 1.00 53.03 H new ATOM 0 HB3 GLU A 17 -7.415 -7.545 -10.094 1.00 53.03 H new ATOM 0 HG2 GLU A 17 -5.558 -9.637 -11.299 1.00 74.41 H new ATOM 0 HG3 GLU A 17 -6.959 -10.047 -10.329 1.00 74.41 H new ATOM 278 N LEU A 18 -5.060 -5.416 -9.057 1.00 35.14 N ATOM 279 CA LEU A 18 -5.068 -4.191 -8.232 1.00 42.15 C ATOM 280 C LEU A 18 -4.294 -3.057 -8.921 1.00 41.52 C ATOM 281 O LEU A 18 -4.585 -1.879 -8.699 1.00 0.42 O ATOM 282 CB LEU A 18 -4.476 -4.495 -6.823 1.00 41.03 C ATOM 283 CG LEU A 18 -5.257 -5.563 -5.988 1.00 43.33 C ATOM 284 CD1 LEU A 18 -4.626 -5.784 -4.599 1.00 25.10 C ATOM 285 CD2 LEU A 18 -6.742 -5.189 -5.871 1.00 42.20 C ATOM 0 H LEU A 18 -4.527 -6.180 -8.641 1.00 35.14 H new ATOM 0 HA LEU A 18 -6.099 -3.859 -8.113 1.00 42.15 H new ATOM 0 HB2 LEU A 18 -3.447 -4.834 -6.944 1.00 41.03 H new ATOM 0 HB3 LEU A 18 -4.441 -3.566 -6.253 1.00 41.03 H new ATOM 0 HG LEU A 18 -5.186 -6.509 -6.524 1.00 43.33 H new ATOM 0 HD11 LEU A 18 -5.200 -6.533 -4.054 1.00 25.10 H new ATOM 0 HD12 LEU A 18 -3.599 -6.129 -4.717 1.00 25.10 H new ATOM 0 HD13 LEU A 18 -4.632 -4.846 -4.043 1.00 25.10 H new ATOM 0 HD21 LEU A 18 -7.263 -5.947 -5.286 1.00 42.20 H new ATOM 0 HD22 LEU A 18 -6.836 -4.222 -5.377 1.00 42.20 H new ATOM 0 HD23 LEU A 18 -7.182 -5.133 -6.866 1.00 42.20 H new ATOM 297 N LEU A 19 -3.322 -3.450 -9.769 1.00 35.23 N ATOM 298 CA LEU A 19 -2.549 -2.533 -10.622 1.00 22.10 C ATOM 299 C LEU A 19 -3.484 -1.738 -11.536 1.00 4.11 C ATOM 300 O LEU A 19 -3.441 -0.506 -11.555 1.00 12.12 O ATOM 301 CB LEU A 19 -1.527 -3.331 -11.475 1.00 2.30 C ATOM 302 CG LEU A 19 -0.669 -2.508 -12.488 1.00 62.22 C ATOM 303 CD1 LEU A 19 0.284 -1.540 -11.765 1.00 45.21 C ATOM 304 CD2 LEU A 19 0.094 -3.433 -13.454 1.00 2.03 C ATOM 0 H LEU A 19 -3.051 -4.427 -9.880 1.00 35.23 H new ATOM 0 HA LEU A 19 -2.009 -1.835 -9.981 1.00 22.10 H new ATOM 0 HB2 LEU A 19 -0.849 -3.850 -10.797 1.00 2.30 H new ATOM 0 HB3 LEU A 19 -2.070 -4.096 -12.031 1.00 2.30 H new ATOM 0 HG LEU A 19 -1.354 -1.904 -13.083 1.00 62.22 H new ATOM 0 HD11 LEU A 19 0.865 -0.984 -12.501 1.00 45.21 H new ATOM 0 HD12 LEU A 19 -0.296 -0.844 -11.159 1.00 45.21 H new ATOM 0 HD13 LEU A 19 0.959 -2.106 -11.122 1.00 45.21 H new ATOM 0 HD21 LEU A 19 0.682 -2.831 -14.147 1.00 2.03 H new ATOM 0 HD22 LEU A 19 0.758 -4.084 -12.886 1.00 2.03 H new ATOM 0 HD23 LEU A 19 -0.617 -4.040 -14.014 1.00 2.03 H new ATOM 316 N GLU A 20 -4.353 -2.470 -12.258 1.00 70.45 N ATOM 317 CA GLU A 20 -5.309 -1.871 -13.199 1.00 0.11 C ATOM 318 C GLU A 20 -6.338 -0.991 -12.467 1.00 72.03 C ATOM 319 O GLU A 20 -6.780 0.009 -13.017 1.00 41.40 O ATOM 320 CB GLU A 20 -6.008 -2.965 -14.050 1.00 75.10 C ATOM 321 CG GLU A 20 -5.036 -3.820 -14.897 1.00 32.21 C ATOM 322 CD GLU A 20 -5.759 -4.740 -15.888 1.00 74.52 C ATOM 323 OE1 GLU A 20 -6.092 -5.879 -15.519 1.00 4.43 O ATOM 324 OE2 GLU A 20 -6.009 -4.323 -17.041 1.00 42.42 O ATOM 0 H GLU A 20 -4.410 -3.487 -12.204 1.00 70.45 H new ATOM 0 HA GLU A 20 -4.750 -1.226 -13.877 1.00 0.11 H new ATOM 0 HB2 GLU A 20 -6.570 -3.622 -13.387 1.00 75.10 H new ATOM 0 HB3 GLU A 20 -6.729 -2.489 -14.714 1.00 75.10 H new ATOM 0 HG2 GLU A 20 -4.364 -3.160 -15.446 1.00 32.21 H new ATOM 0 HG3 GLU A 20 -4.418 -4.424 -14.233 1.00 32.21 H new ATOM 331 N VAL A 21 -6.667 -1.352 -11.206 1.00 60.15 N ATOM 332 CA VAL A 21 -7.633 -0.600 -10.371 1.00 11.33 C ATOM 333 C VAL A 21 -7.059 0.779 -9.947 1.00 55.41 C ATOM 334 O VAL A 21 -7.816 1.762 -9.823 1.00 62.34 O ATOM 335 CB VAL A 21 -8.078 -1.437 -9.112 1.00 50.21 C ATOM 336 CG1 VAL A 21 -9.104 -0.677 -8.243 1.00 21.12 C ATOM 337 CG2 VAL A 21 -8.648 -2.810 -9.533 1.00 14.40 C ATOM 0 H VAL A 21 -6.273 -2.169 -10.740 1.00 60.15 H new ATOM 0 HA VAL A 21 -8.519 -0.420 -10.980 1.00 11.33 H new ATOM 0 HB VAL A 21 -7.185 -1.597 -8.507 1.00 50.21 H new ATOM 0 HG11 VAL A 21 -9.382 -1.292 -7.387 1.00 21.12 H new ATOM 0 HG12 VAL A 21 -8.663 0.256 -7.892 1.00 21.12 H new ATOM 0 HG13 VAL A 21 -9.992 -0.458 -8.836 1.00 21.12 H new ATOM 0 HG21 VAL A 21 -8.947 -3.367 -8.645 1.00 14.40 H new ATOM 0 HG22 VAL A 21 -9.514 -2.662 -10.178 1.00 14.40 H new ATOM 0 HG23 VAL A 21 -7.885 -3.371 -10.073 1.00 14.40 H new ATOM 347 N VAL A 22 -5.720 0.843 -9.740 1.00 53.42 N ATOM 348 CA VAL A 22 -4.994 2.125 -9.541 1.00 63.20 C ATOM 349 C VAL A 22 -5.210 3.028 -10.769 1.00 22.25 C ATOM 350 O VAL A 22 -5.556 4.209 -10.644 1.00 23.44 O ATOM 351 CB VAL A 22 -3.437 1.916 -9.345 1.00 14.50 C ATOM 352 CG1 VAL A 22 -2.693 3.260 -9.165 1.00 63.03 C ATOM 353 CG2 VAL A 22 -3.136 0.970 -8.173 1.00 24.23 C ATOM 0 H VAL A 22 -5.119 0.020 -9.706 1.00 53.42 H new ATOM 0 HA VAL A 22 -5.392 2.582 -8.635 1.00 63.20 H new ATOM 0 HB VAL A 22 -3.067 1.451 -10.258 1.00 14.50 H new ATOM 0 HG11 VAL A 22 -1.628 3.071 -9.034 1.00 63.03 H new ATOM 0 HG12 VAL A 22 -2.845 3.881 -10.048 1.00 63.03 H new ATOM 0 HG13 VAL A 22 -3.081 3.776 -8.287 1.00 63.03 H new ATOM 0 HG21 VAL A 22 -2.058 0.851 -8.069 1.00 24.23 H new ATOM 0 HG22 VAL A 22 -3.545 1.389 -7.253 1.00 24.23 H new ATOM 0 HG23 VAL A 22 -3.592 -0.002 -8.363 1.00 24.23 H new ATOM 363 N LEU A 23 -5.037 2.411 -11.951 1.00 42.14 N ATOM 364 CA LEU A 23 -5.090 3.100 -13.250 1.00 51.33 C ATOM 365 C LEU A 23 -6.541 3.509 -13.607 1.00 64.51 C ATOM 366 O LEU A 23 -6.746 4.480 -14.341 1.00 63.13 O ATOM 367 CB LEU A 23 -4.476 2.197 -14.362 1.00 2.12 C ATOM 368 CG LEU A 23 -3.102 1.506 -14.035 1.00 5.54 C ATOM 369 CD1 LEU A 23 -2.591 0.668 -15.225 1.00 61.30 C ATOM 370 CD2 LEU A 23 -2.029 2.508 -13.550 1.00 41.02 C ATOM 0 H LEU A 23 -4.855 1.411 -12.031 1.00 42.14 H new ATOM 0 HA LEU A 23 -4.500 4.013 -13.179 1.00 51.33 H new ATOM 0 HB2 LEU A 23 -5.199 1.418 -14.605 1.00 2.12 H new ATOM 0 HB3 LEU A 23 -4.347 2.803 -15.259 1.00 2.12 H new ATOM 0 HG LEU A 23 -3.291 0.827 -13.204 1.00 5.54 H new ATOM 0 HD11 LEU A 23 -1.640 0.206 -14.962 1.00 61.30 H new ATOM 0 HD12 LEU A 23 -3.318 -0.108 -15.462 1.00 61.30 H new ATOM 0 HD13 LEU A 23 -2.453 1.314 -16.092 1.00 61.30 H new ATOM 0 HD21 LEU A 23 -1.102 1.975 -13.339 1.00 41.02 H new ATOM 0 HD22 LEU A 23 -1.851 3.254 -14.325 1.00 41.02 H new ATOM 0 HD23 LEU A 23 -2.377 3.003 -12.643 1.00 41.02 H new ATOM 382 N LYS A 24 -7.545 2.752 -13.081 1.00 44.20 N ATOM 383 CA LYS A 24 -8.988 3.090 -13.234 1.00 14.24 C ATOM 384 C LYS A 24 -9.288 4.448 -12.576 1.00 61.40 C ATOM 385 O LYS A 24 -10.118 5.220 -13.070 1.00 41.13 O ATOM 386 CB LYS A 24 -9.921 2.007 -12.595 1.00 12.12 C ATOM 387 CG LYS A 24 -9.842 0.591 -13.199 1.00 12.23 C ATOM 388 CD LYS A 24 -10.114 0.532 -14.719 1.00 43.51 C ATOM 389 CE LYS A 24 -10.062 -0.915 -15.249 1.00 22.13 C ATOM 390 NZ LYS A 24 -10.288 -0.992 -16.719 1.00 53.13 N ATOM 0 H LYS A 24 -7.379 1.900 -12.545 1.00 44.20 H new ATOM 0 HA LYS A 24 -9.191 3.131 -14.304 1.00 14.24 H new ATOM 0 HB2 LYS A 24 -9.687 1.939 -11.533 1.00 12.12 H new ATOM 0 HB3 LYS A 24 -10.951 2.355 -12.673 1.00 12.12 H new ATOM 0 HG2 LYS A 24 -8.852 0.180 -13.003 1.00 12.23 H new ATOM 0 HG3 LYS A 24 -10.560 -0.050 -12.688 1.00 12.23 H new ATOM 0 HD2 LYS A 24 -11.093 0.963 -14.931 1.00 43.51 H new ATOM 0 HD3 LYS A 24 -9.377 1.139 -15.245 1.00 43.51 H new ATOM 0 HE2 LYS A 24 -9.092 -1.351 -15.010 1.00 22.13 H new ATOM 0 HE3 LYS A 24 -10.815 -1.513 -14.737 1.00 22.13 H new ATOM 0 HZ1 LYS A 24 -10.243 -1.985 -17.026 1.00 53.13 H new ATOM 0 HZ2 LYS A 24 -11.224 -0.601 -16.947 1.00 53.13 H new ATOM 0 HZ3 LYS A 24 -9.554 -0.444 -17.212 1.00 53.13 H new ATOM 404 N SER A 25 -8.607 4.706 -11.443 1.00 65.23 N ATOM 405 CA SER A 25 -8.737 5.957 -10.699 1.00 42.03 C ATOM 406 C SER A 25 -7.895 7.052 -11.385 1.00 52.23 C ATOM 407 O SER A 25 -8.436 7.908 -12.097 1.00 64.42 O ATOM 408 CB SER A 25 -8.315 5.745 -9.218 1.00 21.12 C ATOM 409 OG SER A 25 -8.545 6.913 -8.437 1.00 54.33 O ATOM 0 H SER A 25 -7.952 4.046 -11.024 1.00 65.23 H new ATOM 0 HA SER A 25 -9.778 6.281 -10.698 1.00 42.03 H new ATOM 0 HB2 SER A 25 -8.872 4.909 -8.796 1.00 21.12 H new ATOM 0 HB3 SER A 25 -7.259 5.479 -9.174 1.00 21.12 H new ATOM 0 HG SER A 25 -8.894 6.655 -7.558 1.00 54.33 H new ATOM 415 N ASP A 26 -6.559 6.980 -11.217 1.00 10.14 N ATOM 416 CA ASP A 26 -5.615 8.019 -11.687 1.00 10.51 C ATOM 417 C ASP A 26 -4.396 7.377 -12.385 1.00 30.33 C ATOM 418 O ASP A 26 -3.763 6.481 -11.812 1.00 71.14 O ATOM 419 CB ASP A 26 -5.127 8.912 -10.498 1.00 10.20 C ATOM 420 CG ASP A 26 -6.133 10.000 -10.082 1.00 45.04 C ATOM 421 OD1 ASP A 26 -7.255 9.654 -9.686 1.00 24.13 O ATOM 422 OD2 ASP A 26 -5.798 11.209 -10.161 1.00 23.14 O ATOM 0 H ASP A 26 -6.101 6.197 -10.750 1.00 10.14 H new ATOM 0 HA ASP A 26 -6.146 8.646 -12.403 1.00 10.51 H new ATOM 0 HB2 ASP A 26 -4.920 8.274 -9.639 1.00 10.20 H new ATOM 0 HB3 ASP A 26 -4.186 9.388 -10.776 1.00 10.20 H new ATOM 427 N PRO A 27 -4.039 7.840 -13.631 1.00 43.33 N ATOM 428 CA PRO A 27 -2.742 7.499 -14.284 1.00 25.53 C ATOM 429 C PRO A 27 -1.549 8.237 -13.636 1.00 50.34 C ATOM 430 O PRO A 27 -0.395 7.825 -13.800 1.00 41.03 O ATOM 431 CB PRO A 27 -2.954 7.963 -15.748 1.00 14.12 C ATOM 432 CG PRO A 27 -3.953 9.077 -15.649 1.00 34.23 C ATOM 433 CD PRO A 27 -4.890 8.686 -14.525 1.00 75.13 C ATOM 0 HA PRO A 27 -2.496 6.441 -14.192 1.00 25.53 H new ATOM 0 HB2 PRO A 27 -2.021 8.306 -16.195 1.00 14.12 H new ATOM 0 HB3 PRO A 27 -3.326 7.150 -16.372 1.00 14.12 H new ATOM 0 HG2 PRO A 27 -3.461 10.026 -15.437 1.00 34.23 H new ATOM 0 HG3 PRO A 27 -4.496 9.201 -16.586 1.00 34.23 H new ATOM 0 HD2 PRO A 27 -5.274 9.561 -14.001 1.00 75.13 H new ATOM 0 HD3 PRO A 27 -5.753 8.133 -14.897 1.00 75.13 H new ATOM 441 N ASN A 28 -1.859 9.324 -12.891 1.00 2.14 N ATOM 442 CA ASN A 28 -0.858 10.207 -12.246 1.00 44.33 C ATOM 443 C ASN A 28 -0.049 9.471 -11.168 1.00 32.35 C ATOM 444 O ASN A 28 1.076 9.863 -10.856 1.00 1.45 O ATOM 445 CB ASN A 28 -1.550 11.442 -11.616 1.00 54.23 C ATOM 446 CG ASN A 28 -2.305 12.297 -12.632 1.00 43.33 C ATOM 447 OD1 ASN A 28 -1.731 13.182 -13.266 1.00 11.33 O ATOM 448 ND2 ASN A 28 -3.595 12.052 -12.780 1.00 15.33 N ATOM 0 H ASN A 28 -2.821 9.616 -12.719 1.00 2.14 H new ATOM 0 HA ASN A 28 -0.169 10.529 -13.026 1.00 44.33 H new ATOM 0 HB2 ASN A 28 -2.245 11.107 -10.846 1.00 54.23 H new ATOM 0 HB3 ASN A 28 -0.799 12.057 -11.121 1.00 54.23 H new ATOM 0 HD21 ASN A 28 -4.147 12.604 -13.436 1.00 15.33 H new ATOM 0 HD22 ASN A 28 -4.039 11.310 -12.238 1.00 15.33 H new ATOM 455 N VAL A 29 -0.648 8.412 -10.615 1.00 23.15 N ATOM 456 CA VAL A 29 -0.051 7.601 -9.551 1.00 5.34 C ATOM 457 C VAL A 29 1.100 6.751 -10.113 1.00 14.35 C ATOM 458 O VAL A 29 0.959 6.158 -11.187 1.00 0.32 O ATOM 459 CB VAL A 29 -1.130 6.653 -8.907 1.00 75.30 C ATOM 460 CG1 VAL A 29 -0.569 5.897 -7.683 1.00 33.45 C ATOM 461 CG2 VAL A 29 -2.409 7.434 -8.543 1.00 43.02 C ATOM 0 H VAL A 29 -1.574 8.090 -10.898 1.00 23.15 H new ATOM 0 HA VAL A 29 0.335 8.275 -8.786 1.00 5.34 H new ATOM 0 HB VAL A 29 -1.395 5.906 -9.655 1.00 75.30 H new ATOM 0 HG11 VAL A 29 -1.344 5.253 -7.267 1.00 33.45 H new ATOM 0 HG12 VAL A 29 0.282 5.289 -7.990 1.00 33.45 H new ATOM 0 HG13 VAL A 29 -0.249 6.615 -6.928 1.00 33.45 H new ATOM 0 HG21 VAL A 29 -3.137 6.754 -8.100 1.00 43.02 H new ATOM 0 HG22 VAL A 29 -2.165 8.220 -7.828 1.00 43.02 H new ATOM 0 HG23 VAL A 29 -2.831 7.881 -9.443 1.00 43.02 H new ATOM 471 N LYS A 30 2.229 6.711 -9.394 1.00 25.33 N ATOM 472 CA LYS A 30 3.355 5.819 -9.719 1.00 32.52 C ATOM 473 C LYS A 30 3.069 4.422 -9.141 1.00 2.43 C ATOM 474 O LYS A 30 2.523 4.311 -8.051 1.00 23.04 O ATOM 475 CB LYS A 30 4.679 6.397 -9.148 1.00 64.30 C ATOM 476 CG LYS A 30 5.933 5.508 -9.342 1.00 12.54 C ATOM 477 CD LYS A 30 6.223 5.171 -10.825 1.00 13.35 C ATOM 478 CE LYS A 30 7.401 4.194 -10.985 1.00 22.30 C ATOM 479 NZ LYS A 30 7.607 3.792 -12.403 1.00 52.41 N ATOM 0 H LYS A 30 2.390 7.293 -8.572 1.00 25.33 H new ATOM 0 HA LYS A 30 3.465 5.741 -10.801 1.00 32.52 H new ATOM 0 HB2 LYS A 30 4.865 7.364 -9.616 1.00 64.30 H new ATOM 0 HB3 LYS A 30 4.546 6.579 -8.082 1.00 64.30 H new ATOM 0 HG2 LYS A 30 6.799 6.015 -8.916 1.00 12.54 H new ATOM 0 HG3 LYS A 30 5.802 4.580 -8.785 1.00 12.54 H new ATOM 0 HD2 LYS A 30 5.331 4.738 -11.277 1.00 13.35 H new ATOM 0 HD3 LYS A 30 6.441 6.091 -11.368 1.00 13.35 H new ATOM 0 HE2 LYS A 30 8.311 4.659 -10.605 1.00 22.30 H new ATOM 0 HE3 LYS A 30 7.219 3.306 -10.380 1.00 22.30 H new ATOM 0 HZ1 LYS A 30 8.410 3.134 -12.464 1.00 52.41 H new ATOM 0 HZ2 LYS A 30 6.749 3.325 -12.760 1.00 52.41 H new ATOM 0 HZ3 LYS A 30 7.806 4.636 -12.978 1.00 52.41 H new ATOM 493 N THR A 31 3.405 3.364 -9.889 1.00 31.44 N ATOM 494 CA THR A 31 3.272 1.976 -9.419 1.00 34.41 C ATOM 495 C THR A 31 4.639 1.271 -9.497 1.00 34.04 C ATOM 496 O THR A 31 5.366 1.423 -10.486 1.00 64.14 O ATOM 497 CB THR A 31 2.212 1.197 -10.258 1.00 55.41 C ATOM 498 OG1 THR A 31 2.598 1.174 -11.643 1.00 63.34 O ATOM 499 CG2 THR A 31 0.794 1.810 -10.127 1.00 43.12 C ATOM 0 H THR A 31 3.776 3.444 -10.836 1.00 31.44 H new ATOM 0 HA THR A 31 2.931 1.992 -8.384 1.00 34.41 H new ATOM 0 HB THR A 31 2.174 0.181 -9.864 1.00 55.41 H new ATOM 0 HG1 THR A 31 1.814 0.979 -12.198 1.00 63.34 H new ATOM 0 HG21 THR A 31 0.091 1.233 -10.729 1.00 43.12 H new ATOM 0 HG22 THR A 31 0.482 1.786 -9.083 1.00 43.12 H new ATOM 0 HG23 THR A 31 0.810 2.842 -10.477 1.00 43.12 H new ATOM 507 N VAL A 32 4.992 0.528 -8.430 1.00 0.22 N ATOM 508 CA VAL A 32 6.272 -0.213 -8.320 1.00 25.33 C ATOM 509 C VAL A 32 5.990 -1.591 -7.704 1.00 32.40 C ATOM 510 O VAL A 32 5.586 -1.668 -6.546 1.00 32.33 O ATOM 511 CB VAL A 32 7.330 0.562 -7.417 1.00 71.41 C ATOM 512 CG1 VAL A 32 8.663 -0.220 -7.271 1.00 45.02 C ATOM 513 CG2 VAL A 32 7.587 1.994 -7.939 1.00 3.22 C ATOM 0 H VAL A 32 4.394 0.422 -7.611 1.00 0.22 H new ATOM 0 HA VAL A 32 6.699 -0.312 -9.318 1.00 25.33 H new ATOM 0 HB VAL A 32 6.888 0.640 -6.424 1.00 71.41 H new ATOM 0 HG11 VAL A 32 9.352 0.349 -6.647 1.00 45.02 H new ATOM 0 HG12 VAL A 32 8.468 -1.187 -6.808 1.00 45.02 H new ATOM 0 HG13 VAL A 32 9.106 -0.371 -8.255 1.00 45.02 H new ATOM 0 HG21 VAL A 32 8.314 2.490 -7.297 1.00 3.22 H new ATOM 0 HG22 VAL A 32 7.975 1.946 -8.957 1.00 3.22 H new ATOM 0 HG23 VAL A 32 6.653 2.557 -7.932 1.00 3.22 H new ATOM 523 N ARG A 33 6.213 -2.680 -8.473 1.00 60.10 N ATOM 524 CA ARG A 33 6.011 -4.052 -7.972 1.00 74.03 C ATOM 525 C ARG A 33 7.380 -4.643 -7.609 1.00 2.52 C ATOM 526 O ARG A 33 8.084 -5.218 -8.451 1.00 22.52 O ATOM 527 CB ARG A 33 5.234 -4.937 -8.996 1.00 22.13 C ATOM 528 CG ARG A 33 5.072 -6.422 -8.575 1.00 42.13 C ATOM 529 CD ARG A 33 4.037 -7.188 -9.422 1.00 2.10 C ATOM 530 NE ARG A 33 4.203 -6.969 -10.877 1.00 12.24 N ATOM 531 CZ ARG A 33 4.138 -7.918 -11.825 1.00 4.04 C ATOM 532 NH1 ARG A 33 3.922 -9.195 -11.508 1.00 13.34 N ATOM 533 NH2 ARG A 33 4.286 -7.571 -13.097 1.00 72.23 N ATOM 0 H ARG A 33 6.532 -2.632 -9.441 1.00 60.10 H new ATOM 0 HA ARG A 33 5.386 -4.026 -7.079 1.00 74.03 H new ATOM 0 HB2 ARG A 33 4.244 -4.507 -9.150 1.00 22.13 H new ATOM 0 HB3 ARG A 33 5.751 -4.899 -9.955 1.00 22.13 H new ATOM 0 HG2 ARG A 33 6.037 -6.922 -8.654 1.00 42.13 H new ATOM 0 HG3 ARG A 33 4.776 -6.465 -7.527 1.00 42.13 H new ATOM 0 HD2 ARG A 33 4.119 -8.254 -9.209 1.00 2.10 H new ATOM 0 HD3 ARG A 33 3.034 -6.880 -9.126 1.00 2.10 H new ATOM 0 HE ARG A 33 4.382 -6.014 -11.186 1.00 12.24 H new ATOM 0 HH11 ARG A 33 3.803 -9.465 -10.532 1.00 13.34 H new ATOM 0 HH12 ARG A 33 3.876 -9.902 -12.242 1.00 13.34 H new ATOM 0 HH21 ARG A 33 4.447 -6.594 -13.344 1.00 72.23 H new ATOM 0 HH22 ARG A 33 4.239 -8.281 -13.828 1.00 72.23 H new ATOM 547 N THR A 34 7.766 -4.420 -6.352 1.00 0.42 N ATOM 548 CA THR A 34 9.041 -4.867 -5.787 1.00 12.03 C ATOM 549 C THR A 34 8.766 -5.801 -4.603 1.00 34.42 C ATOM 550 O THR A 34 7.610 -6.009 -4.222 1.00 14.54 O ATOM 551 CB THR A 34 9.915 -3.628 -5.354 1.00 65.05 C ATOM 552 OG1 THR A 34 11.224 -4.052 -4.929 1.00 34.12 O ATOM 553 CG2 THR A 34 9.254 -2.797 -4.236 1.00 14.50 C ATOM 0 H THR A 34 7.188 -3.912 -5.683 1.00 0.42 H new ATOM 0 HA THR A 34 9.606 -5.416 -6.540 1.00 12.03 H new ATOM 0 HB THR A 34 10.002 -2.990 -6.233 1.00 65.05 H new ATOM 0 HG1 THR A 34 11.875 -3.346 -5.122 1.00 34.12 H new ATOM 0 HG21 THR A 34 9.899 -1.957 -3.977 1.00 14.50 H new ATOM 0 HG22 THR A 34 8.291 -2.422 -4.582 1.00 14.50 H new ATOM 0 HG23 THR A 34 9.104 -3.424 -3.357 1.00 14.50 H new ATOM 561 N ASP A 35 9.824 -6.395 -4.056 1.00 3.22 N ATOM 562 CA ASP A 35 9.763 -7.160 -2.797 1.00 72.21 C ATOM 563 C ASP A 35 10.738 -6.563 -1.776 1.00 25.51 C ATOM 564 O ASP A 35 10.713 -6.930 -0.599 1.00 73.23 O ATOM 565 CB ASP A 35 10.063 -8.659 -3.040 1.00 25.44 C ATOM 566 CG ASP A 35 9.047 -9.320 -3.984 1.00 50.31 C ATOM 567 OD1 ASP A 35 9.416 -9.694 -5.121 1.00 74.14 O ATOM 568 OD2 ASP A 35 7.861 -9.453 -3.596 1.00 24.11 O ATOM 0 H ASP A 35 10.756 -6.363 -4.470 1.00 3.22 H new ATOM 0 HA ASP A 35 8.752 -7.090 -2.397 1.00 72.21 H new ATOM 0 HB2 ASP A 35 11.064 -8.762 -3.460 1.00 25.44 H new ATOM 0 HB3 ASP A 35 10.062 -9.185 -2.085 1.00 25.44 H new ATOM 573 N ASP A 36 11.587 -5.624 -2.240 1.00 52.53 N ATOM 574 CA ASP A 36 12.602 -4.967 -1.407 1.00 14.21 C ATOM 575 C ASP A 36 11.996 -3.778 -0.653 1.00 23.42 C ATOM 576 O ASP A 36 11.562 -2.803 -1.273 1.00 24.44 O ATOM 577 CB ASP A 36 13.798 -4.482 -2.265 1.00 41.24 C ATOM 578 CG ASP A 36 14.570 -5.640 -2.906 1.00 70.31 C ATOM 579 OD1 ASP A 36 15.378 -6.284 -2.206 1.00 34.32 O ATOM 580 OD2 ASP A 36 14.380 -5.909 -4.108 1.00 65.40 O ATOM 0 H ASP A 36 11.584 -5.302 -3.208 1.00 52.53 H new ATOM 0 HA ASP A 36 12.963 -5.701 -0.687 1.00 14.21 H new ATOM 0 HB2 ASP A 36 13.433 -3.816 -3.047 1.00 41.24 H new ATOM 0 HB3 ASP A 36 14.476 -3.899 -1.641 1.00 41.24 H new ATOM 585 N LYS A 37 12.007 -3.868 0.691 1.00 52.45 N ATOM 586 CA LYS A 37 11.601 -2.775 1.603 1.00 2.14 C ATOM 587 C LYS A 37 12.545 -1.561 1.464 1.00 45.23 C ATOM 588 O LYS A 37 12.178 -0.430 1.814 1.00 61.50 O ATOM 589 CB LYS A 37 11.574 -3.291 3.076 1.00 23.51 C ATOM 590 CG LYS A 37 12.931 -3.813 3.623 1.00 55.15 C ATOM 591 CD LYS A 37 12.808 -4.434 5.040 1.00 72.32 C ATOM 592 CE LYS A 37 14.152 -4.935 5.599 1.00 41.45 C ATOM 593 NZ LYS A 37 14.018 -5.478 6.982 1.00 42.12 N ATOM 0 H LYS A 37 12.302 -4.712 1.183 1.00 52.45 H new ATOM 0 HA LYS A 37 10.598 -2.448 1.329 1.00 2.14 H new ATOM 0 HB2 LYS A 37 11.229 -2.482 3.720 1.00 23.51 H new ATOM 0 HB3 LYS A 37 10.839 -4.093 3.149 1.00 23.51 H new ATOM 0 HG2 LYS A 37 13.331 -4.560 2.937 1.00 55.15 H new ATOM 0 HG3 LYS A 37 13.646 -2.991 3.652 1.00 55.15 H new ATOM 0 HD2 LYS A 37 12.393 -3.691 5.721 1.00 72.32 H new ATOM 0 HD3 LYS A 37 12.103 -5.265 5.006 1.00 72.32 H new ATOM 0 HE2 LYS A 37 14.551 -5.709 4.943 1.00 41.45 H new ATOM 0 HE3 LYS A 37 14.871 -4.116 5.600 1.00 41.45 H new ATOM 0 HZ1 LYS A 37 14.928 -5.393 7.478 1.00 42.12 H new ATOM 0 HZ2 LYS A 37 13.291 -4.941 7.497 1.00 42.12 H new ATOM 0 HZ3 LYS A 37 13.741 -6.479 6.936 1.00 42.12 H new ATOM 607 N GLU A 38 13.762 -1.836 0.956 1.00 50.45 N ATOM 608 CA GLU A 38 14.781 -0.824 0.628 1.00 43.51 C ATOM 609 C GLU A 38 14.331 0.016 -0.576 1.00 33.23 C ATOM 610 O GLU A 38 14.313 1.254 -0.515 1.00 54.32 O ATOM 611 CB GLU A 38 16.122 -1.523 0.293 1.00 32.20 C ATOM 612 CG GLU A 38 16.653 -2.445 1.394 1.00 32.20 C ATOM 613 CD GLU A 38 17.915 -3.200 0.959 1.00 72.43 C ATOM 614 OE1 GLU A 38 19.038 -2.720 1.223 1.00 51.40 O ATOM 615 OE2 GLU A 38 17.788 -4.264 0.323 1.00 64.23 O ATOM 0 H GLU A 38 14.069 -2.788 0.759 1.00 50.45 H new ATOM 0 HA GLU A 38 14.913 -0.169 1.489 1.00 43.51 H new ATOM 0 HB2 GLU A 38 15.995 -2.105 -0.620 1.00 32.20 H new ATOM 0 HB3 GLU A 38 16.872 -0.760 0.083 1.00 32.20 H new ATOM 0 HG2 GLU A 38 16.873 -1.856 2.284 1.00 32.20 H new ATOM 0 HG3 GLU A 38 15.880 -3.162 1.669 1.00 32.20 H new ATOM 622 N LYS A 39 13.948 -0.705 -1.660 1.00 70.14 N ATOM 623 CA LYS A 39 13.550 -0.103 -2.940 1.00 44.30 C ATOM 624 C LYS A 39 12.337 0.821 -2.760 1.00 31.02 C ATOM 625 O LYS A 39 12.272 1.888 -3.377 1.00 31.41 O ATOM 626 CB LYS A 39 13.257 -1.199 -4.009 1.00 24.44 C ATOM 627 CG LYS A 39 12.966 -0.659 -5.438 1.00 61.04 C ATOM 628 CD LYS A 39 14.124 0.220 -5.975 1.00 20.24 C ATOM 629 CE LYS A 39 13.847 0.840 -7.352 1.00 44.32 C ATOM 630 NZ LYS A 39 14.929 1.787 -7.742 1.00 42.04 N ATOM 0 H LYS A 39 13.909 -1.724 -1.662 1.00 70.14 H new ATOM 0 HA LYS A 39 14.385 0.500 -3.297 1.00 44.30 H new ATOM 0 HB2 LYS A 39 14.111 -1.875 -4.059 1.00 24.44 H new ATOM 0 HB3 LYS A 39 12.402 -1.789 -3.678 1.00 24.44 H new ATOM 0 HG2 LYS A 39 12.803 -1.497 -6.116 1.00 61.04 H new ATOM 0 HG3 LYS A 39 12.045 -0.076 -5.424 1.00 61.04 H new ATOM 0 HD2 LYS A 39 14.322 1.019 -5.261 1.00 20.24 H new ATOM 0 HD3 LYS A 39 15.029 -0.385 -6.035 1.00 20.24 H new ATOM 0 HE2 LYS A 39 13.764 0.051 -8.099 1.00 44.32 H new ATOM 0 HE3 LYS A 39 12.891 1.363 -7.333 1.00 44.32 H new ATOM 0 HZ1 LYS A 39 14.716 2.191 -8.676 1.00 42.04 H new ATOM 0 HZ2 LYS A 39 14.991 2.552 -7.040 1.00 42.04 H new ATOM 0 HZ3 LYS A 39 15.836 1.280 -7.783 1.00 42.04 H new ATOM 644 N VAL A 40 11.403 0.402 -1.884 1.00 41.31 N ATOM 645 CA VAL A 40 10.207 1.185 -1.562 1.00 62.22 C ATOM 646 C VAL A 40 10.583 2.572 -1.001 1.00 24.43 C ATOM 647 O VAL A 40 10.054 3.569 -1.460 1.00 15.13 O ATOM 648 CB VAL A 40 9.272 0.451 -0.540 1.00 13.42 C ATOM 649 CG1 VAL A 40 7.982 1.262 -0.295 1.00 50.40 C ATOM 650 CG2 VAL A 40 8.942 -0.978 -1.012 1.00 35.32 C ATOM 0 H VAL A 40 11.461 -0.486 -1.385 1.00 41.31 H new ATOM 0 HA VAL A 40 9.662 1.307 -2.498 1.00 62.22 H new ATOM 0 HB VAL A 40 9.808 0.373 0.406 1.00 13.42 H new ATOM 0 HG11 VAL A 40 7.349 0.733 0.417 1.00 50.40 H new ATOM 0 HG12 VAL A 40 8.239 2.242 0.106 1.00 50.40 H new ATOM 0 HG13 VAL A 40 7.445 1.385 -1.236 1.00 50.40 H new ATOM 0 HG21 VAL A 40 8.292 -1.461 -0.282 1.00 35.32 H new ATOM 0 HG22 VAL A 40 8.436 -0.935 -1.976 1.00 35.32 H new ATOM 0 HG23 VAL A 40 9.864 -1.550 -1.112 1.00 35.32 H new ATOM 660 N LYS A 41 11.528 2.607 -0.032 1.00 0.02 N ATOM 661 CA LYS A 41 11.959 3.865 0.638 1.00 75.33 C ATOM 662 C LYS A 41 12.588 4.862 -0.358 1.00 42.01 C ATOM 663 O LYS A 41 12.447 6.085 -0.206 1.00 74.14 O ATOM 664 CB LYS A 41 12.959 3.573 1.788 1.00 61.43 C ATOM 665 CG LYS A 41 12.394 2.686 2.915 1.00 50.43 C ATOM 666 CD LYS A 41 13.408 2.493 4.068 1.00 73.40 C ATOM 667 CE LYS A 41 12.926 1.503 5.142 1.00 42.11 C ATOM 668 NZ LYS A 41 12.802 0.115 4.617 1.00 21.22 N ATOM 0 H LYS A 41 12.011 1.775 0.307 1.00 0.02 H new ATOM 0 HA LYS A 41 11.061 4.321 1.055 1.00 75.33 H new ATOM 0 HB2 LYS A 41 13.842 3.090 1.371 1.00 61.43 H new ATOM 0 HB3 LYS A 41 13.286 4.520 2.217 1.00 61.43 H new ATOM 0 HG2 LYS A 41 11.482 3.136 3.307 1.00 50.43 H new ATOM 0 HG3 LYS A 41 12.120 1.713 2.507 1.00 50.43 H new ATOM 0 HD2 LYS A 41 14.353 2.140 3.656 1.00 73.40 H new ATOM 0 HD3 LYS A 41 13.605 3.458 4.535 1.00 73.40 H new ATOM 0 HE2 LYS A 41 13.623 1.511 5.980 1.00 42.11 H new ATOM 0 HE3 LYS A 41 11.961 1.831 5.528 1.00 42.11 H new ATOM 0 HZ1 LYS A 41 11.845 -0.244 4.808 1.00 21.22 H new ATOM 0 HZ2 LYS A 41 12.973 0.115 3.591 1.00 21.22 H new ATOM 0 HZ3 LYS A 41 13.501 -0.497 5.084 1.00 21.22 H new ATOM 682 N GLU A 42 13.268 4.316 -1.376 1.00 2.44 N ATOM 683 CA GLU A 42 13.874 5.105 -2.464 1.00 0.02 C ATOM 684 C GLU A 42 12.774 5.708 -3.353 1.00 31.11 C ATOM 685 O GLU A 42 12.841 6.883 -3.725 1.00 21.13 O ATOM 686 CB GLU A 42 14.822 4.212 -3.297 1.00 54.32 C ATOM 687 CG GLU A 42 15.957 3.574 -2.478 1.00 42.22 C ATOM 688 CD GLU A 42 16.855 2.657 -3.322 1.00 64.33 C ATOM 689 OE1 GLU A 42 18.028 3.009 -3.584 1.00 13.11 O ATOM 690 OE2 GLU A 42 16.382 1.584 -3.739 1.00 72.11 O ATOM 0 H GLU A 42 13.415 3.311 -1.471 1.00 2.44 H new ATOM 0 HA GLU A 42 14.455 5.921 -2.035 1.00 0.02 H new ATOM 0 HB2 GLU A 42 14.239 3.421 -3.769 1.00 54.32 H new ATOM 0 HB3 GLU A 42 15.257 4.809 -4.099 1.00 54.32 H new ATOM 0 HG2 GLU A 42 16.565 4.362 -2.033 1.00 42.22 H new ATOM 0 HG3 GLU A 42 15.528 3.000 -1.657 1.00 42.22 H new ATOM 697 N GLU A 43 11.746 4.885 -3.647 1.00 54.03 N ATOM 698 CA GLU A 43 10.581 5.286 -4.464 1.00 63.54 C ATOM 699 C GLU A 43 9.658 6.261 -3.690 1.00 43.42 C ATOM 700 O GLU A 43 8.966 7.083 -4.304 1.00 12.41 O ATOM 701 CB GLU A 43 9.787 4.028 -4.925 1.00 0.43 C ATOM 702 CG GLU A 43 10.562 3.060 -5.845 1.00 2.12 C ATOM 703 CD GLU A 43 11.074 3.707 -7.150 1.00 54.22 C ATOM 704 OE1 GLU A 43 12.302 3.856 -7.319 1.00 73.13 O ATOM 705 OE2 GLU A 43 10.251 4.084 -8.012 1.00 73.11 O ATOM 0 H GLU A 43 11.700 3.919 -3.323 1.00 54.03 H new ATOM 0 HA GLU A 43 10.951 5.810 -5.345 1.00 63.54 H new ATOM 0 HB2 GLU A 43 9.461 3.480 -4.041 1.00 0.43 H new ATOM 0 HB3 GLU A 43 8.888 4.357 -5.446 1.00 0.43 H new ATOM 0 HG2 GLU A 43 11.411 2.655 -5.295 1.00 2.12 H new ATOM 0 HG3 GLU A 43 9.915 2.220 -6.098 1.00 2.12 H new ATOM 712 N ILE A 44 9.678 6.159 -2.338 1.00 15.33 N ATOM 713 CA ILE A 44 8.935 7.052 -1.428 1.00 33.45 C ATOM 714 C ILE A 44 9.477 8.486 -1.564 1.00 15.23 C ATOM 715 O ILE A 44 8.707 9.415 -1.768 1.00 54.42 O ATOM 716 CB ILE A 44 9.027 6.551 0.085 1.00 0.21 C ATOM 717 CG1 ILE A 44 8.139 5.280 0.318 1.00 4.11 C ATOM 718 CG2 ILE A 44 8.665 7.661 1.100 1.00 13.42 C ATOM 719 CD1 ILE A 44 8.208 4.685 1.722 1.00 54.31 C ATOM 0 H ILE A 44 10.218 5.445 -1.848 1.00 15.33 H new ATOM 0 HA ILE A 44 7.882 7.037 -1.708 1.00 33.45 H new ATOM 0 HB ILE A 44 10.069 6.283 0.259 1.00 0.21 H new ATOM 0 HG12 ILE A 44 7.102 5.536 0.100 1.00 4.11 H new ATOM 0 HG13 ILE A 44 8.435 4.514 -0.399 1.00 4.11 H new ATOM 0 HG21 ILE A 44 8.744 7.267 2.113 1.00 13.42 H new ATOM 0 HG22 ILE A 44 9.351 8.500 0.982 1.00 13.42 H new ATOM 0 HG23 ILE A 44 7.645 7.999 0.921 1.00 13.42 H new ATOM 0 HD11 ILE A 44 7.559 3.811 1.779 1.00 54.31 H new ATOM 0 HD12 ILE A 44 9.234 4.390 1.942 1.00 54.31 H new ATOM 0 HD13 ILE A 44 7.880 5.428 2.449 1.00 54.31 H new ATOM 731 N GLU A 45 10.820 8.619 -1.488 1.00 41.43 N ATOM 732 CA GLU A 45 11.529 9.911 -1.623 1.00 40.31 C ATOM 733 C GLU A 45 11.236 10.599 -2.970 1.00 41.33 C ATOM 734 O GLU A 45 11.031 11.815 -3.015 1.00 73.14 O ATOM 735 CB GLU A 45 13.059 9.701 -1.459 1.00 51.02 C ATOM 736 CG GLU A 45 13.523 9.470 -0.013 1.00 63.45 C ATOM 737 CD GLU A 45 13.380 10.728 0.867 1.00 61.22 C ATOM 738 OE1 GLU A 45 14.320 11.555 0.906 1.00 52.51 O ATOM 739 OE2 GLU A 45 12.333 10.908 1.508 1.00 71.13 O ATOM 0 H GLU A 45 11.446 7.829 -1.330 1.00 41.43 H new ATOM 0 HA GLU A 45 11.161 10.566 -0.833 1.00 40.31 H new ATOM 0 HB2 GLU A 45 13.362 8.847 -2.064 1.00 51.02 H new ATOM 0 HB3 GLU A 45 13.577 10.574 -1.857 1.00 51.02 H new ATOM 0 HG2 GLU A 45 12.943 8.658 0.425 1.00 63.45 H new ATOM 0 HG3 GLU A 45 14.565 9.151 -0.017 1.00 63.45 H new ATOM 746 N LYS A 46 11.220 9.800 -4.051 1.00 71.34 N ATOM 747 CA LYS A 46 10.940 10.284 -5.414 1.00 33.12 C ATOM 748 C LYS A 46 9.505 10.848 -5.508 1.00 53.20 C ATOM 749 O LYS A 46 9.311 11.996 -5.923 1.00 20.42 O ATOM 750 CB LYS A 46 11.153 9.125 -6.426 1.00 13.11 C ATOM 751 CG LYS A 46 12.611 8.603 -6.499 1.00 13.32 C ATOM 752 CD LYS A 46 12.732 7.257 -7.258 1.00 0.35 C ATOM 753 CE LYS A 46 12.244 7.326 -8.714 1.00 1.11 C ATOM 754 NZ LYS A 46 12.255 5.990 -9.378 1.00 12.54 N ATOM 0 H LYS A 46 11.401 8.797 -4.004 1.00 71.34 H new ATOM 0 HA LYS A 46 11.627 11.094 -5.657 1.00 33.12 H new ATOM 0 HB2 LYS A 46 10.496 8.298 -6.157 1.00 13.11 H new ATOM 0 HB3 LYS A 46 10.850 9.463 -7.417 1.00 13.11 H new ATOM 0 HG2 LYS A 46 13.235 9.349 -6.991 1.00 13.32 H new ATOM 0 HG3 LYS A 46 12.999 8.480 -5.488 1.00 13.32 H new ATOM 0 HD2 LYS A 46 13.774 6.936 -7.247 1.00 0.35 H new ATOM 0 HD3 LYS A 46 12.159 6.497 -6.727 1.00 0.35 H new ATOM 0 HE2 LYS A 46 11.233 7.733 -8.737 1.00 1.11 H new ATOM 0 HE3 LYS A 46 12.877 8.013 -9.275 1.00 1.11 H new ATOM 0 HZ1 LYS A 46 13.006 5.966 -10.097 1.00 12.54 H new ATOM 0 HZ2 LYS A 46 12.432 5.251 -8.668 1.00 12.54 H new ATOM 0 HZ3 LYS A 46 11.335 5.821 -9.832 1.00 12.54 H new ATOM 768 N ALA A 47 8.517 10.048 -5.055 1.00 40.31 N ATOM 769 CA ALA A 47 7.078 10.419 -5.083 1.00 24.00 C ATOM 770 C ALA A 47 6.740 11.525 -4.060 1.00 34.04 C ATOM 771 O ALA A 47 5.728 12.218 -4.197 1.00 0.42 O ATOM 772 CB ALA A 47 6.217 9.173 -4.837 1.00 35.41 C ATOM 0 H ALA A 47 8.690 9.124 -4.658 1.00 40.31 H new ATOM 0 HA ALA A 47 6.857 10.824 -6.071 1.00 24.00 H new ATOM 0 HB1 ALA A 47 5.163 9.449 -4.858 1.00 35.41 H new ATOM 0 HB2 ALA A 47 6.415 8.435 -5.614 1.00 35.41 H new ATOM 0 HB3 ALA A 47 6.461 8.748 -3.863 1.00 35.41 H new ATOM 778 N ARG A 48 7.594 11.657 -3.032 1.00 34.14 N ATOM 779 CA ARG A 48 7.522 12.728 -2.014 1.00 35.31 C ATOM 780 C ARG A 48 7.984 14.059 -2.631 1.00 32.11 C ATOM 781 O ARG A 48 7.430 15.117 -2.339 1.00 1.54 O ATOM 782 CB ARG A 48 8.412 12.333 -0.802 1.00 24.10 C ATOM 783 CG ARG A 48 8.466 13.329 0.375 1.00 44.01 C ATOM 784 CD ARG A 48 9.415 12.841 1.494 1.00 60.40 C ATOM 785 NE ARG A 48 9.561 13.817 2.588 1.00 15.13 N ATOM 786 CZ ARG A 48 10.639 13.943 3.378 1.00 73.04 C ATOM 787 NH1 ARG A 48 11.711 13.169 3.205 1.00 21.33 N ATOM 788 NH2 ARG A 48 10.636 14.838 4.357 1.00 73.34 N ATOM 0 H ARG A 48 8.370 11.012 -2.879 1.00 34.14 H new ATOM 0 HA ARG A 48 6.496 12.853 -1.669 1.00 35.31 H new ATOM 0 HB2 ARG A 48 8.060 11.375 -0.420 1.00 24.10 H new ATOM 0 HB3 ARG A 48 9.429 12.178 -1.163 1.00 24.10 H new ATOM 0 HG2 ARG A 48 8.799 14.302 0.014 1.00 44.01 H new ATOM 0 HG3 ARG A 48 7.464 13.466 0.782 1.00 44.01 H new ATOM 0 HD2 ARG A 48 9.038 11.902 1.899 1.00 60.40 H new ATOM 0 HD3 ARG A 48 10.396 12.633 1.066 1.00 60.40 H new ATOM 0 HE ARG A 48 8.779 14.449 2.759 1.00 15.13 H new ATOM 0 HH11 ARG A 48 11.720 12.468 2.464 1.00 21.33 H new ATOM 0 HH12 ARG A 48 12.522 13.278 3.814 1.00 21.33 H new ATOM 0 HH21 ARG A 48 9.817 15.427 4.507 1.00 73.34 H new ATOM 0 HH22 ARG A 48 11.453 14.937 4.960 1.00 73.34 H new ATOM 802 N LYS A 49 9.010 13.974 -3.505 1.00 34.13 N ATOM 803 CA LYS A 49 9.505 15.127 -4.293 1.00 23.23 C ATOM 804 C LYS A 49 8.477 15.537 -5.369 1.00 50.22 C ATOM 805 O LYS A 49 8.374 16.716 -5.719 1.00 5.51 O ATOM 806 CB LYS A 49 10.874 14.797 -4.960 1.00 61.12 C ATOM 807 CG LYS A 49 12.065 14.681 -3.976 1.00 45.43 C ATOM 808 CD LYS A 49 13.411 14.369 -4.682 1.00 44.05 C ATOM 809 CE LYS A 49 13.821 15.430 -5.722 1.00 30.11 C ATOM 810 NZ LYS A 49 13.972 16.786 -5.121 1.00 33.05 N ATOM 0 H LYS A 49 9.518 13.108 -3.685 1.00 34.13 H new ATOM 0 HA LYS A 49 9.645 15.963 -3.608 1.00 23.23 H new ATOM 0 HB2 LYS A 49 10.779 13.858 -5.506 1.00 61.12 H new ATOM 0 HB3 LYS A 49 11.101 15.571 -5.693 1.00 61.12 H new ATOM 0 HG2 LYS A 49 12.161 15.614 -3.420 1.00 45.43 H new ATOM 0 HG3 LYS A 49 11.853 13.897 -3.249 1.00 45.43 H new ATOM 0 HD2 LYS A 49 14.196 14.287 -3.930 1.00 44.05 H new ATOM 0 HD3 LYS A 49 13.338 13.399 -5.174 1.00 44.05 H new ATOM 0 HE2 LYS A 49 14.762 15.135 -6.187 1.00 30.11 H new ATOM 0 HE3 LYS A 49 13.072 15.468 -6.513 1.00 30.11 H new ATOM 0 HZ1 LYS A 49 14.265 17.461 -5.856 1.00 33.05 H new ATOM 0 HZ2 LYS A 49 13.064 17.089 -4.715 1.00 33.05 H new ATOM 0 HZ3 LYS A 49 14.693 16.755 -4.372 1.00 33.05 H new ATOM 824 N GLN A 50 7.732 14.543 -5.891 1.00 43.33 N ATOM 825 CA GLN A 50 6.646 14.781 -6.861 1.00 3.54 C ATOM 826 C GLN A 50 5.383 15.291 -6.143 1.00 42.30 C ATOM 827 O GLN A 50 4.578 16.021 -6.727 1.00 11.12 O ATOM 828 CB GLN A 50 6.298 13.477 -7.631 1.00 34.44 C ATOM 829 CG GLN A 50 7.460 12.777 -8.357 1.00 72.21 C ATOM 830 CD GLN A 50 8.229 13.687 -9.301 1.00 22.03 C ATOM 831 OE1 GLN A 50 7.889 13.816 -10.477 1.00 71.44 O ATOM 832 NE2 GLN A 50 9.262 14.329 -8.793 1.00 61.34 N ATOM 0 H GLN A 50 7.865 13.560 -5.654 1.00 43.33 H new ATOM 0 HA GLN A 50 6.993 15.534 -7.568 1.00 3.54 H new ATOM 0 HB2 GLN A 50 5.862 12.770 -6.925 1.00 34.44 H new ATOM 0 HB3 GLN A 50 5.528 13.710 -8.366 1.00 34.44 H new ATOM 0 HG2 GLN A 50 8.149 12.373 -7.615 1.00 72.21 H new ATOM 0 HG3 GLN A 50 7.067 11.932 -8.922 1.00 72.21 H new ATOM 0 HE21 GLN A 50 9.513 14.196 -7.813 1.00 61.34 H new ATOM 0 HE22 GLN A 50 9.810 14.958 -9.379 1.00 61.34 H new ATOM 841 N GLY A 51 5.224 14.882 -4.870 1.00 3.35 N ATOM 842 CA GLY A 51 4.030 15.192 -4.081 1.00 14.42 C ATOM 843 C GLY A 51 2.810 14.343 -4.441 1.00 44.11 C ATOM 844 O GLY A 51 1.724 14.552 -3.888 1.00 11.52 O ATOM 0 H GLY A 51 5.919 14.330 -4.367 1.00 3.35 H new ATOM 0 HA2 GLY A 51 4.259 15.052 -3.024 1.00 14.42 H new ATOM 0 HA3 GLY A 51 3.780 16.244 -4.216 1.00 14.42 H new ATOM 848 N ARG A 52 2.992 13.383 -5.362 1.00 3.14 N ATOM 849 CA ARG A 52 1.897 12.550 -5.893 1.00 44.04 C ATOM 850 C ARG A 52 1.783 11.230 -5.101 1.00 74.42 C ATOM 851 O ARG A 52 2.752 10.825 -4.430 1.00 73.43 O ATOM 852 CB ARG A 52 2.115 12.273 -7.415 1.00 35.24 C ATOM 853 CG ARG A 52 3.373 11.436 -7.765 1.00 24.44 C ATOM 854 CD ARG A 52 3.530 11.211 -9.280 1.00 72.13 C ATOM 855 NE ARG A 52 4.721 10.404 -9.623 1.00 4.12 N ATOM 856 CZ ARG A 52 4.848 9.656 -10.732 1.00 12.13 C ATOM 857 NH1 ARG A 52 3.863 9.590 -11.631 1.00 54.51 N ATOM 858 NH2 ARG A 52 5.966 8.967 -10.930 1.00 24.10 N ATOM 0 H ARG A 52 3.904 13.161 -5.761 1.00 3.14 H new ATOM 0 HA ARG A 52 0.959 13.093 -5.776 1.00 44.04 H new ATOM 0 HB2 ARG A 52 1.237 11.757 -7.803 1.00 35.24 H new ATOM 0 HB3 ARG A 52 2.179 13.229 -7.935 1.00 35.24 H new ATOM 0 HG2 ARG A 52 4.260 11.942 -7.382 1.00 24.44 H new ATOM 0 HG3 ARG A 52 3.315 10.471 -7.262 1.00 24.44 H new ATOM 0 HD2 ARG A 52 2.638 10.714 -9.662 1.00 72.13 H new ATOM 0 HD3 ARG A 52 3.596 12.177 -9.781 1.00 72.13 H new ATOM 0 HE ARG A 52 5.504 10.416 -8.969 1.00 4.12 H new ATOM 0 HH11 ARG A 52 3.000 10.112 -11.481 1.00 54.51 H new ATOM 0 HH12 ARG A 52 3.974 9.018 -12.468 1.00 54.51 H new ATOM 0 HH21 ARG A 52 6.719 9.008 -10.243 1.00 24.10 H new ATOM 0 HH22 ARG A 52 6.072 8.396 -11.769 1.00 24.10 H new ATOM 872 N PRO A 53 0.587 10.555 -5.121 1.00 5.30 N ATOM 873 CA PRO A 53 0.447 9.199 -4.560 1.00 73.20 C ATOM 874 C PRO A 53 1.275 8.146 -5.341 1.00 52.33 C ATOM 875 O PRO A 53 1.568 8.310 -6.537 1.00 13.43 O ATOM 876 CB PRO A 53 -1.081 8.920 -4.630 1.00 63.20 C ATOM 877 CG PRO A 53 -1.598 9.843 -5.694 1.00 21.11 C ATOM 878 CD PRO A 53 -0.723 11.077 -5.628 1.00 40.44 C ATOM 0 HA PRO A 53 0.834 9.132 -3.543 1.00 73.20 H new ATOM 0 HB2 PRO A 53 -1.281 7.878 -4.881 1.00 63.20 H new ATOM 0 HB3 PRO A 53 -1.562 9.115 -3.671 1.00 63.20 H new ATOM 0 HG2 PRO A 53 -1.543 9.376 -6.677 1.00 21.11 H new ATOM 0 HG3 PRO A 53 -2.644 10.095 -5.519 1.00 21.11 H new ATOM 0 HD2 PRO A 53 -0.616 11.545 -6.607 1.00 40.44 H new ATOM 0 HD3 PRO A 53 -1.141 11.829 -4.959 1.00 40.44 H new ATOM 886 N ILE A 54 1.650 7.077 -4.632 1.00 23.21 N ATOM 887 CA ILE A 54 2.412 5.949 -5.176 1.00 53.01 C ATOM 888 C ILE A 54 1.855 4.658 -4.557 1.00 4.04 C ATOM 889 O ILE A 54 1.514 4.640 -3.378 1.00 54.43 O ATOM 890 CB ILE A 54 3.963 6.101 -4.894 1.00 51.53 C ATOM 891 CG1 ILE A 54 4.775 4.926 -5.532 1.00 32.41 C ATOM 892 CG2 ILE A 54 4.267 6.235 -3.376 1.00 60.42 C ATOM 893 CD1 ILE A 54 6.287 5.068 -5.448 1.00 44.13 C ATOM 0 H ILE A 54 1.427 6.969 -3.642 1.00 23.21 H new ATOM 0 HA ILE A 54 2.302 5.920 -6.260 1.00 53.01 H new ATOM 0 HB ILE A 54 4.285 7.027 -5.370 1.00 51.53 H new ATOM 0 HG12 ILE A 54 4.485 3.996 -5.042 1.00 32.41 H new ATOM 0 HG13 ILE A 54 4.492 4.836 -6.581 1.00 32.41 H new ATOM 0 HG21 ILE A 54 5.342 6.337 -3.228 1.00 60.42 H new ATOM 0 HG22 ILE A 54 3.761 7.115 -2.980 1.00 60.42 H new ATOM 0 HG23 ILE A 54 3.911 5.347 -2.854 1.00 60.42 H new ATOM 0 HD11 ILE A 54 6.760 4.205 -5.917 1.00 44.13 H new ATOM 0 HD12 ILE A 54 6.596 5.977 -5.964 1.00 44.13 H new ATOM 0 HD13 ILE A 54 6.590 5.124 -4.402 1.00 44.13 H new ATOM 905 N VAL A 55 1.715 3.601 -5.366 1.00 72.34 N ATOM 906 CA VAL A 55 1.203 2.299 -4.920 1.00 64.54 C ATOM 907 C VAL A 55 2.293 1.240 -5.144 1.00 61.43 C ATOM 908 O VAL A 55 2.786 1.066 -6.267 1.00 25.45 O ATOM 909 CB VAL A 55 -0.123 1.899 -5.675 1.00 75.24 C ATOM 910 CG1 VAL A 55 -0.661 0.545 -5.172 1.00 40.11 C ATOM 911 CG2 VAL A 55 -1.206 2.993 -5.531 1.00 43.13 C ATOM 0 H VAL A 55 1.956 3.625 -6.357 1.00 72.34 H new ATOM 0 HA VAL A 55 0.955 2.363 -3.861 1.00 64.54 H new ATOM 0 HB VAL A 55 0.123 1.802 -6.732 1.00 75.24 H new ATOM 0 HG11 VAL A 55 -1.575 0.294 -5.710 1.00 40.11 H new ATOM 0 HG12 VAL A 55 0.086 -0.230 -5.345 1.00 40.11 H new ATOM 0 HG13 VAL A 55 -0.874 0.612 -4.105 1.00 40.11 H new ATOM 0 HG21 VAL A 55 -2.106 2.686 -6.063 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -1.439 3.138 -4.476 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -0.837 3.928 -5.952 1.00 43.13 H new ATOM 921 N ILE A 56 2.675 0.562 -4.060 1.00 42.11 N ATOM 922 CA ILE A 56 3.726 -0.456 -4.053 1.00 71.12 C ATOM 923 C ILE A 56 3.077 -1.845 -3.961 1.00 50.01 C ATOM 924 O ILE A 56 2.251 -2.081 -3.084 1.00 30.32 O ATOM 925 CB ILE A 56 4.692 -0.237 -2.833 1.00 53.23 C ATOM 926 CG1 ILE A 56 5.294 1.211 -2.838 1.00 64.33 C ATOM 927 CG2 ILE A 56 5.808 -1.307 -2.797 1.00 72.12 C ATOM 928 CD1 ILE A 56 6.269 1.519 -3.969 1.00 41.15 C ATOM 0 H ILE A 56 2.253 0.709 -3.143 1.00 42.11 H new ATOM 0 HA ILE A 56 4.307 -0.379 -4.972 1.00 71.12 H new ATOM 0 HB ILE A 56 4.102 -0.348 -1.923 1.00 53.23 H new ATOM 0 HG12 ILE A 56 4.472 1.926 -2.887 1.00 64.33 H new ATOM 0 HG13 ILE A 56 5.804 1.376 -1.889 1.00 64.33 H new ATOM 0 HG21 ILE A 56 6.458 -1.126 -1.941 1.00 72.12 H new ATOM 0 HG22 ILE A 56 5.360 -2.297 -2.710 1.00 72.12 H new ATOM 0 HG23 ILE A 56 6.393 -1.253 -3.715 1.00 72.12 H new ATOM 0 HD11 ILE A 56 6.623 2.546 -3.875 1.00 41.15 H new ATOM 0 HD12 ILE A 56 7.117 0.837 -3.914 1.00 41.15 H new ATOM 0 HD13 ILE A 56 5.765 1.395 -4.928 1.00 41.15 H new ATOM 940 N PHE A 57 3.455 -2.747 -4.870 1.00 61.11 N ATOM 941 CA PHE A 57 2.920 -4.111 -4.941 1.00 32.34 C ATOM 942 C PHE A 57 4.003 -5.108 -4.511 1.00 45.20 C ATOM 943 O PHE A 57 4.983 -5.312 -5.230 1.00 11.42 O ATOM 944 CB PHE A 57 2.452 -4.408 -6.390 1.00 2.31 C ATOM 945 CG PHE A 57 1.372 -3.462 -6.904 1.00 53.10 C ATOM 946 CD1 PHE A 57 0.020 -3.726 -6.670 1.00 43.24 C ATOM 947 CD2 PHE A 57 1.707 -2.300 -7.600 1.00 35.43 C ATOM 948 CE1 PHE A 57 -0.955 -2.865 -7.124 1.00 3.22 C ATOM 949 CE2 PHE A 57 0.728 -1.446 -8.054 1.00 11.43 C ATOM 950 CZ PHE A 57 -0.600 -1.724 -7.810 1.00 62.41 C ATOM 0 H PHE A 57 4.151 -2.548 -5.588 1.00 61.11 H new ATOM 0 HA PHE A 57 2.067 -4.209 -4.270 1.00 32.34 H new ATOM 0 HB2 PHE A 57 3.313 -4.355 -7.056 1.00 2.31 H new ATOM 0 HB3 PHE A 57 2.076 -5.430 -6.436 1.00 2.31 H new ATOM 0 HD1 PHE A 57 -0.264 -4.615 -6.127 1.00 43.24 H new ATOM 0 HD2 PHE A 57 2.746 -2.068 -7.784 1.00 35.43 H new ATOM 0 HE1 PHE A 57 -1.997 -3.084 -6.942 1.00 3.22 H new ATOM 0 HE2 PHE A 57 1.001 -0.556 -8.602 1.00 11.43 H new ATOM 0 HZ PHE A 57 -1.365 -1.045 -8.158 1.00 62.41 H new ATOM 960 N ILE A 58 3.834 -5.707 -3.327 1.00 54.22 N ATOM 961 CA ILE A 58 4.758 -6.727 -2.797 1.00 24.34 C ATOM 962 C ILE A 58 4.010 -8.060 -2.651 1.00 11.45 C ATOM 963 O ILE A 58 2.893 -8.094 -2.119 1.00 2.24 O ATOM 964 CB ILE A 58 5.384 -6.308 -1.410 1.00 44.24 C ATOM 965 CG1 ILE A 58 6.058 -4.896 -1.504 1.00 11.44 C ATOM 966 CG2 ILE A 58 6.399 -7.378 -0.924 1.00 34.11 C ATOM 967 CD1 ILE A 58 6.690 -4.395 -0.216 1.00 73.42 C ATOM 0 H ILE A 58 3.052 -5.501 -2.705 1.00 54.22 H new ATOM 0 HA ILE A 58 5.582 -6.829 -3.503 1.00 24.34 H new ATOM 0 HB ILE A 58 4.580 -6.245 -0.677 1.00 44.24 H new ATOM 0 HG12 ILE A 58 6.825 -4.928 -2.278 1.00 11.44 H new ATOM 0 HG13 ILE A 58 5.308 -4.174 -1.827 1.00 11.44 H new ATOM 0 HG21 ILE A 58 6.820 -7.072 0.034 1.00 34.11 H new ATOM 0 HG22 ILE A 58 5.891 -8.335 -0.807 1.00 34.11 H new ATOM 0 HG23 ILE A 58 7.200 -7.479 -1.657 1.00 34.11 H new ATOM 0 HD11 ILE A 58 7.129 -3.412 -0.385 1.00 73.42 H new ATOM 0 HD12 ILE A 58 5.928 -4.324 0.560 1.00 73.42 H new ATOM 0 HD13 ILE A 58 7.468 -5.090 0.102 1.00 73.42 H new ATOM 979 N ARG A 59 4.627 -9.148 -3.145 1.00 73.31 N ATOM 980 CA ARG A 59 4.067 -10.498 -3.039 1.00 34.11 C ATOM 981 C ARG A 59 4.539 -11.138 -1.728 1.00 13.31 C ATOM 982 O ARG A 59 5.710 -11.514 -1.616 1.00 14.11 O ATOM 983 CB ARG A 59 4.524 -11.364 -4.243 1.00 1.34 C ATOM 984 CG ARG A 59 3.913 -12.783 -4.270 1.00 33.23 C ATOM 985 CD ARG A 59 4.567 -13.701 -5.308 1.00 1.31 C ATOM 986 NE ARG A 59 3.797 -14.942 -5.504 1.00 74.41 N ATOM 987 CZ ARG A 59 3.503 -15.484 -6.692 1.00 75.32 C ATOM 988 NH1 ARG A 59 3.904 -14.905 -7.823 1.00 41.44 N ATOM 989 NH2 ARG A 59 2.814 -16.611 -6.746 1.00 43.23 N ATOM 0 H ARG A 59 5.525 -9.112 -3.627 1.00 73.31 H new ATOM 0 HA ARG A 59 2.979 -10.438 -3.047 1.00 34.11 H new ATOM 0 HB2 ARG A 59 4.261 -10.849 -5.167 1.00 1.34 H new ATOM 0 HB3 ARG A 59 5.611 -11.449 -4.224 1.00 1.34 H new ATOM 0 HG2 ARG A 59 4.012 -13.233 -3.282 1.00 33.23 H new ATOM 0 HG3 ARG A 59 2.846 -12.709 -4.481 1.00 33.23 H new ATOM 0 HD2 ARG A 59 4.653 -13.173 -6.258 1.00 1.31 H new ATOM 0 HD3 ARG A 59 5.579 -13.948 -4.988 1.00 1.31 H new ATOM 0 HE ARG A 59 3.462 -15.425 -4.670 1.00 74.41 H new ATOM 0 HH11 ARG A 59 4.441 -14.039 -7.790 1.00 41.44 H new ATOM 0 HH12 ARG A 59 3.674 -15.328 -8.722 1.00 41.44 H new ATOM 0 HH21 ARG A 59 2.509 -17.064 -5.885 1.00 43.23 H new ATOM 0 HH22 ARG A 59 2.588 -17.028 -7.649 1.00 43.23 H new ATOM 1003 N GLY A 60 3.628 -11.255 -0.752 1.00 11.12 N ATOM 1004 CA GLY A 60 3.918 -11.921 0.516 1.00 33.31 C ATOM 1005 C GLY A 60 5.014 -11.233 1.330 1.00 50.41 C ATOM 1006 O GLY A 60 6.137 -11.745 1.430 1.00 15.20 O ATOM 0 H GLY A 60 2.677 -10.892 -0.822 1.00 11.12 H new ATOM 0 HA2 GLY A 60 3.006 -11.963 1.112 1.00 33.31 H new ATOM 0 HA3 GLY A 60 4.216 -12.950 0.317 1.00 33.31 H new ATOM 1010 N ALA A 61 4.693 -10.055 1.880 1.00 44.42 N ATOM 1011 CA ALA A 61 5.599 -9.295 2.751 1.00 3.42 C ATOM 1012 C ALA A 61 5.333 -9.656 4.214 1.00 2.23 C ATOM 1013 O ALA A 61 4.197 -9.521 4.692 1.00 44.34 O ATOM 1014 CB ALA A 61 5.417 -7.784 2.537 1.00 43.11 C ATOM 0 H ALA A 61 3.792 -9.600 1.732 1.00 44.42 H new ATOM 0 HA ALA A 61 6.627 -9.555 2.498 1.00 3.42 H new ATOM 0 HB1 ALA A 61 6.097 -7.239 3.192 1.00 43.11 H new ATOM 0 HB2 ALA A 61 5.635 -7.535 1.499 1.00 43.11 H new ATOM 0 HB3 ALA A 61 4.389 -7.505 2.769 1.00 43.11 H new ATOM 1020 N THR A 62 6.383 -10.120 4.905 1.00 13.23 N ATOM 1021 CA THR A 62 6.342 -10.427 6.342 1.00 0.50 C ATOM 1022 C THR A 62 6.400 -9.115 7.167 1.00 64.11 C ATOM 1023 O THR A 62 6.579 -8.017 6.589 1.00 21.42 O ATOM 1024 CB THR A 62 7.512 -11.403 6.730 1.00 61.22 C ATOM 1025 OG1 THR A 62 7.381 -11.839 8.098 1.00 41.54 O ATOM 1026 CG2 THR A 62 8.898 -10.760 6.524 1.00 21.42 C ATOM 0 H THR A 62 7.293 -10.295 4.479 1.00 13.23 H new ATOM 0 HA THR A 62 5.403 -10.930 6.573 1.00 0.50 H new ATOM 0 HB THR A 62 7.437 -12.263 6.065 1.00 61.22 H new ATOM 0 HG1 THR A 62 7.887 -11.237 8.683 1.00 41.54 H new ATOM 0 HG21 THR A 62 9.675 -11.471 6.805 1.00 21.42 H new ATOM 0 HG22 THR A 62 9.020 -10.485 5.476 1.00 21.42 H new ATOM 0 HG23 THR A 62 8.981 -9.868 7.145 1.00 21.42 H new ATOM 1034 N GLU A 63 6.261 -9.249 8.508 1.00 51.10 N ATOM 1035 CA GLU A 63 6.131 -8.116 9.445 1.00 65.13 C ATOM 1036 C GLU A 63 7.209 -7.051 9.243 1.00 43.44 C ATOM 1037 O GLU A 63 6.878 -5.874 9.107 1.00 21.33 O ATOM 1038 CB GLU A 63 6.170 -8.596 10.922 1.00 50.42 C ATOM 1039 CG GLU A 63 5.897 -7.474 11.958 1.00 50.22 C ATOM 1040 CD GLU A 63 6.365 -7.837 13.373 1.00 10.32 C ATOM 1041 OE1 GLU A 63 5.639 -8.554 14.091 1.00 21.43 O ATOM 1042 OE2 GLU A 63 7.469 -7.411 13.770 1.00 34.31 O ATOM 0 H GLU A 63 6.236 -10.158 8.970 1.00 51.10 H new ATOM 0 HA GLU A 63 5.162 -7.666 9.227 1.00 65.13 H new ATOM 0 HB2 GLU A 63 5.432 -9.387 11.056 1.00 50.42 H new ATOM 0 HB3 GLU A 63 7.147 -9.034 11.125 1.00 50.42 H new ATOM 0 HG2 GLU A 63 6.400 -6.562 11.638 1.00 50.22 H new ATOM 0 HG3 GLU A 63 4.829 -7.259 11.979 1.00 50.22 H new ATOM 1049 N GLU A 64 8.489 -7.484 9.207 1.00 62.12 N ATOM 1050 CA GLU A 64 9.628 -6.562 9.126 1.00 10.12 C ATOM 1051 C GLU A 64 9.568 -5.698 7.855 1.00 40.32 C ATOM 1052 O GLU A 64 9.707 -4.489 7.940 1.00 12.13 O ATOM 1053 CB GLU A 64 10.987 -7.298 9.243 1.00 62.14 C ATOM 1054 CG GLU A 64 11.252 -8.385 8.184 1.00 61.21 C ATOM 1055 CD GLU A 64 12.688 -8.923 8.234 1.00 21.51 C ATOM 1056 OE1 GLU A 64 12.963 -9.853 9.020 1.00 75.44 O ATOM 1057 OE2 GLU A 64 13.552 -8.400 7.496 1.00 33.22 O ATOM 0 H GLU A 64 8.752 -8.469 9.233 1.00 62.12 H new ATOM 0 HA GLU A 64 9.552 -5.894 9.984 1.00 10.12 H new ATOM 0 HB2 GLU A 64 11.786 -6.559 9.186 1.00 62.14 H new ATOM 0 HB3 GLU A 64 11.047 -7.756 10.230 1.00 62.14 H new ATOM 0 HG2 GLU A 64 10.554 -9.209 8.333 1.00 61.21 H new ATOM 0 HG3 GLU A 64 11.056 -7.976 7.193 1.00 61.21 H new ATOM 1064 N VAL A 65 9.265 -6.321 6.703 1.00 23.54 N ATOM 1065 CA VAL A 65 9.201 -5.622 5.407 1.00 32.25 C ATOM 1066 C VAL A 65 8.162 -4.484 5.470 1.00 41.01 C ATOM 1067 O VAL A 65 8.501 -3.295 5.263 1.00 42.21 O ATOM 1068 CB VAL A 65 8.870 -6.627 4.238 1.00 65.32 C ATOM 1069 CG1 VAL A 65 8.782 -5.909 2.864 1.00 21.33 C ATOM 1070 CG2 VAL A 65 9.911 -7.777 4.213 1.00 72.04 C ATOM 0 H VAL A 65 9.058 -7.318 6.643 1.00 23.54 H new ATOM 0 HA VAL A 65 10.179 -5.187 5.199 1.00 32.25 H new ATOM 0 HB VAL A 65 7.886 -7.055 4.429 1.00 65.32 H new ATOM 0 HG11 VAL A 65 8.552 -6.638 2.087 1.00 21.33 H new ATOM 0 HG12 VAL A 65 7.996 -5.154 2.897 1.00 21.33 H new ATOM 0 HG13 VAL A 65 9.736 -5.430 2.642 1.00 21.33 H new ATOM 0 HG21 VAL A 65 9.673 -8.465 3.402 1.00 72.04 H new ATOM 0 HG22 VAL A 65 10.907 -7.363 4.057 1.00 72.04 H new ATOM 0 HG23 VAL A 65 9.885 -8.312 5.162 1.00 72.04 H new ATOM 1080 N VAL A 66 6.932 -4.857 5.874 1.00 12.43 N ATOM 1081 CA VAL A 66 5.796 -3.928 5.962 1.00 65.13 C ATOM 1082 C VAL A 66 6.107 -2.775 6.948 1.00 25.21 C ATOM 1083 O VAL A 66 6.034 -1.600 6.577 1.00 24.20 O ATOM 1084 CB VAL A 66 4.469 -4.668 6.402 1.00 32.12 C ATOM 1085 CG1 VAL A 66 3.249 -3.714 6.376 1.00 2.24 C ATOM 1086 CG2 VAL A 66 4.208 -5.927 5.537 1.00 61.34 C ATOM 0 H VAL A 66 6.701 -5.812 6.148 1.00 12.43 H new ATOM 0 HA VAL A 66 5.639 -3.514 4.966 1.00 65.13 H new ATOM 0 HB VAL A 66 4.610 -4.996 7.432 1.00 32.12 H new ATOM 0 HG11 VAL A 66 2.356 -4.257 6.684 1.00 2.24 H new ATOM 0 HG12 VAL A 66 3.422 -2.883 7.060 1.00 2.24 H new ATOM 0 HG13 VAL A 66 3.109 -3.329 5.366 1.00 2.24 H new ATOM 0 HG21 VAL A 66 3.289 -6.411 5.867 1.00 61.34 H new ATOM 0 HG22 VAL A 66 4.110 -5.636 4.491 1.00 61.34 H new ATOM 0 HG23 VAL A 66 5.042 -6.621 5.644 1.00 61.34 H new ATOM 1096 N ARG A 67 6.539 -3.140 8.177 1.00 51.52 N ATOM 1097 CA ARG A 67 6.747 -2.178 9.285 1.00 71.44 C ATOM 1098 C ARG A 67 7.906 -1.197 8.979 1.00 2.32 C ATOM 1099 O ARG A 67 7.821 -0.028 9.340 1.00 15.22 O ATOM 1100 CB ARG A 67 7.010 -2.924 10.641 1.00 14.40 C ATOM 1101 CG ARG A 67 8.446 -3.474 10.801 1.00 25.02 C ATOM 1102 CD ARG A 67 8.715 -4.249 12.104 1.00 62.12 C ATOM 1103 NE ARG A 67 10.171 -4.431 12.291 1.00 24.32 N ATOM 1104 CZ ARG A 67 10.792 -5.534 12.734 1.00 32.20 C ATOM 1105 NH1 ARG A 67 10.114 -6.631 13.055 1.00 75.43 N ATOM 1106 NH2 ARG A 67 12.112 -5.525 12.858 1.00 14.21 N ATOM 0 H ARG A 67 6.753 -4.105 8.428 1.00 51.52 H new ATOM 0 HA ARG A 67 5.830 -1.597 9.381 1.00 71.44 H new ATOM 0 HB2 ARG A 67 6.803 -2.240 11.464 1.00 14.40 H new ATOM 0 HB3 ARG A 67 6.306 -3.751 10.729 1.00 14.40 H new ATOM 0 HG2 ARG A 67 8.662 -4.129 9.957 1.00 25.02 H new ATOM 0 HG3 ARG A 67 9.145 -2.640 10.744 1.00 25.02 H new ATOM 0 HD2 ARG A 67 8.296 -3.708 12.952 1.00 62.12 H new ATOM 0 HD3 ARG A 67 8.220 -5.220 12.069 1.00 62.12 H new ATOM 0 HE ARG A 67 10.765 -3.635 12.059 1.00 24.32 H new ATOM 0 HH11 ARG A 67 9.098 -6.647 12.967 1.00 75.43 H new ATOM 0 HH12 ARG A 67 10.610 -7.457 13.390 1.00 75.43 H new ATOM 0 HH21 ARG A 67 12.641 -4.687 12.618 1.00 14.21 H new ATOM 0 HH22 ARG A 67 12.598 -6.356 13.194 1.00 14.21 H new ATOM 1120 N ASP A 68 8.972 -1.701 8.300 1.00 33.14 N ATOM 1121 CA ASP A 68 10.169 -0.901 7.939 1.00 54.43 C ATOM 1122 C ASP A 68 9.787 0.230 6.985 1.00 63.41 C ATOM 1123 O ASP A 68 10.274 1.363 7.117 1.00 60.52 O ATOM 1124 CB ASP A 68 11.287 -1.786 7.294 1.00 62.01 C ATOM 1125 CG ASP A 68 12.261 -2.431 8.310 1.00 11.02 C ATOM 1126 OD1 ASP A 68 13.110 -1.710 8.865 1.00 73.42 O ATOM 1127 OD2 ASP A 68 12.223 -3.659 8.528 1.00 14.51 O ATOM 0 H ASP A 68 9.023 -2.671 7.989 1.00 33.14 H new ATOM 0 HA ASP A 68 10.567 -0.477 8.861 1.00 54.43 H new ATOM 0 HB2 ASP A 68 10.815 -2.576 6.710 1.00 62.01 H new ATOM 0 HB3 ASP A 68 11.861 -1.174 6.598 1.00 62.01 H new ATOM 1132 N ILE A 69 8.932 -0.109 6.009 1.00 3.43 N ATOM 1133 CA ILE A 69 8.392 0.861 5.047 1.00 4.30 C ATOM 1134 C ILE A 69 7.482 1.899 5.751 1.00 63.41 C ATOM 1135 O ILE A 69 7.699 3.121 5.644 1.00 13.14 O ATOM 1136 CB ILE A 69 7.562 0.125 3.942 1.00 32.33 C ATOM 1137 CG1 ILE A 69 8.441 -0.902 3.160 1.00 63.31 C ATOM 1138 CG2 ILE A 69 6.893 1.142 2.996 1.00 73.02 C ATOM 1139 CD1 ILE A 69 7.642 -1.871 2.306 1.00 43.24 C ATOM 0 H ILE A 69 8.596 -1.061 5.865 1.00 3.43 H new ATOM 0 HA ILE A 69 9.236 1.380 4.593 1.00 4.30 H new ATOM 0 HB ILE A 69 6.771 -0.442 4.433 1.00 32.33 H new ATOM 0 HG12 ILE A 69 9.136 -0.358 2.521 1.00 63.31 H new ATOM 0 HG13 ILE A 69 9.040 -1.469 3.872 1.00 63.31 H new ATOM 0 HG21 ILE A 69 6.321 0.610 2.236 1.00 73.02 H new ATOM 0 HG22 ILE A 69 6.225 1.786 3.568 1.00 73.02 H new ATOM 0 HG23 ILE A 69 7.659 1.750 2.515 1.00 73.02 H new ATOM 0 HD11 ILE A 69 8.323 -2.552 1.795 1.00 43.24 H new ATOM 0 HD12 ILE A 69 6.966 -2.443 2.941 1.00 43.24 H new ATOM 0 HD13 ILE A 69 7.064 -1.314 1.569 1.00 43.24 H new ATOM 1151 N VAL A 70 6.464 1.371 6.465 1.00 44.41 N ATOM 1152 CA VAL A 70 5.395 2.166 7.079 1.00 44.13 C ATOM 1153 C VAL A 70 5.959 3.197 8.074 1.00 25.51 C ATOM 1154 O VAL A 70 5.665 4.392 7.950 1.00 34.13 O ATOM 1155 CB VAL A 70 4.332 1.226 7.774 1.00 70.50 C ATOM 1156 CG1 VAL A 70 3.315 2.020 8.617 1.00 4.53 C ATOM 1157 CG2 VAL A 70 3.598 0.361 6.713 1.00 15.30 C ATOM 0 H VAL A 70 6.367 0.369 6.629 1.00 44.41 H new ATOM 0 HA VAL A 70 4.893 2.721 6.286 1.00 44.13 H new ATOM 0 HB VAL A 70 4.876 0.572 8.455 1.00 70.50 H new ATOM 0 HG11 VAL A 70 2.605 1.331 9.075 1.00 4.53 H new ATOM 0 HG12 VAL A 70 3.840 2.571 9.397 1.00 4.53 H new ATOM 0 HG13 VAL A 70 2.779 2.720 7.976 1.00 4.53 H new ATOM 0 HG21 VAL A 70 2.869 -0.281 7.208 1.00 15.30 H new ATOM 0 HG22 VAL A 70 3.086 1.012 6.004 1.00 15.30 H new ATOM 0 HG23 VAL A 70 4.323 -0.256 6.182 1.00 15.30 H new ATOM 1167 N GLU A 71 6.828 2.732 9.004 1.00 15.21 N ATOM 1168 CA GLU A 71 7.419 3.594 10.055 1.00 33.14 C ATOM 1169 C GLU A 71 8.208 4.766 9.434 1.00 34.53 C ATOM 1170 O GLU A 71 8.147 5.886 9.936 1.00 62.11 O ATOM 1171 CB GLU A 71 8.344 2.779 11.011 1.00 71.30 C ATOM 1172 CG GLU A 71 9.684 2.323 10.388 1.00 34.31 C ATOM 1173 CD GLU A 71 10.593 1.557 11.350 1.00 74.43 C ATOM 1174 OE1 GLU A 71 10.859 0.359 11.127 1.00 53.32 O ATOM 1175 OE2 GLU A 71 11.071 2.165 12.328 1.00 21.14 O ATOM 0 H GLU A 71 7.136 1.760 9.047 1.00 15.21 H new ATOM 0 HA GLU A 71 6.592 3.998 10.639 1.00 33.14 H new ATOM 0 HB2 GLU A 71 8.557 3.386 11.891 1.00 71.30 H new ATOM 0 HB3 GLU A 71 7.801 1.898 11.355 1.00 71.30 H new ATOM 0 HG2 GLU A 71 9.474 1.692 9.524 1.00 34.31 H new ATOM 0 HG3 GLU A 71 10.218 3.199 10.021 1.00 34.31 H new ATOM 1182 N TYR A 72 8.902 4.479 8.305 1.00 11.44 N ATOM 1183 CA TYR A 72 9.718 5.459 7.577 1.00 0.43 C ATOM 1184 C TYR A 72 8.848 6.621 7.084 1.00 62.35 C ATOM 1185 O TYR A 72 9.119 7.788 7.388 1.00 62.53 O ATOM 1186 CB TYR A 72 10.439 4.772 6.383 1.00 70.32 C ATOM 1187 CG TYR A 72 11.232 5.740 5.489 1.00 23.20 C ATOM 1188 CD1 TYR A 72 12.392 6.357 5.960 1.00 31.25 C ATOM 1189 CD2 TYR A 72 10.807 6.060 4.193 1.00 22.21 C ATOM 1190 CE1 TYR A 72 13.091 7.255 5.181 1.00 60.32 C ATOM 1191 CE2 TYR A 72 11.514 6.953 3.409 1.00 30.44 C ATOM 1192 CZ TYR A 72 12.650 7.546 3.909 1.00 51.02 C ATOM 1193 OH TYR A 72 13.337 8.459 3.150 1.00 61.35 O ATOM 0 H TYR A 72 8.906 3.553 7.878 1.00 11.44 H new ATOM 0 HA TYR A 72 10.471 5.860 8.255 1.00 0.43 H new ATOM 0 HB2 TYR A 72 11.118 4.013 6.771 1.00 70.32 H new ATOM 0 HB3 TYR A 72 9.698 4.255 5.773 1.00 70.32 H new ATOM 0 HD1 TYR A 72 12.749 6.127 6.953 1.00 31.25 H new ATOM 0 HD2 TYR A 72 9.912 5.601 3.800 1.00 22.21 H new ATOM 0 HE1 TYR A 72 13.981 7.729 5.567 1.00 60.32 H new ATOM 0 HE2 TYR A 72 11.176 7.184 2.409 1.00 30.44 H new ATOM 0 HH TYR A 72 13.085 9.366 3.422 1.00 61.35 H new ATOM 1203 N ALA A 73 7.778 6.270 6.357 1.00 52.30 N ATOM 1204 CA ALA A 73 6.859 7.256 5.776 1.00 13.35 C ATOM 1205 C ALA A 73 6.040 7.981 6.876 1.00 54.23 C ATOM 1206 O ALA A 73 5.649 9.134 6.694 1.00 24.20 O ATOM 1207 CB ALA A 73 5.960 6.579 4.736 1.00 63.45 C ATOM 0 H ALA A 73 7.527 5.302 6.157 1.00 52.30 H new ATOM 0 HA ALA A 73 7.441 8.025 5.268 1.00 13.35 H new ATOM 0 HB1 ALA A 73 5.280 7.316 4.308 1.00 63.45 H new ATOM 0 HB2 ALA A 73 6.576 6.152 3.945 1.00 63.45 H new ATOM 0 HB3 ALA A 73 5.383 5.787 5.214 1.00 63.45 H new ATOM 1213 N GLN A 74 5.816 7.307 8.031 1.00 60.23 N ATOM 1214 CA GLN A 74 5.130 7.913 9.199 1.00 12.15 C ATOM 1215 C GLN A 74 6.003 9.014 9.845 1.00 41.04 C ATOM 1216 O GLN A 74 5.480 10.040 10.292 1.00 34.40 O ATOM 1217 CB GLN A 74 4.751 6.837 10.259 1.00 14.55 C ATOM 1218 CG GLN A 74 3.658 5.841 9.819 1.00 71.54 C ATOM 1219 CD GLN A 74 2.299 6.491 9.548 1.00 71.12 C ATOM 1220 OE1 GLN A 74 2.000 6.907 8.429 1.00 34.01 O ATOM 1221 NE2 GLN A 74 1.461 6.575 10.570 1.00 33.11 N ATOM 0 H GLN A 74 6.102 6.339 8.179 1.00 60.23 H new ATOM 0 HA GLN A 74 4.210 8.368 8.833 1.00 12.15 H new ATOM 0 HB2 GLN A 74 5.648 6.276 10.521 1.00 14.55 H new ATOM 0 HB3 GLN A 74 4.416 7.343 11.164 1.00 14.55 H new ATOM 0 HG2 GLN A 74 3.990 5.327 8.917 1.00 71.54 H new ATOM 0 HG3 GLN A 74 3.539 5.082 10.592 1.00 71.54 H new ATOM 0 HE21 GLN A 74 1.737 6.221 11.486 1.00 33.11 H new ATOM 0 HE22 GLN A 74 0.540 6.993 10.441 1.00 33.11 H new ATOM 1230 N LYS A 75 7.338 8.780 9.874 1.00 2.24 N ATOM 1231 CA LYS A 75 8.332 9.756 10.400 1.00 33.43 C ATOM 1232 C LYS A 75 8.284 11.071 9.601 1.00 53.41 C ATOM 1233 O LYS A 75 8.411 12.163 10.167 1.00 20.15 O ATOM 1234 CB LYS A 75 9.776 9.172 10.347 1.00 3.30 C ATOM 1235 CG LYS A 75 10.041 7.993 11.306 1.00 63.45 C ATOM 1236 CD LYS A 75 11.453 7.377 11.129 1.00 21.01 C ATOM 1237 CE LYS A 75 12.591 8.380 11.392 1.00 72.31 C ATOM 1238 NZ LYS A 75 13.931 7.754 11.249 1.00 73.44 N ATOM 0 H LYS A 75 7.758 7.914 9.536 1.00 2.24 H new ATOM 0 HA LYS A 75 8.071 9.958 11.439 1.00 33.43 H new ATOM 0 HB2 LYS A 75 9.981 8.844 9.328 1.00 3.30 H new ATOM 0 HB3 LYS A 75 10.483 9.970 10.574 1.00 3.30 H new ATOM 0 HG2 LYS A 75 9.926 8.335 12.335 1.00 63.45 H new ATOM 0 HG3 LYS A 75 9.290 7.221 11.141 1.00 63.45 H new ATOM 0 HD2 LYS A 75 11.560 6.530 11.807 1.00 21.01 H new ATOM 0 HD3 LYS A 75 11.548 6.988 10.115 1.00 21.01 H new ATOM 0 HE2 LYS A 75 12.505 9.215 10.697 1.00 72.31 H new ATOM 0 HE3 LYS A 75 12.488 8.790 12.397 1.00 72.31 H new ATOM 0 HZ1 LYS A 75 14.668 8.464 11.435 1.00 73.44 H new ATOM 0 HZ2 LYS A 75 14.024 6.973 11.930 1.00 73.44 H new ATOM 0 HZ3 LYS A 75 14.041 7.386 10.283 1.00 73.44 H new ATOM 1252 N GLU A 76 8.091 10.936 8.279 1.00 73.12 N ATOM 1253 CA GLU A 76 8.077 12.072 7.338 1.00 3.34 C ATOM 1254 C GLU A 76 6.657 12.666 7.207 1.00 63.52 C ATOM 1255 O GLU A 76 6.462 13.689 6.548 1.00 71.41 O ATOM 1256 CB GLU A 76 8.650 11.609 5.967 1.00 73.23 C ATOM 1257 CG GLU A 76 9.928 10.743 6.099 1.00 11.01 C ATOM 1258 CD GLU A 76 10.689 10.497 4.789 1.00 0.31 C ATOM 1259 OE1 GLU A 76 11.929 10.714 4.770 1.00 73.33 O ATOM 1260 OE2 GLU A 76 10.064 10.095 3.785 1.00 3.34 O ATOM 0 H GLU A 76 7.940 10.033 7.829 1.00 73.12 H new ATOM 0 HA GLU A 76 8.711 12.871 7.722 1.00 3.34 H new ATOM 0 HB2 GLU A 76 7.887 11.040 5.435 1.00 73.23 H new ATOM 0 HB3 GLU A 76 8.875 12.486 5.360 1.00 73.23 H new ATOM 0 HG2 GLU A 76 10.602 11.225 6.807 1.00 11.01 H new ATOM 0 HG3 GLU A 76 9.652 9.779 6.527 1.00 11.01 H new ATOM 1267 N GLY A 77 5.671 12.011 7.861 1.00 45.50 N ATOM 1268 CA GLY A 77 4.285 12.499 7.907 1.00 13.41 C ATOM 1269 C GLY A 77 3.494 12.192 6.643 1.00 1.51 C ATOM 1270 O GLY A 77 2.419 12.762 6.420 1.00 23.21 O ATOM 0 H GLY A 77 5.818 11.137 8.366 1.00 45.50 H new ATOM 0 HA2 GLY A 77 3.778 12.051 8.762 1.00 13.41 H new ATOM 0 HA3 GLY A 77 4.292 13.577 8.069 1.00 13.41 H new ATOM 1274 N LEU A 78 4.032 11.279 5.823 1.00 22.01 N ATOM 1275 CA LEU A 78 3.422 10.847 4.560 1.00 42.41 C ATOM 1276 C LEU A 78 2.278 9.870 4.844 1.00 51.00 C ATOM 1277 O LEU A 78 2.451 8.925 5.620 1.00 41.21 O ATOM 1278 CB LEU A 78 4.498 10.189 3.653 1.00 73.22 C ATOM 1279 CG LEU A 78 5.806 11.016 3.450 1.00 51.04 C ATOM 1280 CD1 LEU A 78 6.794 10.271 2.541 1.00 72.23 C ATOM 1281 CD2 LEU A 78 5.515 12.437 2.918 1.00 30.30 C ATOM 0 H LEU A 78 4.917 10.813 6.023 1.00 22.01 H new ATOM 0 HA LEU A 78 3.015 11.713 4.038 1.00 42.41 H new ATOM 0 HB2 LEU A 78 4.764 9.221 4.078 1.00 73.22 H new ATOM 0 HB3 LEU A 78 4.055 9.997 2.676 1.00 73.22 H new ATOM 0 HG LEU A 78 6.271 11.132 4.429 1.00 51.04 H new ATOM 0 HD11 LEU A 78 7.696 10.870 2.416 1.00 72.23 H new ATOM 0 HD12 LEU A 78 7.053 9.314 2.993 1.00 72.23 H new ATOM 0 HD13 LEU A 78 6.335 10.100 1.567 1.00 72.23 H new ATOM 0 HD21 LEU A 78 6.453 12.977 2.791 1.00 30.30 H new ATOM 0 HD22 LEU A 78 5.003 12.368 1.958 1.00 30.30 H new ATOM 0 HD23 LEU A 78 4.883 12.969 3.629 1.00 30.30 H new ATOM 1293 N ARG A 79 1.118 10.116 4.221 1.00 52.02 N ATOM 1294 CA ARG A 79 -0.103 9.328 4.439 1.00 40.34 C ATOM 1295 C ARG A 79 0.070 7.891 3.908 1.00 20.12 C ATOM 1296 O ARG A 79 0.179 7.689 2.697 1.00 61.51 O ATOM 1297 CB ARG A 79 -1.292 10.039 3.748 1.00 75.01 C ATOM 1298 CG ARG A 79 -2.666 9.350 3.923 1.00 23.23 C ATOM 1299 CD ARG A 79 -3.826 10.247 3.471 1.00 21.54 C ATOM 1300 NE ARG A 79 -3.809 11.536 4.194 1.00 40.02 N ATOM 1301 CZ ARG A 79 -4.815 12.057 4.904 1.00 34.14 C ATOM 1302 NH1 ARG A 79 -5.982 11.428 5.013 1.00 20.44 N ATOM 1303 NH2 ARG A 79 -4.632 13.208 5.528 1.00 11.24 N ATOM 0 H ARG A 79 0.999 10.872 3.547 1.00 52.02 H new ATOM 0 HA ARG A 79 -0.302 9.256 5.508 1.00 40.34 H new ATOM 0 HB2 ARG A 79 -1.362 11.055 4.136 1.00 75.01 H new ATOM 0 HB3 ARG A 79 -1.077 10.119 2.682 1.00 75.01 H new ATOM 0 HG2 ARG A 79 -2.681 8.423 3.350 1.00 23.23 H new ATOM 0 HG3 ARG A 79 -2.804 9.080 4.970 1.00 23.23 H new ATOM 0 HD2 ARG A 79 -3.756 10.426 2.398 1.00 21.54 H new ATOM 0 HD3 ARG A 79 -4.774 9.739 3.648 1.00 21.54 H new ATOM 0 HE ARG A 79 -2.948 12.080 4.147 1.00 40.02 H new ATOM 0 HH11 ARG A 79 -6.123 10.530 4.550 1.00 20.44 H new ATOM 0 HH12 ARG A 79 -6.736 11.844 5.560 1.00 20.44 H new ATOM 0 HH21 ARG A 79 -3.733 13.686 5.464 1.00 11.24 H new ATOM 0 HH22 ARG A 79 -5.390 13.618 6.074 1.00 11.24 H new ATOM 1317 N VAL A 80 0.130 6.908 4.831 1.00 11.30 N ATOM 1318 CA VAL A 80 0.327 5.490 4.488 1.00 1.21 C ATOM 1319 C VAL A 80 -1.019 4.743 4.531 1.00 24.13 C ATOM 1320 O VAL A 80 -1.658 4.660 5.586 1.00 32.32 O ATOM 1321 CB VAL A 80 1.374 4.786 5.436 1.00 40.42 C ATOM 1322 CG1 VAL A 80 1.691 3.353 4.951 1.00 42.14 C ATOM 1323 CG2 VAL A 80 2.665 5.617 5.546 1.00 22.35 C ATOM 0 H VAL A 80 0.043 7.078 5.833 1.00 11.30 H new ATOM 0 HA VAL A 80 0.731 5.452 3.476 1.00 1.21 H new ATOM 0 HB VAL A 80 0.927 4.717 6.428 1.00 40.42 H new ATOM 0 HG11 VAL A 80 2.415 2.893 5.624 1.00 42.14 H new ATOM 0 HG12 VAL A 80 0.776 2.761 4.943 1.00 42.14 H new ATOM 0 HG13 VAL A 80 2.106 3.393 3.944 1.00 42.14 H new ATOM 0 HG21 VAL A 80 3.369 5.109 6.205 1.00 22.35 H new ATOM 0 HG22 VAL A 80 3.110 5.730 4.557 1.00 22.35 H new ATOM 0 HG23 VAL A 80 2.431 6.600 5.954 1.00 22.35 H new ATOM 1333 N LEU A 81 -1.444 4.233 3.360 1.00 32.35 N ATOM 1334 CA LEU A 81 -2.688 3.464 3.189 1.00 52.21 C ATOM 1335 C LEU A 81 -2.290 2.005 2.873 1.00 43.14 C ATOM 1336 O LEU A 81 -1.817 1.734 1.773 1.00 60.32 O ATOM 1337 CB LEU A 81 -3.541 4.026 1.995 1.00 33.43 C ATOM 1338 CG LEU A 81 -3.886 5.556 1.931 1.00 14.51 C ATOM 1339 CD1 LEU A 81 -4.567 6.069 3.203 1.00 32.23 C ATOM 1340 CD2 LEU A 81 -2.658 6.406 1.575 1.00 12.33 C ATOM 0 H LEU A 81 -0.922 4.347 2.491 1.00 32.35 H new ATOM 0 HA LEU A 81 -3.287 3.533 4.097 1.00 52.21 H new ATOM 0 HB2 LEU A 81 -3.016 3.773 1.074 1.00 33.43 H new ATOM 0 HB3 LEU A 81 -4.484 3.480 1.985 1.00 33.43 H new ATOM 0 HG LEU A 81 -4.611 5.665 1.124 1.00 14.51 H new ATOM 0 HD11 LEU A 81 -4.780 7.133 3.098 1.00 32.23 H new ATOM 0 HD12 LEU A 81 -5.499 5.526 3.361 1.00 32.23 H new ATOM 0 HD13 LEU A 81 -3.907 5.914 4.057 1.00 32.23 H new ATOM 0 HD21 LEU A 81 -2.941 7.458 1.541 1.00 12.33 H new ATOM 0 HD22 LEU A 81 -1.885 6.262 2.330 1.00 12.33 H new ATOM 0 HD23 LEU A 81 -2.275 6.102 0.601 1.00 12.33 H new ATOM 1352 N VAL A 82 -2.484 1.066 3.808 1.00 63.21 N ATOM 1353 CA VAL A 82 -1.983 -0.320 3.650 1.00 22.42 C ATOM 1354 C VAL A 82 -3.152 -1.293 3.419 1.00 45.15 C ATOM 1355 O VAL A 82 -4.069 -1.367 4.239 1.00 45.34 O ATOM 1356 CB VAL A 82 -1.146 -0.790 4.903 1.00 74.41 C ATOM 1357 CG1 VAL A 82 -0.523 -2.196 4.694 1.00 41.40 C ATOM 1358 CG2 VAL A 82 -0.067 0.249 5.270 1.00 12.22 C ATOM 0 H VAL A 82 -2.982 1.233 4.682 1.00 63.21 H new ATOM 0 HA VAL A 82 -1.325 -0.326 2.781 1.00 22.42 H new ATOM 0 HB VAL A 82 -1.839 -0.870 5.741 1.00 74.41 H new ATOM 0 HG11 VAL A 82 0.044 -2.478 5.581 1.00 41.40 H new ATOM 0 HG12 VAL A 82 -1.316 -2.924 4.523 1.00 41.40 H new ATOM 0 HG13 VAL A 82 0.142 -2.175 3.830 1.00 41.40 H new ATOM 0 HG21 VAL A 82 0.495 -0.100 6.136 1.00 12.22 H new ATOM 0 HG22 VAL A 82 0.611 0.382 4.427 1.00 12.22 H new ATOM 0 HG23 VAL A 82 -0.543 1.201 5.506 1.00 12.22 H new ATOM 1368 N ILE A 83 -3.116 -2.010 2.280 1.00 13.52 N ATOM 1369 CA ILE A 83 -3.986 -3.172 2.021 1.00 62.00 C ATOM 1370 C ILE A 83 -3.154 -4.447 2.189 1.00 71.50 C ATOM 1371 O ILE A 83 -2.004 -4.499 1.750 1.00 70.44 O ATOM 1372 CB ILE A 83 -4.605 -3.151 0.574 1.00 55.41 C ATOM 1373 CG1 ILE A 83 -5.433 -1.863 0.369 1.00 22.51 C ATOM 1374 CG2 ILE A 83 -5.473 -4.408 0.303 1.00 11.44 C ATOM 1375 CD1 ILE A 83 -6.150 -1.773 -0.953 1.00 70.32 C ATOM 0 H ILE A 83 -2.480 -1.799 1.511 1.00 13.52 H new ATOM 0 HA ILE A 83 -4.813 -3.137 2.730 1.00 62.00 H new ATOM 0 HB ILE A 83 -3.783 -3.163 -0.142 1.00 55.41 H new ATOM 0 HG12 ILE A 83 -6.168 -1.790 1.170 1.00 22.51 H new ATOM 0 HG13 ILE A 83 -4.770 -1.003 0.465 1.00 22.51 H new ATOM 0 HG21 ILE A 83 -5.883 -4.357 -0.706 1.00 11.44 H new ATOM 0 HG22 ILE A 83 -4.858 -5.303 0.400 1.00 11.44 H new ATOM 0 HG23 ILE A 83 -6.289 -4.449 1.024 1.00 11.44 H new ATOM 0 HD11 ILE A 83 -6.703 -0.835 -1.004 1.00 70.32 H new ATOM 0 HD12 ILE A 83 -5.423 -1.810 -1.764 1.00 70.32 H new ATOM 0 HD13 ILE A 83 -6.843 -2.609 -1.049 1.00 70.32 H new ATOM 1387 N MET A 84 -3.733 -5.458 2.843 1.00 53.41 N ATOM 1388 CA MET A 84 -3.121 -6.787 2.993 1.00 1.33 C ATOM 1389 C MET A 84 -4.163 -7.862 2.607 1.00 54.52 C ATOM 1390 O MET A 84 -5.237 -7.938 3.213 1.00 23.05 O ATOM 1391 CB MET A 84 -2.579 -6.943 4.446 1.00 32.25 C ATOM 1392 CG MET A 84 -1.272 -6.173 4.720 1.00 45.11 C ATOM 1393 SD MET A 84 -0.761 -6.212 6.454 1.00 74.20 S ATOM 1394 CE MET A 84 -1.907 -5.059 7.223 1.00 41.54 C ATOM 0 H MET A 84 -4.647 -5.379 3.288 1.00 53.41 H new ATOM 0 HA MET A 84 -2.268 -6.911 2.326 1.00 1.33 H new ATOM 0 HB2 MET A 84 -3.342 -6.601 5.145 1.00 32.25 H new ATOM 0 HB3 MET A 84 -2.413 -8.001 4.648 1.00 32.25 H new ATOM 0 HG2 MET A 84 -0.476 -6.594 4.106 1.00 45.11 H new ATOM 0 HG3 MET A 84 -1.399 -5.136 4.410 1.00 45.11 H new ATOM 0 HE1 MET A 84 -1.367 -4.424 7.925 1.00 41.54 H new ATOM 0 HE2 MET A 84 -2.370 -4.439 6.455 1.00 41.54 H new ATOM 0 HE3 MET A 84 -2.679 -5.614 7.756 1.00 41.54 H new ATOM 1404 N VAL A 85 -3.832 -8.658 1.561 1.00 33.15 N ATOM 1405 CA VAL A 85 -4.722 -9.664 0.937 1.00 61.42 C ATOM 1406 C VAL A 85 -3.978 -11.006 0.871 1.00 35.23 C ATOM 1407 O VAL A 85 -2.941 -11.101 0.218 1.00 54.31 O ATOM 1408 CB VAL A 85 -5.157 -9.241 -0.528 1.00 23.42 C ATOM 1409 CG1 VAL A 85 -6.117 -10.276 -1.175 1.00 70.43 C ATOM 1410 CG2 VAL A 85 -5.780 -7.835 -0.537 1.00 30.12 C ATOM 0 H VAL A 85 -2.914 -8.616 1.118 1.00 33.15 H new ATOM 0 HA VAL A 85 -5.624 -9.744 1.544 1.00 61.42 H new ATOM 0 HB VAL A 85 -4.251 -9.218 -1.134 1.00 23.42 H new ATOM 0 HG11 VAL A 85 -6.388 -9.944 -2.177 1.00 70.43 H new ATOM 0 HG12 VAL A 85 -5.621 -11.245 -1.235 1.00 70.43 H new ATOM 0 HG13 VAL A 85 -7.017 -10.367 -0.567 1.00 70.43 H new ATOM 0 HG21 VAL A 85 -6.069 -7.571 -1.554 1.00 30.12 H new ATOM 0 HG22 VAL A 85 -6.661 -7.823 0.105 1.00 30.12 H new ATOM 0 HG23 VAL A 85 -5.052 -7.112 -0.168 1.00 30.12 H new ATOM 1420 N ASP A 86 -4.517 -12.031 1.540 1.00 14.52 N ATOM 1421 CA ASP A 86 -3.878 -13.360 1.656 1.00 14.05 C ATOM 1422 C ASP A 86 -4.903 -14.345 2.237 1.00 55.43 C ATOM 1423 O ASP A 86 -5.805 -13.937 2.977 1.00 40.30 O ATOM 1424 CB ASP A 86 -2.615 -13.270 2.571 1.00 60.23 C ATOM 1425 CG ASP A 86 -1.641 -14.458 2.489 1.00 32.33 C ATOM 1426 OD1 ASP A 86 -1.990 -15.558 2.937 1.00 22.50 O ATOM 1427 OD2 ASP A 86 -0.502 -14.288 1.988 1.00 63.10 O ATOM 0 H ASP A 86 -5.414 -11.968 2.021 1.00 14.52 H new ATOM 0 HA ASP A 86 -3.556 -13.709 0.675 1.00 14.05 H new ATOM 0 HB2 ASP A 86 -2.071 -12.360 2.318 1.00 60.23 H new ATOM 0 HB3 ASP A 86 -2.945 -13.166 3.605 1.00 60.23 H new ATOM 1432 N GLN A 87 -4.739 -15.639 1.909 1.00 71.33 N ATOM 1433 CA GLN A 87 -5.630 -16.726 2.375 1.00 13.31 C ATOM 1434 C GLN A 87 -5.510 -16.951 3.893 1.00 13.25 C ATOM 1435 O GLN A 87 -6.454 -17.423 4.544 1.00 54.03 O ATOM 1436 CB GLN A 87 -5.345 -18.013 1.557 1.00 14.25 C ATOM 1437 CG GLN A 87 -5.624 -17.844 0.041 1.00 45.40 C ATOM 1438 CD GLN A 87 -5.211 -19.046 -0.820 1.00 25.14 C ATOM 1439 OE1 GLN A 87 -5.254 -20.191 -0.379 1.00 51.41 O ATOM 1440 NE2 GLN A 87 -4.786 -18.795 -2.060 1.00 53.41 N ATOM 0 H GLN A 87 -3.981 -15.966 1.310 1.00 71.33 H new ATOM 0 HA GLN A 87 -6.666 -16.436 2.202 1.00 13.31 H new ATOM 0 HB2 GLN A 87 -4.304 -18.303 1.699 1.00 14.25 H new ATOM 0 HB3 GLN A 87 -5.958 -18.826 1.945 1.00 14.25 H new ATOM 0 HG2 GLN A 87 -6.689 -17.660 -0.101 1.00 45.40 H new ATOM 0 HG3 GLN A 87 -5.097 -16.959 -0.316 1.00 45.40 H new ATOM 0 HE21 GLN A 87 -4.759 -17.836 -2.405 1.00 53.41 H new ATOM 0 HE22 GLN A 87 -4.488 -19.563 -2.662 1.00 53.41 H new ATOM 1449 N ASP A 88 -4.342 -16.596 4.441 1.00 25.31 N ATOM 1450 CA ASP A 88 -4.091 -16.562 5.885 1.00 35.11 C ATOM 1451 C ASP A 88 -4.430 -15.168 6.423 1.00 14.35 C ATOM 1452 O ASP A 88 -3.553 -14.307 6.581 1.00 21.05 O ATOM 1453 CB ASP A 88 -2.624 -16.945 6.207 1.00 62.34 C ATOM 1454 CG ASP A 88 -2.295 -18.391 5.814 1.00 44.14 C ATOM 1455 OD1 ASP A 88 -1.571 -18.612 4.827 1.00 43.11 O ATOM 1456 OD2 ASP A 88 -2.773 -19.322 6.505 1.00 54.12 O ATOM 0 H ASP A 88 -3.533 -16.320 3.884 1.00 25.31 H new ATOM 0 HA ASP A 88 -4.728 -17.298 6.375 1.00 35.11 H new ATOM 0 HB2 ASP A 88 -1.951 -16.267 5.682 1.00 62.34 H new ATOM 0 HB3 ASP A 88 -2.443 -16.811 7.273 1.00 62.34 H new ATOM 1461 N GLN A 89 -5.736 -14.955 6.660 1.00 74.04 N ATOM 1462 CA GLN A 89 -6.281 -13.694 7.191 1.00 34.42 C ATOM 1463 C GLN A 89 -5.706 -13.384 8.592 1.00 42.43 C ATOM 1464 O GLN A 89 -5.551 -12.219 8.959 1.00 52.21 O ATOM 1465 CB GLN A 89 -7.831 -13.781 7.232 1.00 72.25 C ATOM 1466 CG GLN A 89 -8.558 -12.503 7.692 1.00 31.33 C ATOM 1467 CD GLN A 89 -8.266 -11.279 6.823 1.00 14.01 C ATOM 1468 OE1 GLN A 89 -8.954 -11.016 5.841 1.00 13.32 O ATOM 1469 NE2 GLN A 89 -7.247 -10.519 7.180 1.00 12.44 N ATOM 0 H GLN A 89 -6.451 -15.662 6.486 1.00 74.04 H new ATOM 0 HA GLN A 89 -5.987 -12.876 6.533 1.00 34.42 H new ATOM 0 HB2 GLN A 89 -8.189 -14.042 6.236 1.00 72.25 H new ATOM 0 HB3 GLN A 89 -8.114 -14.597 7.897 1.00 72.25 H new ATOM 0 HG2 GLN A 89 -9.632 -12.688 7.693 1.00 31.33 H new ATOM 0 HG3 GLN A 89 -8.271 -12.283 8.720 1.00 31.33 H new ATOM 0 HE21 GLN A 89 -6.693 -10.762 8.001 1.00 12.44 H new ATOM 0 HE22 GLN A 89 -7.014 -9.689 6.635 1.00 12.44 H new ATOM 1478 N GLU A 90 -5.371 -14.451 9.339 1.00 73.21 N ATOM 1479 CA GLU A 90 -4.775 -14.354 10.685 1.00 42.13 C ATOM 1480 C GLU A 90 -3.420 -13.614 10.653 1.00 25.52 C ATOM 1481 O GLU A 90 -3.170 -12.732 11.480 1.00 11.51 O ATOM 1482 CB GLU A 90 -4.593 -15.771 11.284 1.00 24.14 C ATOM 1483 CG GLU A 90 -5.880 -16.621 11.337 1.00 71.13 C ATOM 1484 CD GLU A 90 -6.952 -16.087 12.302 1.00 22.55 C ATOM 1485 OE1 GLU A 90 -7.064 -16.608 13.431 1.00 53.44 O ATOM 1486 OE2 GLU A 90 -7.696 -15.156 11.932 1.00 61.21 O ATOM 0 H GLU A 90 -5.507 -15.412 9.024 1.00 73.21 H new ATOM 0 HA GLU A 90 -5.454 -13.778 11.313 1.00 42.13 H new ATOM 0 HB2 GLU A 90 -3.846 -16.305 10.697 1.00 24.14 H new ATOM 0 HB3 GLU A 90 -4.196 -15.675 12.295 1.00 24.14 H new ATOM 0 HG2 GLU A 90 -6.306 -16.678 10.335 1.00 71.13 H new ATOM 0 HG3 GLU A 90 -5.618 -17.638 11.630 1.00 71.13 H new ATOM 1493 N GLU A 91 -2.566 -13.971 9.668 1.00 63.04 N ATOM 1494 CA GLU A 91 -1.235 -13.350 9.494 1.00 2.12 C ATOM 1495 C GLU A 91 -1.393 -11.846 9.207 1.00 30.30 C ATOM 1496 O GLU A 91 -0.708 -11.012 9.806 1.00 22.21 O ATOM 1497 CB GLU A 91 -0.449 -14.036 8.345 1.00 75.24 C ATOM 1498 CG GLU A 91 0.978 -13.476 8.137 1.00 50.43 C ATOM 1499 CD GLU A 91 1.731 -14.137 6.975 1.00 23.51 C ATOM 1500 OE1 GLU A 91 1.502 -13.744 5.818 1.00 10.03 O ATOM 1501 OE2 GLU A 91 2.559 -15.048 7.218 1.00 62.41 O ATOM 0 H GLU A 91 -2.778 -14.691 8.977 1.00 63.04 H new ATOM 0 HA GLU A 91 -0.669 -13.481 10.416 1.00 2.12 H new ATOM 0 HB2 GLU A 91 -0.383 -15.104 8.551 1.00 75.24 H new ATOM 0 HB3 GLU A 91 -1.011 -13.925 7.417 1.00 75.24 H new ATOM 0 HG2 GLU A 91 0.916 -12.403 7.956 1.00 50.43 H new ATOM 0 HG3 GLU A 91 1.550 -13.612 9.055 1.00 50.43 H new ATOM 1508 N LEU A 92 -2.356 -11.540 8.317 1.00 2.03 N ATOM 1509 CA LEU A 92 -2.694 -10.163 7.916 1.00 64.33 C ATOM 1510 C LEU A 92 -3.139 -9.320 9.122 1.00 23.24 C ATOM 1511 O LEU A 92 -2.750 -8.166 9.252 1.00 34.33 O ATOM 1512 CB LEU A 92 -3.825 -10.175 6.859 1.00 33.44 C ATOM 1513 CG LEU A 92 -3.586 -11.052 5.601 1.00 33.32 C ATOM 1514 CD1 LEU A 92 -4.799 -10.969 4.648 1.00 31.54 C ATOM 1515 CD2 LEU A 92 -2.256 -10.676 4.903 1.00 32.10 C ATOM 0 H LEU A 92 -2.925 -12.248 7.853 1.00 2.03 H new ATOM 0 HA LEU A 92 -1.796 -9.715 7.491 1.00 64.33 H new ATOM 0 HB2 LEU A 92 -4.741 -10.514 7.343 1.00 33.44 H new ATOM 0 HB3 LEU A 92 -3.998 -9.150 6.532 1.00 33.44 H new ATOM 0 HG LEU A 92 -3.489 -12.092 5.911 1.00 33.32 H new ATOM 0 HD11 LEU A 92 -4.616 -11.589 3.771 1.00 31.54 H new ATOM 0 HD12 LEU A 92 -5.692 -11.324 5.163 1.00 31.54 H new ATOM 0 HD13 LEU A 92 -4.947 -9.935 4.337 1.00 31.54 H new ATOM 0 HD21 LEU A 92 -2.115 -11.307 4.025 1.00 32.10 H new ATOM 0 HD22 LEU A 92 -2.289 -9.630 4.597 1.00 32.10 H new ATOM 0 HD23 LEU A 92 -1.427 -10.826 5.595 1.00 32.10 H new ATOM 1527 N GLU A 93 -3.965 -9.936 9.992 1.00 51.43 N ATOM 1528 CA GLU A 93 -4.510 -9.291 11.200 1.00 74.21 C ATOM 1529 C GLU A 93 -3.441 -9.079 12.277 1.00 42.24 C ATOM 1530 O GLU A 93 -3.578 -8.178 13.113 1.00 21.41 O ATOM 1531 CB GLU A 93 -5.701 -10.102 11.764 1.00 75.52 C ATOM 1532 CG GLU A 93 -6.990 -10.004 10.922 1.00 34.42 C ATOM 1533 CD GLU A 93 -8.190 -10.694 11.587 1.00 51.11 C ATOM 1534 OE1 GLU A 93 -8.529 -10.325 12.736 1.00 64.42 O ATOM 1535 OE2 GLU A 93 -8.802 -11.592 10.975 1.00 11.01 O ATOM 0 H GLU A 93 -4.273 -10.901 9.874 1.00 51.43 H new ATOM 0 HA GLU A 93 -4.867 -8.305 10.903 1.00 74.21 H new ATOM 0 HB2 GLU A 93 -5.409 -11.149 11.840 1.00 75.52 H new ATOM 0 HB3 GLU A 93 -5.914 -9.757 12.776 1.00 75.52 H new ATOM 0 HG2 GLU A 93 -7.229 -8.954 10.753 1.00 34.42 H new ATOM 0 HG3 GLU A 93 -6.815 -10.453 9.944 1.00 34.42 H new ATOM 1542 N ARG A 94 -2.387 -9.907 12.256 1.00 14.52 N ATOM 1543 CA ARG A 94 -1.248 -9.756 13.168 1.00 14.14 C ATOM 1544 C ARG A 94 -0.445 -8.488 12.799 1.00 44.23 C ATOM 1545 O ARG A 94 -0.009 -7.728 13.679 1.00 73.12 O ATOM 1546 CB ARG A 94 -0.355 -11.025 13.134 1.00 10.34 C ATOM 1547 CG ARG A 94 0.856 -10.979 14.092 1.00 22.25 C ATOM 1548 CD ARG A 94 0.443 -10.762 15.562 1.00 54.42 C ATOM 1549 NE ARG A 94 1.615 -10.572 16.437 1.00 43.52 N ATOM 1550 CZ ARG A 94 1.742 -9.602 17.355 1.00 11.13 C ATOM 1551 NH1 ARG A 94 0.776 -8.706 17.531 1.00 31.11 N ATOM 1552 NH2 ARG A 94 2.833 -9.540 18.107 1.00 31.52 N ATOM 0 H ARG A 94 -2.301 -10.693 11.612 1.00 14.52 H new ATOM 0 HA ARG A 94 -1.616 -9.640 14.187 1.00 14.14 H new ATOM 0 HB2 ARG A 94 -0.967 -11.892 13.383 1.00 10.34 H new ATOM 0 HB3 ARG A 94 0.007 -11.172 12.117 1.00 10.34 H new ATOM 0 HG2 ARG A 94 1.415 -11.911 14.010 1.00 22.25 H new ATOM 0 HG3 ARG A 94 1.527 -10.177 13.785 1.00 22.25 H new ATOM 0 HD2 ARG A 94 -0.208 -9.891 15.632 1.00 54.42 H new ATOM 0 HD3 ARG A 94 -0.134 -11.620 15.908 1.00 54.42 H new ATOM 0 HE ARG A 94 2.389 -11.229 16.336 1.00 43.52 H new ATOM 0 HH11 ARG A 94 -0.072 -8.752 16.965 1.00 31.11 H new ATOM 0 HH12 ARG A 94 0.882 -7.972 18.232 1.00 31.11 H new ATOM 0 HH21 ARG A 94 3.575 -10.230 17.987 1.00 31.52 H new ATOM 0 HH22 ARG A 94 2.930 -8.803 18.805 1.00 31.52 H new ATOM 1566 N ILE A 95 -0.278 -8.266 11.481 1.00 71.25 N ATOM 1567 CA ILE A 95 0.404 -7.069 10.943 1.00 13.22 C ATOM 1568 C ILE A 95 -0.504 -5.825 11.122 1.00 31.13 C ATOM 1569 O ILE A 95 -0.038 -4.731 11.474 1.00 42.32 O ATOM 1570 CB ILE A 95 0.770 -7.250 9.417 1.00 65.40 C ATOM 1571 CG1 ILE A 95 1.396 -8.659 9.128 1.00 62.42 C ATOM 1572 CG2 ILE A 95 1.709 -6.123 8.927 1.00 41.21 C ATOM 1573 CD1 ILE A 95 2.600 -9.041 9.981 1.00 2.00 C ATOM 0 H ILE A 95 -0.610 -8.907 10.761 1.00 71.25 H new ATOM 0 HA ILE A 95 1.332 -6.931 11.497 1.00 13.22 H new ATOM 0 HB ILE A 95 -0.163 -7.184 8.857 1.00 65.40 H new ATOM 0 HG12 ILE A 95 0.622 -9.414 9.267 1.00 62.42 H new ATOM 0 HG13 ILE A 95 1.692 -8.695 8.080 1.00 62.42 H new ATOM 0 HG21 ILE A 95 1.942 -6.276 7.873 1.00 41.21 H new ATOM 0 HG22 ILE A 95 1.217 -5.159 9.053 1.00 41.21 H new ATOM 0 HG23 ILE A 95 2.631 -6.139 9.509 1.00 41.21 H new ATOM 0 HD11 ILE A 95 2.949 -10.033 9.695 1.00 2.00 H new ATOM 0 HD12 ILE A 95 3.400 -8.317 9.827 1.00 2.00 H new ATOM 0 HD13 ILE A 95 2.314 -9.047 11.033 1.00 2.00 H new ATOM 1585 N TYR A 96 -1.816 -6.049 10.905 1.00 4.11 N ATOM 1586 CA TYR A 96 -2.873 -5.026 11.024 1.00 31.40 C ATOM 1587 C TYR A 96 -2.914 -4.461 12.443 1.00 14.23 C ATOM 1588 O TYR A 96 -3.085 -3.264 12.614 1.00 15.41 O ATOM 1589 CB TYR A 96 -4.243 -5.666 10.652 1.00 33.22 C ATOM 1590 CG TYR A 96 -5.492 -4.757 10.725 1.00 75.31 C ATOM 1591 CD1 TYR A 96 -5.939 -4.047 9.608 1.00 31.21 C ATOM 1592 CD2 TYR A 96 -6.238 -4.632 11.908 1.00 51.21 C ATOM 1593 CE1 TYR A 96 -7.069 -3.253 9.667 1.00 12.32 C ATOM 1594 CE2 TYR A 96 -7.365 -3.832 11.966 1.00 71.35 C ATOM 1595 CZ TYR A 96 -7.776 -3.146 10.844 1.00 10.30 C ATOM 1596 OH TYR A 96 -8.902 -2.350 10.897 1.00 50.31 O ATOM 0 H TYR A 96 -2.177 -6.965 10.637 1.00 4.11 H new ATOM 0 HA TYR A 96 -2.660 -4.203 10.342 1.00 31.40 H new ATOM 0 HB2 TYR A 96 -4.169 -6.057 9.637 1.00 33.22 H new ATOM 0 HB3 TYR A 96 -4.407 -6.519 11.311 1.00 33.22 H new ATOM 0 HD1 TYR A 96 -5.391 -4.120 8.680 1.00 31.21 H new ATOM 0 HD2 TYR A 96 -5.926 -5.171 12.790 1.00 51.21 H new ATOM 0 HE1 TYR A 96 -7.398 -2.716 8.789 1.00 12.32 H new ATOM 0 HE2 TYR A 96 -7.921 -3.745 12.888 1.00 71.35 H new ATOM 0 HH TYR A 96 -9.285 -2.384 11.799 1.00 50.31 H new ATOM 1606 N GLU A 97 -2.754 -5.354 13.447 1.00 32.43 N ATOM 1607 CA GLU A 97 -2.727 -4.976 14.872 1.00 1.31 C ATOM 1608 C GLU A 97 -1.655 -3.902 15.130 1.00 3.04 C ATOM 1609 O GLU A 97 -1.951 -2.844 15.670 1.00 34.43 O ATOM 1610 CB GLU A 97 -2.426 -6.204 15.776 1.00 33.44 C ATOM 1611 CG GLU A 97 -2.438 -5.890 17.300 1.00 70.13 C ATOM 1612 CD GLU A 97 -1.743 -6.957 18.163 1.00 45.43 C ATOM 1613 OE1 GLU A 97 -2.165 -8.131 18.133 1.00 12.44 O ATOM 1614 OE2 GLU A 97 -0.769 -6.624 18.886 1.00 33.43 O ATOM 0 H GLU A 97 -2.640 -6.355 13.288 1.00 32.43 H new ATOM 0 HA GLU A 97 -3.713 -4.582 15.118 1.00 1.31 H new ATOM 0 HB2 GLU A 97 -3.162 -6.982 15.571 1.00 33.44 H new ATOM 0 HB3 GLU A 97 -1.450 -6.609 15.507 1.00 33.44 H new ATOM 0 HG2 GLU A 97 -1.951 -4.929 17.467 1.00 70.13 H new ATOM 0 HG3 GLU A 97 -3.471 -5.786 17.631 1.00 70.13 H new ATOM 1621 N GLN A 98 -0.427 -4.204 14.669 1.00 62.05 N ATOM 1622 CA GLN A 98 0.780 -3.389 14.903 1.00 75.22 C ATOM 1623 C GLN A 98 0.616 -1.982 14.275 1.00 50.12 C ATOM 1624 O GLN A 98 0.865 -0.958 14.928 1.00 13.53 O ATOM 1625 CB GLN A 98 2.011 -4.164 14.311 1.00 51.24 C ATOM 1626 CG GLN A 98 3.424 -3.724 14.788 1.00 0.32 C ATOM 1627 CD GLN A 98 3.954 -2.427 14.175 1.00 62.44 C ATOM 1628 OE1 GLN A 98 4.591 -2.441 13.120 1.00 21.30 O ATOM 1629 NE2 GLN A 98 3.701 -1.302 14.827 1.00 50.21 N ATOM 0 H GLN A 98 -0.242 -5.038 14.112 1.00 62.05 H new ATOM 0 HA GLN A 98 0.939 -3.233 15.970 1.00 75.22 H new ATOM 0 HB2 GLN A 98 1.889 -5.221 14.546 1.00 51.24 H new ATOM 0 HB3 GLN A 98 1.977 -4.073 13.225 1.00 51.24 H new ATOM 0 HG2 GLN A 98 3.403 -3.611 15.872 1.00 0.32 H new ATOM 0 HG3 GLN A 98 4.129 -4.525 14.565 1.00 0.32 H new ATOM 0 HE21 GLN A 98 3.171 -1.326 15.698 1.00 50.21 H new ATOM 0 HE22 GLN A 98 4.036 -0.412 14.458 1.00 50.21 H new ATOM 1638 N LEU A 99 0.154 -1.962 13.015 1.00 50.52 N ATOM 1639 CA LEU A 99 0.016 -0.735 12.210 1.00 13.04 C ATOM 1640 C LEU A 99 -1.158 0.156 12.709 1.00 23.33 C ATOM 1641 O LEU A 99 -0.985 1.364 12.929 1.00 13.02 O ATOM 1642 CB LEU A 99 -0.162 -1.126 10.713 1.00 12.22 C ATOM 1643 CG LEU A 99 1.135 -1.417 9.875 1.00 32.11 C ATOM 1644 CD1 LEU A 99 2.079 -2.442 10.543 1.00 51.03 C ATOM 1645 CD2 LEU A 99 0.757 -1.866 8.445 1.00 52.30 C ATOM 0 H LEU A 99 -0.138 -2.805 12.520 1.00 50.52 H new ATOM 0 HA LEU A 99 0.921 -0.138 12.320 1.00 13.04 H new ATOM 0 HB2 LEU A 99 -0.794 -2.013 10.671 1.00 12.22 H new ATOM 0 HB3 LEU A 99 -0.707 -0.322 10.219 1.00 12.22 H new ATOM 0 HG LEU A 99 1.693 -0.482 9.826 1.00 32.11 H new ATOM 0 HD11 LEU A 99 2.954 -2.596 9.912 1.00 51.03 H new ATOM 0 HD12 LEU A 99 2.395 -2.065 11.516 1.00 51.03 H new ATOM 0 HD13 LEU A 99 1.554 -3.389 10.674 1.00 51.03 H new ATOM 0 HD21 LEU A 99 1.664 -2.065 7.874 1.00 52.30 H new ATOM 0 HD22 LEU A 99 0.154 -2.773 8.496 1.00 52.30 H new ATOM 0 HD23 LEU A 99 0.186 -1.078 7.955 1.00 52.30 H new ATOM 1657 N LYS A 100 -2.332 -0.467 12.904 1.00 5.55 N ATOM 1658 CA LYS A 100 -3.578 0.211 13.346 1.00 55.43 C ATOM 1659 C LYS A 100 -3.393 0.804 14.764 1.00 4.33 C ATOM 1660 O LYS A 100 -3.968 1.845 15.093 1.00 4.22 O ATOM 1661 CB LYS A 100 -4.749 -0.829 13.287 1.00 53.31 C ATOM 1662 CG LYS A 100 -6.199 -0.303 13.491 1.00 43.22 C ATOM 1663 CD LYS A 100 -6.628 -0.230 14.974 1.00 54.10 C ATOM 1664 CE LYS A 100 -6.614 -1.603 15.673 1.00 3.14 C ATOM 1665 NZ LYS A 100 -6.809 -1.468 17.143 1.00 11.41 N ATOM 0 H LYS A 100 -2.452 -1.470 12.759 1.00 5.55 H new ATOM 0 HA LYS A 100 -3.817 1.046 12.688 1.00 55.43 H new ATOM 0 HB2 LYS A 100 -4.707 -1.326 12.318 1.00 53.31 H new ATOM 0 HB3 LYS A 100 -4.559 -1.590 14.044 1.00 53.31 H new ATOM 0 HG2 LYS A 100 -6.282 0.690 13.048 1.00 43.22 H new ATOM 0 HG3 LYS A 100 -6.891 -0.951 12.953 1.00 43.22 H new ATOM 0 HD2 LYS A 100 -5.962 0.449 15.506 1.00 54.10 H new ATOM 0 HD3 LYS A 100 -7.631 0.193 15.036 1.00 54.10 H new ATOM 0 HE2 LYS A 100 -7.400 -2.233 15.257 1.00 3.14 H new ATOM 0 HE3 LYS A 100 -5.666 -2.104 15.475 1.00 3.14 H new ATOM 0 HZ1 LYS A 100 -6.794 -2.410 17.583 1.00 11.41 H new ATOM 0 HZ2 LYS A 100 -6.044 -0.887 17.543 1.00 11.41 H new ATOM 0 HZ3 LYS A 100 -7.725 -1.012 17.331 1.00 11.41 H new ATOM 1679 N LYS A 101 -2.569 0.116 15.574 1.00 2.43 N ATOM 1680 CA LYS A 101 -2.185 0.549 16.936 1.00 70.12 C ATOM 1681 C LYS A 101 -1.459 1.912 16.918 1.00 14.04 C ATOM 1682 O LYS A 101 -1.695 2.768 17.783 1.00 21.02 O ATOM 1683 CB LYS A 101 -1.295 -0.541 17.586 1.00 21.43 C ATOM 1684 CG LYS A 101 -0.957 -0.330 19.076 1.00 65.41 C ATOM 1685 CD LYS A 101 -0.247 -1.560 19.700 1.00 43.15 C ATOM 1686 CE LYS A 101 -1.105 -2.846 19.645 1.00 62.33 C ATOM 1687 NZ LYS A 101 -0.416 -4.021 20.255 1.00 53.25 N ATOM 0 H LYS A 101 -2.143 -0.770 15.300 1.00 2.43 H new ATOM 0 HA LYS A 101 -3.091 0.680 17.528 1.00 70.12 H new ATOM 0 HB2 LYS A 101 -1.795 -1.503 17.479 1.00 21.43 H new ATOM 0 HB3 LYS A 101 -0.362 -0.603 17.026 1.00 21.43 H new ATOM 0 HG2 LYS A 101 -0.318 0.547 19.180 1.00 65.41 H new ATOM 0 HG3 LYS A 101 -1.874 -0.124 19.628 1.00 65.41 H new ATOM 0 HD2 LYS A 101 0.693 -1.734 19.176 1.00 43.15 H new ATOM 0 HD3 LYS A 101 0.003 -1.341 20.738 1.00 43.15 H new ATOM 0 HE2 LYS A 101 -2.048 -2.672 20.164 1.00 62.33 H new ATOM 0 HE3 LYS A 101 -1.350 -3.071 18.607 1.00 62.33 H new ATOM 0 HZ1 LYS A 101 -0.614 -4.871 19.690 1.00 53.25 H new ATOM 0 HZ2 LYS A 101 0.610 -3.850 20.276 1.00 53.25 H new ATOM 0 HZ3 LYS A 101 -0.763 -4.162 21.225 1.00 53.25 H new ATOM 1701 N ASP A 102 -0.575 2.096 15.915 1.00 11.15 N ATOM 1702 CA ASP A 102 0.124 3.382 15.680 1.00 15.44 C ATOM 1703 C ASP A 102 -0.858 4.447 15.137 1.00 64.34 C ATOM 1704 O ASP A 102 -0.687 5.651 15.378 1.00 1.20 O ATOM 1705 CB ASP A 102 1.303 3.169 14.688 1.00 50.32 C ATOM 1706 CG ASP A 102 2.046 4.479 14.328 1.00 2.41 C ATOM 1707 OD1 ASP A 102 1.884 4.995 13.196 1.00 15.33 O ATOM 1708 OD2 ASP A 102 2.792 5.004 15.182 1.00 40.45 O ATOM 0 H ASP A 102 -0.325 1.365 15.249 1.00 11.15 H new ATOM 0 HA ASP A 102 0.522 3.743 16.628 1.00 15.44 H new ATOM 0 HB2 ASP A 102 2.012 2.465 15.124 1.00 50.32 H new ATOM 0 HB3 ASP A 102 0.922 2.713 13.774 1.00 50.32 H new ATOM 1713 N GLY A 103 -1.905 3.976 14.439 1.00 12.14 N ATOM 1714 CA GLY A 103 -2.914 4.845 13.826 1.00 2.03 C ATOM 1715 C GLY A 103 -2.727 4.986 12.324 1.00 14.13 C ATOM 1716 O GLY A 103 -3.261 5.918 11.714 1.00 71.11 O ATOM 0 H GLY A 103 -2.072 2.982 14.286 1.00 12.14 H new ATOM 0 HA2 GLY A 103 -3.907 4.443 14.029 1.00 2.03 H new ATOM 0 HA3 GLY A 103 -2.869 5.831 14.289 1.00 2.03 H new ATOM 1720 N VAL A 104 -1.957 4.056 11.725 1.00 64.33 N ATOM 1721 CA VAL A 104 -1.771 3.973 10.259 1.00 1.20 C ATOM 1722 C VAL A 104 -3.102 3.562 9.599 1.00 54.14 C ATOM 1723 O VAL A 104 -3.813 2.708 10.147 1.00 2.35 O ATOM 1724 CB VAL A 104 -0.652 2.923 9.889 1.00 3.24 C ATOM 1725 CG1 VAL A 104 -0.363 2.885 8.369 1.00 21.21 C ATOM 1726 CG2 VAL A 104 0.637 3.184 10.698 1.00 24.34 C ATOM 0 H VAL A 104 -1.446 3.341 12.242 1.00 64.33 H new ATOM 0 HA VAL A 104 -1.458 4.951 9.893 1.00 1.20 H new ATOM 0 HB VAL A 104 -1.032 1.938 10.161 1.00 3.24 H new ATOM 0 HG11 VAL A 104 0.413 2.148 8.165 1.00 21.21 H new ATOM 0 HG12 VAL A 104 -1.272 2.613 7.833 1.00 21.21 H new ATOM 0 HG13 VAL A 104 -0.027 3.868 8.038 1.00 21.21 H new ATOM 0 HG21 VAL A 104 1.393 2.448 10.425 1.00 24.34 H new ATOM 0 HG22 VAL A 104 1.009 4.185 10.477 1.00 24.34 H new ATOM 0 HG23 VAL A 104 0.420 3.104 11.763 1.00 24.34 H new ATOM 1736 N ASP A 105 -3.439 4.168 8.440 1.00 20.12 N ATOM 1737 CA ASP A 105 -4.688 3.864 7.724 1.00 43.24 C ATOM 1738 C ASP A 105 -4.538 2.484 7.052 1.00 43.14 C ATOM 1739 O ASP A 105 -3.806 2.346 6.074 1.00 0.14 O ATOM 1740 CB ASP A 105 -4.983 4.968 6.676 1.00 2.54 C ATOM 1741 CG ASP A 105 -6.398 4.863 6.078 1.00 2.03 C ATOM 1742 OD1 ASP A 105 -7.351 5.432 6.664 1.00 72.35 O ATOM 1743 OD2 ASP A 105 -6.574 4.209 5.021 1.00 25.42 O ATOM 0 H ASP A 105 -2.859 4.872 7.983 1.00 20.12 H new ATOM 0 HA ASP A 105 -5.528 3.838 8.418 1.00 43.24 H new ATOM 0 HB2 ASP A 105 -4.863 5.946 7.142 1.00 2.54 H new ATOM 0 HB3 ASP A 105 -4.249 4.905 5.873 1.00 2.54 H new ATOM 1748 N VAL A 106 -5.214 1.463 7.611 1.00 70.23 N ATOM 1749 CA VAL A 106 -4.993 0.043 7.244 1.00 10.33 C ATOM 1750 C VAL A 106 -6.312 -0.724 7.055 1.00 31.23 C ATOM 1751 O VAL A 106 -7.341 -0.407 7.669 1.00 24.54 O ATOM 1752 CB VAL A 106 -4.122 -0.689 8.331 1.00 70.12 C ATOM 1753 CG1 VAL A 106 -2.668 -0.186 8.331 1.00 75.01 C ATOM 1754 CG2 VAL A 106 -4.746 -0.535 9.737 1.00 4.42 C ATOM 0 H VAL A 106 -5.928 1.594 8.328 1.00 70.23 H new ATOM 0 HA VAL A 106 -4.463 0.051 6.291 1.00 10.33 H new ATOM 0 HB VAL A 106 -4.108 -1.748 8.071 1.00 70.12 H new ATOM 0 HG11 VAL A 106 -2.100 -0.716 9.095 1.00 75.01 H new ATOM 0 HG12 VAL A 106 -2.220 -0.368 7.354 1.00 75.01 H new ATOM 0 HG13 VAL A 106 -2.653 0.883 8.544 1.00 75.01 H new ATOM 0 HG21 VAL A 106 -4.124 -1.050 10.469 1.00 4.42 H new ATOM 0 HG22 VAL A 106 -4.808 0.523 9.994 1.00 4.42 H new ATOM 0 HG23 VAL A 106 -5.746 -0.969 9.741 1.00 4.42 H new ATOM 1764 N ARG A 107 -6.240 -1.754 6.199 1.00 1.43 N ATOM 1765 CA ARG A 107 -7.366 -2.618 5.841 1.00 12.33 C ATOM 1766 C ARG A 107 -6.848 -3.988 5.381 1.00 73.41 C ATOM 1767 O ARG A 107 -5.846 -4.085 4.650 1.00 71.35 O ATOM 1768 CB ARG A 107 -8.226 -1.933 4.747 1.00 13.32 C ATOM 1769 CG ARG A 107 -7.418 -1.304 3.579 1.00 63.03 C ATOM 1770 CD ARG A 107 -8.297 -0.462 2.650 1.00 31.42 C ATOM 1771 NE ARG A 107 -9.123 0.495 3.401 1.00 12.30 N ATOM 1772 CZ ARG A 107 -9.991 1.355 2.870 1.00 14.23 C ATOM 1773 NH1 ARG A 107 -10.160 1.419 1.549 1.00 3.44 N ATOM 1774 NH2 ARG A 107 -10.705 2.131 3.670 1.00 41.42 N ATOM 0 H ARG A 107 -5.374 -2.013 5.727 1.00 1.43 H new ATOM 0 HA ARG A 107 -8.000 -2.778 6.713 1.00 12.33 H new ATOM 0 HB2 ARG A 107 -8.918 -2.668 4.336 1.00 13.32 H new ATOM 0 HB3 ARG A 107 -8.828 -1.154 5.214 1.00 13.32 H new ATOM 0 HG2 ARG A 107 -6.622 -0.680 3.986 1.00 63.03 H new ATOM 0 HG3 ARG A 107 -6.940 -2.096 3.003 1.00 63.03 H new ATOM 0 HD2 ARG A 107 -7.667 0.078 1.943 1.00 31.42 H new ATOM 0 HD3 ARG A 107 -8.942 -1.118 2.065 1.00 31.42 H new ATOM 0 HE ARG A 107 -9.023 0.501 4.416 1.00 12.30 H new ATOM 0 HH11 ARG A 107 -9.622 0.806 0.936 1.00 3.44 H new ATOM 0 HH12 ARG A 107 -10.827 2.081 1.152 1.00 3.44 H new ATOM 0 HH21 ARG A 107 -10.587 2.067 4.681 1.00 41.42 H new ATOM 0 HH22 ARG A 107 -11.373 2.793 3.275 1.00 41.42 H new ATOM 1788 N VAL A 108 -7.534 -5.046 5.832 1.00 63.33 N ATOM 1789 CA VAL A 108 -7.190 -6.442 5.531 1.00 55.13 C ATOM 1790 C VAL A 108 -8.414 -7.161 4.949 1.00 60.43 C ATOM 1791 O VAL A 108 -9.544 -6.963 5.423 1.00 22.11 O ATOM 1792 CB VAL A 108 -6.660 -7.198 6.812 1.00 62.23 C ATOM 1793 CG1 VAL A 108 -5.247 -6.723 7.190 1.00 62.53 C ATOM 1794 CG2 VAL A 108 -7.622 -7.049 8.018 1.00 73.24 C ATOM 0 H VAL A 108 -8.358 -4.955 6.426 1.00 63.33 H new ATOM 0 HA VAL A 108 -6.386 -6.445 4.795 1.00 55.13 H new ATOM 0 HB VAL A 108 -6.615 -8.257 6.557 1.00 62.23 H new ATOM 0 HG11 VAL A 108 -4.907 -7.260 8.075 1.00 62.53 H new ATOM 0 HG12 VAL A 108 -4.564 -6.918 6.363 1.00 62.53 H new ATOM 0 HG13 VAL A 108 -5.267 -5.654 7.400 1.00 62.53 H new ATOM 0 HG21 VAL A 108 -7.216 -7.585 8.876 1.00 73.24 H new ATOM 0 HG22 VAL A 108 -7.731 -5.994 8.268 1.00 73.24 H new ATOM 0 HG23 VAL A 108 -8.597 -7.463 7.759 1.00 73.24 H new ATOM 1804 N THR A 109 -8.191 -7.966 3.897 1.00 73.04 N ATOM 1805 CA THR A 109 -9.254 -8.714 3.221 1.00 22.33 C ATOM 1806 C THR A 109 -8.694 -9.958 2.522 1.00 45.42 C ATOM 1807 O THR A 109 -7.844 -9.855 1.641 1.00 3.33 O ATOM 1808 CB THR A 109 -10.047 -7.820 2.183 1.00 51.55 C ATOM 1809 OG1 THR A 109 -10.902 -8.646 1.362 1.00 0.30 O ATOM 1810 CG2 THR A 109 -9.129 -6.965 1.279 1.00 43.41 C ATOM 0 H THR A 109 -7.266 -8.114 3.494 1.00 73.04 H new ATOM 0 HA THR A 109 -9.955 -9.028 3.994 1.00 22.33 H new ATOM 0 HB THR A 109 -10.645 -7.126 2.774 1.00 51.55 H new ATOM 0 HG1 THR A 109 -10.649 -8.544 0.421 1.00 0.30 H new ATOM 0 HG21 THR A 109 -9.739 -6.378 0.593 1.00 43.41 H new ATOM 0 HG22 THR A 109 -8.531 -6.295 1.897 1.00 43.41 H new ATOM 0 HG23 THR A 109 -8.469 -7.619 0.709 1.00 43.41 H new ATOM 1818 N ASP A 110 -9.164 -11.137 2.949 1.00 24.14 N ATOM 1819 CA ASP A 110 -9.015 -12.373 2.173 1.00 41.34 C ATOM 1820 C ASP A 110 -10.133 -12.404 1.109 1.00 62.11 C ATOM 1821 O ASP A 110 -11.230 -12.900 1.371 1.00 45.32 O ATOM 1822 CB ASP A 110 -9.073 -13.619 3.106 1.00 71.30 C ATOM 1823 CG ASP A 110 -9.207 -14.957 2.345 1.00 24.04 C ATOM 1824 OD1 ASP A 110 -10.188 -15.703 2.590 1.00 35.34 O ATOM 1825 OD2 ASP A 110 -8.364 -15.246 1.474 1.00 61.13 O ATOM 0 H ASP A 110 -9.654 -11.260 3.835 1.00 24.14 H new ATOM 0 HA ASP A 110 -8.044 -12.398 1.679 1.00 41.34 H new ATOM 0 HB2 ASP A 110 -8.171 -13.647 3.717 1.00 71.30 H new ATOM 0 HB3 ASP A 110 -9.917 -13.513 3.788 1.00 71.30 H new ATOM 1830 N ASN A 111 -9.823 -11.803 -0.052 1.00 23.25 N ATOM 1831 CA ASN A 111 -10.706 -11.672 -1.241 1.00 5.44 C ATOM 1832 C ASN A 111 -10.083 -10.634 -2.175 1.00 31.44 C ATOM 1833 O ASN A 111 -9.731 -9.533 -1.728 1.00 32.14 O ATOM 1834 CB ASN A 111 -12.195 -11.234 -0.924 1.00 12.14 C ATOM 1835 CG ASN A 111 -13.192 -12.406 -0.850 1.00 11.04 C ATOM 1836 OD1 ASN A 111 -13.017 -13.424 -1.520 1.00 54.44 O ATOM 1837 ND2 ASN A 111 -14.247 -12.267 -0.058 1.00 72.33 N ATOM 0 H ASN A 111 -8.910 -11.373 -0.202 1.00 23.25 H new ATOM 0 HA ASN A 111 -10.776 -12.664 -1.686 1.00 5.44 H new ATOM 0 HB2 ASN A 111 -12.211 -10.697 0.024 1.00 12.14 H new ATOM 0 HB3 ASN A 111 -12.528 -10.535 -1.691 1.00 12.14 H new ATOM 0 HD21 ASN A 111 -14.938 -13.014 0.007 1.00 72.33 H new ATOM 0 HD22 ASN A 111 -14.367 -11.413 0.486 1.00 72.33 H new ATOM 1844 N GLU A 112 -9.974 -10.990 -3.462 1.00 24.11 N ATOM 1845 CA GLU A 112 -9.498 -10.082 -4.521 1.00 42.35 C ATOM 1846 C GLU A 112 -10.597 -9.053 -4.882 1.00 71.12 C ATOM 1847 O GLU A 112 -10.289 -7.940 -5.312 1.00 74.12 O ATOM 1848 CB GLU A 112 -9.090 -10.899 -5.768 1.00 42.42 C ATOM 1849 CG GLU A 112 -8.429 -10.081 -6.898 1.00 53.13 C ATOM 1850 CD GLU A 112 -8.191 -10.915 -8.167 1.00 33.34 C ATOM 1851 OE1 GLU A 112 -9.078 -10.929 -9.057 1.00 4.31 O ATOM 1852 OE2 GLU A 112 -7.138 -11.578 -8.265 1.00 63.55 O ATOM 0 H GLU A 112 -10.214 -11.921 -3.802 1.00 24.11 H new ATOM 0 HA GLU A 112 -8.627 -9.538 -4.157 1.00 42.35 H new ATOM 0 HB2 GLU A 112 -8.401 -11.685 -5.459 1.00 42.42 H new ATOM 0 HB3 GLU A 112 -9.977 -11.391 -6.167 1.00 42.42 H new ATOM 0 HG2 GLU A 112 -9.061 -9.227 -7.142 1.00 53.13 H new ATOM 0 HG3 GLU A 112 -7.478 -9.683 -6.545 1.00 53.13 H new ATOM 1859 N ASP A 113 -11.879 -9.438 -4.682 1.00 72.01 N ATOM 1860 CA ASP A 113 -13.048 -8.581 -4.986 1.00 1.12 C ATOM 1861 C ASP A 113 -13.074 -7.351 -4.062 1.00 74.33 C ATOM 1862 O ASP A 113 -13.010 -6.202 -4.530 1.00 4.33 O ATOM 1863 CB ASP A 113 -14.365 -9.389 -4.842 1.00 44.43 C ATOM 1864 CG ASP A 113 -15.599 -8.599 -5.326 1.00 25.15 C ATOM 1865 OD1 ASP A 113 -15.815 -8.531 -6.559 1.00 54.20 O ATOM 1866 OD2 ASP A 113 -16.349 -8.041 -4.490 1.00 35.23 O ATOM 0 H ASP A 113 -12.132 -10.352 -4.305 1.00 72.01 H new ATOM 0 HA ASP A 113 -12.961 -8.237 -6.017 1.00 1.12 H new ATOM 0 HB2 ASP A 113 -14.284 -10.315 -5.412 1.00 44.43 H new ATOM 0 HB3 ASP A 113 -14.503 -9.669 -3.798 1.00 44.43 H new ATOM 1871 N GLU A 114 -13.136 -7.622 -2.739 1.00 43.01 N ATOM 1872 CA GLU A 114 -13.062 -6.586 -1.691 1.00 64.43 C ATOM 1873 C GLU A 114 -11.741 -5.802 -1.784 1.00 51.24 C ATOM 1874 O GLU A 114 -11.720 -4.619 -1.466 1.00 31.42 O ATOM 1875 CB GLU A 114 -13.228 -7.208 -0.269 1.00 75.53 C ATOM 1876 CG GLU A 114 -14.682 -7.490 0.175 1.00 65.12 C ATOM 1877 CD GLU A 114 -15.468 -8.398 -0.780 1.00 20.23 C ATOM 1878 OE1 GLU A 114 -15.094 -9.572 -0.934 1.00 10.02 O ATOM 1879 OE2 GLU A 114 -16.477 -7.955 -1.364 1.00 71.15 O ATOM 0 H GLU A 114 -13.239 -8.567 -2.370 1.00 43.01 H new ATOM 0 HA GLU A 114 -13.886 -5.892 -1.856 1.00 64.43 H new ATOM 0 HB2 GLU A 114 -12.669 -8.143 -0.234 1.00 75.53 H new ATOM 0 HB3 GLU A 114 -12.770 -6.536 0.457 1.00 75.53 H new ATOM 0 HG2 GLU A 114 -14.665 -7.949 1.163 1.00 65.12 H new ATOM 0 HG3 GLU A 114 -15.210 -6.542 0.273 1.00 65.12 H new ATOM 1886 N ALA A 115 -10.657 -6.476 -2.235 1.00 52.23 N ATOM 1887 CA ALA A 115 -9.335 -5.849 -2.419 1.00 74.23 C ATOM 1888 C ALA A 115 -9.388 -4.686 -3.425 1.00 42.00 C ATOM 1889 O ALA A 115 -8.842 -3.627 -3.158 1.00 24.11 O ATOM 1890 CB ALA A 115 -8.307 -6.886 -2.876 1.00 11.41 C ATOM 0 H ALA A 115 -10.678 -7.466 -2.480 1.00 52.23 H new ATOM 0 HA ALA A 115 -9.033 -5.444 -1.453 1.00 74.23 H new ATOM 0 HB1 ALA A 115 -7.338 -6.405 -3.006 1.00 11.41 H new ATOM 0 HB2 ALA A 115 -8.224 -7.671 -2.125 1.00 11.41 H new ATOM 0 HB3 ALA A 115 -8.626 -7.322 -3.823 1.00 11.41 H new ATOM 1896 N LYS A 116 -10.064 -4.918 -4.575 1.00 35.21 N ATOM 1897 CA LYS A 116 -10.196 -3.926 -5.678 1.00 4.12 C ATOM 1898 C LYS A 116 -11.020 -2.698 -5.253 1.00 30.44 C ATOM 1899 O LYS A 116 -10.670 -1.558 -5.563 1.00 71.41 O ATOM 1900 CB LYS A 116 -10.858 -4.590 -6.915 1.00 2.30 C ATOM 1901 CG LYS A 116 -10.031 -5.726 -7.547 1.00 50.43 C ATOM 1902 CD LYS A 116 -10.798 -6.477 -8.660 1.00 34.33 C ATOM 1903 CE LYS A 116 -10.002 -7.653 -9.227 1.00 73.14 C ATOM 1904 NZ LYS A 116 -10.769 -8.439 -10.229 1.00 62.05 N ATOM 0 H LYS A 116 -10.536 -5.801 -4.768 1.00 35.21 H new ATOM 0 HA LYS A 116 -9.192 -3.586 -5.931 1.00 4.12 H new ATOM 0 HB2 LYS A 116 -11.831 -4.985 -6.623 1.00 2.30 H new ATOM 0 HB3 LYS A 116 -11.038 -3.825 -7.670 1.00 2.30 H new ATOM 0 HG2 LYS A 116 -9.111 -5.313 -7.961 1.00 50.43 H new ATOM 0 HG3 LYS A 116 -9.741 -6.434 -6.770 1.00 50.43 H new ATOM 0 HD2 LYS A 116 -11.745 -6.841 -8.262 1.00 34.33 H new ATOM 0 HD3 LYS A 116 -11.037 -5.782 -9.465 1.00 34.33 H new ATOM 0 HE2 LYS A 116 -9.088 -7.278 -9.688 1.00 73.14 H new ATOM 0 HE3 LYS A 116 -9.701 -8.309 -8.410 1.00 73.14 H new ATOM 0 HZ1 LYS A 116 -10.130 -8.755 -10.986 1.00 62.05 H new ATOM 0 HZ2 LYS A 116 -11.195 -9.268 -9.768 1.00 62.05 H new ATOM 0 HZ3 LYS A 116 -11.520 -7.845 -10.635 1.00 62.05 H new ATOM 1918 N LYS A 117 -12.118 -2.958 -4.545 1.00 53.31 N ATOM 1919 CA LYS A 117 -13.042 -1.917 -4.061 1.00 53.23 C ATOM 1920 C LYS A 117 -12.353 -1.037 -2.994 1.00 75.02 C ATOM 1921 O LYS A 117 -12.437 0.204 -3.036 1.00 65.12 O ATOM 1922 CB LYS A 117 -14.317 -2.624 -3.531 1.00 53.42 C ATOM 1923 CG LYS A 117 -15.147 -3.324 -4.649 1.00 32.02 C ATOM 1924 CD LYS A 117 -15.855 -4.621 -4.189 1.00 50.15 C ATOM 1925 CE LYS A 117 -16.778 -4.439 -2.978 1.00 3.14 C ATOM 1926 NZ LYS A 117 -17.513 -5.697 -2.676 1.00 62.41 N ATOM 0 H LYS A 117 -12.399 -3.903 -4.286 1.00 53.31 H new ATOM 0 HA LYS A 117 -13.329 -1.240 -4.865 1.00 53.23 H new ATOM 0 HB2 LYS A 117 -14.029 -3.365 -2.785 1.00 53.42 H new ATOM 0 HB3 LYS A 117 -14.947 -1.891 -3.026 1.00 53.42 H new ATOM 0 HG2 LYS A 117 -15.896 -2.626 -5.022 1.00 32.02 H new ATOM 0 HG3 LYS A 117 -14.487 -3.559 -5.484 1.00 32.02 H new ATOM 0 HD2 LYS A 117 -16.439 -5.017 -5.020 1.00 50.15 H new ATOM 0 HD3 LYS A 117 -15.099 -5.368 -3.946 1.00 50.15 H new ATOM 0 HE2 LYS A 117 -16.191 -4.139 -2.110 1.00 3.14 H new ATOM 0 HE3 LYS A 117 -17.489 -3.636 -3.175 1.00 3.14 H new ATOM 0 HZ1 LYS A 117 -18.334 -5.484 -2.074 1.00 62.41 H new ATOM 0 HZ2 LYS A 117 -17.838 -6.131 -3.564 1.00 62.41 H new ATOM 0 HZ3 LYS A 117 -16.881 -6.357 -2.179 1.00 62.41 H new ATOM 1940 N ARG A 118 -11.617 -1.699 -2.086 1.00 64.44 N ATOM 1941 CA ARG A 118 -10.805 -1.037 -1.050 1.00 64.35 C ATOM 1942 C ARG A 118 -9.579 -0.319 -1.666 1.00 3.33 C ATOM 1943 O ARG A 118 -9.115 0.690 -1.120 1.00 54.23 O ATOM 1944 CB ARG A 118 -10.342 -2.078 0.013 1.00 35.23 C ATOM 1945 CG ARG A 118 -11.446 -2.570 0.983 1.00 15.20 C ATOM 1946 CD ARG A 118 -12.069 -1.424 1.800 1.00 55.41 C ATOM 1947 NE ARG A 118 -12.908 -1.894 2.913 1.00 13.22 N ATOM 1948 CZ ARG A 118 -13.549 -1.092 3.779 1.00 31.54 C ATOM 1949 NH1 ARG A 118 -13.470 0.234 3.675 1.00 35.44 N ATOM 1950 NH2 ARG A 118 -14.259 -1.622 4.760 1.00 42.22 N ATOM 0 H ARG A 118 -11.568 -2.717 -2.050 1.00 64.44 H new ATOM 0 HA ARG A 118 -11.426 -0.282 -0.567 1.00 64.35 H new ATOM 0 HB2 ARG A 118 -9.926 -2.942 -0.506 1.00 35.23 H new ATOM 0 HB3 ARG A 118 -9.535 -1.639 0.600 1.00 35.23 H new ATOM 0 HG2 ARG A 118 -12.228 -3.072 0.413 1.00 15.20 H new ATOM 0 HG3 ARG A 118 -11.023 -3.309 1.664 1.00 15.20 H new ATOM 0 HD2 ARG A 118 -11.272 -0.794 2.195 1.00 55.41 H new ATOM 0 HD3 ARG A 118 -12.670 -0.800 1.139 1.00 55.41 H new ATOM 0 HE ARG A 118 -13.010 -2.901 3.036 1.00 13.22 H new ATOM 0 HH11 ARG A 118 -12.916 0.655 2.929 1.00 35.44 H new ATOM 0 HH12 ARG A 118 -13.963 0.828 4.341 1.00 35.44 H new ATOM 0 HH21 ARG A 118 -14.318 -2.636 4.857 1.00 42.22 H new ATOM 0 HH22 ARG A 118 -14.748 -1.017 5.420 1.00 42.22 H new ATOM 1964 N LEU A 119 -9.072 -0.864 -2.798 1.00 62.21 N ATOM 1965 CA LEU A 119 -7.913 -0.317 -3.540 1.00 21.42 C ATOM 1966 C LEU A 119 -8.284 1.067 -4.057 1.00 64.42 C ATOM 1967 O LEU A 119 -7.683 2.073 -3.656 1.00 62.12 O ATOM 1968 CB LEU A 119 -7.509 -1.297 -4.707 1.00 45.14 C ATOM 1969 CG LEU A 119 -6.090 -1.158 -5.365 1.00 21.22 C ATOM 1970 CD1 LEU A 119 -5.911 0.154 -6.134 1.00 62.32 C ATOM 1971 CD2 LEU A 119 -4.968 -1.346 -4.328 1.00 22.44 C ATOM 0 H LEU A 119 -9.461 -1.705 -3.225 1.00 62.21 H new ATOM 0 HA LEU A 119 -7.045 -0.224 -2.888 1.00 21.42 H new ATOM 0 HB2 LEU A 119 -7.596 -2.315 -4.326 1.00 45.14 H new ATOM 0 HB3 LEU A 119 -8.250 -1.188 -5.499 1.00 45.14 H new ATOM 0 HG LEU A 119 -6.018 -1.961 -6.099 1.00 21.22 H new ATOM 0 HD11 LEU A 119 -4.910 0.190 -6.565 1.00 62.32 H new ATOM 0 HD12 LEU A 119 -6.652 0.212 -6.931 1.00 62.32 H new ATOM 0 HD13 LEU A 119 -6.043 0.995 -5.454 1.00 62.32 H new ATOM 0 HD21 LEU A 119 -3.999 -1.243 -4.817 1.00 22.44 H new ATOM 0 HD22 LEU A 119 -5.063 -0.590 -3.548 1.00 22.44 H new ATOM 0 HD23 LEU A 119 -5.046 -2.338 -3.883 1.00 22.44 H new ATOM 1983 N LYS A 120 -9.332 1.094 -4.901 1.00 22.34 N ATOM 1984 CA LYS A 120 -9.821 2.310 -5.540 1.00 24.15 C ATOM 1985 C LYS A 120 -10.232 3.353 -4.494 1.00 53.21 C ATOM 1986 O LYS A 120 -9.967 4.541 -4.687 1.00 4.33 O ATOM 1987 CB LYS A 120 -11.015 1.991 -6.471 1.00 71.40 C ATOM 1988 CG LYS A 120 -11.553 3.211 -7.254 1.00 52.21 C ATOM 1989 CD LYS A 120 -12.746 2.867 -8.165 1.00 20.31 C ATOM 1990 CE LYS A 120 -12.385 1.888 -9.292 1.00 74.23 C ATOM 1991 NZ LYS A 120 -13.576 1.557 -10.121 1.00 2.23 N ATOM 0 H LYS A 120 -9.862 0.260 -5.155 1.00 22.34 H new ATOM 0 HA LYS A 120 -9.009 2.725 -6.138 1.00 24.15 H new ATOM 0 HB2 LYS A 120 -10.711 1.222 -7.182 1.00 71.40 H new ATOM 0 HB3 LYS A 120 -11.825 1.571 -5.874 1.00 71.40 H new ATOM 0 HG2 LYS A 120 -11.854 3.984 -6.547 1.00 52.21 H new ATOM 0 HG3 LYS A 120 -10.749 3.629 -7.860 1.00 52.21 H new ATOM 0 HD2 LYS A 120 -13.544 2.436 -7.560 1.00 20.31 H new ATOM 0 HD3 LYS A 120 -13.138 3.786 -8.602 1.00 20.31 H new ATOM 0 HE2 LYS A 120 -11.610 2.325 -9.922 1.00 74.23 H new ATOM 0 HE3 LYS A 120 -11.971 0.975 -8.865 1.00 74.23 H new ATOM 0 HZ1 LYS A 120 -13.302 0.894 -10.874 1.00 2.23 H new ATOM 0 HZ2 LYS A 120 -14.305 1.119 -9.522 1.00 2.23 H new ATOM 0 HZ3 LYS A 120 -13.955 2.427 -10.547 1.00 2.23 H new ATOM 2005 N GLU A 121 -10.840 2.883 -3.365 1.00 13.03 N ATOM 2006 CA GLU A 121 -11.283 3.774 -2.272 1.00 13.12 C ATOM 2007 C GLU A 121 -10.122 4.664 -1.776 1.00 15.30 C ATOM 2008 O GLU A 121 -10.290 5.867 -1.660 1.00 62.52 O ATOM 2009 CB GLU A 121 -11.872 2.986 -1.070 1.00 44.41 C ATOM 2010 CG GLU A 121 -12.561 3.890 -0.005 1.00 43.15 C ATOM 2011 CD GLU A 121 -12.835 3.216 1.350 1.00 63.23 C ATOM 2012 OE1 GLU A 121 -12.745 3.897 2.398 1.00 24.51 O ATOM 2013 OE2 GLU A 121 -13.087 1.997 1.386 1.00 45.14 O ATOM 0 H GLU A 121 -11.030 1.895 -3.197 1.00 13.03 H new ATOM 0 HA GLU A 121 -12.072 4.400 -2.689 1.00 13.12 H new ATOM 0 HB2 GLU A 121 -12.596 2.262 -1.442 1.00 44.41 H new ATOM 0 HB3 GLU A 121 -11.073 2.420 -0.591 1.00 44.41 H new ATOM 0 HG2 GLU A 121 -11.935 4.766 0.164 1.00 43.15 H new ATOM 0 HG3 GLU A 121 -13.507 4.247 -0.412 1.00 43.15 H new ATOM 2020 N LEU A 122 -8.938 4.046 -1.546 1.00 53.42 N ATOM 2021 CA LEU A 122 -7.730 4.745 -1.032 1.00 1.11 C ATOM 2022 C LEU A 122 -7.250 5.829 -2.011 1.00 50.34 C ATOM 2023 O LEU A 122 -6.900 6.951 -1.603 1.00 43.31 O ATOM 2024 CB LEU A 122 -6.593 3.724 -0.775 1.00 14.54 C ATOM 2025 CG LEU A 122 -6.894 2.627 0.288 1.00 33.41 C ATOM 2026 CD1 LEU A 122 -5.731 1.626 0.390 1.00 31.44 C ATOM 2027 CD2 LEU A 122 -7.224 3.245 1.665 1.00 53.42 C ATOM 0 H LEU A 122 -8.791 3.050 -1.711 1.00 53.42 H new ATOM 0 HA LEU A 122 -7.998 5.232 -0.094 1.00 1.11 H new ATOM 0 HB2 LEU A 122 -6.351 3.233 -1.718 1.00 14.54 H new ATOM 0 HB3 LEU A 122 -5.703 4.271 -0.463 1.00 14.54 H new ATOM 0 HG LEU A 122 -7.778 2.082 -0.042 1.00 33.41 H new ATOM 0 HD11 LEU A 122 -5.966 0.870 1.139 1.00 31.44 H new ATOM 0 HD12 LEU A 122 -5.580 1.145 -0.576 1.00 31.44 H new ATOM 0 HD13 LEU A 122 -4.822 2.153 0.679 1.00 31.44 H new ATOM 0 HD21 LEU A 122 -7.429 2.449 2.381 1.00 53.42 H new ATOM 0 HD22 LEU A 122 -6.376 3.836 2.011 1.00 53.42 H new ATOM 0 HD23 LEU A 122 -8.101 3.886 1.575 1.00 53.42 H new ATOM 2039 N LEU A 123 -7.262 5.476 -3.309 1.00 52.43 N ATOM 2040 CA LEU A 123 -6.899 6.398 -4.400 1.00 35.24 C ATOM 2041 C LEU A 123 -7.915 7.555 -4.511 1.00 64.23 C ATOM 2042 O LEU A 123 -7.574 8.628 -4.990 1.00 42.34 O ATOM 2043 CB LEU A 123 -6.753 5.643 -5.757 1.00 60.21 C ATOM 2044 CG LEU A 123 -5.422 4.832 -5.978 1.00 72.25 C ATOM 2045 CD1 LEU A 123 -4.174 5.739 -5.841 1.00 12.23 C ATOM 2046 CD2 LEU A 123 -5.313 3.602 -5.050 1.00 24.51 C ATOM 0 H LEU A 123 -7.523 4.544 -3.631 1.00 52.43 H new ATOM 0 HA LEU A 123 -5.928 6.829 -4.158 1.00 35.24 H new ATOM 0 HB2 LEU A 123 -7.591 4.953 -5.854 1.00 60.21 H new ATOM 0 HB3 LEU A 123 -6.845 6.371 -6.563 1.00 60.21 H new ATOM 0 HG LEU A 123 -5.460 4.457 -7.001 1.00 72.25 H new ATOM 0 HD11 LEU A 123 -3.274 5.145 -6.000 1.00 12.23 H new ATOM 0 HD12 LEU A 123 -4.219 6.535 -6.584 1.00 12.23 H new ATOM 0 HD13 LEU A 123 -4.149 6.176 -4.843 1.00 12.23 H new ATOM 0 HD21 LEU A 123 -4.376 3.080 -5.246 1.00 24.51 H new ATOM 0 HD22 LEU A 123 -5.337 3.928 -4.010 1.00 24.51 H new ATOM 0 HD23 LEU A 123 -6.149 2.929 -5.239 1.00 24.51 H new ATOM 2058 N GLU A 124 -9.162 7.317 -4.072 1.00 2.35 N ATOM 2059 CA GLU A 124 -10.208 8.357 -3.998 1.00 43.43 C ATOM 2060 C GLU A 124 -10.120 9.151 -2.671 1.00 62.33 C ATOM 2061 O GLU A 124 -10.553 10.295 -2.617 1.00 5.43 O ATOM 2062 CB GLU A 124 -11.608 7.716 -4.172 1.00 60.22 C ATOM 2063 CG GLU A 124 -11.791 6.967 -5.504 1.00 34.25 C ATOM 2064 CD GLU A 124 -13.179 6.329 -5.664 1.00 54.34 C ATOM 2065 OE1 GLU A 124 -13.465 5.331 -4.970 1.00 61.13 O ATOM 2066 OE2 GLU A 124 -13.986 6.814 -6.488 1.00 51.25 O ATOM 0 H GLU A 124 -9.476 6.399 -3.758 1.00 2.35 H new ATOM 0 HA GLU A 124 -10.046 9.065 -4.811 1.00 43.43 H new ATOM 0 HB2 GLU A 124 -11.784 7.023 -3.350 1.00 60.22 H new ATOM 0 HB3 GLU A 124 -12.366 8.496 -4.098 1.00 60.22 H new ATOM 0 HG2 GLU A 124 -11.622 7.661 -6.328 1.00 34.25 H new ATOM 0 HG3 GLU A 124 -11.031 6.189 -5.581 1.00 34.25 H new ATOM 2073 N LYS A 125 -9.551 8.528 -1.613 1.00 53.21 N ATOM 2074 CA LYS A 125 -9.418 9.141 -0.263 1.00 42.22 C ATOM 2075 C LYS A 125 -8.350 10.250 -0.256 1.00 53.35 C ATOM 2076 O LYS A 125 -8.505 11.269 0.438 1.00 21.22 O ATOM 2077 CB LYS A 125 -9.095 8.053 0.810 1.00 61.52 C ATOM 2078 CG LYS A 125 -10.288 7.128 1.164 1.00 52.31 C ATOM 2079 CD LYS A 125 -9.900 5.956 2.092 1.00 63.52 C ATOM 2080 CE LYS A 125 -9.377 6.422 3.453 1.00 25.54 C ATOM 2081 NZ LYS A 125 -9.102 5.283 4.367 1.00 72.21 N ATOM 0 H LYS A 125 -9.169 7.584 -1.668 1.00 53.21 H new ATOM 0 HA LYS A 125 -10.374 9.599 -0.009 1.00 42.22 H new ATOM 0 HB2 LYS A 125 -8.269 7.439 0.450 1.00 61.52 H new ATOM 0 HB3 LYS A 125 -8.752 8.547 1.719 1.00 61.52 H new ATOM 0 HG2 LYS A 125 -11.067 7.720 1.645 1.00 52.31 H new ATOM 0 HG3 LYS A 125 -10.714 6.728 0.244 1.00 52.31 H new ATOM 0 HD2 LYS A 125 -10.769 5.315 2.242 1.00 63.52 H new ATOM 0 HD3 LYS A 125 -9.137 5.350 1.604 1.00 63.52 H new ATOM 0 HE2 LYS A 125 -8.464 7.001 3.311 1.00 25.54 H new ATOM 0 HE3 LYS A 125 -10.108 7.087 3.913 1.00 25.54 H new ATOM 0 HZ1 LYS A 125 -9.149 5.610 5.353 1.00 72.21 H new ATOM 0 HZ2 LYS A 125 -9.811 4.537 4.215 1.00 72.21 H new ATOM 0 HZ3 LYS A 125 -8.153 4.903 4.173 1.00 72.21 H new ATOM 2095 N VAL A 126 -7.264 10.047 -1.029 1.00 44.35 N ATOM 2096 CA VAL A 126 -6.239 11.094 -1.239 1.00 24.52 C ATOM 2097 C VAL A 126 -6.819 12.257 -2.090 1.00 23.02 C ATOM 2098 O VAL A 126 -6.438 13.411 -1.913 1.00 72.43 O ATOM 2099 CB VAL A 126 -4.917 10.510 -1.885 1.00 21.02 C ATOM 2100 CG1 VAL A 126 -5.183 9.822 -3.238 1.00 51.32 C ATOM 2101 CG2 VAL A 126 -3.816 11.595 -2.022 1.00 23.53 C ATOM 0 H VAL A 126 -7.073 9.172 -1.517 1.00 44.35 H new ATOM 0 HA VAL A 126 -5.962 11.488 -0.261 1.00 24.52 H new ATOM 0 HB VAL A 126 -4.551 9.746 -1.199 1.00 21.02 H new ATOM 0 HG11 VAL A 126 -4.246 9.438 -3.641 1.00 51.32 H new ATOM 0 HG12 VAL A 126 -5.882 8.998 -3.096 1.00 51.32 H new ATOM 0 HG13 VAL A 126 -5.609 10.543 -3.935 1.00 51.32 H new ATOM 0 HG21 VAL A 126 -2.925 11.155 -2.469 1.00 23.53 H new ATOM 0 HG22 VAL A 126 -4.179 12.404 -2.657 1.00 23.53 H new ATOM 0 HG23 VAL A 126 -3.570 11.990 -1.036 1.00 23.53 H new ATOM 2111 N LEU A 127 -7.772 11.938 -2.987 1.00 71.13 N ATOM 2112 CA LEU A 127 -8.474 12.948 -3.808 1.00 44.24 C ATOM 2113 C LEU A 127 -9.579 13.658 -3.007 1.00 62.44 C ATOM 2114 O LEU A 127 -9.969 14.776 -3.344 1.00 23.20 O ATOM 2115 CB LEU A 127 -9.092 12.284 -5.058 1.00 21.51 C ATOM 2116 CG LEU A 127 -8.092 11.558 -6.003 1.00 22.53 C ATOM 2117 CD1 LEU A 127 -8.837 10.835 -7.136 1.00 32.52 C ATOM 2118 CD2 LEU A 127 -7.018 12.522 -6.553 1.00 20.33 C ATOM 0 H LEU A 127 -8.076 10.981 -3.163 1.00 71.13 H new ATOM 0 HA LEU A 127 -7.738 13.692 -4.113 1.00 44.24 H new ATOM 0 HB2 LEU A 127 -9.842 11.564 -4.730 1.00 21.51 H new ATOM 0 HB3 LEU A 127 -9.615 13.049 -5.632 1.00 21.51 H new ATOM 0 HG LEU A 127 -7.568 10.806 -5.414 1.00 22.53 H new ATOM 0 HD11 LEU A 127 -8.117 10.335 -7.784 1.00 32.52 H new ATOM 0 HD12 LEU A 127 -9.517 10.097 -6.711 1.00 32.52 H new ATOM 0 HD13 LEU A 127 -9.406 11.560 -7.718 1.00 32.52 H new ATOM 0 HD21 LEU A 127 -6.340 11.975 -7.208 1.00 20.33 H new ATOM 0 HD22 LEU A 127 -7.500 13.321 -7.115 1.00 20.33 H new ATOM 0 HD23 LEU A 127 -6.455 12.950 -5.724 1.00 20.33 H new ATOM 2130 N GLU A 128 -10.090 12.984 -1.960 1.00 61.44 N ATOM 2131 CA GLU A 128 -11.206 13.489 -1.142 1.00 3.44 C ATOM 2132 C GLU A 128 -10.643 14.512 -0.122 1.00 43.01 C ATOM 2133 O GLU A 128 -10.950 15.703 -0.220 1.00 61.41 O ATOM 2134 CB GLU A 128 -11.931 12.278 -0.472 1.00 14.03 C ATOM 2135 CG GLU A 128 -13.327 12.560 0.136 1.00 34.10 C ATOM 2136 CD GLU A 128 -13.311 13.500 1.348 1.00 73.25 C ATOM 2137 OE1 GLU A 128 -13.960 14.574 1.315 1.00 15.53 O ATOM 2138 OE2 GLU A 128 -12.598 13.181 2.326 1.00 43.12 O ATOM 0 H GLU A 128 -9.740 12.075 -1.658 1.00 61.44 H new ATOM 0 HA GLU A 128 -11.951 14.009 -1.745 1.00 3.44 H new ATOM 0 HB2 GLU A 128 -12.036 11.489 -1.216 1.00 14.03 H new ATOM 0 HB3 GLU A 128 -11.287 11.889 0.317 1.00 14.03 H new ATOM 0 HG2 GLU A 128 -13.965 12.991 -0.635 1.00 34.10 H new ATOM 0 HG3 GLU A 128 -13.779 11.613 0.431 1.00 34.10 H new ATOM 2145 N HIS A 129 -9.809 14.021 0.829 1.00 22.41 N ATOM 2146 CA HIS A 129 -9.062 14.839 1.832 1.00 54.41 C ATOM 2147 C HIS A 129 -9.932 15.452 2.969 1.00 32.52 C ATOM 2148 O HIS A 129 -9.449 15.563 4.102 1.00 1.13 O ATOM 2149 CB HIS A 129 -8.188 15.961 1.172 1.00 72.03 C ATOM 2150 CG HIS A 129 -6.812 15.539 0.724 1.00 23.33 C ATOM 2151 ND1 HIS A 129 -6.186 16.064 -0.391 1.00 12.30 N ATOM 2152 CD2 HIS A 129 -5.901 14.720 1.303 1.00 10.24 C ATOM 2153 CE1 HIS A 129 -4.958 15.591 -0.469 1.00 35.34 C ATOM 2154 NE2 HIS A 129 -4.761 14.777 0.546 1.00 25.53 N ATOM 0 H HIS A 129 -9.629 13.022 0.926 1.00 22.41 H new ATOM 0 HA HIS A 129 -8.408 14.106 2.304 1.00 54.41 H new ATOM 0 HB2 HIS A 129 -8.726 16.355 0.310 1.00 72.03 H new ATOM 0 HB3 HIS A 129 -8.083 16.780 1.884 1.00 72.03 H new ATOM 0 HD2 HIS A 129 -6.047 14.131 2.196 1.00 10.24 H new ATOM 0 HE1 HIS A 129 -4.236 15.831 -1.236 1.00 35.34 H new ATOM 0 HE2 HIS A 129 -3.897 14.270 0.738 1.00 25.53 H new ATOM 2163 N HIS A 130 -11.180 15.854 2.693 1.00 13.35 N ATOM 2164 CA HIS A 130 -11.970 16.698 3.623 1.00 2.14 C ATOM 2165 C HIS A 130 -12.707 15.847 4.686 1.00 54.33 C ATOM 2166 O HIS A 130 -12.290 15.804 5.849 1.00 60.44 O ATOM 2167 CB HIS A 130 -12.954 17.596 2.819 1.00 24.53 C ATOM 2168 CG HIS A 130 -12.281 18.667 1.984 1.00 12.54 C ATOM 2169 ND1 HIS A 130 -12.459 20.023 2.195 1.00 2.11 N ATOM 2170 CD2 HIS A 130 -11.444 18.577 0.916 1.00 22.42 C ATOM 2171 CE1 HIS A 130 -11.759 20.702 1.307 1.00 3.55 C ATOM 2172 NE2 HIS A 130 -11.137 19.850 0.521 1.00 73.02 N ATOM 0 H HIS A 130 -11.672 15.612 1.833 1.00 13.35 H new ATOM 0 HA HIS A 130 -11.282 17.344 4.169 1.00 2.14 H new ATOM 0 HB2 HIS A 130 -13.552 16.963 2.163 1.00 24.53 H new ATOM 0 HB3 HIS A 130 -13.643 18.074 3.515 1.00 24.53 H new ATOM 0 HD2 HIS A 130 -11.086 17.665 0.462 1.00 22.42 H new ATOM 0 HE1 HIS A 130 -11.705 21.778 1.237 1.00 3.55 H new ATOM 0 HE2 HIS A 130 -10.525 20.098 -0.257 1.00 73.02 H new ATOM 2181 N HIS A 131 -13.787 15.162 4.275 1.00 42.21 N ATOM 2182 CA HIS A 131 -14.654 14.380 5.181 1.00 50.32 C ATOM 2183 C HIS A 131 -14.436 12.880 4.904 1.00 23.21 C ATOM 2184 O HIS A 131 -15.002 12.322 3.959 1.00 12.33 O ATOM 2185 CB HIS A 131 -16.144 14.773 4.970 1.00 24.53 C ATOM 2186 CG HIS A 131 -16.395 16.255 5.057 1.00 74.40 C ATOM 2187 ND1 HIS A 131 -16.612 17.047 3.947 1.00 61.35 N ATOM 2188 CD2 HIS A 131 -16.474 17.089 6.125 1.00 4.43 C ATOM 2189 CE1 HIS A 131 -16.789 18.295 4.327 1.00 70.12 C ATOM 2190 NE2 HIS A 131 -16.713 18.348 5.641 1.00 63.30 N ATOM 0 H HIS A 131 -14.087 15.133 3.301 1.00 42.21 H new ATOM 0 HA HIS A 131 -14.397 14.594 6.218 1.00 50.32 H new ATOM 0 HB2 HIS A 131 -16.471 14.414 3.994 1.00 24.53 H new ATOM 0 HB3 HIS A 131 -16.754 14.265 5.717 1.00 24.53 H new ATOM 0 HD2 HIS A 131 -16.368 16.812 7.163 1.00 4.43 H new ATOM 0 HE1 HIS A 131 -16.967 19.135 3.671 1.00 70.12 H new ATOM 0 HE2 HIS A 131 -16.816 19.191 6.207 1.00 63.30 H new ATOM 2199 N HIS A 132 -13.581 12.252 5.715 1.00 32.44 N ATOM 2200 CA HIS A 132 -13.126 10.859 5.506 1.00 24.42 C ATOM 2201 C HIS A 132 -14.204 9.856 5.941 1.00 1.54 C ATOM 2202 O HIS A 132 -15.097 10.197 6.724 1.00 72.24 O ATOM 2203 CB HIS A 132 -11.817 10.612 6.296 1.00 41.43 C ATOM 2204 CG HIS A 132 -10.716 11.578 5.951 1.00 75.14 C ATOM 2205 ND1 HIS A 132 -9.807 11.354 4.941 1.00 24.32 N ATOM 2206 CD2 HIS A 132 -10.412 12.797 6.456 1.00 64.12 C ATOM 2207 CE1 HIS A 132 -9.006 12.385 4.839 1.00 44.30 C ATOM 2208 NE2 HIS A 132 -9.350 13.277 5.742 1.00 62.54 N ATOM 0 H HIS A 132 -13.178 12.691 6.543 1.00 32.44 H new ATOM 0 HA HIS A 132 -12.939 10.713 4.442 1.00 24.42 H new ATOM 0 HB2 HIS A 132 -12.028 10.680 7.363 1.00 41.43 H new ATOM 0 HB3 HIS A 132 -11.472 9.596 6.103 1.00 41.43 H new ATOM 0 HD2 HIS A 132 -10.915 13.297 7.271 1.00 64.12 H new ATOM 0 HE1 HIS A 132 -8.197 12.486 4.131 1.00 44.30 H new ATOM 0 HE2 HIS A 132 -8.898 14.180 5.886 1.00 62.54 H new ATOM 2217 N HIS A 133 -14.108 8.615 5.427 1.00 75.11 N ATOM 2218 CA HIS A 133 -15.037 7.531 5.785 1.00 22.24 C ATOM 2219 C HIS A 133 -14.729 7.048 7.212 1.00 11.13 C ATOM 2220 O HIS A 133 -13.710 6.389 7.448 1.00 11.23 O ATOM 2221 CB HIS A 133 -14.960 6.353 4.774 1.00 72.32 C ATOM 2222 CG HIS A 133 -15.275 6.717 3.353 1.00 43.23 C ATOM 2223 ND1 HIS A 133 -14.980 5.889 2.295 1.00 75.54 N ATOM 2224 CD2 HIS A 133 -15.882 7.799 2.816 1.00 21.30 C ATOM 2225 CE1 HIS A 133 -15.377 6.445 1.177 1.00 14.22 C ATOM 2226 NE2 HIS A 133 -15.928 7.602 1.465 1.00 34.40 N ATOM 0 H HIS A 133 -13.390 8.339 4.757 1.00 75.11 H new ATOM 0 HA HIS A 133 -16.055 7.919 5.745 1.00 22.24 H new ATOM 0 HB2 HIS A 133 -13.957 5.927 4.811 1.00 72.32 H new ATOM 0 HB3 HIS A 133 -15.650 5.572 5.095 1.00 72.32 H new ATOM 0 HD1 HIS A 133 -14.522 4.981 2.369 1.00 75.54 H new ATOM 0 HD2 HIS A 133 -16.259 8.657 3.353 1.00 21.30 H new ATOM 0 HE1 HIS A 133 -15.270 6.024 0.188 1.00 14.22 H new ATOM 2235 N HIS A 134 -15.598 7.434 8.160 1.00 72.10 N ATOM 2236 CA HIS A 134 -15.448 7.099 9.587 1.00 25.32 C ATOM 2237 C HIS A 134 -15.782 5.603 9.842 1.00 51.32 C ATOM 2238 O HIS A 134 -14.964 4.896 10.463 1.00 41.03 O ATOM 2239 CB HIS A 134 -16.311 8.051 10.468 1.00 14.23 C ATOM 2240 CG HIS A 134 -17.794 8.025 10.180 1.00 14.24 C ATOM 2241 ND1 HIS A 134 -18.362 8.680 9.106 1.00 41.33 N ATOM 2242 CD2 HIS A 134 -18.824 7.420 10.828 1.00 22.42 C ATOM 2243 CE1 HIS A 134 -19.660 8.472 9.102 1.00 63.22 C ATOM 2244 NE2 HIS A 134 -19.964 7.713 10.133 1.00 5.13 N ATOM 2245 OXT HIS A 134 -16.827 5.122 9.365 1.00 38.12 O ATOM 0 H HIS A 134 -16.429 7.990 7.958 1.00 72.10 H new ATOM 0 HA HIS A 134 -14.407 7.248 9.873 1.00 25.32 H new ATOM 0 HB2 HIS A 134 -16.156 7.791 11.515 1.00 14.23 H new ATOM 0 HB3 HIS A 134 -15.949 9.071 10.335 1.00 14.23 H new ATOM 0 HD2 HIS A 134 -18.755 6.820 11.724 1.00 22.42 H new ATOM 0 HE1 HIS A 134 -20.359 8.859 8.375 1.00 63.22 H new ATOM 0 HE2 HIS A 134 -20.902 7.394 10.375 1.00 5.13 H new TER 2254 HIS A 134