USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1103 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 GLN : amide:sc= 0.807 K(o=1.8,f=-5.5!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 144:sc= 0.969 (180deg=0) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -135:sc= 0.372 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.788 K(o=1.2,f=-0.62) USER MOD Set 3.1: A 27 TYR OH : rot 151:sc= 0.00807 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -144:sc= 0.00836 (180deg=-0.299) USER MOD Set 4.1: A 9 THR OG1 : rot 43:sc= -0.0661 USER MOD Set 4.2: A 11 ASN : amide:sc= -0.791 K(o=-0.86,f=-4.9!) USER MOD Single : A 1 MET CE :methyl 166:sc= -1.28 (180deg=-1.56) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 148:sc= 0.77 (180deg=0.404) USER MOD Single : A 8 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.71) USER MOD Single : A 10 ASN : amide:sc= 0.15 K(o=0.15,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= 0.729 (180deg=-0.144) USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 0.998 (180deg=0.713) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.186 (180deg=0.0486) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 25 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.025) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.049 X(o=0.049,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= -0.794 (180deg=-2.7!) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= 1.52 (180deg=0.221) USER MOD Single : A 42 MET CE :methyl -132:sc= -0.234 (180deg=-2.49!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 0.658 (180deg=0.0227) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0684 K(o=-0.068,f=-4.1!) USER MOD Single : A 58 SER OG : rot -125:sc= 0.23 USER MOD Single : A 61 LYS NZ :NH3+ -103:sc= -0.121 (180deg=-0.749) USER MOD Single : A 67 MET CE :methyl -121:sc= -2.15 (180deg=-2.88!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0628) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -0.007 (180deg=-0.162) USER MOD Single : A 99 SER OG : rot 71:sc= 0.892 USER MOD Single : A 100 GLN : amide:sc= 0.0553 K(o=0.055,f=-0.51) USER MOD Single : A 102 TYR OH : rot -137:sc= 0.655 USER MOD Single : A 106 LYS NZ :NH3+ -140:sc= 0.294 (180deg=-1.49!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -141:sc= -0.274 (180deg=-2.04!) USER MOD Single : A 121 MET CE :methyl -175:sc= -0.464 (180deg=-0.503) USER MOD Single : A 122 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.024) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 71:sc= 0.805 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.307 10.277 12.928 1.00 55.01 N ATOM 2 CA MET A 1 2.790 9.951 11.570 1.00 62.12 C ATOM 3 C MET A 1 3.321 8.511 11.580 1.00 1.12 C ATOM 4 O MET A 1 4.190 8.177 12.390 1.00 13.50 O ATOM 5 CB MET A 1 3.895 10.956 11.121 1.00 40.31 C ATOM 6 CG MET A 1 4.321 10.831 9.644 1.00 12.20 C ATOM 7 SD MET A 1 5.115 9.251 9.256 1.00 44.42 S ATOM 8 CE MET A 1 5.128 9.257 7.468 1.00 41.21 C ATOM 0 H1 MET A 1 1.942 11.251 12.942 1.00 55.01 H new ATOM 0 H2 MET A 1 1.547 9.619 13.193 1.00 55.01 H new ATOM 0 H3 MET A 1 3.091 10.191 13.605 1.00 55.01 H new ATOM 0 HA MET A 1 1.973 10.033 10.854 1.00 62.12 H new ATOM 0 HB2 MET A 1 3.537 11.970 11.297 1.00 40.31 H new ATOM 0 HB3 MET A 1 4.773 10.814 11.751 1.00 40.31 H new ATOM 0 HG2 MET A 1 3.444 10.954 9.009 1.00 12.20 H new ATOM 0 HG3 MET A 1 5.007 11.643 9.401 1.00 12.20 H new ATOM 0 HE1 MET A 1 5.799 8.478 7.106 1.00 41.21 H new ATOM 0 HE2 MET A 1 4.121 9.070 7.096 1.00 41.21 H new ATOM 0 HE3 MET A 1 5.472 10.227 7.110 1.00 41.21 H new ATOM 20 N LYS A 2 2.783 7.657 10.694 1.00 70.41 N ATOM 21 CA LYS A 2 3.211 6.254 10.555 1.00 4.11 C ATOM 22 C LYS A 2 3.507 5.972 9.069 1.00 62.24 C ATOM 23 O LYS A 2 2.870 6.565 8.193 1.00 11.20 O ATOM 24 CB LYS A 2 2.107 5.296 11.105 1.00 1.52 C ATOM 25 CG LYS A 2 1.657 5.605 12.555 1.00 62.12 C ATOM 26 CD LYS A 2 0.700 4.545 13.151 1.00 61.25 C ATOM 27 CE LYS A 2 1.350 3.160 13.268 1.00 23.22 C ATOM 28 NZ LYS A 2 0.527 2.199 14.046 1.00 55.10 N ATOM 0 H LYS A 2 2.036 7.921 10.051 1.00 70.41 H new ATOM 0 HA LYS A 2 4.116 6.079 11.137 1.00 4.11 H new ATOM 0 HB2 LYS A 2 1.238 5.348 10.449 1.00 1.52 H new ATOM 0 HB3 LYS A 2 2.478 4.272 11.063 1.00 1.52 H new ATOM 0 HG2 LYS A 2 2.539 5.683 13.191 1.00 62.12 H new ATOM 0 HG3 LYS A 2 1.164 6.577 12.573 1.00 62.12 H new ATOM 0 HD2 LYS A 2 0.371 4.872 14.137 1.00 61.25 H new ATOM 0 HD3 LYS A 2 -0.190 4.473 12.526 1.00 61.25 H new ATOM 0 HE2 LYS A 2 1.521 2.759 12.269 1.00 23.22 H new ATOM 0 HE3 LYS A 2 2.326 3.261 13.742 1.00 23.22 H new ATOM 0 HZ1 LYS A 2 0.673 1.238 13.676 1.00 55.10 H new ATOM 0 HZ2 LYS A 2 0.809 2.231 15.047 1.00 55.10 H new ATOM 0 HZ3 LYS A 2 -0.478 2.454 13.961 1.00 55.10 H new ATOM 42 N ILE A 3 4.471 5.076 8.793 1.00 71.21 N ATOM 43 CA ILE A 3 4.827 4.689 7.416 1.00 13.34 C ATOM 44 C ILE A 3 3.989 3.461 7.031 1.00 30.14 C ATOM 45 O ILE A 3 4.210 2.361 7.547 1.00 61.22 O ATOM 46 CB ILE A 3 6.365 4.350 7.249 1.00 51.32 C ATOM 47 CG1 ILE A 3 7.254 5.562 7.683 1.00 64.31 C ATOM 48 CG2 ILE A 3 6.683 3.912 5.789 1.00 54.44 C ATOM 49 CD1 ILE A 3 8.753 5.322 7.578 1.00 1.35 C ATOM 0 H ILE A 3 5.021 4.604 9.511 1.00 71.21 H new ATOM 0 HA ILE A 3 4.619 5.537 6.763 1.00 13.34 H new ATOM 0 HB ILE A 3 6.600 3.512 7.906 1.00 51.32 H new ATOM 0 HG12 ILE A 3 6.994 6.424 7.069 1.00 64.31 H new ATOM 0 HG13 ILE A 3 7.013 5.821 8.714 1.00 64.31 H new ATOM 0 HG21 ILE A 3 7.745 3.685 5.701 1.00 54.44 H new ATOM 0 HG22 ILE A 3 6.100 3.025 5.540 1.00 54.44 H new ATOM 0 HG23 ILE A 3 6.426 4.719 5.103 1.00 54.44 H new ATOM 0 HD11 ILE A 3 9.288 6.216 7.899 1.00 1.35 H new ATOM 0 HD12 ILE A 3 9.033 4.483 8.215 1.00 1.35 H new ATOM 0 HD13 ILE A 3 9.014 5.095 6.544 1.00 1.35 H new ATOM 61 N LEU A 4 2.983 3.685 6.184 1.00 12.21 N ATOM 62 CA LEU A 4 2.141 2.623 5.617 1.00 10.20 C ATOM 63 C LEU A 4 2.494 2.455 4.143 1.00 30.14 C ATOM 64 O LEU A 4 2.674 3.445 3.435 1.00 50.14 O ATOM 65 CB LEU A 4 0.627 2.968 5.767 1.00 61.25 C ATOM 66 CG LEU A 4 -0.036 2.690 7.156 1.00 71.20 C ATOM 67 CD1 LEU A 4 0.634 3.465 8.310 1.00 13.42 C ATOM 68 CD2 LEU A 4 -1.545 2.991 7.088 1.00 44.04 C ATOM 0 H LEU A 4 2.725 4.619 5.867 1.00 12.21 H new ATOM 0 HA LEU A 4 2.326 1.694 6.157 1.00 10.20 H new ATOM 0 HB2 LEU A 4 0.497 4.025 5.536 1.00 61.25 H new ATOM 0 HB3 LEU A 4 0.076 2.407 5.012 1.00 61.25 H new ATOM 0 HG LEU A 4 0.111 1.633 7.379 1.00 71.20 H new ATOM 0 HD11 LEU A 4 0.129 3.230 9.247 1.00 13.42 H new ATOM 0 HD12 LEU A 4 1.683 3.177 8.381 1.00 13.42 H new ATOM 0 HD13 LEU A 4 0.564 4.536 8.118 1.00 13.42 H new ATOM 0 HD21 LEU A 4 -1.999 2.795 8.059 1.00 44.04 H new ATOM 0 HD22 LEU A 4 -1.696 4.037 6.822 1.00 44.04 H new ATOM 0 HD23 LEU A 4 -2.009 2.354 6.335 1.00 44.04 H new ATOM 80 N ILE A 5 2.627 1.201 3.700 1.00 54.01 N ATOM 81 CA ILE A 5 2.733 0.857 2.281 1.00 24.13 C ATOM 82 C ILE A 5 1.612 -0.144 1.960 1.00 35.32 C ATOM 83 O ILE A 5 1.619 -1.269 2.460 1.00 62.41 O ATOM 84 CB ILE A 5 4.145 0.255 1.886 1.00 51.14 C ATOM 85 CG1 ILE A 5 5.302 1.234 2.281 1.00 74.13 C ATOM 86 CG2 ILE A 5 4.196 -0.083 0.368 1.00 11.31 C ATOM 87 CD1 ILE A 5 6.699 0.801 1.851 1.00 63.04 C ATOM 0 H ILE A 5 2.664 0.392 4.320 1.00 54.01 H new ATOM 0 HA ILE A 5 2.631 1.770 1.695 1.00 24.13 H new ATOM 0 HB ILE A 5 4.285 -0.671 2.443 1.00 51.14 H new ATOM 0 HG12 ILE A 5 5.093 2.211 1.846 1.00 74.13 H new ATOM 0 HG13 ILE A 5 5.296 1.359 3.364 1.00 74.13 H new ATOM 0 HG21 ILE A 5 5.174 -0.495 0.120 1.00 11.31 H new ATOM 0 HG22 ILE A 5 3.424 -0.815 0.132 1.00 11.31 H new ATOM 0 HG23 ILE A 5 4.026 0.824 -0.213 1.00 11.31 H new ATOM 0 HD11 ILE A 5 7.426 1.547 2.172 1.00 63.04 H new ATOM 0 HD12 ILE A 5 6.939 -0.160 2.307 1.00 63.04 H new ATOM 0 HD13 ILE A 5 6.732 0.706 0.766 1.00 63.04 H new ATOM 99 N LEU A 6 0.628 0.301 1.168 1.00 52.11 N ATOM 100 CA LEU A 6 -0.488 -0.538 0.719 1.00 53.14 C ATOM 101 C LEU A 6 -0.112 -1.217 -0.595 1.00 73.23 C ATOM 102 O LEU A 6 0.360 -0.562 -1.526 1.00 4.04 O ATOM 103 CB LEU A 6 -1.766 0.314 0.512 1.00 13.00 C ATOM 104 CG LEU A 6 -2.339 1.013 1.770 1.00 35.12 C ATOM 105 CD1 LEU A 6 -3.612 1.815 1.432 1.00 74.44 C ATOM 106 CD2 LEU A 6 -2.602 0.010 2.900 1.00 14.44 C ATOM 0 H LEU A 6 0.585 1.259 0.819 1.00 52.11 H new ATOM 0 HA LEU A 6 -0.691 -1.289 1.483 1.00 53.14 H new ATOM 0 HB2 LEU A 6 -1.550 1.078 -0.235 1.00 13.00 H new ATOM 0 HB3 LEU A 6 -2.541 -0.329 0.095 1.00 13.00 H new ATOM 0 HG LEU A 6 -1.585 1.716 2.124 1.00 35.12 H new ATOM 0 HD11 LEU A 6 -3.991 2.294 2.335 1.00 74.44 H new ATOM 0 HD12 LEU A 6 -3.376 2.577 0.689 1.00 74.44 H new ATOM 0 HD13 LEU A 6 -4.371 1.142 1.033 1.00 74.44 H new ATOM 0 HD21 LEU A 6 -3.003 0.535 3.767 1.00 14.44 H new ATOM 0 HD22 LEU A 6 -3.321 -0.737 2.563 1.00 14.44 H new ATOM 0 HD23 LEU A 6 -1.669 -0.482 3.174 1.00 14.44 H new ATOM 118 N ILE A 7 -0.303 -2.537 -0.650 1.00 24.53 N ATOM 119 CA ILE A 7 -0.115 -3.330 -1.872 1.00 41.31 C ATOM 120 C ILE A 7 -1.455 -3.966 -2.253 1.00 1.03 C ATOM 121 O ILE A 7 -2.021 -4.735 -1.467 1.00 32.32 O ATOM 122 CB ILE A 7 0.987 -4.445 -1.689 1.00 51.43 C ATOM 123 CG1 ILE A 7 2.353 -3.818 -1.263 1.00 63.34 C ATOM 124 CG2 ILE A 7 1.148 -5.301 -2.972 1.00 2.35 C ATOM 125 CD1 ILE A 7 2.946 -2.807 -2.238 1.00 43.55 C ATOM 0 H ILE A 7 -0.594 -3.091 0.155 1.00 24.53 H new ATOM 0 HA ILE A 7 0.231 -2.669 -2.666 1.00 41.31 H new ATOM 0 HB ILE A 7 0.653 -5.107 -0.890 1.00 51.43 H new ATOM 0 HG12 ILE A 7 2.223 -3.331 -0.297 1.00 63.34 H new ATOM 0 HG13 ILE A 7 3.073 -4.623 -1.120 1.00 63.34 H new ATOM 0 HG21 ILE A 7 1.915 -6.059 -2.810 1.00 2.35 H new ATOM 0 HG22 ILE A 7 0.201 -5.787 -3.206 1.00 2.35 H new ATOM 0 HG23 ILE A 7 1.441 -4.660 -3.803 1.00 2.35 H new ATOM 0 HD11 ILE A 7 3.892 -2.435 -1.845 1.00 43.55 H new ATOM 0 HD12 ILE A 7 3.117 -3.288 -3.201 1.00 43.55 H new ATOM 0 HD13 ILE A 7 2.254 -1.975 -2.365 1.00 43.55 H new ATOM 137 N ASN A 8 -1.966 -3.601 -3.439 1.00 4.11 N ATOM 138 CA ASN A 8 -3.148 -4.225 -4.038 1.00 22.42 C ATOM 139 C ASN A 8 -2.818 -4.611 -5.480 1.00 32.24 C ATOM 140 O ASN A 8 -2.769 -3.759 -6.373 1.00 42.01 O ATOM 141 CB ASN A 8 -4.363 -3.273 -3.980 1.00 34.03 C ATOM 142 CG ASN A 8 -5.626 -3.878 -4.598 1.00 35.24 C ATOM 143 OD1 ASN A 8 -6.356 -4.602 -3.937 1.00 51.45 O ATOM 144 ND2 ASN A 8 -5.892 -3.581 -5.865 1.00 32.32 N ATOM 0 H ASN A 8 -1.565 -2.858 -4.011 1.00 4.11 H new ATOM 0 HA ASN A 8 -3.416 -5.119 -3.476 1.00 22.42 H new ATOM 0 HB2 ASN A 8 -4.563 -3.011 -2.941 1.00 34.03 H new ATOM 0 HB3 ASN A 8 -4.118 -2.347 -4.501 1.00 34.03 H new ATOM 0 HD21 ASN A 8 -6.726 -3.960 -6.314 1.00 32.32 H new ATOM 0 HD22 ASN A 8 -5.262 -2.974 -6.389 1.00 32.32 H new ATOM 151 N THR A 9 -2.567 -5.899 -5.684 1.00 33.23 N ATOM 152 CA THR A 9 -2.224 -6.471 -6.987 1.00 33.33 C ATOM 153 C THR A 9 -3.110 -7.690 -7.276 1.00 61.24 C ATOM 154 O THR A 9 -3.549 -8.380 -6.345 1.00 22.33 O ATOM 155 CB THR A 9 -0.707 -6.841 -7.078 1.00 10.24 C ATOM 156 OG1 THR A 9 -0.431 -7.480 -8.331 1.00 40.43 O ATOM 157 CG2 THR A 9 -0.249 -7.738 -5.934 1.00 23.31 C ATOM 0 H THR A 9 -2.596 -6.591 -4.935 1.00 33.23 H new ATOM 0 HA THR A 9 -2.411 -5.714 -7.748 1.00 33.33 H new ATOM 0 HB THR A 9 -0.149 -5.908 -7.001 1.00 10.24 H new ATOM 0 HG1 THR A 9 -0.902 -7.008 -9.050 1.00 40.43 H new ATOM 0 HG21 THR A 9 0.811 -7.962 -6.049 1.00 23.31 H new ATOM 0 HG22 THR A 9 -0.411 -7.228 -4.984 1.00 23.31 H new ATOM 0 HG23 THR A 9 -0.820 -8.667 -5.949 1.00 23.31 H new ATOM 165 N ASN A 10 -3.414 -7.904 -8.570 1.00 4.21 N ATOM 166 CA ASN A 10 -4.193 -9.062 -9.044 1.00 10.12 C ATOM 167 C ASN A 10 -3.441 -10.370 -8.718 1.00 32.31 C ATOM 168 O ASN A 10 -4.017 -11.301 -8.145 1.00 10.41 O ATOM 169 CB ASN A 10 -4.459 -8.933 -10.574 1.00 72.23 C ATOM 170 CG ASN A 10 -5.460 -9.959 -11.158 1.00 71.54 C ATOM 171 OD1 ASN A 10 -5.588 -11.093 -10.691 1.00 73.21 O ATOM 172 ND2 ASN A 10 -6.176 -9.569 -12.208 1.00 34.14 N ATOM 0 H ASN A 10 -3.124 -7.275 -9.319 1.00 4.21 H new ATOM 0 HA ASN A 10 -5.155 -9.086 -8.533 1.00 10.12 H new ATOM 0 HB2 ASN A 10 -4.832 -7.929 -10.778 1.00 72.23 H new ATOM 0 HB3 ASN A 10 -3.510 -9.034 -11.101 1.00 72.23 H new ATOM 0 HD21 ASN A 10 -6.842 -10.211 -12.638 1.00 34.14 H new ATOM 0 HD22 ASN A 10 -6.060 -8.628 -12.584 1.00 34.14 H new ATOM 179 N ASN A 11 -2.140 -10.421 -9.066 1.00 13.50 N ATOM 180 CA ASN A 11 -1.304 -11.613 -8.819 1.00 71.21 C ATOM 181 C ASN A 11 -0.703 -11.561 -7.392 1.00 40.03 C ATOM 182 O ASN A 11 0.069 -10.657 -7.056 1.00 1.11 O ATOM 183 CB ASN A 11 -0.196 -11.788 -9.902 1.00 0.30 C ATOM 184 CG ASN A 11 0.812 -10.637 -9.995 1.00 30.43 C ATOM 185 OD1 ASN A 11 0.459 -9.468 -9.909 1.00 62.42 O ATOM 186 ND2 ASN A 11 2.079 -10.964 -10.127 1.00 11.14 N ATOM 0 H ASN A 11 -1.646 -9.652 -9.518 1.00 13.50 H new ATOM 0 HA ASN A 11 -1.946 -12.491 -8.890 1.00 71.21 H new ATOM 0 HB2 ASN A 11 0.348 -12.710 -9.697 1.00 0.30 H new ATOM 0 HB3 ASN A 11 -0.675 -11.909 -10.873 1.00 0.30 H new ATOM 0 HD21 ASN A 11 2.793 -10.236 -10.160 1.00 11.14 H new ATOM 0 HD22 ASN A 11 2.348 -11.945 -10.197 1.00 11.14 H new ATOM 193 N ASP A 12 -1.083 -12.548 -6.560 1.00 25.45 N ATOM 194 CA ASP A 12 -0.671 -12.644 -5.140 1.00 62.32 C ATOM 195 C ASP A 12 0.834 -12.966 -4.993 1.00 24.22 C ATOM 196 O ASP A 12 1.467 -12.582 -3.996 1.00 20.24 O ATOM 197 CB ASP A 12 -1.530 -13.722 -4.430 1.00 50.12 C ATOM 198 CG ASP A 12 -1.215 -13.848 -2.930 1.00 0.43 C ATOM 199 OD1 ASP A 12 -1.511 -12.901 -2.183 1.00 50.10 O ATOM 200 OD2 ASP A 12 -0.648 -14.876 -2.494 1.00 62.25 O ATOM 0 H ASP A 12 -1.692 -13.312 -6.854 1.00 25.45 H new ATOM 0 HA ASP A 12 -0.835 -11.674 -4.671 1.00 62.32 H new ATOM 0 HB2 ASP A 12 -2.585 -13.479 -4.555 1.00 50.12 H new ATOM 0 HB3 ASP A 12 -1.366 -14.686 -4.912 1.00 50.12 H new ATOM 205 N GLU A 13 1.398 -13.648 -6.012 1.00 25.45 N ATOM 206 CA GLU A 13 2.826 -14.029 -6.053 1.00 24.21 C ATOM 207 C GLU A 13 3.754 -12.800 -5.987 1.00 2.45 C ATOM 208 O GLU A 13 4.875 -12.886 -5.480 1.00 60.23 O ATOM 209 CB GLU A 13 3.135 -14.851 -7.326 1.00 40.21 C ATOM 210 CG GLU A 13 2.464 -16.237 -7.386 1.00 55.04 C ATOM 211 CD GLU A 13 2.810 -16.988 -8.682 1.00 32.04 C ATOM 212 OE1 GLU A 13 3.925 -17.541 -8.780 1.00 75.41 O ATOM 213 OE2 GLU A 13 1.994 -16.988 -9.622 1.00 22.33 O ATOM 0 H GLU A 13 0.874 -13.951 -6.833 1.00 25.45 H new ATOM 0 HA GLU A 13 3.018 -14.642 -5.172 1.00 24.21 H new ATOM 0 HB2 GLU A 13 2.822 -14.275 -8.197 1.00 40.21 H new ATOM 0 HB3 GLU A 13 4.214 -14.983 -7.402 1.00 40.21 H new ATOM 0 HG2 GLU A 13 2.780 -16.830 -6.528 1.00 55.04 H new ATOM 0 HG3 GLU A 13 1.383 -16.120 -7.312 1.00 55.04 H new ATOM 220 N LEU A 14 3.270 -11.661 -6.510 1.00 31.43 N ATOM 221 CA LEU A 14 4.012 -10.397 -6.478 1.00 71.15 C ATOM 222 C LEU A 14 4.191 -9.889 -5.035 1.00 11.02 C ATOM 223 O LEU A 14 5.276 -9.418 -4.680 1.00 1.54 O ATOM 224 CB LEU A 14 3.305 -9.333 -7.341 1.00 13.22 C ATOM 225 CG LEU A 14 3.935 -7.904 -7.322 1.00 12.44 C ATOM 226 CD1 LEU A 14 5.453 -7.910 -7.634 1.00 34.02 C ATOM 227 CD2 LEU A 14 3.177 -6.975 -8.273 1.00 55.42 C ATOM 0 H LEU A 14 2.359 -11.594 -6.963 1.00 31.43 H new ATOM 0 HA LEU A 14 5.003 -10.581 -6.893 1.00 71.15 H new ATOM 0 HB2 LEU A 14 3.285 -9.686 -8.372 1.00 13.22 H new ATOM 0 HB3 LEU A 14 2.269 -9.256 -7.010 1.00 13.22 H new ATOM 0 HG LEU A 14 3.837 -7.524 -6.305 1.00 12.44 H new ATOM 0 HD11 LEU A 14 5.834 -6.889 -7.606 1.00 34.02 H new ATOM 0 HD12 LEU A 14 5.975 -8.513 -6.891 1.00 34.02 H new ATOM 0 HD13 LEU A 14 5.619 -8.333 -8.625 1.00 34.02 H new ATOM 0 HD21 LEU A 14 3.628 -5.983 -8.249 1.00 55.42 H new ATOM 0 HD22 LEU A 14 3.228 -7.372 -9.287 1.00 55.42 H new ATOM 0 HD23 LEU A 14 2.135 -6.908 -7.962 1.00 55.42 H new ATOM 239 N ILE A 15 3.129 -10.011 -4.208 1.00 41.21 N ATOM 240 CA ILE A 15 3.152 -9.527 -2.811 1.00 74.33 C ATOM 241 C ILE A 15 4.249 -10.257 -2.014 1.00 70.44 C ATOM 242 O ILE A 15 4.931 -9.648 -1.210 1.00 73.41 O ATOM 243 CB ILE A 15 1.773 -9.705 -2.068 1.00 43.13 C ATOM 244 CG1 ILE A 15 0.596 -9.154 -2.929 1.00 25.41 C ATOM 245 CG2 ILE A 15 1.823 -9.001 -0.687 1.00 0.11 C ATOM 246 CD1 ILE A 15 -0.799 -9.338 -2.346 1.00 73.14 C ATOM 0 H ILE A 15 2.246 -10.440 -4.484 1.00 41.21 H new ATOM 0 HA ILE A 15 3.360 -8.458 -2.862 1.00 74.33 H new ATOM 0 HB ILE A 15 1.597 -10.770 -1.914 1.00 43.13 H new ATOM 0 HG12 ILE A 15 0.761 -8.090 -3.096 1.00 25.41 H new ATOM 0 HG13 ILE A 15 0.628 -9.639 -3.905 1.00 25.41 H new ATOM 0 HG21 ILE A 15 0.867 -9.128 -0.179 1.00 0.11 H new ATOM 0 HG22 ILE A 15 2.616 -9.441 -0.083 1.00 0.11 H new ATOM 0 HG23 ILE A 15 2.021 -7.938 -0.827 1.00 0.11 H new ATOM 0 HD11 ILE A 15 -1.537 -8.918 -3.029 1.00 73.14 H new ATOM 0 HD12 ILE A 15 -0.998 -10.401 -2.206 1.00 73.14 H new ATOM 0 HD13 ILE A 15 -0.862 -8.828 -1.385 1.00 73.14 H new ATOM 258 N LYS A 16 4.422 -11.562 -2.309 1.00 15.10 N ATOM 259 CA LYS A 16 5.444 -12.428 -1.672 1.00 21.32 C ATOM 260 C LYS A 16 6.863 -11.846 -1.856 1.00 14.50 C ATOM 261 O LYS A 16 7.691 -11.882 -0.936 1.00 11.43 O ATOM 262 CB LYS A 16 5.378 -13.857 -2.278 1.00 2.52 C ATOM 263 CG LYS A 16 3.963 -14.463 -2.313 1.00 40.22 C ATOM 264 CD LYS A 16 3.930 -15.902 -2.865 1.00 25.03 C ATOM 265 CE LYS A 16 2.496 -16.434 -3.017 1.00 33.43 C ATOM 266 NZ LYS A 16 1.713 -16.335 -1.755 1.00 54.24 N ATOM 0 H LYS A 16 3.854 -12.051 -3.001 1.00 15.10 H new ATOM 0 HA LYS A 16 5.231 -12.474 -0.604 1.00 21.32 H new ATOM 0 HB2 LYS A 16 5.774 -13.828 -3.293 1.00 2.52 H new ATOM 0 HB3 LYS A 16 6.029 -14.514 -1.701 1.00 2.52 H new ATOM 0 HG2 LYS A 16 3.548 -14.458 -1.305 1.00 40.22 H new ATOM 0 HG3 LYS A 16 3.320 -13.831 -2.926 1.00 40.22 H new ATOM 0 HD2 LYS A 16 4.430 -15.929 -3.833 1.00 25.03 H new ATOM 0 HD3 LYS A 16 4.490 -16.558 -2.198 1.00 25.03 H new ATOM 0 HE2 LYS A 16 1.986 -15.875 -3.802 1.00 33.43 H new ATOM 0 HE3 LYS A 16 2.531 -17.475 -3.338 1.00 33.43 H new ATOM 0 HZ1 LYS A 16 1.265 -17.251 -1.552 1.00 54.24 H new ATOM 0 HZ2 LYS A 16 2.348 -16.079 -0.972 1.00 54.24 H new ATOM 0 HZ3 LYS A 16 0.979 -15.606 -1.858 1.00 54.24 H new ATOM 280 N LYS A 17 7.106 -11.298 -3.066 1.00 2.52 N ATOM 281 CA LYS A 17 8.377 -10.648 -3.428 1.00 43.05 C ATOM 282 C LYS A 17 8.538 -9.322 -2.646 1.00 43.12 C ATOM 283 O LYS A 17 9.585 -9.066 -2.043 1.00 71.34 O ATOM 284 CB LYS A 17 8.423 -10.349 -4.955 1.00 10.53 C ATOM 285 CG LYS A 17 8.095 -11.532 -5.889 1.00 74.15 C ATOM 286 CD LYS A 17 8.201 -11.127 -7.382 1.00 44.51 C ATOM 287 CE LYS A 17 7.814 -12.254 -8.349 1.00 44.25 C ATOM 288 NZ LYS A 17 6.376 -12.616 -8.246 1.00 74.12 N ATOM 0 H LYS A 17 6.420 -11.296 -3.821 1.00 2.52 H new ATOM 0 HA LYS A 17 9.191 -11.326 -3.171 1.00 43.05 H new ATOM 0 HB2 LYS A 17 7.724 -9.540 -5.167 1.00 10.53 H new ATOM 0 HB3 LYS A 17 9.419 -9.982 -5.203 1.00 10.53 H new ATOM 0 HG2 LYS A 17 8.778 -12.357 -5.686 1.00 74.15 H new ATOM 0 HG3 LYS A 17 7.088 -11.893 -5.680 1.00 74.15 H new ATOM 0 HD2 LYS A 17 7.558 -10.266 -7.564 1.00 44.51 H new ATOM 0 HD3 LYS A 17 9.223 -10.812 -7.594 1.00 44.51 H new ATOM 0 HE2 LYS A 17 8.037 -11.946 -9.371 1.00 44.25 H new ATOM 0 HE3 LYS A 17 8.424 -13.133 -8.141 1.00 44.25 H new ATOM 0 HZ1 LYS A 17 6.228 -13.567 -8.640 1.00 74.12 H new ATOM 0 HZ2 LYS A 17 6.086 -12.606 -7.247 1.00 74.12 H new ATOM 0 HZ3 LYS A 17 5.806 -11.928 -8.778 1.00 74.12 H new ATOM 302 N ILE A 18 7.451 -8.514 -2.660 1.00 23.34 N ATOM 303 CA ILE A 18 7.398 -7.168 -2.044 1.00 41.43 C ATOM 304 C ILE A 18 7.581 -7.252 -0.513 1.00 21.53 C ATOM 305 O ILE A 18 8.218 -6.383 0.094 1.00 3.52 O ATOM 306 CB ILE A 18 6.029 -6.446 -2.385 1.00 42.44 C ATOM 307 CG1 ILE A 18 5.883 -6.247 -3.932 1.00 55.51 C ATOM 308 CG2 ILE A 18 5.892 -5.098 -1.629 1.00 43.20 C ATOM 309 CD1 ILE A 18 4.591 -5.596 -4.388 1.00 32.31 C ATOM 0 H ILE A 18 6.574 -8.784 -3.106 1.00 23.34 H new ATOM 0 HA ILE A 18 8.217 -6.582 -2.460 1.00 41.43 H new ATOM 0 HB ILE A 18 5.217 -7.089 -2.046 1.00 42.44 H new ATOM 0 HG12 ILE A 18 6.718 -5.641 -4.283 1.00 55.51 H new ATOM 0 HG13 ILE A 18 5.970 -7.220 -4.416 1.00 55.51 H new ATOM 0 HG21 ILE A 18 4.941 -4.631 -1.887 1.00 43.20 H new ATOM 0 HG22 ILE A 18 5.928 -5.278 -0.555 1.00 43.20 H new ATOM 0 HG23 ILE A 18 6.710 -4.436 -1.914 1.00 43.20 H new ATOM 0 HD11 ILE A 18 4.593 -5.506 -5.474 1.00 32.31 H new ATOM 0 HD12 ILE A 18 3.745 -6.209 -4.076 1.00 32.31 H new ATOM 0 HD13 ILE A 18 4.506 -4.605 -3.942 1.00 32.31 H new ATOM 321 N LYS A 19 7.033 -8.332 0.080 1.00 72.13 N ATOM 322 CA LYS A 19 7.109 -8.591 1.522 1.00 50.32 C ATOM 323 C LYS A 19 8.564 -8.751 1.948 1.00 25.30 C ATOM 324 O LYS A 19 9.045 -7.997 2.776 1.00 10.54 O ATOM 325 CB LYS A 19 6.292 -9.854 1.912 1.00 55.40 C ATOM 326 CG LYS A 19 4.765 -9.648 1.919 1.00 71.32 C ATOM 327 CD LYS A 19 3.995 -10.947 2.233 1.00 12.02 C ATOM 328 CE LYS A 19 4.437 -11.604 3.556 1.00 54.31 C ATOM 329 NZ LYS A 19 3.675 -12.845 3.846 1.00 33.11 N ATOM 0 H LYS A 19 6.524 -9.050 -0.436 1.00 72.13 H new ATOM 0 HA LYS A 19 6.675 -7.738 2.043 1.00 50.32 H new ATOM 0 HB2 LYS A 19 6.535 -10.658 1.217 1.00 55.40 H new ATOM 0 HB3 LYS A 19 6.606 -10.184 2.902 1.00 55.40 H new ATOM 0 HG2 LYS A 19 4.507 -8.889 2.658 1.00 71.32 H new ATOM 0 HG3 LYS A 19 4.449 -9.268 0.948 1.00 71.32 H new ATOM 0 HD2 LYS A 19 2.928 -10.728 2.281 1.00 12.02 H new ATOM 0 HD3 LYS A 19 4.139 -11.655 1.416 1.00 12.02 H new ATOM 0 HE2 LYS A 19 5.501 -11.836 3.507 1.00 54.31 H new ATOM 0 HE3 LYS A 19 4.302 -10.897 4.374 1.00 54.31 H new ATOM 0 HZ1 LYS A 19 4.005 -13.253 4.744 1.00 33.11 H new ATOM 0 HZ2 LYS A 19 2.662 -12.621 3.919 1.00 33.11 H new ATOM 0 HZ3 LYS A 19 3.824 -13.531 3.079 1.00 33.11 H new ATOM 343 N LYS A 20 9.268 -9.701 1.315 1.00 11.44 N ATOM 344 CA LYS A 20 10.665 -10.016 1.667 1.00 1.41 C ATOM 345 C LYS A 20 11.617 -8.866 1.287 1.00 44.14 C ATOM 346 O LYS A 20 12.686 -8.723 1.882 1.00 43.41 O ATOM 347 CB LYS A 20 11.084 -11.364 1.018 1.00 54.41 C ATOM 348 CG LYS A 20 10.184 -12.549 1.443 1.00 22.20 C ATOM 349 CD LYS A 20 10.086 -12.705 2.983 1.00 50.34 C ATOM 350 CE LYS A 20 9.022 -13.717 3.426 1.00 44.33 C ATOM 351 NZ LYS A 20 8.815 -13.653 4.896 1.00 13.30 N ATOM 0 H LYS A 20 8.893 -10.267 0.554 1.00 11.44 H new ATOM 0 HA LYS A 20 10.736 -10.127 2.749 1.00 1.41 H new ATOM 0 HB2 LYS A 20 11.053 -11.263 -0.067 1.00 54.41 H new ATOM 0 HB3 LYS A 20 12.117 -11.585 1.288 1.00 54.41 H new ATOM 0 HG2 LYS A 20 9.185 -12.406 1.032 1.00 22.20 H new ATOM 0 HG3 LYS A 20 10.577 -13.470 1.013 1.00 22.20 H new ATOM 0 HD2 LYS A 20 11.056 -13.015 3.372 1.00 50.34 H new ATOM 0 HD3 LYS A 20 9.861 -11.735 3.425 1.00 50.34 H new ATOM 0 HE2 LYS A 20 8.083 -13.513 2.912 1.00 44.33 H new ATOM 0 HE3 LYS A 20 9.329 -14.723 3.141 1.00 44.33 H new ATOM 0 HZ1 LYS A 20 8.280 -14.489 5.208 1.00 13.30 H new ATOM 0 HZ2 LYS A 20 9.737 -13.633 5.376 1.00 13.30 H new ATOM 0 HZ3 LYS A 20 8.282 -12.792 5.134 1.00 13.30 H new ATOM 365 N GLU A 21 11.195 -8.052 0.306 1.00 63.51 N ATOM 366 CA GLU A 21 11.889 -6.819 -0.098 1.00 42.51 C ATOM 367 C GLU A 21 11.929 -5.814 1.074 1.00 12.41 C ATOM 368 O GLU A 21 12.994 -5.300 1.442 1.00 1.01 O ATOM 369 CB GLU A 21 11.149 -6.197 -1.319 1.00 53.41 C ATOM 370 CG GLU A 21 11.828 -4.965 -1.949 1.00 13.33 C ATOM 371 CD GLU A 21 13.204 -5.284 -2.545 1.00 31.21 C ATOM 372 OE1 GLU A 21 13.280 -6.099 -3.485 1.00 74.11 O ATOM 373 OE2 GLU A 21 14.223 -4.735 -2.081 1.00 2.34 O ATOM 0 H GLU A 21 10.351 -8.235 -0.236 1.00 63.51 H new ATOM 0 HA GLU A 21 12.916 -7.056 -0.376 1.00 42.51 H new ATOM 0 HB2 GLU A 21 11.043 -6.964 -2.086 1.00 53.41 H new ATOM 0 HB3 GLU A 21 10.143 -5.916 -1.008 1.00 53.41 H new ATOM 0 HG2 GLU A 21 11.184 -4.561 -2.730 1.00 13.33 H new ATOM 0 HG3 GLU A 21 11.936 -4.189 -1.192 1.00 13.33 H new ATOM 380 N VAL A 22 10.749 -5.567 1.672 1.00 45.24 N ATOM 381 CA VAL A 22 10.587 -4.565 2.740 1.00 23.32 C ATOM 382 C VAL A 22 10.947 -5.127 4.139 1.00 71.23 C ATOM 383 O VAL A 22 11.336 -4.365 5.033 1.00 64.33 O ATOM 384 CB VAL A 22 9.133 -3.960 2.746 1.00 63.51 C ATOM 385 CG1 VAL A 22 8.798 -3.277 1.404 1.00 41.44 C ATOM 386 CG2 VAL A 22 8.068 -5.014 3.119 1.00 22.33 C ATOM 0 H VAL A 22 9.886 -6.054 1.430 1.00 45.24 H new ATOM 0 HA VAL A 22 11.293 -3.765 2.519 1.00 23.32 H new ATOM 0 HB VAL A 22 9.113 -3.194 3.522 1.00 63.51 H new ATOM 0 HG11 VAL A 22 7.787 -2.871 1.445 1.00 41.44 H new ATOM 0 HG12 VAL A 22 9.506 -2.469 1.220 1.00 41.44 H new ATOM 0 HG13 VAL A 22 8.864 -4.007 0.598 1.00 41.44 H new ATOM 0 HG21 VAL A 22 7.081 -4.552 3.111 1.00 22.33 H new ATOM 0 HG22 VAL A 22 8.094 -5.829 2.396 1.00 22.33 H new ATOM 0 HG23 VAL A 22 8.277 -5.406 4.114 1.00 22.33 H new ATOM 396 N GLU A 23 10.826 -6.462 4.315 1.00 1.30 N ATOM 397 CA GLU A 23 11.141 -7.152 5.593 1.00 42.41 C ATOM 398 C GLU A 23 12.652 -7.106 5.891 1.00 1.11 C ATOM 399 O GLU A 23 13.046 -7.140 7.061 1.00 31.44 O ATOM 400 CB GLU A 23 10.631 -8.626 5.591 1.00 54.13 C ATOM 401 CG GLU A 23 9.111 -8.788 5.790 1.00 20.41 C ATOM 402 CD GLU A 23 8.655 -10.255 5.762 1.00 41.15 C ATOM 403 OE1 GLU A 23 8.949 -10.998 6.722 1.00 14.41 O ATOM 404 OE2 GLU A 23 7.996 -10.681 4.787 1.00 40.40 O ATOM 0 H GLU A 23 10.508 -7.093 3.579 1.00 1.30 H new ATOM 0 HA GLU A 23 10.617 -6.617 6.385 1.00 42.41 H new ATOM 0 HB2 GLU A 23 10.910 -9.090 4.645 1.00 54.13 H new ATOM 0 HB3 GLU A 23 11.146 -9.174 6.380 1.00 54.13 H new ATOM 0 HG2 GLU A 23 8.825 -8.343 6.743 1.00 20.41 H new ATOM 0 HG3 GLU A 23 8.587 -8.235 5.010 1.00 20.41 H new ATOM 411 N ASN A 24 13.480 -7.035 4.822 1.00 45.43 N ATOM 412 CA ASN A 24 14.939 -6.789 4.938 1.00 0.43 C ATOM 413 C ASN A 24 15.195 -5.505 5.748 1.00 12.54 C ATOM 414 O ASN A 24 16.076 -5.454 6.605 1.00 71.41 O ATOM 415 CB ASN A 24 15.604 -6.645 3.532 1.00 22.31 C ATOM 416 CG ASN A 24 15.569 -7.918 2.677 1.00 12.34 C ATOM 417 OD1 ASN A 24 15.567 -9.041 3.186 1.00 14.32 O ATOM 418 ND2 ASN A 24 15.550 -7.747 1.363 1.00 21.21 N ATOM 0 H ASN A 24 13.159 -7.146 3.860 1.00 45.43 H new ATOM 0 HA ASN A 24 15.380 -7.646 5.448 1.00 0.43 H new ATOM 0 HB2 ASN A 24 15.104 -5.844 2.988 1.00 22.31 H new ATOM 0 HB3 ASN A 24 16.642 -6.340 3.665 1.00 22.31 H new ATOM 0 HD21 ASN A 24 15.533 -8.557 0.743 1.00 21.21 H new ATOM 0 HD22 ASN A 24 15.552 -6.805 0.971 1.00 21.21 H new ATOM 425 N GLN A 25 14.354 -4.492 5.479 1.00 63.12 N ATOM 426 CA GLN A 25 14.477 -3.144 6.048 1.00 51.11 C ATOM 427 C GLN A 25 13.557 -2.927 7.275 1.00 42.04 C ATOM 428 O GLN A 25 13.389 -1.785 7.733 1.00 75.55 O ATOM 429 CB GLN A 25 14.182 -2.116 4.928 1.00 73.24 C ATOM 430 CG GLN A 25 15.184 -2.152 3.749 1.00 64.33 C ATOM 431 CD GLN A 25 16.639 -1.871 4.144 1.00 3.04 C ATOM 432 OE1 GLN A 25 17.571 -2.400 3.540 1.00 71.21 O ATOM 433 NE2 GLN A 25 16.856 -1.009 5.128 1.00 20.55 N ATOM 0 H GLN A 25 13.558 -4.591 4.850 1.00 63.12 H new ATOM 0 HA GLN A 25 15.493 -3.011 6.421 1.00 51.11 H new ATOM 0 HB2 GLN A 25 13.178 -2.295 4.542 1.00 73.24 H new ATOM 0 HB3 GLN A 25 14.183 -1.115 5.360 1.00 73.24 H new ATOM 0 HG2 GLN A 25 15.132 -3.132 3.274 1.00 64.33 H new ATOM 0 HG3 GLN A 25 14.875 -1.420 3.003 1.00 64.33 H new ATOM 0 HE21 GLN A 25 16.068 -0.582 5.615 1.00 20.55 H new ATOM 0 HE22 GLN A 25 17.811 -0.773 5.398 1.00 20.55 H new ATOM 442 N GLY A 26 12.974 -4.024 7.794 1.00 73.44 N ATOM 443 CA GLY A 26 12.234 -4.002 9.060 1.00 21.43 C ATOM 444 C GLY A 26 10.826 -3.427 8.952 1.00 2.52 C ATOM 445 O GLY A 26 10.379 -2.701 9.846 1.00 53.52 O ATOM 0 H GLY A 26 13.005 -4.941 7.348 1.00 73.44 H new ATOM 0 HA2 GLY A 26 12.170 -5.019 9.448 1.00 21.43 H new ATOM 0 HA3 GLY A 26 12.798 -3.418 9.787 1.00 21.43 H new ATOM 449 N TYR A 27 10.136 -3.721 7.839 1.00 2.35 N ATOM 450 CA TYR A 27 8.708 -3.381 7.669 1.00 41.53 C ATOM 451 C TYR A 27 7.831 -4.532 8.180 1.00 55.40 C ATOM 452 O TYR A 27 7.937 -5.664 7.692 1.00 13.34 O ATOM 453 CB TYR A 27 8.372 -3.072 6.189 1.00 73.10 C ATOM 454 CG TYR A 27 8.820 -1.687 5.705 1.00 73.12 C ATOM 455 CD1 TYR A 27 10.174 -1.381 5.525 1.00 13.01 C ATOM 456 CD2 TYR A 27 7.886 -0.682 5.437 1.00 14.01 C ATOM 457 CE1 TYR A 27 10.575 -0.128 5.106 1.00 44.22 C ATOM 458 CE2 TYR A 27 8.286 0.568 5.016 1.00 33.23 C ATOM 459 CZ TYR A 27 9.626 0.841 4.854 1.00 51.14 C ATOM 460 OH TYR A 27 10.018 2.095 4.453 1.00 73.31 O ATOM 0 H TYR A 27 10.545 -4.197 7.035 1.00 2.35 H new ATOM 0 HA TYR A 27 8.503 -2.483 8.253 1.00 41.53 H new ATOM 0 HB2 TYR A 27 8.838 -3.830 5.559 1.00 73.10 H new ATOM 0 HB3 TYR A 27 7.295 -3.160 6.049 1.00 73.10 H new ATOM 0 HD1 TYR A 27 10.919 -2.139 5.717 1.00 13.01 H new ATOM 0 HD2 TYR A 27 6.833 -0.888 5.562 1.00 14.01 H new ATOM 0 HE1 TYR A 27 11.624 0.092 4.976 1.00 44.22 H new ATOM 0 HE2 TYR A 27 7.550 1.332 4.814 1.00 33.23 H new ATOM 0 HH TYR A 27 9.320 2.492 3.891 1.00 73.31 H new ATOM 470 N GLN A 28 6.954 -4.208 9.138 1.00 30.20 N ATOM 471 CA GLN A 28 6.035 -5.162 9.771 1.00 62.12 C ATOM 472 C GLN A 28 4.851 -5.425 8.831 1.00 3.54 C ATOM 473 O GLN A 28 4.041 -4.532 8.581 1.00 34.20 O ATOM 474 CB GLN A 28 5.537 -4.553 11.109 1.00 22.53 C ATOM 475 CG GLN A 28 4.457 -5.356 11.851 1.00 14.04 C ATOM 476 CD GLN A 28 4.039 -4.685 13.160 1.00 21.14 C ATOM 477 OE1 GLN A 28 4.575 -4.984 14.232 1.00 4.00 O ATOM 478 NE2 GLN A 28 3.120 -3.730 13.074 1.00 61.42 N ATOM 0 H GLN A 28 6.861 -3.259 9.501 1.00 30.20 H new ATOM 0 HA GLN A 28 6.541 -6.107 9.968 1.00 62.12 H new ATOM 0 HB2 GLN A 28 6.393 -4.433 11.772 1.00 22.53 H new ATOM 0 HB3 GLN A 28 5.147 -3.555 10.909 1.00 22.53 H new ATOM 0 HG2 GLN A 28 3.584 -5.470 11.208 1.00 14.04 H new ATOM 0 HG3 GLN A 28 4.831 -6.358 12.061 1.00 14.04 H new ATOM 0 HE21 GLN A 28 2.697 -3.509 12.172 1.00 61.42 H new ATOM 0 HE22 GLN A 28 2.837 -3.218 13.910 1.00 61.42 H new ATOM 487 N VAL A 29 4.758 -6.661 8.325 1.00 25.45 N ATOM 488 CA VAL A 29 3.740 -7.042 7.339 1.00 43.14 C ATOM 489 C VAL A 29 2.519 -7.660 8.041 1.00 60.54 C ATOM 490 O VAL A 29 2.661 -8.498 8.937 1.00 51.14 O ATOM 491 CB VAL A 29 4.307 -8.050 6.265 1.00 41.14 C ATOM 492 CG1 VAL A 29 3.258 -8.329 5.160 1.00 33.33 C ATOM 493 CG2 VAL A 29 5.639 -7.535 5.664 1.00 54.10 C ATOM 0 H VAL A 29 5.384 -7.422 8.587 1.00 25.45 H new ATOM 0 HA VAL A 29 3.439 -6.133 6.818 1.00 43.14 H new ATOM 0 HB VAL A 29 4.518 -8.994 6.767 1.00 41.14 H new ATOM 0 HG11 VAL A 29 3.673 -9.026 4.432 1.00 33.33 H new ATOM 0 HG12 VAL A 29 2.364 -8.762 5.608 1.00 33.33 H new ATOM 0 HG13 VAL A 29 2.998 -7.395 4.661 1.00 33.33 H new ATOM 0 HG21 VAL A 29 6.006 -8.250 4.927 1.00 54.10 H new ATOM 0 HG22 VAL A 29 5.473 -6.571 5.183 1.00 54.10 H new ATOM 0 HG23 VAL A 29 6.377 -7.421 6.458 1.00 54.10 H new ATOM 503 N ARG A 30 1.332 -7.219 7.621 1.00 71.12 N ATOM 504 CA ARG A 30 0.044 -7.767 8.048 1.00 24.02 C ATOM 505 C ARG A 30 -0.911 -7.751 6.840 1.00 73.00 C ATOM 506 O ARG A 30 -0.776 -6.905 5.959 1.00 22.24 O ATOM 507 CB ARG A 30 -0.537 -6.937 9.228 1.00 24.05 C ATOM 508 CG ARG A 30 -1.981 -7.325 9.599 1.00 33.41 C ATOM 509 CD ARG A 30 -2.574 -6.496 10.737 1.00 53.23 C ATOM 510 NE ARG A 30 -4.036 -6.646 10.769 1.00 70.24 N ATOM 511 CZ ARG A 30 -4.790 -6.883 11.846 1.00 0.01 C ATOM 512 NH1 ARG A 30 -4.242 -7.030 13.054 1.00 22.44 N ATOM 513 NH2 ARG A 30 -6.114 -6.887 11.707 1.00 15.13 N ATOM 0 H ARG A 30 1.238 -6.451 6.957 1.00 71.12 H new ATOM 0 HA ARG A 30 0.171 -8.790 8.402 1.00 24.02 H new ATOM 0 HB2 ARG A 30 0.102 -7.066 10.102 1.00 24.05 H new ATOM 0 HB3 ARG A 30 -0.509 -5.879 8.966 1.00 24.05 H new ATOM 0 HG2 ARG A 30 -2.613 -7.218 8.717 1.00 33.41 H new ATOM 0 HG3 ARG A 30 -2.003 -8.378 9.881 1.00 33.41 H new ATOM 0 HD2 ARG A 30 -2.148 -6.815 11.688 1.00 53.23 H new ATOM 0 HD3 ARG A 30 -2.312 -5.446 10.606 1.00 53.23 H new ATOM 0 HE ARG A 30 -4.525 -6.560 9.878 1.00 70.24 H new ATOM 0 HH11 ARG A 30 -3.231 -6.962 13.167 1.00 22.44 H new ATOM 0 HH12 ARG A 30 -4.835 -7.210 13.864 1.00 22.44 H new ATOM 0 HH21 ARG A 30 -6.531 -6.712 10.793 1.00 15.13 H new ATOM 0 HH22 ARG A 30 -6.711 -7.065 12.515 1.00 15.13 H new ATOM 527 N ASP A 31 -1.863 -8.693 6.808 1.00 2.21 N ATOM 528 CA ASP A 31 -2.843 -8.832 5.719 1.00 64.44 C ATOM 529 C ASP A 31 -4.269 -8.606 6.243 1.00 4.55 C ATOM 530 O ASP A 31 -4.563 -8.874 7.418 1.00 51.42 O ATOM 531 CB ASP A 31 -2.705 -10.237 5.072 1.00 24.32 C ATOM 532 CG ASP A 31 -2.926 -11.407 6.042 1.00 4.12 C ATOM 533 OD1 ASP A 31 -2.074 -11.617 6.932 1.00 50.22 O ATOM 534 OD2 ASP A 31 -3.937 -12.125 5.923 1.00 32.03 O ATOM 0 H ASP A 31 -1.977 -9.389 7.545 1.00 2.21 H new ATOM 0 HA ASP A 31 -2.645 -8.075 4.960 1.00 64.44 H new ATOM 0 HB2 ASP A 31 -3.421 -10.319 4.254 1.00 24.32 H new ATOM 0 HB3 ASP A 31 -1.710 -10.326 4.635 1.00 24.32 H new ATOM 539 N VAL A 32 -5.142 -8.095 5.360 1.00 41.14 N ATOM 540 CA VAL A 32 -6.570 -7.890 5.649 1.00 11.03 C ATOM 541 C VAL A 32 -7.347 -9.107 5.124 1.00 14.11 C ATOM 542 O VAL A 32 -7.242 -9.436 3.940 1.00 33.02 O ATOM 543 CB VAL A 32 -7.121 -6.582 4.964 1.00 2.45 C ATOM 544 CG1 VAL A 32 -8.537 -6.246 5.472 1.00 42.54 C ATOM 545 CG2 VAL A 32 -6.163 -5.392 5.161 1.00 42.44 C ATOM 0 H VAL A 32 -4.874 -7.810 4.418 1.00 41.14 H new ATOM 0 HA VAL A 32 -6.698 -7.778 6.726 1.00 11.03 H new ATOM 0 HB VAL A 32 -7.185 -6.775 3.893 1.00 2.45 H new ATOM 0 HG11 VAL A 32 -8.893 -5.339 4.983 1.00 42.54 H new ATOM 0 HG12 VAL A 32 -9.211 -7.071 5.242 1.00 42.54 H new ATOM 0 HG13 VAL A 32 -8.509 -6.090 6.550 1.00 42.54 H new ATOM 0 HG21 VAL A 32 -6.576 -4.508 4.675 1.00 42.44 H new ATOM 0 HG22 VAL A 32 -6.040 -5.196 6.226 1.00 42.44 H new ATOM 0 HG23 VAL A 32 -5.194 -5.628 4.721 1.00 42.44 H new ATOM 555 N ASN A 33 -8.093 -9.793 6.007 1.00 2.12 N ATOM 556 CA ASN A 33 -8.878 -11.002 5.636 1.00 23.32 C ATOM 557 C ASN A 33 -10.384 -10.691 5.510 1.00 1.10 C ATOM 558 O ASN A 33 -11.146 -11.526 5.001 1.00 15.21 O ATOM 559 CB ASN A 33 -8.651 -12.133 6.674 1.00 45.33 C ATOM 560 CG ASN A 33 -7.201 -12.613 6.721 1.00 72.14 C ATOM 561 OD1 ASN A 33 -6.807 -13.531 5.995 1.00 73.24 O ATOM 562 ND2 ASN A 33 -6.396 -12.000 7.574 1.00 34.43 N ATOM 0 H ASN A 33 -8.174 -9.535 6.991 1.00 2.12 H new ATOM 0 HA ASN A 33 -8.525 -11.335 4.660 1.00 23.32 H new ATOM 0 HB2 ASN A 33 -8.943 -11.777 7.662 1.00 45.33 H new ATOM 0 HB3 ASN A 33 -9.300 -12.975 6.434 1.00 45.33 H new ATOM 0 HD21 ASN A 33 -5.419 -12.282 7.646 1.00 34.43 H new ATOM 0 HD22 ASN A 33 -6.753 -11.245 8.160 1.00 34.43 H new ATOM 569 N ASP A 34 -10.795 -9.488 5.964 1.00 30.41 N ATOM 570 CA ASP A 34 -12.214 -9.046 5.955 1.00 75.13 C ATOM 571 C ASP A 34 -12.307 -7.562 6.386 1.00 5.32 C ATOM 572 O ASP A 34 -11.315 -6.997 6.848 1.00 41.12 O ATOM 573 CB ASP A 34 -13.067 -9.950 6.903 1.00 21.22 C ATOM 574 CG ASP A 34 -14.587 -9.753 6.736 1.00 41.10 C ATOM 575 OD1 ASP A 34 -15.146 -10.210 5.717 1.00 25.12 O ATOM 576 OD2 ASP A 34 -15.223 -9.123 7.602 1.00 52.31 O ATOM 0 H ASP A 34 -10.155 -8.792 6.348 1.00 30.41 H new ATOM 0 HA ASP A 34 -12.610 -9.140 4.944 1.00 75.13 H new ATOM 0 HB2 ASP A 34 -12.821 -10.995 6.714 1.00 21.22 H new ATOM 0 HB3 ASP A 34 -12.793 -9.740 7.937 1.00 21.22 H new ATOM 581 N SER A 35 -13.507 -6.943 6.236 1.00 13.12 N ATOM 582 CA SER A 35 -13.800 -5.576 6.741 1.00 12.24 C ATOM 583 C SER A 35 -13.681 -5.520 8.280 1.00 71.34 C ATOM 584 O SER A 35 -13.382 -4.468 8.855 1.00 4.22 O ATOM 585 CB SER A 35 -15.221 -5.143 6.308 1.00 24.34 C ATOM 586 OG SER A 35 -15.463 -3.767 6.568 1.00 71.15 O ATOM 0 H SER A 35 -14.298 -7.378 5.762 1.00 13.12 H new ATOM 0 HA SER A 35 -13.068 -4.891 6.313 1.00 12.24 H new ATOM 0 HB2 SER A 35 -15.351 -5.339 5.244 1.00 24.34 H new ATOM 0 HB3 SER A 35 -15.960 -5.747 6.835 1.00 24.34 H new ATOM 0 HG SER A 35 -16.370 -3.534 6.279 1.00 71.15 H new ATOM 592 N ASP A 36 -13.912 -6.681 8.920 1.00 72.22 N ATOM 593 CA ASP A 36 -13.767 -6.868 10.366 1.00 72.43 C ATOM 594 C ASP A 36 -12.286 -6.701 10.753 1.00 25.41 C ATOM 595 O ASP A 36 -11.942 -5.939 11.667 1.00 4.23 O ATOM 596 CB ASP A 36 -14.287 -8.283 10.768 1.00 13.15 C ATOM 597 CG ASP A 36 -14.439 -8.472 12.286 1.00 41.25 C ATOM 598 OD1 ASP A 36 -13.430 -8.460 13.000 1.00 1.21 O ATOM 599 OD2 ASP A 36 -15.569 -8.566 12.786 1.00 62.15 O ATOM 0 H ASP A 36 -14.210 -7.527 8.434 1.00 72.22 H new ATOM 0 HA ASP A 36 -14.356 -6.121 10.898 1.00 72.43 H new ATOM 0 HB2 ASP A 36 -15.251 -8.456 10.290 1.00 13.15 H new ATOM 0 HB3 ASP A 36 -13.600 -9.037 10.383 1.00 13.15 H new ATOM 604 N GLU A 37 -11.426 -7.421 10.011 1.00 2.33 N ATOM 605 CA GLU A 37 -9.965 -7.373 10.179 1.00 4.13 C ATOM 606 C GLU A 37 -9.429 -5.971 9.873 1.00 13.55 C ATOM 607 O GLU A 37 -8.522 -5.490 10.552 1.00 44.30 O ATOM 608 CB GLU A 37 -9.301 -8.421 9.250 1.00 71.34 C ATOM 609 CG GLU A 37 -9.767 -9.867 9.503 1.00 51.22 C ATOM 610 CD GLU A 37 -9.444 -10.353 10.924 1.00 74.11 C ATOM 611 OE1 GLU A 37 -8.317 -10.839 11.150 1.00 60.22 O ATOM 612 OE2 GLU A 37 -10.303 -10.232 11.825 1.00 2.42 O ATOM 0 H GLU A 37 -11.729 -8.057 9.273 1.00 2.33 H new ATOM 0 HA GLU A 37 -9.721 -7.607 11.215 1.00 4.13 H new ATOM 0 HB2 GLU A 37 -9.512 -8.158 8.213 1.00 71.34 H new ATOM 0 HB3 GLU A 37 -8.220 -8.371 9.377 1.00 71.34 H new ATOM 0 HG2 GLU A 37 -10.842 -9.932 9.337 1.00 51.22 H new ATOM 0 HG3 GLU A 37 -9.292 -10.530 8.780 1.00 51.22 H new ATOM 619 N LEU A 38 -10.049 -5.336 8.859 1.00 13.12 N ATOM 620 CA LEU A 38 -9.706 -3.989 8.395 1.00 44.35 C ATOM 621 C LEU A 38 -9.839 -2.970 9.536 1.00 13.25 C ATOM 622 O LEU A 38 -8.891 -2.253 9.835 1.00 64.23 O ATOM 623 CB LEU A 38 -10.629 -3.593 7.211 1.00 40.13 C ATOM 624 CG LEU A 38 -10.335 -2.218 6.529 1.00 33.34 C ATOM 625 CD1 LEU A 38 -8.950 -2.209 5.859 1.00 13.04 C ATOM 626 CD2 LEU A 38 -11.446 -1.836 5.530 1.00 44.13 C ATOM 0 H LEU A 38 -10.815 -5.758 8.334 1.00 13.12 H new ATOM 0 HA LEU A 38 -8.669 -3.988 8.058 1.00 44.35 H new ATOM 0 HB2 LEU A 38 -10.563 -4.372 6.451 1.00 40.13 H new ATOM 0 HB3 LEU A 38 -11.658 -3.583 7.569 1.00 40.13 H new ATOM 0 HG LEU A 38 -10.325 -1.460 7.312 1.00 33.34 H new ATOM 0 HD11 LEU A 38 -8.777 -1.238 5.394 1.00 13.04 H new ATOM 0 HD12 LEU A 38 -8.182 -2.394 6.610 1.00 13.04 H new ATOM 0 HD13 LEU A 38 -8.909 -2.988 5.098 1.00 13.04 H new ATOM 0 HD21 LEU A 38 -11.210 -0.875 5.074 1.00 44.13 H new ATOM 0 HD22 LEU A 38 -11.516 -2.599 4.754 1.00 44.13 H new ATOM 0 HD23 LEU A 38 -12.399 -1.765 6.055 1.00 44.13 H new ATOM 638 N LYS A 39 -11.021 -2.945 10.194 1.00 73.10 N ATOM 639 CA LYS A 39 -11.305 -1.979 11.276 1.00 34.11 C ATOM 640 C LYS A 39 -10.464 -2.269 12.540 1.00 62.01 C ATOM 641 O LYS A 39 -10.105 -1.331 13.283 1.00 5.43 O ATOM 642 CB LYS A 39 -12.842 -1.876 11.556 1.00 31.41 C ATOM 643 CG LYS A 39 -13.611 -3.158 11.995 1.00 43.21 C ATOM 644 CD LYS A 39 -13.483 -3.471 13.508 1.00 45.25 C ATOM 645 CE LYS A 39 -14.617 -4.357 14.044 1.00 43.30 C ATOM 646 NZ LYS A 39 -14.659 -5.689 13.406 1.00 73.51 N ATOM 0 H LYS A 39 -11.791 -3.583 9.993 1.00 73.10 H new ATOM 0 HA LYS A 39 -10.992 -0.991 10.939 1.00 34.11 H new ATOM 0 HB2 LYS A 39 -12.987 -1.122 12.330 1.00 31.41 H new ATOM 0 HB3 LYS A 39 -13.318 -1.499 10.651 1.00 31.41 H new ATOM 0 HG2 LYS A 39 -14.665 -3.043 11.744 1.00 43.21 H new ATOM 0 HG3 LYS A 39 -13.239 -4.008 11.424 1.00 43.21 H new ATOM 0 HD2 LYS A 39 -12.529 -3.965 13.690 1.00 45.25 H new ATOM 0 HD3 LYS A 39 -13.469 -2.535 14.066 1.00 45.25 H new ATOM 0 HE2 LYS A 39 -14.497 -4.479 15.120 1.00 43.30 H new ATOM 0 HE3 LYS A 39 -15.570 -3.854 13.885 1.00 43.30 H new ATOM 0 HZ1 LYS A 39 -14.826 -6.416 14.131 1.00 73.51 H new ATOM 0 HZ2 LYS A 39 -15.428 -5.715 12.706 1.00 73.51 H new ATOM 0 HZ3 LYS A 39 -13.753 -5.875 12.931 1.00 73.51 H new ATOM 660 N LYS A 40 -10.117 -3.566 12.754 1.00 45.00 N ATOM 661 CA LYS A 40 -9.180 -3.965 13.829 1.00 61.02 C ATOM 662 C LYS A 40 -7.814 -3.274 13.640 1.00 44.31 C ATOM 663 O LYS A 40 -7.281 -2.662 14.573 1.00 60.13 O ATOM 664 CB LYS A 40 -8.959 -5.504 13.886 1.00 43.42 C ATOM 665 CG LYS A 40 -10.163 -6.364 14.362 1.00 44.32 C ATOM 666 CD LYS A 40 -9.713 -7.561 15.244 1.00 65.40 C ATOM 667 CE LYS A 40 -10.848 -8.542 15.545 1.00 55.22 C ATOM 668 NZ LYS A 40 -11.226 -9.313 14.336 1.00 1.02 N ATOM 0 H LYS A 40 -10.471 -4.345 12.199 1.00 45.00 H new ATOM 0 HA LYS A 40 -9.637 -3.651 14.768 1.00 61.02 H new ATOM 0 HB2 LYS A 40 -8.670 -5.844 12.891 1.00 43.42 H new ATOM 0 HB3 LYS A 40 -8.116 -5.703 14.548 1.00 43.42 H new ATOM 0 HG2 LYS A 40 -10.854 -5.738 14.926 1.00 44.32 H new ATOM 0 HG3 LYS A 40 -10.707 -6.738 13.494 1.00 44.32 H new ATOM 0 HD2 LYS A 40 -8.905 -8.092 14.741 1.00 65.40 H new ATOM 0 HD3 LYS A 40 -9.309 -7.182 16.183 1.00 65.40 H new ATOM 0 HE2 LYS A 40 -10.540 -9.227 16.335 1.00 55.22 H new ATOM 0 HE3 LYS A 40 -11.715 -7.996 15.917 1.00 55.22 H new ATOM 0 HZ1 LYS A 40 -11.593 -10.244 14.619 1.00 1.02 H new ATOM 0 HZ2 LYS A 40 -11.960 -8.796 13.810 1.00 1.02 H new ATOM 0 HZ3 LYS A 40 -10.390 -9.440 13.730 1.00 1.02 H new ATOM 682 N GLU A 41 -7.256 -3.375 12.411 1.00 24.53 N ATOM 683 CA GLU A 41 -5.953 -2.782 12.099 1.00 34.44 C ATOM 684 C GLU A 41 -6.064 -1.269 11.890 1.00 3.20 C ATOM 685 O GLU A 41 -5.066 -0.580 12.021 1.00 34.40 O ATOM 686 CB GLU A 41 -5.255 -3.498 10.913 1.00 1.03 C ATOM 687 CG GLU A 41 -6.049 -3.572 9.596 1.00 13.33 C ATOM 688 CD GLU A 41 -5.586 -4.727 8.690 1.00 44.23 C ATOM 689 OE1 GLU A 41 -4.555 -4.582 8.000 1.00 13.21 O ATOM 690 OE2 GLU A 41 -6.222 -5.816 8.717 1.00 4.44 O ATOM 0 H GLU A 41 -7.693 -3.861 11.628 1.00 24.53 H new ATOM 0 HA GLU A 41 -5.309 -2.935 12.965 1.00 34.44 H new ATOM 0 HB2 GLU A 41 -4.311 -2.990 10.715 1.00 1.03 H new ATOM 0 HB3 GLU A 41 -5.011 -4.514 11.223 1.00 1.03 H new ATOM 0 HG2 GLU A 41 -7.108 -3.694 9.821 1.00 13.33 H new ATOM 0 HG3 GLU A 41 -5.944 -2.629 9.059 1.00 13.33 H new ATOM 697 N MET A 42 -7.275 -0.747 11.623 1.00 74.20 N ATOM 698 CA MET A 42 -7.507 0.717 11.602 1.00 34.14 C ATOM 699 C MET A 42 -7.344 1.318 13.009 1.00 63.41 C ATOM 700 O MET A 42 -6.987 2.481 13.139 1.00 71.35 O ATOM 701 CB MET A 42 -8.892 1.103 11.007 1.00 71.24 C ATOM 702 CG MET A 42 -9.024 0.860 9.493 1.00 15.42 C ATOM 703 SD MET A 42 -7.646 1.541 8.544 1.00 0.34 S ATOM 704 CE MET A 42 -7.702 3.288 8.937 1.00 53.13 C ATOM 0 H MET A 42 -8.103 -1.307 11.420 1.00 74.20 H new ATOM 0 HA MET A 42 -6.749 1.139 10.942 1.00 34.14 H new ATOM 0 HB2 MET A 42 -9.666 0.535 11.523 1.00 71.24 H new ATOM 0 HB3 MET A 42 -9.081 2.157 11.211 1.00 71.24 H new ATOM 0 HG2 MET A 42 -9.091 -0.212 9.307 1.00 15.42 H new ATOM 0 HG3 MET A 42 -9.955 1.303 9.140 1.00 15.42 H new ATOM 0 HE1 MET A 42 -7.636 3.870 8.018 1.00 53.13 H new ATOM 0 HE2 MET A 42 -8.639 3.517 9.445 1.00 53.13 H new ATOM 0 HE3 MET A 42 -6.865 3.542 9.588 1.00 53.13 H new ATOM 714 N LYS A 43 -7.624 0.522 14.057 1.00 25.54 N ATOM 715 CA LYS A 43 -7.255 0.900 15.443 1.00 61.51 C ATOM 716 C LYS A 43 -5.722 0.946 15.618 1.00 74.41 C ATOM 717 O LYS A 43 -5.203 1.841 16.282 1.00 71.01 O ATOM 718 CB LYS A 43 -7.932 -0.051 16.482 1.00 0.45 C ATOM 719 CG LYS A 43 -9.270 0.454 17.099 1.00 22.30 C ATOM 720 CD LYS A 43 -10.447 0.639 16.096 1.00 72.22 C ATOM 721 CE LYS A 43 -10.443 1.974 15.322 1.00 54.02 C ATOM 722 NZ LYS A 43 -11.634 2.111 14.443 1.00 22.34 N ATOM 0 H LYS A 43 -8.099 -0.377 13.978 1.00 25.54 H new ATOM 0 HA LYS A 43 -7.630 1.906 15.631 1.00 61.51 H new ATOM 0 HB2 LYS A 43 -8.117 -1.011 16.000 1.00 0.45 H new ATOM 0 HB3 LYS A 43 -7.226 -0.232 17.293 1.00 0.45 H new ATOM 0 HG2 LYS A 43 -9.582 -0.250 17.871 1.00 22.30 H new ATOM 0 HG3 LYS A 43 -9.084 1.408 17.593 1.00 22.30 H new ATOM 0 HD2 LYS A 43 -10.424 -0.180 15.377 1.00 72.22 H new ATOM 0 HD3 LYS A 43 -11.386 0.557 16.643 1.00 72.22 H new ATOM 0 HE2 LYS A 43 -10.417 2.803 16.029 1.00 54.02 H new ATOM 0 HE3 LYS A 43 -9.538 2.041 14.719 1.00 54.02 H new ATOM 0 HZ1 LYS A 43 -11.592 3.021 13.941 1.00 22.34 H new ATOM 0 HZ2 LYS A 43 -11.646 1.335 13.751 1.00 22.34 H new ATOM 0 HZ3 LYS A 43 -12.498 2.073 15.021 1.00 22.34 H new ATOM 736 N LYS A 44 -5.011 0.000 14.980 1.00 62.22 N ATOM 737 CA LYS A 44 -3.531 -0.052 15.029 1.00 73.23 C ATOM 738 C LYS A 44 -2.922 1.188 14.322 1.00 63.21 C ATOM 739 O LYS A 44 -1.974 1.787 14.810 1.00 31.10 O ATOM 740 CB LYS A 44 -2.998 -1.363 14.363 1.00 24.21 C ATOM 741 CG LYS A 44 -3.603 -2.677 14.917 1.00 74.23 C ATOM 742 CD LYS A 44 -3.244 -2.949 16.389 1.00 54.12 C ATOM 743 CE LYS A 44 -1.752 -3.253 16.598 1.00 5.43 C ATOM 744 NZ LYS A 44 -1.449 -3.479 18.035 1.00 33.14 N ATOM 0 H LYS A 44 -5.434 -0.742 14.422 1.00 62.22 H new ATOM 0 HA LYS A 44 -3.227 -0.047 16.076 1.00 73.23 H new ATOM 0 HB2 LYS A 44 -3.196 -1.314 13.292 1.00 24.21 H new ATOM 0 HB3 LYS A 44 -1.916 -1.400 14.486 1.00 24.21 H new ATOM 0 HG2 LYS A 44 -4.688 -2.638 14.818 1.00 74.23 H new ATOM 0 HG3 LYS A 44 -3.257 -3.512 14.307 1.00 74.23 H new ATOM 0 HD2 LYS A 44 -3.520 -2.083 16.990 1.00 54.12 H new ATOM 0 HD3 LYS A 44 -3.835 -3.790 16.752 1.00 54.12 H new ATOM 0 HE2 LYS A 44 -1.473 -4.135 16.021 1.00 5.43 H new ATOM 0 HE3 LYS A 44 -1.153 -2.424 16.223 1.00 5.43 H new ATOM 0 HZ1 LYS A 44 -0.651 -4.141 18.122 1.00 33.14 H new ATOM 0 HZ2 LYS A 44 -1.199 -2.575 18.483 1.00 33.14 H new ATOM 0 HZ3 LYS A 44 -2.284 -3.880 18.507 1.00 33.14 H new ATOM 758 N LEU A 45 -3.517 1.570 13.173 1.00 43.32 N ATOM 759 CA LEU A 45 -3.013 2.662 12.309 1.00 24.40 C ATOM 760 C LEU A 45 -3.375 4.054 12.882 1.00 3.45 C ATOM 761 O LEU A 45 -2.523 4.948 12.948 1.00 54.42 O ATOM 762 CB LEU A 45 -3.595 2.505 10.865 1.00 41.52 C ATOM 763 CG LEU A 45 -3.371 1.117 10.174 1.00 13.12 C ATOM 764 CD1 LEU A 45 -4.104 1.020 8.815 1.00 51.24 C ATOM 765 CD2 LEU A 45 -1.875 0.772 10.048 1.00 24.30 C ATOM 0 H LEU A 45 -4.364 1.129 12.815 1.00 43.32 H new ATOM 0 HA LEU A 45 -1.926 2.592 12.274 1.00 24.40 H new ATOM 0 HB2 LEU A 45 -4.667 2.698 10.905 1.00 41.52 H new ATOM 0 HB3 LEU A 45 -3.155 3.277 10.233 1.00 41.52 H new ATOM 0 HG LEU A 45 -3.816 0.365 10.826 1.00 13.12 H new ATOM 0 HD11 LEU A 45 -3.921 0.041 8.372 1.00 51.24 H new ATOM 0 HD12 LEU A 45 -5.175 1.154 8.969 1.00 51.24 H new ATOM 0 HD13 LEU A 45 -3.734 1.796 8.146 1.00 51.24 H new ATOM 0 HD21 LEU A 45 -1.765 -0.198 9.564 1.00 24.30 H new ATOM 0 HD22 LEU A 45 -1.375 1.535 9.451 1.00 24.30 H new ATOM 0 HD23 LEU A 45 -1.425 0.735 11.040 1.00 24.30 H new ATOM 777 N ALA A 46 -4.645 4.214 13.300 1.00 20.12 N ATOM 778 CA ALA A 46 -5.208 5.521 13.702 1.00 21.02 C ATOM 779 C ALA A 46 -5.056 5.791 15.207 1.00 71.42 C ATOM 780 O ALA A 46 -4.585 6.868 15.603 1.00 44.12 O ATOM 781 CB ALA A 46 -6.688 5.606 13.279 1.00 34.32 C ATOM 0 H ALA A 46 -5.310 3.444 13.369 1.00 20.12 H new ATOM 0 HA ALA A 46 -4.638 6.295 13.188 1.00 21.02 H new ATOM 0 HB1 ALA A 46 -7.097 6.571 13.578 1.00 34.32 H new ATOM 0 HB2 ALA A 46 -6.764 5.499 12.197 1.00 34.32 H new ATOM 0 HB3 ALA A 46 -7.251 4.808 13.763 1.00 34.32 H new ATOM 787 N GLU A 47 -5.460 4.813 16.045 1.00 42.41 N ATOM 788 CA GLU A 47 -5.511 5.000 17.510 1.00 54.11 C ATOM 789 C GLU A 47 -4.109 4.869 18.122 1.00 4.32 C ATOM 790 O GLU A 47 -3.694 5.707 18.932 1.00 34.12 O ATOM 791 CB GLU A 47 -6.498 3.996 18.165 1.00 65.02 C ATOM 792 CG GLU A 47 -7.965 4.163 17.720 1.00 14.12 C ATOM 793 CD GLU A 47 -8.529 5.559 18.037 1.00 24.35 C ATOM 794 OE1 GLU A 47 -8.800 5.840 19.220 1.00 23.15 O ATOM 795 OE2 GLU A 47 -8.684 6.386 17.116 1.00 50.34 O ATOM 0 H GLU A 47 -5.755 3.888 15.733 1.00 42.41 H new ATOM 0 HA GLU A 47 -5.877 6.007 17.711 1.00 54.11 H new ATOM 0 HB2 GLU A 47 -6.174 2.982 17.932 1.00 65.02 H new ATOM 0 HB3 GLU A 47 -6.445 4.107 19.248 1.00 65.02 H new ATOM 0 HG2 GLU A 47 -8.037 3.982 16.648 1.00 14.12 H new ATOM 0 HG3 GLU A 47 -8.578 3.408 18.213 1.00 14.12 H new ATOM 802 N GLU A 48 -3.389 3.811 17.723 1.00 55.34 N ATOM 803 CA GLU A 48 -2.008 3.575 18.163 1.00 3.14 C ATOM 804 C GLU A 48 -1.047 4.399 17.294 1.00 64.34 C ATOM 805 O GLU A 48 -0.414 3.891 16.355 1.00 52.04 O ATOM 806 CB GLU A 48 -1.681 2.066 18.117 1.00 1.24 C ATOM 807 CG GLU A 48 -2.543 1.203 19.062 1.00 34.24 C ATOM 808 CD GLU A 48 -2.218 -0.295 19.006 1.00 43.12 C ATOM 809 OE1 GLU A 48 -1.044 -0.659 18.780 1.00 54.03 O ATOM 810 OE2 GLU A 48 -3.128 -1.126 19.178 1.00 33.42 O ATOM 0 H GLU A 48 -3.747 3.097 17.088 1.00 55.34 H new ATOM 0 HA GLU A 48 -1.889 3.898 19.197 1.00 3.14 H new ATOM 0 HB2 GLU A 48 -1.812 1.708 17.096 1.00 1.24 H new ATOM 0 HB3 GLU A 48 -0.631 1.925 18.372 1.00 1.24 H new ATOM 0 HG2 GLU A 48 -2.408 1.556 20.084 1.00 34.24 H new ATOM 0 HG3 GLU A 48 -3.594 1.346 18.811 1.00 34.24 H new ATOM 817 N LYS A 49 -1.005 5.701 17.595 1.00 21.11 N ATOM 818 CA LYS A 49 -0.189 6.678 16.882 1.00 65.22 C ATOM 819 C LYS A 49 1.264 6.605 17.401 1.00 25.51 C ATOM 820 O LYS A 49 1.648 7.292 18.352 1.00 62.21 O ATOM 821 CB LYS A 49 -0.814 8.093 17.050 1.00 62.34 C ATOM 822 CG LYS A 49 -0.132 9.211 16.227 1.00 75.12 C ATOM 823 CD LYS A 49 -0.845 10.578 16.360 1.00 74.12 C ATOM 824 CE LYS A 49 -2.297 10.555 15.846 1.00 1.33 C ATOM 825 NZ LYS A 49 -2.978 11.862 16.061 1.00 74.12 N ATOM 0 H LYS A 49 -1.549 6.109 18.356 1.00 21.11 H new ATOM 0 HA LYS A 49 -0.166 6.458 15.815 1.00 65.22 H new ATOM 0 HB2 LYS A 49 -1.866 8.045 16.768 1.00 62.34 H new ATOM 0 HB3 LYS A 49 -0.779 8.366 18.105 1.00 62.34 H new ATOM 0 HG2 LYS A 49 0.903 9.314 16.552 1.00 75.12 H new ATOM 0 HG3 LYS A 49 -0.109 8.920 15.177 1.00 75.12 H new ATOM 0 HD2 LYS A 49 -0.841 10.883 17.407 1.00 74.12 H new ATOM 0 HD3 LYS A 49 -0.282 11.330 15.807 1.00 74.12 H new ATOM 0 HE2 LYS A 49 -2.303 10.312 14.783 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -2.851 9.767 16.356 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -3.953 11.809 15.703 1.00 74.12 H new ATOM 0 HZ2 LYS A 49 -2.994 12.082 17.077 1.00 74.12 H new ATOM 0 HZ3 LYS A 49 -2.463 12.609 15.553 1.00 74.12 H new ATOM 839 N ASN A 50 2.033 5.687 16.798 1.00 11.24 N ATOM 840 CA ASN A 50 3.467 5.493 17.083 1.00 33.25 C ATOM 841 C ASN A 50 4.185 5.310 15.741 1.00 61.31 C ATOM 842 O ASN A 50 3.731 4.527 14.906 1.00 15.34 O ATOM 843 CB ASN A 50 3.684 4.256 18.005 1.00 71.40 C ATOM 844 CG ASN A 50 5.120 4.120 18.552 1.00 30.01 C ATOM 845 OD1 ASN A 50 6.097 4.578 17.949 1.00 4.01 O ATOM 846 ND2 ASN A 50 5.263 3.467 19.699 1.00 5.23 N ATOM 0 H ASN A 50 1.674 5.048 16.088 1.00 11.24 H new ATOM 0 HA ASN A 50 3.870 6.358 17.610 1.00 33.25 H new ATOM 0 HB2 ASN A 50 2.991 4.317 18.845 1.00 71.40 H new ATOM 0 HB3 ASN A 50 3.432 3.353 17.448 1.00 71.40 H new ATOM 0 HD21 ASN A 50 6.192 3.335 20.099 1.00 5.23 H new ATOM 0 HD22 ASN A 50 4.444 3.097 20.181 1.00 5.23 H new ATOM 853 N PHE A 51 5.285 6.056 15.534 1.00 23.34 N ATOM 854 CA PHE A 51 6.050 6.022 14.274 1.00 24.33 C ATOM 855 C PHE A 51 6.685 4.628 14.082 1.00 54.22 C ATOM 856 O PHE A 51 7.503 4.200 14.900 1.00 55.41 O ATOM 857 CB PHE A 51 7.141 7.135 14.262 1.00 33.14 C ATOM 858 CG PHE A 51 7.829 7.321 12.903 1.00 40.25 C ATOM 859 CD1 PHE A 51 8.930 6.542 12.532 1.00 10.33 C ATOM 860 CD2 PHE A 51 7.363 8.270 11.989 1.00 31.13 C ATOM 861 CE1 PHE A 51 9.528 6.702 11.299 1.00 33.01 C ATOM 862 CE2 PHE A 51 7.969 8.430 10.759 1.00 41.32 C ATOM 863 CZ PHE A 51 9.048 7.651 10.417 1.00 21.13 C ATOM 0 H PHE A 51 5.667 6.696 16.231 1.00 23.34 H new ATOM 0 HA PHE A 51 5.369 6.212 13.444 1.00 24.33 H new ATOM 0 HB2 PHE A 51 6.685 8.079 14.559 1.00 33.14 H new ATOM 0 HB3 PHE A 51 7.897 6.897 15.011 1.00 33.14 H new ATOM 0 HD1 PHE A 51 9.317 5.805 13.220 1.00 10.33 H new ATOM 0 HD2 PHE A 51 6.516 8.888 12.249 1.00 31.13 H new ATOM 0 HE1 PHE A 51 10.371 6.086 11.023 1.00 33.01 H new ATOM 0 HE2 PHE A 51 7.595 9.168 10.065 1.00 41.32 H new ATOM 0 HZ PHE A 51 9.522 7.781 9.456 1.00 21.13 H new ATOM 873 N GLU A 52 6.277 3.936 13.007 1.00 43.43 N ATOM 874 CA GLU A 52 6.776 2.595 12.673 1.00 1.05 C ATOM 875 C GLU A 52 6.524 2.277 11.196 1.00 3.41 C ATOM 876 O GLU A 52 5.782 2.988 10.504 1.00 22.21 O ATOM 877 CB GLU A 52 6.114 1.525 13.585 1.00 1.52 C ATOM 878 CG GLU A 52 4.569 1.461 13.493 1.00 11.34 C ATOM 879 CD GLU A 52 3.903 0.444 14.438 1.00 55.11 C ATOM 880 OE1 GLU A 52 4.552 -0.039 15.386 1.00 22.54 O ATOM 881 OE2 GLU A 52 2.713 0.131 14.238 1.00 44.50 O ATOM 0 H GLU A 52 5.589 4.293 12.343 1.00 43.43 H new ATOM 0 HA GLU A 52 7.852 2.576 12.847 1.00 1.05 H new ATOM 0 HB2 GLU A 52 6.520 0.547 13.328 1.00 1.52 H new ATOM 0 HB3 GLU A 52 6.395 1.725 14.619 1.00 1.52 H new ATOM 0 HG2 GLU A 52 4.166 2.451 13.707 1.00 11.34 H new ATOM 0 HG3 GLU A 52 4.291 1.218 12.468 1.00 11.34 H new ATOM 888 N LYS A 53 7.153 1.196 10.735 1.00 61.14 N ATOM 889 CA LYS A 53 7.084 0.730 9.347 1.00 34.32 C ATOM 890 C LYS A 53 6.088 -0.429 9.235 1.00 62.24 C ATOM 891 O LYS A 53 6.233 -1.438 9.931 1.00 22.01 O ATOM 892 CB LYS A 53 8.494 0.281 8.913 1.00 62.50 C ATOM 893 CG LYS A 53 9.523 1.426 8.851 1.00 61.24 C ATOM 894 CD LYS A 53 10.965 0.918 8.642 1.00 63.44 C ATOM 895 CE LYS A 53 11.953 2.065 8.428 1.00 51.24 C ATOM 896 NZ LYS A 53 11.628 2.844 7.200 1.00 1.44 N ATOM 0 H LYS A 53 7.738 0.606 11.327 1.00 61.14 H new ATOM 0 HA LYS A 53 6.741 1.533 8.695 1.00 34.32 H new ATOM 0 HB2 LYS A 53 8.852 -0.479 9.607 1.00 62.50 H new ATOM 0 HB3 LYS A 53 8.429 -0.189 7.932 1.00 62.50 H new ATOM 0 HG2 LYS A 53 9.259 2.103 8.039 1.00 61.24 H new ATOM 0 HG3 LYS A 53 9.475 2.003 9.775 1.00 61.24 H new ATOM 0 HD2 LYS A 53 11.272 0.333 9.509 1.00 63.44 H new ATOM 0 HD3 LYS A 53 10.993 0.251 7.781 1.00 63.44 H new ATOM 0 HE2 LYS A 53 11.937 2.726 9.294 1.00 51.24 H new ATOM 0 HE3 LYS A 53 12.964 1.666 8.350 1.00 51.24 H new ATOM 0 HZ1 LYS A 53 12.509 3.153 6.742 1.00 1.44 H new ATOM 0 HZ2 LYS A 53 11.087 2.247 6.543 1.00 1.44 H new ATOM 0 HZ3 LYS A 53 11.061 3.677 7.457 1.00 1.44 H new ATOM 910 N ILE A 54 5.071 -0.267 8.371 1.00 5.00 N ATOM 911 CA ILE A 54 3.991 -1.252 8.185 1.00 13.52 C ATOM 912 C ILE A 54 3.756 -1.492 6.680 1.00 62.12 C ATOM 913 O ILE A 54 3.627 -0.537 5.908 1.00 14.02 O ATOM 914 CB ILE A 54 2.633 -0.768 8.846 1.00 5.53 C ATOM 915 CG1 ILE A 54 2.842 -0.380 10.345 1.00 64.23 C ATOM 916 CG2 ILE A 54 1.524 -1.848 8.707 1.00 33.54 C ATOM 917 CD1 ILE A 54 1.617 0.192 11.027 1.00 42.23 C ATOM 0 H ILE A 54 4.975 0.557 7.778 1.00 5.00 H new ATOM 0 HA ILE A 54 4.302 -2.175 8.674 1.00 13.52 H new ATOM 0 HB ILE A 54 2.306 0.122 8.309 1.00 5.53 H new ATOM 0 HG12 ILE A 54 3.167 -1.264 10.893 1.00 64.23 H new ATOM 0 HG13 ILE A 54 3.650 0.349 10.408 1.00 64.23 H new ATOM 0 HG21 ILE A 54 0.605 -1.488 9.169 1.00 33.54 H new ATOM 0 HG22 ILE A 54 1.344 -2.051 7.651 1.00 33.54 H new ATOM 0 HG23 ILE A 54 1.844 -2.764 9.203 1.00 33.54 H new ATOM 0 HD11 ILE A 54 1.856 0.432 12.063 1.00 42.23 H new ATOM 0 HD12 ILE A 54 1.301 1.097 10.509 1.00 42.23 H new ATOM 0 HD13 ILE A 54 0.811 -0.541 11.001 1.00 42.23 H new ATOM 929 N LEU A 55 3.731 -2.771 6.275 1.00 30.50 N ATOM 930 CA LEU A 55 3.258 -3.195 4.952 1.00 60.32 C ATOM 931 C LEU A 55 1.885 -3.868 5.129 1.00 20.41 C ATOM 932 O LEU A 55 1.739 -4.738 5.992 1.00 60.33 O ATOM 933 CB LEU A 55 4.246 -4.201 4.302 1.00 2.14 C ATOM 934 CG LEU A 55 3.892 -4.625 2.833 1.00 44.52 C ATOM 935 CD1 LEU A 55 4.164 -3.477 1.855 1.00 32.53 C ATOM 936 CD2 LEU A 55 4.621 -5.908 2.395 1.00 45.50 C ATOM 0 H LEU A 55 4.041 -3.545 6.863 1.00 30.50 H new ATOM 0 HA LEU A 55 3.185 -2.325 4.299 1.00 60.32 H new ATOM 0 HB2 LEU A 55 5.244 -3.762 4.307 1.00 2.14 H new ATOM 0 HB3 LEU A 55 4.289 -5.096 4.922 1.00 2.14 H new ATOM 0 HG LEU A 55 2.826 -4.851 2.817 1.00 44.52 H new ATOM 0 HD11 LEU A 55 3.911 -3.794 0.843 1.00 32.53 H new ATOM 0 HD12 LEU A 55 3.556 -2.615 2.128 1.00 32.53 H new ATOM 0 HD13 LEU A 55 5.219 -3.205 1.897 1.00 32.53 H new ATOM 0 HD21 LEU A 55 4.339 -6.155 1.371 1.00 45.50 H new ATOM 0 HD22 LEU A 55 5.698 -5.750 2.447 1.00 45.50 H new ATOM 0 HD23 LEU A 55 4.342 -6.729 3.056 1.00 45.50 H new ATOM 948 N ILE A 56 0.884 -3.449 4.342 1.00 64.02 N ATOM 949 CA ILE A 56 -0.442 -4.085 4.333 1.00 22.11 C ATOM 950 C ILE A 56 -0.631 -4.863 3.016 1.00 61.15 C ATOM 951 O ILE A 56 -0.426 -4.320 1.920 1.00 2.23 O ATOM 952 CB ILE A 56 -1.602 -3.037 4.519 1.00 73.12 C ATOM 953 CG1 ILE A 56 -1.466 -2.265 5.878 1.00 45.23 C ATOM 954 CG2 ILE A 56 -2.997 -3.703 4.401 1.00 12.54 C ATOM 955 CD1 ILE A 56 -1.566 -3.134 7.129 1.00 74.24 C ATOM 0 H ILE A 56 0.969 -2.664 3.697 1.00 64.02 H new ATOM 0 HA ILE A 56 -0.491 -4.772 5.178 1.00 22.11 H new ATOM 0 HB ILE A 56 -1.510 -2.311 3.711 1.00 73.12 H new ATOM 0 HG12 ILE A 56 -0.507 -1.748 5.890 1.00 45.23 H new ATOM 0 HG13 ILE A 56 -2.241 -1.500 5.923 1.00 45.23 H new ATOM 0 HG21 ILE A 56 -3.773 -2.949 4.535 1.00 12.54 H new ATOM 0 HG22 ILE A 56 -3.100 -4.159 3.416 1.00 12.54 H new ATOM 0 HG23 ILE A 56 -3.100 -4.470 5.169 1.00 12.54 H new ATOM 0 HD11 ILE A 56 -1.460 -2.509 8.016 1.00 74.24 H new ATOM 0 HD12 ILE A 56 -2.536 -3.632 7.150 1.00 74.24 H new ATOM 0 HD13 ILE A 56 -0.774 -3.883 7.116 1.00 74.24 H new ATOM 967 N LYS A 57 -1.013 -6.137 3.160 1.00 10.12 N ATOM 968 CA LYS A 57 -1.310 -7.051 2.061 1.00 65.23 C ATOM 969 C LYS A 57 -2.830 -7.075 1.855 1.00 20.50 C ATOM 970 O LYS A 57 -3.584 -7.245 2.821 1.00 41.52 O ATOM 971 CB LYS A 57 -0.755 -8.464 2.436 1.00 74.01 C ATOM 972 CG LYS A 57 -0.970 -9.622 1.413 1.00 74.25 C ATOM 973 CD LYS A 57 -2.368 -10.296 1.452 1.00 14.45 C ATOM 974 CE LYS A 57 -2.467 -11.487 0.495 1.00 52.45 C ATOM 975 NZ LYS A 57 -3.817 -12.112 0.485 1.00 41.24 N ATOM 0 H LYS A 57 -1.126 -6.570 4.076 1.00 10.12 H new ATOM 0 HA LYS A 57 -0.841 -6.733 1.130 1.00 65.23 H new ATOM 0 HB2 LYS A 57 0.316 -8.367 2.613 1.00 74.01 H new ATOM 0 HB3 LYS A 57 -1.209 -8.763 3.381 1.00 74.01 H new ATOM 0 HG2 LYS A 57 -0.801 -9.233 0.409 1.00 74.25 H new ATOM 0 HG3 LYS A 57 -0.213 -10.386 1.590 1.00 74.25 H new ATOM 0 HD2 LYS A 57 -2.579 -10.631 2.468 1.00 14.45 H new ATOM 0 HD3 LYS A 57 -3.130 -9.561 1.194 1.00 14.45 H new ATOM 0 HE2 LYS A 57 -2.217 -11.158 -0.514 1.00 52.45 H new ATOM 0 HE3 LYS A 57 -1.728 -12.236 0.778 1.00 52.45 H new ATOM 0 HZ1 LYS A 57 -3.721 -13.147 0.525 1.00 41.24 H new ATOM 0 HZ2 LYS A 57 -4.358 -11.782 1.310 1.00 41.24 H new ATOM 0 HZ3 LYS A 57 -4.317 -11.844 -0.387 1.00 41.24 H new ATOM 989 N SER A 58 -3.259 -6.903 0.602 1.00 62.02 N ATOM 990 CA SER A 58 -4.660 -7.064 0.203 1.00 42.25 C ATOM 991 C SER A 58 -4.736 -7.254 -1.317 1.00 14.31 C ATOM 992 O SER A 58 -3.873 -6.783 -2.061 1.00 63.51 O ATOM 993 CB SER A 58 -5.496 -5.840 0.659 1.00 5.33 C ATOM 994 OG SER A 58 -6.869 -5.956 0.300 1.00 25.21 O ATOM 0 H SER A 58 -2.641 -6.647 -0.168 1.00 62.02 H new ATOM 0 HA SER A 58 -5.078 -7.947 0.687 1.00 42.25 H new ATOM 0 HB2 SER A 58 -5.414 -5.730 1.740 1.00 5.33 H new ATOM 0 HB3 SER A 58 -5.082 -4.935 0.214 1.00 5.33 H new ATOM 0 HG SER A 58 -7.138 -5.171 -0.222 1.00 25.21 H new ATOM 1000 N ASN A 59 -5.752 -8.001 -1.761 1.00 70.00 N ATOM 1001 CA ASN A 59 -6.074 -8.191 -3.194 1.00 11.22 C ATOM 1002 C ASN A 59 -7.458 -7.580 -3.493 1.00 43.34 C ATOM 1003 O ASN A 59 -8.013 -7.767 -4.582 1.00 51.40 O ATOM 1004 CB ASN A 59 -6.031 -9.701 -3.563 1.00 13.12 C ATOM 1005 CG ASN A 59 -4.665 -10.348 -3.286 1.00 22.14 C ATOM 1006 OD1 ASN A 59 -4.405 -10.822 -2.178 1.00 71.14 O ATOM 1007 ND2 ASN A 59 -3.779 -10.376 -4.276 1.00 71.21 N ATOM 0 H ASN A 59 -6.385 -8.499 -1.136 1.00 70.00 H new ATOM 0 HA ASN A 59 -5.330 -7.682 -3.806 1.00 11.22 H new ATOM 0 HB2 ASN A 59 -6.799 -10.230 -2.998 1.00 13.12 H new ATOM 0 HB3 ASN A 59 -6.275 -9.818 -4.619 1.00 13.12 H new ATOM 0 HD21 ASN A 59 -2.861 -10.796 -4.127 1.00 71.21 H new ATOM 0 HD22 ASN A 59 -4.017 -9.978 -5.184 1.00 71.21 H new ATOM 1014 N ASP A 60 -7.998 -6.825 -2.506 1.00 13.12 N ATOM 1015 CA ASP A 60 -9.302 -6.146 -2.600 1.00 2.22 C ATOM 1016 C ASP A 60 -9.100 -4.630 -2.453 1.00 50.11 C ATOM 1017 O ASP A 60 -8.874 -4.137 -1.340 1.00 61.32 O ATOM 1018 CB ASP A 60 -10.273 -6.654 -1.500 1.00 32.13 C ATOM 1019 CG ASP A 60 -10.611 -8.143 -1.632 1.00 74.44 C ATOM 1020 OD1 ASP A 60 -11.502 -8.492 -2.428 1.00 2.34 O ATOM 1021 OD2 ASP A 60 -9.995 -8.968 -0.934 1.00 43.22 O ATOM 0 H ASP A 60 -7.530 -6.672 -1.613 1.00 13.12 H new ATOM 0 HA ASP A 60 -9.741 -6.369 -3.573 1.00 2.22 H new ATOM 0 HB2 ASP A 60 -9.828 -6.475 -0.521 1.00 32.13 H new ATOM 0 HB3 ASP A 60 -11.195 -6.074 -1.542 1.00 32.13 H new ATOM 1026 N LYS A 61 -9.180 -3.911 -3.588 1.00 65.12 N ATOM 1027 CA LYS A 61 -9.023 -2.438 -3.662 1.00 51.50 C ATOM 1028 C LYS A 61 -10.062 -1.693 -2.786 1.00 42.24 C ATOM 1029 O LYS A 61 -9.812 -0.576 -2.328 1.00 21.33 O ATOM 1030 CB LYS A 61 -9.134 -1.984 -5.151 1.00 32.03 C ATOM 1031 CG LYS A 61 -10.511 -2.258 -5.802 1.00 72.34 C ATOM 1032 CD LYS A 61 -10.645 -1.717 -7.247 1.00 33.31 C ATOM 1033 CE LYS A 61 -12.033 -2.022 -7.847 1.00 4.11 C ATOM 1034 NZ LYS A 61 -12.181 -1.498 -9.228 1.00 51.51 N ATOM 0 H LYS A 61 -9.358 -4.340 -4.496 1.00 65.12 H new ATOM 0 HA LYS A 61 -8.040 -2.181 -3.269 1.00 51.50 H new ATOM 0 HB2 LYS A 61 -8.924 -0.916 -5.209 1.00 32.03 H new ATOM 0 HB3 LYS A 61 -8.364 -2.492 -5.731 1.00 32.03 H new ATOM 0 HG2 LYS A 61 -10.690 -3.333 -5.810 1.00 72.34 H new ATOM 0 HG3 LYS A 61 -11.289 -1.810 -5.184 1.00 72.34 H new ATOM 0 HD2 LYS A 61 -10.477 -0.640 -7.249 1.00 33.31 H new ATOM 0 HD3 LYS A 61 -9.872 -2.161 -7.874 1.00 33.31 H new ATOM 0 HE2 LYS A 61 -12.195 -3.100 -7.851 1.00 4.11 H new ATOM 0 HE3 LYS A 61 -12.804 -1.586 -7.212 1.00 4.11 H new ATOM 0 HZ1 LYS A 61 -12.753 -0.630 -9.210 1.00 51.51 H new ATOM 0 HZ2 LYS A 61 -11.242 -1.286 -9.621 1.00 51.51 H new ATOM 0 HZ3 LYS A 61 -12.652 -2.211 -9.821 1.00 51.51 H new ATOM 1048 N GLN A 62 -11.205 -2.367 -2.540 1.00 1.40 N ATOM 1049 CA GLN A 62 -12.341 -1.843 -1.754 1.00 61.11 C ATOM 1050 C GLN A 62 -11.937 -1.528 -0.295 1.00 41.54 C ATOM 1051 O GLN A 62 -12.254 -0.455 0.243 1.00 4.24 O ATOM 1052 CB GLN A 62 -13.499 -2.883 -1.783 1.00 61.03 C ATOM 1053 CG GLN A 62 -14.205 -3.028 -3.146 1.00 50.24 C ATOM 1054 CD GLN A 62 -14.957 -1.762 -3.569 1.00 71.21 C ATOM 1055 OE1 GLN A 62 -14.413 -0.891 -4.247 1.00 24.14 O ATOM 1056 NE2 GLN A 62 -16.209 -1.646 -3.150 1.00 42.30 N ATOM 0 H GLN A 62 -11.367 -3.311 -2.890 1.00 1.40 H new ATOM 0 HA GLN A 62 -12.669 -0.906 -2.204 1.00 61.11 H new ATOM 0 HB2 GLN A 62 -13.103 -3.855 -1.490 1.00 61.03 H new ATOM 0 HB3 GLN A 62 -14.240 -2.602 -1.034 1.00 61.03 H new ATOM 0 HG2 GLN A 62 -13.465 -3.276 -3.907 1.00 50.24 H new ATOM 0 HG3 GLN A 62 -14.906 -3.861 -3.099 1.00 50.24 H new ATOM 0 HE21 GLN A 62 -16.630 -2.387 -2.589 1.00 42.30 H new ATOM 0 HE22 GLN A 62 -16.752 -0.816 -3.388 1.00 42.30 H new ATOM 1065 N LEU A 63 -11.215 -2.482 0.309 1.00 22.12 N ATOM 1066 CA LEU A 63 -10.756 -2.403 1.707 1.00 0.53 C ATOM 1067 C LEU A 63 -9.752 -1.242 1.891 1.00 24.24 C ATOM 1068 O LEU A 63 -9.735 -0.583 2.933 1.00 22.42 O ATOM 1069 CB LEU A 63 -10.141 -3.769 2.122 1.00 43.23 C ATOM 1070 CG LEU A 63 -11.120 -4.992 2.034 1.00 31.42 C ATOM 1071 CD1 LEU A 63 -10.400 -6.322 2.320 1.00 52.03 C ATOM 1072 CD2 LEU A 63 -12.340 -4.804 2.969 1.00 72.22 C ATOM 0 H LEU A 63 -10.929 -3.340 -0.162 1.00 22.12 H new ATOM 0 HA LEU A 63 -11.605 -2.193 2.358 1.00 0.53 H new ATOM 0 HB2 LEU A 63 -9.277 -3.969 1.489 1.00 43.23 H new ATOM 0 HB3 LEU A 63 -9.774 -3.689 3.145 1.00 43.23 H new ATOM 0 HG LEU A 63 -11.488 -5.037 1.009 1.00 31.42 H new ATOM 0 HD11 LEU A 63 -11.112 -7.144 2.249 1.00 52.03 H new ATOM 0 HD12 LEU A 63 -9.603 -6.469 1.591 1.00 52.03 H new ATOM 0 HD13 LEU A 63 -9.974 -6.297 3.323 1.00 52.03 H new ATOM 0 HD21 LEU A 63 -12.999 -5.668 2.885 1.00 72.22 H new ATOM 0 HD22 LEU A 63 -11.997 -4.708 3.999 1.00 72.22 H new ATOM 0 HD23 LEU A 63 -12.883 -3.904 2.682 1.00 72.22 H new ATOM 1084 N LEU A 64 -8.955 -0.983 0.834 1.00 44.13 N ATOM 1085 CA LEU A 64 -7.969 0.117 0.816 1.00 11.32 C ATOM 1086 C LEU A 64 -8.672 1.478 0.741 1.00 1.32 C ATOM 1087 O LEU A 64 -8.210 2.428 1.355 1.00 20.01 O ATOM 1088 CB LEU A 64 -6.955 -0.027 -0.355 1.00 3.41 C ATOM 1089 CG LEU A 64 -5.862 -1.132 -0.183 1.00 53.30 C ATOM 1090 CD1 LEU A 64 -6.459 -2.541 -0.185 1.00 54.40 C ATOM 1091 CD2 LEU A 64 -4.776 -0.999 -1.250 1.00 22.34 C ATOM 0 H LEU A 64 -8.976 -1.528 -0.028 1.00 44.13 H new ATOM 0 HA LEU A 64 -7.409 0.058 1.749 1.00 11.32 H new ATOM 0 HB2 LEU A 64 -7.512 -0.234 -1.269 1.00 3.41 H new ATOM 0 HB3 LEU A 64 -6.455 0.931 -0.497 1.00 3.41 H new ATOM 0 HG LEU A 64 -5.405 -0.979 0.795 1.00 53.30 H new ATOM 0 HD11 LEU A 64 -5.662 -3.274 -0.063 1.00 54.40 H new ATOM 0 HD12 LEU A 64 -7.169 -2.637 0.637 1.00 54.40 H new ATOM 0 HD13 LEU A 64 -6.972 -2.717 -1.130 1.00 54.40 H new ATOM 0 HD21 LEU A 64 -4.028 -1.779 -1.108 1.00 22.34 H new ATOM 0 HD22 LEU A 64 -5.223 -1.101 -2.239 1.00 22.34 H new ATOM 0 HD23 LEU A 64 -4.301 -0.022 -1.166 1.00 22.34 H new ATOM 1103 N LYS A 65 -9.787 1.555 -0.015 1.00 2.10 N ATOM 1104 CA LYS A 65 -10.612 2.780 -0.117 1.00 70.04 C ATOM 1105 C LYS A 65 -11.103 3.211 1.267 1.00 32.13 C ATOM 1106 O LYS A 65 -10.828 4.330 1.706 1.00 13.22 O ATOM 1107 CB LYS A 65 -11.827 2.533 -1.048 1.00 3.52 C ATOM 1108 CG LYS A 65 -11.452 2.295 -2.515 1.00 25.15 C ATOM 1109 CD LYS A 65 -12.606 1.696 -3.349 1.00 73.34 C ATOM 1110 CE LYS A 65 -13.853 2.586 -3.420 1.00 41.42 C ATOM 1111 NZ LYS A 65 -14.907 1.963 -4.271 1.00 43.13 N ATOM 0 H LYS A 65 -10.140 0.775 -0.570 1.00 2.10 H new ATOM 0 HA LYS A 65 -9.995 3.575 -0.537 1.00 70.04 H new ATOM 0 HB2 LYS A 65 -12.383 1.670 -0.681 1.00 3.52 H new ATOM 0 HB3 LYS A 65 -12.496 3.391 -0.990 1.00 3.52 H new ATOM 0 HG2 LYS A 65 -11.142 3.240 -2.962 1.00 25.15 H new ATOM 0 HG3 LYS A 65 -10.594 1.624 -2.560 1.00 25.15 H new ATOM 0 HD2 LYS A 65 -12.249 1.508 -4.361 1.00 73.34 H new ATOM 0 HD3 LYS A 65 -12.885 0.731 -2.925 1.00 73.34 H new ATOM 0 HE2 LYS A 65 -14.243 2.752 -2.416 1.00 41.42 H new ATOM 0 HE3 LYS A 65 -13.585 3.562 -3.824 1.00 41.42 H new ATOM 0 HZ1 LYS A 65 -15.844 2.172 -3.872 1.00 43.13 H new ATOM 0 HZ2 LYS A 65 -14.848 2.349 -5.235 1.00 43.13 H new ATOM 0 HZ3 LYS A 65 -14.765 0.933 -4.301 1.00 43.13 H new ATOM 1125 N GLU A 66 -11.787 2.274 1.953 1.00 34.35 N ATOM 1126 CA GLU A 66 -12.366 2.501 3.296 1.00 75.33 C ATOM 1127 C GLU A 66 -11.275 2.874 4.320 1.00 14.04 C ATOM 1128 O GLU A 66 -11.491 3.717 5.201 1.00 62.31 O ATOM 1129 CB GLU A 66 -13.122 1.238 3.767 1.00 42.44 C ATOM 1130 CG GLU A 66 -14.191 0.736 2.784 1.00 44.50 C ATOM 1131 CD GLU A 66 -14.921 -0.510 3.298 1.00 14.00 C ATOM 1132 OE1 GLU A 66 -14.383 -1.630 3.148 1.00 43.03 O ATOM 1133 OE2 GLU A 66 -16.029 -0.374 3.863 1.00 63.21 O ATOM 0 H GLU A 66 -11.955 1.335 1.592 1.00 34.35 H new ATOM 0 HA GLU A 66 -13.064 3.335 3.226 1.00 75.33 H new ATOM 0 HB2 GLU A 66 -12.400 0.440 3.939 1.00 42.44 H new ATOM 0 HB3 GLU A 66 -13.597 1.450 4.725 1.00 42.44 H new ATOM 0 HG2 GLU A 66 -14.916 1.530 2.604 1.00 44.50 H new ATOM 0 HG3 GLU A 66 -13.722 0.509 1.826 1.00 44.50 H new ATOM 1140 N MET A 67 -10.100 2.234 4.163 1.00 71.11 N ATOM 1141 CA MET A 67 -8.913 2.495 4.985 1.00 33.03 C ATOM 1142 C MET A 67 -8.440 3.958 4.800 1.00 51.13 C ATOM 1143 O MET A 67 -8.322 4.708 5.772 1.00 54.53 O ATOM 1144 CB MET A 67 -7.776 1.505 4.595 1.00 72.44 C ATOM 1145 CG MET A 67 -6.526 1.589 5.475 1.00 23.24 C ATOM 1146 SD MET A 67 -5.128 0.654 4.831 1.00 13.40 S ATOM 1147 CE MET A 67 -5.743 -1.028 4.863 1.00 24.01 C ATOM 0 H MET A 67 -9.952 1.516 3.454 1.00 71.11 H new ATOM 0 HA MET A 67 -9.169 2.347 6.034 1.00 33.03 H new ATOM 0 HB2 MET A 67 -8.167 0.488 4.639 1.00 72.44 H new ATOM 0 HB3 MET A 67 -7.489 1.692 3.560 1.00 72.44 H new ATOM 0 HG2 MET A 67 -6.236 2.634 5.581 1.00 23.24 H new ATOM 0 HG3 MET A 67 -6.769 1.223 6.473 1.00 23.24 H new ATOM 0 HE1 MET A 67 -5.096 -1.640 5.492 1.00 24.01 H new ATOM 0 HE2 MET A 67 -6.756 -1.038 5.266 1.00 24.01 H new ATOM 0 HE3 MET A 67 -5.752 -1.432 3.850 1.00 24.01 H new ATOM 1157 N LEU A 68 -8.255 4.356 3.521 1.00 3.12 N ATOM 1158 CA LEU A 68 -7.697 5.672 3.126 1.00 72.11 C ATOM 1159 C LEU A 68 -8.655 6.833 3.454 1.00 3.15 C ATOM 1160 O LEU A 68 -8.205 7.969 3.626 1.00 24.11 O ATOM 1161 CB LEU A 68 -7.332 5.668 1.611 1.00 61.33 C ATOM 1162 CG LEU A 68 -6.119 4.763 1.211 1.00 31.04 C ATOM 1163 CD1 LEU A 68 -5.978 4.631 -0.321 1.00 24.02 C ATOM 1164 CD2 LEU A 68 -4.811 5.276 1.845 1.00 71.22 C ATOM 0 H LEU A 68 -8.492 3.766 2.723 1.00 3.12 H new ATOM 0 HA LEU A 68 -6.791 5.834 3.710 1.00 72.11 H new ATOM 0 HB2 LEU A 68 -8.206 5.344 1.046 1.00 61.33 H new ATOM 0 HB3 LEU A 68 -7.115 6.691 1.305 1.00 61.33 H new ATOM 0 HG LEU A 68 -6.318 3.766 1.604 1.00 31.04 H new ATOM 0 HD11 LEU A 68 -5.124 3.995 -0.554 1.00 24.02 H new ATOM 0 HD12 LEU A 68 -6.884 4.187 -0.733 1.00 24.02 H new ATOM 0 HD13 LEU A 68 -5.826 5.618 -0.759 1.00 24.02 H new ATOM 0 HD21 LEU A 68 -3.985 4.628 1.550 1.00 71.22 H new ATOM 0 HD22 LEU A 68 -4.615 6.292 1.503 1.00 71.22 H new ATOM 0 HD23 LEU A 68 -4.906 5.271 2.931 1.00 71.22 H new ATOM 1176 N GLU A 69 -9.966 6.540 3.538 1.00 53.43 N ATOM 1177 CA GLU A 69 -10.972 7.524 3.991 1.00 3.25 C ATOM 1178 C GLU A 69 -10.671 7.957 5.442 1.00 64.43 C ATOM 1179 O GLU A 69 -10.726 9.138 5.778 1.00 45.42 O ATOM 1180 CB GLU A 69 -12.411 6.936 3.896 1.00 52.35 C ATOM 1181 CG GLU A 69 -12.906 6.663 2.462 1.00 34.11 C ATOM 1182 CD GLU A 69 -12.975 7.929 1.582 1.00 54.44 C ATOM 1183 OE1 GLU A 69 -13.718 8.872 1.939 1.00 4.05 O ATOM 1184 OE2 GLU A 69 -12.284 7.993 0.540 1.00 33.12 O ATOM 0 H GLU A 69 -10.356 5.628 3.298 1.00 53.43 H new ATOM 0 HA GLU A 69 -10.917 8.395 3.338 1.00 3.25 H new ATOM 0 HB2 GLU A 69 -12.445 6.004 4.460 1.00 52.35 H new ATOM 0 HB3 GLU A 69 -13.103 7.626 4.379 1.00 52.35 H new ATOM 0 HG2 GLU A 69 -12.244 5.938 1.990 1.00 34.11 H new ATOM 0 HG3 GLU A 69 -13.895 6.208 2.508 1.00 34.11 H new ATOM 1191 N LEU A 70 -10.313 6.969 6.280 1.00 75.24 N ATOM 1192 CA LEU A 70 -10.034 7.172 7.717 1.00 41.32 C ATOM 1193 C LEU A 70 -8.582 7.647 7.963 1.00 13.44 C ATOM 1194 O LEU A 70 -8.307 8.328 8.959 1.00 72.35 O ATOM 1195 CB LEU A 70 -10.338 5.855 8.471 1.00 12.25 C ATOM 1196 CG LEU A 70 -11.798 5.318 8.310 1.00 53.10 C ATOM 1197 CD1 LEU A 70 -11.966 3.924 8.952 1.00 45.51 C ATOM 1198 CD2 LEU A 70 -12.823 6.334 8.866 1.00 23.05 C ATOM 0 H LEU A 70 -10.208 6.000 5.980 1.00 75.24 H new ATOM 0 HA LEU A 70 -10.678 7.965 8.097 1.00 41.32 H new ATOM 0 HB2 LEU A 70 -9.645 5.088 8.124 1.00 12.25 H new ATOM 0 HB3 LEU A 70 -10.139 6.008 9.532 1.00 12.25 H new ATOM 0 HG LEU A 70 -11.995 5.200 7.244 1.00 53.10 H new ATOM 0 HD11 LEU A 70 -12.993 3.584 8.820 1.00 45.51 H new ATOM 0 HD12 LEU A 70 -11.286 3.219 8.474 1.00 45.51 H new ATOM 0 HD13 LEU A 70 -11.737 3.984 10.016 1.00 45.51 H new ATOM 0 HD21 LEU A 70 -13.831 5.938 8.743 1.00 23.05 H new ATOM 0 HD22 LEU A 70 -12.627 6.506 9.924 1.00 23.05 H new ATOM 0 HD23 LEU A 70 -12.734 7.275 8.323 1.00 23.05 H new ATOM 1210 N ILE A 71 -7.661 7.286 7.043 1.00 50.42 N ATOM 1211 CA ILE A 71 -6.263 7.773 7.064 1.00 74.30 C ATOM 1212 C ILE A 71 -6.215 9.271 6.687 1.00 41.53 C ATOM 1213 O ILE A 71 -5.354 10.012 7.170 1.00 45.33 O ATOM 1214 CB ILE A 71 -5.335 6.939 6.094 1.00 30.44 C ATOM 1215 CG1 ILE A 71 -5.256 5.442 6.534 1.00 12.41 C ATOM 1216 CG2 ILE A 71 -3.914 7.548 5.999 1.00 54.22 C ATOM 1217 CD1 ILE A 71 -4.441 4.553 5.605 1.00 12.22 C ATOM 0 H ILE A 71 -7.863 6.653 6.269 1.00 50.42 H new ATOM 0 HA ILE A 71 -5.884 7.642 8.078 1.00 74.30 H new ATOM 0 HB ILE A 71 -5.787 6.983 5.103 1.00 30.44 H new ATOM 0 HG12 ILE A 71 -4.825 5.393 7.534 1.00 12.41 H new ATOM 0 HG13 ILE A 71 -6.268 5.043 6.603 1.00 12.41 H new ATOM 0 HG21 ILE A 71 -3.305 6.947 5.323 1.00 54.22 H new ATOM 0 HG22 ILE A 71 -3.980 8.567 5.619 1.00 54.22 H new ATOM 0 HG23 ILE A 71 -3.456 7.558 6.988 1.00 54.22 H new ATOM 0 HD11 ILE A 71 -4.440 3.532 5.987 1.00 12.22 H new ATOM 0 HD12 ILE A 71 -4.882 4.567 4.608 1.00 12.22 H new ATOM 0 HD13 ILE A 71 -3.417 4.922 5.554 1.00 12.22 H new ATOM 1229 N SER A 72 -7.180 9.706 5.849 1.00 0.15 N ATOM 1230 CA SER A 72 -7.304 11.111 5.408 1.00 61.31 C ATOM 1231 C SER A 72 -7.472 12.075 6.609 1.00 61.25 C ATOM 1232 O SER A 72 -7.098 13.245 6.528 1.00 21.22 O ATOM 1233 CB SER A 72 -8.489 11.237 4.424 1.00 12.51 C ATOM 1234 OG SER A 72 -8.627 12.555 3.932 1.00 43.40 O ATOM 0 H SER A 72 -7.895 9.092 5.459 1.00 0.15 H new ATOM 0 HA SER A 72 -6.384 11.398 4.900 1.00 61.31 H new ATOM 0 HB2 SER A 72 -8.342 10.551 3.589 1.00 12.51 H new ATOM 0 HB3 SER A 72 -9.410 10.938 4.924 1.00 12.51 H new ATOM 0 HG SER A 72 -9.385 12.595 3.312 1.00 43.40 H new ATOM 1240 N LYS A 73 -8.001 11.544 7.731 1.00 75.40 N ATOM 1241 CA LYS A 73 -8.199 12.308 8.983 1.00 51.14 C ATOM 1242 C LYS A 73 -6.845 12.525 9.694 1.00 55.10 C ATOM 1243 O LYS A 73 -6.604 13.568 10.305 1.00 43.44 O ATOM 1244 CB LYS A 73 -9.185 11.537 9.917 1.00 45.43 C ATOM 1245 CG LYS A 73 -10.442 10.995 9.196 1.00 51.42 C ATOM 1246 CD LYS A 73 -11.311 12.110 8.540 1.00 33.12 C ATOM 1247 CE LYS A 73 -11.907 11.681 7.193 1.00 73.44 C ATOM 1248 NZ LYS A 73 -12.771 12.729 6.603 1.00 21.33 N ATOM 0 H LYS A 73 -8.304 10.572 7.796 1.00 75.40 H new ATOM 0 HA LYS A 73 -8.624 13.283 8.745 1.00 51.14 H new ATOM 0 HB2 LYS A 73 -8.655 10.703 10.378 1.00 45.43 H new ATOM 0 HB3 LYS A 73 -9.499 12.200 10.723 1.00 45.43 H new ATOM 0 HG2 LYS A 73 -10.133 10.287 8.427 1.00 51.42 H new ATOM 0 HG3 LYS A 73 -11.052 10.443 9.911 1.00 51.42 H new ATOM 0 HD2 LYS A 73 -12.118 12.382 9.220 1.00 33.12 H new ATOM 0 HD3 LYS A 73 -10.701 13.002 8.395 1.00 33.12 H new ATOM 0 HE2 LYS A 73 -11.100 11.445 6.499 1.00 73.44 H new ATOM 0 HE3 LYS A 73 -12.487 10.768 7.329 1.00 73.44 H new ATOM 0 HZ1 LYS A 73 -13.151 12.395 5.694 1.00 21.33 H new ATOM 0 HZ2 LYS A 73 -13.557 12.937 7.252 1.00 21.33 H new ATOM 0 HZ3 LYS A 73 -12.213 13.593 6.448 1.00 21.33 H new ATOM 1262 N LEU A 74 -5.967 11.518 9.562 1.00 43.21 N ATOM 1263 CA LEU A 74 -4.667 11.452 10.251 1.00 54.11 C ATOM 1264 C LEU A 74 -3.609 12.327 9.553 1.00 14.22 C ATOM 1265 O LEU A 74 -2.931 13.131 10.205 1.00 41.11 O ATOM 1266 CB LEU A 74 -4.202 9.974 10.282 1.00 4.02 C ATOM 1267 CG LEU A 74 -5.213 8.969 10.912 1.00 33.13 C ATOM 1268 CD1 LEU A 74 -4.786 7.513 10.651 1.00 23.20 C ATOM 1269 CD2 LEU A 74 -5.410 9.245 12.419 1.00 4.50 C ATOM 0 H LEU A 74 -6.143 10.712 8.963 1.00 43.21 H new ATOM 0 HA LEU A 74 -4.784 11.835 11.265 1.00 54.11 H new ATOM 0 HB2 LEU A 74 -3.988 9.657 9.261 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -3.265 9.917 10.837 1.00 4.02 H new ATOM 0 HG LEU A 74 -6.178 9.117 10.427 1.00 33.13 H new ATOM 0 HD11 LEU A 74 -5.510 6.835 11.102 1.00 23.20 H new ATOM 0 HD12 LEU A 74 -4.742 7.334 9.577 1.00 23.20 H new ATOM 0 HD13 LEU A 74 -3.803 7.338 11.089 1.00 23.20 H new ATOM 0 HD21 LEU A 74 -6.121 8.528 12.830 1.00 4.50 H new ATOM 0 HD22 LEU A 74 -4.455 9.146 12.935 1.00 4.50 H new ATOM 0 HD23 LEU A 74 -5.794 10.256 12.557 1.00 4.50 H new ATOM 1281 N GLY A 75 -3.486 12.158 8.224 1.00 3.51 N ATOM 1282 CA GLY A 75 -2.546 12.934 7.422 1.00 4.13 C ATOM 1283 C GLY A 75 -1.101 12.454 7.559 1.00 64.54 C ATOM 1284 O GLY A 75 -0.372 12.923 8.437 1.00 24.44 O ATOM 0 H GLY A 75 -4.033 11.485 7.688 1.00 3.51 H new ATOM 0 HA2 GLY A 75 -2.842 12.882 6.374 1.00 4.13 H new ATOM 0 HA3 GLY A 75 -2.604 13.982 7.718 1.00 4.13 H new ATOM 1288 N TYR A 76 -0.706 11.496 6.698 1.00 11.25 N ATOM 1289 CA TYR A 76 0.696 11.034 6.571 1.00 75.32 C ATOM 1290 C TYR A 76 0.916 10.309 5.231 1.00 54.45 C ATOM 1291 O TYR A 76 -0.039 10.062 4.477 1.00 55.22 O ATOM 1292 CB TYR A 76 1.139 10.129 7.769 1.00 52.10 C ATOM 1293 CG TYR A 76 0.222 8.939 8.120 1.00 23.23 C ATOM 1294 CD1 TYR A 76 0.143 7.807 7.307 1.00 1.11 C ATOM 1295 CD2 TYR A 76 -0.541 8.943 9.288 1.00 52.00 C ATOM 1296 CE1 TYR A 76 -0.666 6.738 7.646 1.00 30.23 C ATOM 1297 CE2 TYR A 76 -1.342 7.872 9.628 1.00 0.31 C ATOM 1298 CZ TYR A 76 -1.404 6.775 8.807 1.00 3.53 C ATOM 1299 OH TYR A 76 -2.213 5.708 9.150 1.00 61.51 O ATOM 0 H TYR A 76 -1.350 11.018 6.068 1.00 11.25 H new ATOM 0 HA TYR A 76 1.324 11.924 6.595 1.00 75.32 H new ATOM 0 HB2 TYR A 76 2.133 9.739 7.550 1.00 52.10 H new ATOM 0 HB3 TYR A 76 1.232 10.759 8.654 1.00 52.10 H new ATOM 0 HD1 TYR A 76 0.724 7.765 6.397 1.00 1.11 H new ATOM 0 HD2 TYR A 76 -0.504 9.803 9.940 1.00 52.00 H new ATOM 0 HE1 TYR A 76 -0.719 5.874 7.000 1.00 30.23 H new ATOM 0 HE2 TYR A 76 -1.920 7.898 10.540 1.00 0.31 H new ATOM 0 HH TYR A 76 -2.473 5.784 10.092 1.00 61.51 H new ATOM 1309 N LYS A 77 2.196 9.967 4.964 1.00 13.02 N ATOM 1310 CA LYS A 77 2.616 9.251 3.751 1.00 44.43 C ATOM 1311 C LYS A 77 2.170 7.783 3.786 1.00 51.15 C ATOM 1312 O LYS A 77 2.634 6.988 4.617 1.00 2.35 O ATOM 1313 CB LYS A 77 4.156 9.338 3.549 1.00 14.14 C ATOM 1314 CG LYS A 77 4.667 10.704 3.043 1.00 53.04 C ATOM 1315 CD LYS A 77 4.221 11.014 1.594 1.00 30.23 C ATOM 1316 CE LYS A 77 4.765 12.360 1.084 1.00 43.43 C ATOM 1317 NZ LYS A 77 4.293 13.506 1.908 1.00 11.25 N ATOM 0 H LYS A 77 2.969 10.185 5.593 1.00 13.02 H new ATOM 0 HA LYS A 77 2.129 9.738 2.906 1.00 44.43 H new ATOM 0 HB2 LYS A 77 4.646 9.111 4.496 1.00 14.14 H new ATOM 0 HB3 LYS A 77 4.459 8.567 2.840 1.00 14.14 H new ATOM 0 HG2 LYS A 77 4.305 11.490 3.705 1.00 53.04 H new ATOM 0 HG3 LYS A 77 5.756 10.721 3.094 1.00 53.04 H new ATOM 0 HD2 LYS A 77 4.560 10.215 0.934 1.00 30.23 H new ATOM 0 HD3 LYS A 77 3.132 11.025 1.547 1.00 30.23 H new ATOM 0 HE2 LYS A 77 5.855 12.335 1.090 1.00 43.43 H new ATOM 0 HE3 LYS A 77 4.455 12.507 0.049 1.00 43.43 H new ATOM 0 HZ1 LYS A 77 4.585 14.398 1.461 1.00 11.25 H new ATOM 0 HZ2 LYS A 77 3.256 13.478 1.980 1.00 11.25 H new ATOM 0 HZ3 LYS A 77 4.708 13.444 2.860 1.00 11.25 H new ATOM 1331 N VAL A 78 1.222 7.466 2.899 1.00 70.54 N ATOM 1332 CA VAL A 78 0.849 6.096 2.555 1.00 74.00 C ATOM 1333 C VAL A 78 1.277 5.852 1.107 1.00 41.31 C ATOM 1334 O VAL A 78 0.905 6.616 0.201 1.00 4.44 O ATOM 1335 CB VAL A 78 -0.690 5.830 2.716 1.00 72.33 C ATOM 1336 CG1 VAL A 78 -1.054 4.377 2.344 1.00 24.42 C ATOM 1337 CG2 VAL A 78 -1.147 6.162 4.148 1.00 21.44 C ATOM 0 H VAL A 78 0.684 8.169 2.392 1.00 70.54 H new ATOM 0 HA VAL A 78 1.350 5.411 3.240 1.00 74.00 H new ATOM 0 HB VAL A 78 -1.218 6.486 2.024 1.00 72.33 H new ATOM 0 HG11 VAL A 78 -2.127 4.228 2.467 1.00 24.42 H new ATOM 0 HG12 VAL A 78 -0.778 4.187 1.307 1.00 24.42 H new ATOM 0 HG13 VAL A 78 -0.515 3.689 2.995 1.00 24.42 H new ATOM 0 HG21 VAL A 78 -2.216 5.972 4.242 1.00 21.44 H new ATOM 0 HG22 VAL A 78 -0.604 5.538 4.857 1.00 21.44 H new ATOM 0 HG23 VAL A 78 -0.945 7.212 4.360 1.00 21.44 H new ATOM 1347 N PHE A 79 2.077 4.804 0.905 1.00 32.40 N ATOM 1348 CA PHE A 79 2.633 4.450 -0.394 1.00 32.11 C ATOM 1349 C PHE A 79 1.812 3.294 -0.966 1.00 63.31 C ATOM 1350 O PHE A 79 1.909 2.169 -0.489 1.00 50.44 O ATOM 1351 CB PHE A 79 4.113 4.037 -0.209 1.00 41.23 C ATOM 1352 CG PHE A 79 4.972 5.088 0.501 1.00 34.25 C ATOM 1353 CD1 PHE A 79 5.462 6.189 -0.194 1.00 73.22 C ATOM 1354 CD2 PHE A 79 5.274 4.981 1.863 1.00 71.20 C ATOM 1355 CE1 PHE A 79 6.238 7.139 0.439 1.00 51.44 C ATOM 1356 CE2 PHE A 79 6.049 5.934 2.493 1.00 51.43 C ATOM 1357 CZ PHE A 79 6.526 7.016 1.779 1.00 53.02 C ATOM 0 H PHE A 79 2.359 4.170 1.653 1.00 32.40 H new ATOM 0 HA PHE A 79 2.592 5.294 -1.083 1.00 32.11 H new ATOM 0 HB2 PHE A 79 4.151 3.108 0.360 1.00 41.23 H new ATOM 0 HB3 PHE A 79 4.546 3.830 -1.188 1.00 41.23 H new ATOM 0 HD1 PHE A 79 5.232 6.302 -1.243 1.00 73.22 H new ATOM 0 HD2 PHE A 79 4.896 4.142 2.429 1.00 71.20 H new ATOM 0 HE1 PHE A 79 6.620 7.981 -0.119 1.00 51.44 H new ATOM 0 HE2 PHE A 79 6.282 5.834 3.543 1.00 51.43 H new ATOM 0 HZ PHE A 79 7.126 7.766 2.273 1.00 53.02 H new ATOM 1367 N LEU A 80 0.998 3.578 -1.977 1.00 74.33 N ATOM 1368 CA LEU A 80 0.115 2.582 -2.589 1.00 23.10 C ATOM 1369 C LEU A 80 0.690 2.147 -3.937 1.00 4.32 C ATOM 1370 O LEU A 80 1.092 2.974 -4.755 1.00 43.34 O ATOM 1371 CB LEU A 80 -1.331 3.140 -2.725 1.00 51.23 C ATOM 1372 CG LEU A 80 -2.356 2.274 -3.550 1.00 22.32 C ATOM 1373 CD1 LEU A 80 -2.433 0.819 -3.058 1.00 3.03 C ATOM 1374 CD2 LEU A 80 -3.752 2.930 -3.561 1.00 20.22 C ATOM 0 H LEU A 80 0.929 4.504 -2.398 1.00 74.33 H new ATOM 0 HA LEU A 80 0.057 1.703 -1.946 1.00 23.10 H new ATOM 0 HB2 LEU A 80 -1.736 3.281 -1.723 1.00 51.23 H new ATOM 0 HB3 LEU A 80 -1.272 4.126 -3.186 1.00 51.23 H new ATOM 0 HG LEU A 80 -1.983 2.239 -4.574 1.00 22.32 H new ATOM 0 HD11 LEU A 80 -3.154 0.268 -3.662 1.00 3.03 H new ATOM 0 HD12 LEU A 80 -1.452 0.352 -3.148 1.00 3.03 H new ATOM 0 HD13 LEU A 80 -2.747 0.804 -2.014 1.00 3.03 H new ATOM 0 HD21 LEU A 80 -4.440 2.312 -4.137 1.00 20.22 H new ATOM 0 HD22 LEU A 80 -4.118 3.024 -2.539 1.00 20.22 H new ATOM 0 HD23 LEU A 80 -3.686 3.919 -4.015 1.00 20.22 H new ATOM 1386 N LEU A 81 0.735 0.829 -4.139 1.00 13.44 N ATOM 1387 CA LEU A 81 1.170 0.216 -5.384 1.00 12.42 C ATOM 1388 C LEU A 81 0.060 -0.696 -5.904 1.00 11.51 C ATOM 1389 O LEU A 81 -0.446 -1.558 -5.174 1.00 70.13 O ATOM 1390 CB LEU A 81 2.470 -0.592 -5.181 1.00 20.14 C ATOM 1391 CG LEU A 81 3.098 -1.200 -6.477 1.00 63.01 C ATOM 1392 CD1 LEU A 81 3.434 -0.107 -7.513 1.00 3.31 C ATOM 1393 CD2 LEU A 81 4.332 -2.054 -6.132 1.00 22.11 C ATOM 0 H LEU A 81 0.465 0.151 -3.427 1.00 13.44 H new ATOM 0 HA LEU A 81 1.376 1.001 -6.111 1.00 12.42 H new ATOM 0 HB2 LEU A 81 3.209 0.056 -4.710 1.00 20.14 H new ATOM 0 HB3 LEU A 81 2.267 -1.404 -4.482 1.00 20.14 H new ATOM 0 HG LEU A 81 2.355 -1.853 -6.936 1.00 63.01 H new ATOM 0 HD11 LEU A 81 3.869 -0.568 -8.400 1.00 3.31 H new ATOM 0 HD12 LEU A 81 2.523 0.425 -7.789 1.00 3.31 H new ATOM 0 HD13 LEU A 81 4.148 0.595 -7.082 1.00 3.31 H new ATOM 0 HD21 LEU A 81 4.755 -2.469 -7.047 1.00 22.11 H new ATOM 0 HD22 LEU A 81 5.078 -1.432 -5.637 1.00 22.11 H new ATOM 0 HD23 LEU A 81 4.038 -2.867 -5.468 1.00 22.11 H new ATOM 1405 N LEU A 82 -0.321 -0.473 -7.162 1.00 1.40 N ATOM 1406 CA LEU A 82 -1.289 -1.299 -7.888 1.00 73.41 C ATOM 1407 C LEU A 82 -0.550 -2.049 -8.996 1.00 64.41 C ATOM 1408 O LEU A 82 0.348 -1.474 -9.613 1.00 14.13 O ATOM 1409 CB LEU A 82 -2.381 -0.395 -8.497 1.00 22.25 C ATOM 1410 CG LEU A 82 -3.161 0.502 -7.493 1.00 72.32 C ATOM 1411 CD1 LEU A 82 -4.094 1.462 -8.243 1.00 51.53 C ATOM 1412 CD2 LEU A 82 -3.935 -0.347 -6.459 1.00 4.45 C ATOM 0 H LEU A 82 0.041 0.302 -7.717 1.00 1.40 H new ATOM 0 HA LEU A 82 -1.761 -2.012 -7.213 1.00 73.41 H new ATOM 0 HB2 LEU A 82 -1.917 0.249 -9.244 1.00 22.25 H new ATOM 0 HB3 LEU A 82 -3.097 -1.027 -9.022 1.00 22.25 H new ATOM 0 HG LEU A 82 -2.437 1.098 -6.938 1.00 72.32 H new ATOM 0 HD11 LEU A 82 -4.632 2.082 -7.525 1.00 51.53 H new ATOM 0 HD12 LEU A 82 -3.506 2.099 -8.904 1.00 51.53 H new ATOM 0 HD13 LEU A 82 -4.808 0.888 -8.834 1.00 51.53 H new ATOM 0 HD21 LEU A 82 -4.468 0.312 -5.774 1.00 4.45 H new ATOM 0 HD22 LEU A 82 -4.649 -0.988 -6.976 1.00 4.45 H new ATOM 0 HD23 LEU A 82 -3.234 -0.964 -5.897 1.00 4.45 H new ATOM 1424 N ALA A 83 -0.927 -3.311 -9.255 1.00 51.33 N ATOM 1425 CA ALA A 83 -0.288 -4.121 -10.309 1.00 34.33 C ATOM 1426 C ALA A 83 -1.292 -5.092 -10.944 1.00 5.31 C ATOM 1427 O ALA A 83 -1.940 -5.876 -10.249 1.00 23.33 O ATOM 1428 CB ALA A 83 0.921 -4.862 -9.753 1.00 52.45 C ATOM 0 H ALA A 83 -1.670 -3.794 -8.750 1.00 51.33 H new ATOM 0 HA ALA A 83 0.058 -3.449 -11.094 1.00 34.33 H new ATOM 0 HB1 ALA A 83 1.380 -5.455 -10.544 1.00 52.45 H new ATOM 0 HB2 ALA A 83 1.645 -4.142 -9.372 1.00 52.45 H new ATOM 0 HB3 ALA A 83 0.604 -5.520 -8.944 1.00 52.45 H new ATOM 1434 N ASP A 84 -1.415 -4.982 -12.270 1.00 54.12 N ATOM 1435 CA ASP A 84 -2.278 -5.816 -13.125 1.00 42.33 C ATOM 1436 C ASP A 84 -2.067 -5.373 -14.580 1.00 74.44 C ATOM 1437 O ASP A 84 -1.674 -4.226 -14.821 1.00 22.41 O ATOM 1438 CB ASP A 84 -3.789 -5.705 -12.733 1.00 13.13 C ATOM 1439 CG ASP A 84 -4.727 -6.500 -13.659 1.00 11.52 C ATOM 1440 OD1 ASP A 84 -4.546 -7.724 -13.783 1.00 50.25 O ATOM 1441 OD2 ASP A 84 -5.613 -5.906 -14.295 1.00 2.14 O ATOM 0 H ASP A 84 -0.897 -4.283 -12.802 1.00 54.12 H new ATOM 0 HA ASP A 84 -2.004 -6.863 -12.993 1.00 42.33 H new ATOM 0 HB2 ASP A 84 -3.917 -6.059 -11.710 1.00 13.13 H new ATOM 0 HB3 ASP A 84 -4.083 -4.655 -12.747 1.00 13.13 H new ATOM 1446 N GLN A 85 -2.343 -6.285 -15.534 1.00 54.43 N ATOM 1447 CA GLN A 85 -2.162 -6.037 -16.975 1.00 1.25 C ATOM 1448 C GLN A 85 -3.061 -4.889 -17.467 1.00 41.24 C ATOM 1449 O GLN A 85 -2.633 -4.069 -18.294 1.00 5.13 O ATOM 1450 CB GLN A 85 -2.456 -7.321 -17.783 1.00 5.11 C ATOM 1451 CG GLN A 85 -1.583 -8.529 -17.401 1.00 53.25 C ATOM 1452 CD GLN A 85 -1.787 -9.716 -18.344 1.00 75.04 C ATOM 1453 OE1 GLN A 85 -2.661 -10.557 -18.132 1.00 72.24 O ATOM 1454 NE2 GLN A 85 -0.986 -9.799 -19.392 1.00 30.35 N ATOM 0 H GLN A 85 -2.699 -7.217 -15.324 1.00 54.43 H new ATOM 0 HA GLN A 85 -1.124 -5.744 -17.132 1.00 1.25 H new ATOM 0 HB2 GLN A 85 -3.504 -7.589 -17.647 1.00 5.11 H new ATOM 0 HB3 GLN A 85 -2.316 -7.108 -18.843 1.00 5.11 H new ATOM 0 HG2 GLN A 85 -0.534 -8.234 -17.414 1.00 53.25 H new ATOM 0 HG3 GLN A 85 -1.816 -8.834 -16.381 1.00 53.25 H new ATOM 0 HE21 GLN A 85 -0.270 -9.089 -19.544 1.00 30.35 H new ATOM 0 HE22 GLN A 85 -1.084 -10.573 -20.049 1.00 30.35 H new ATOM 1463 N ASP A 86 -4.306 -4.837 -16.943 1.00 43.13 N ATOM 1464 CA ASP A 86 -5.252 -3.757 -17.270 1.00 3.44 C ATOM 1465 C ASP A 86 -4.849 -2.519 -16.460 1.00 72.02 C ATOM 1466 O ASP A 86 -5.268 -2.337 -15.303 1.00 51.32 O ATOM 1467 CB ASP A 86 -6.730 -4.157 -16.986 1.00 12.42 C ATOM 1468 CG ASP A 86 -7.750 -3.269 -17.729 1.00 4.52 C ATOM 1469 OD1 ASP A 86 -7.842 -2.066 -17.441 1.00 64.14 O ATOM 1470 OD2 ASP A 86 -8.457 -3.771 -18.627 1.00 22.22 O ATOM 0 H ASP A 86 -4.675 -5.531 -16.293 1.00 43.13 H new ATOM 0 HA ASP A 86 -5.202 -3.547 -18.338 1.00 3.44 H new ATOM 0 HB2 ASP A 86 -6.881 -5.196 -17.278 1.00 12.42 H new ATOM 0 HB3 ASP A 86 -6.917 -4.096 -15.914 1.00 12.42 H new ATOM 1475 N GLU A 87 -3.986 -1.699 -17.074 1.00 23.34 N ATOM 1476 CA GLU A 87 -3.441 -0.483 -16.455 1.00 21.33 C ATOM 1477 C GLU A 87 -4.545 0.571 -16.223 1.00 44.22 C ATOM 1478 O GLU A 87 -4.405 1.430 -15.358 1.00 61.15 O ATOM 1479 CB GLU A 87 -2.316 0.111 -17.345 1.00 72.21 C ATOM 1480 CG GLU A 87 -2.796 0.740 -18.668 1.00 62.01 C ATOM 1481 CD GLU A 87 -1.678 1.444 -19.440 1.00 73.00 C ATOM 1482 OE1 GLU A 87 -1.269 2.550 -19.021 1.00 25.43 O ATOM 1483 OE2 GLU A 87 -1.191 0.890 -20.448 1.00 23.42 O ATOM 0 H GLU A 87 -3.644 -1.862 -18.021 1.00 23.34 H new ATOM 0 HA GLU A 87 -3.026 -0.756 -15.485 1.00 21.33 H new ATOM 0 HB2 GLU A 87 -1.782 0.869 -16.772 1.00 72.21 H new ATOM 0 HB3 GLU A 87 -1.600 -0.678 -17.574 1.00 72.21 H new ATOM 0 HG2 GLU A 87 -3.229 -0.038 -19.297 1.00 62.01 H new ATOM 0 HG3 GLU A 87 -3.589 1.457 -18.456 1.00 62.01 H new ATOM 1490 N ASN A 88 -5.639 0.455 -17.001 1.00 41.51 N ATOM 1491 CA ASN A 88 -6.748 1.417 -17.014 1.00 32.23 C ATOM 1492 C ASN A 88 -7.643 1.241 -15.778 1.00 71.41 C ATOM 1493 O ASN A 88 -8.104 2.230 -15.209 1.00 52.22 O ATOM 1494 CB ASN A 88 -7.562 1.261 -18.321 1.00 45.35 C ATOM 1495 CG ASN A 88 -8.747 2.228 -18.422 1.00 23.13 C ATOM 1496 OD1 ASN A 88 -9.871 1.895 -18.045 1.00 74.11 O ATOM 1497 ND2 ASN A 88 -8.504 3.434 -18.906 1.00 72.33 N ATOM 0 H ASN A 88 -5.775 -0.323 -17.646 1.00 41.51 H new ATOM 0 HA ASN A 88 -6.338 2.426 -16.978 1.00 32.23 H new ATOM 0 HB2 ASN A 88 -6.901 1.419 -19.173 1.00 45.35 H new ATOM 0 HB3 ASN A 88 -7.931 0.238 -18.390 1.00 45.35 H new ATOM 0 HD21 ASN A 88 -9.258 4.117 -18.975 1.00 72.33 H new ATOM 0 HD22 ASN A 88 -7.562 3.681 -19.210 1.00 72.33 H new ATOM 1504 N GLU A 89 -7.855 -0.027 -15.360 1.00 32.32 N ATOM 1505 CA GLU A 89 -8.675 -0.374 -14.174 1.00 64.23 C ATOM 1506 C GLU A 89 -8.030 0.274 -12.939 1.00 74.44 C ATOM 1507 O GLU A 89 -8.677 0.993 -12.168 1.00 64.02 O ATOM 1508 CB GLU A 89 -8.754 -1.938 -14.014 1.00 4.33 C ATOM 1509 CG GLU A 89 -10.047 -2.496 -13.357 1.00 20.21 C ATOM 1510 CD GLU A 89 -10.332 -1.994 -11.925 1.00 20.53 C ATOM 1511 OE1 GLU A 89 -9.752 -2.539 -10.955 1.00 41.33 O ATOM 1512 OE2 GLU A 89 -11.150 -1.063 -11.763 1.00 53.23 O ATOM 0 H GLU A 89 -7.463 -0.840 -15.835 1.00 32.32 H new ATOM 0 HA GLU A 89 -9.693 -0.001 -14.291 1.00 64.23 H new ATOM 0 HB2 GLU A 89 -8.649 -2.389 -15.001 1.00 4.33 H new ATOM 0 HB3 GLU A 89 -7.900 -2.265 -13.421 1.00 4.33 H new ATOM 0 HG2 GLU A 89 -10.896 -2.238 -13.990 1.00 20.21 H new ATOM 0 HG3 GLU A 89 -9.983 -3.584 -13.336 1.00 20.21 H new ATOM 1519 N LEU A 90 -6.719 0.044 -12.832 1.00 4.25 N ATOM 1520 CA LEU A 90 -5.892 0.557 -11.745 1.00 70.54 C ATOM 1521 C LEU A 90 -5.721 2.083 -11.837 1.00 21.45 C ATOM 1522 O LEU A 90 -5.621 2.751 -10.811 1.00 33.13 O ATOM 1523 CB LEU A 90 -4.510 -0.109 -11.800 1.00 62.22 C ATOM 1524 CG LEU A 90 -4.482 -1.657 -11.764 1.00 44.12 C ATOM 1525 CD1 LEU A 90 -3.038 -2.150 -11.941 1.00 51.35 C ATOM 1526 CD2 LEU A 90 -5.132 -2.216 -10.471 1.00 5.43 C ATOM 0 H LEU A 90 -6.198 -0.512 -13.510 1.00 4.25 H new ATOM 0 HA LEU A 90 -6.390 0.326 -10.803 1.00 70.54 H new ATOM 0 HB2 LEU A 90 -4.010 0.219 -12.711 1.00 62.22 H new ATOM 0 HB3 LEU A 90 -3.920 0.262 -10.962 1.00 62.22 H new ATOM 0 HG LEU A 90 -5.081 -2.036 -12.592 1.00 44.12 H new ATOM 0 HD11 LEU A 90 -3.020 -3.240 -11.915 1.00 51.35 H new ATOM 0 HD12 LEU A 90 -2.650 -1.803 -12.899 1.00 51.35 H new ATOM 0 HD13 LEU A 90 -2.418 -1.758 -11.135 1.00 51.35 H new ATOM 0 HD21 LEU A 90 -5.092 -3.305 -10.485 1.00 5.43 H new ATOM 0 HD22 LEU A 90 -4.590 -1.844 -9.601 1.00 5.43 H new ATOM 0 HD23 LEU A 90 -6.171 -1.892 -10.417 1.00 5.43 H new ATOM 1538 N GLU A 91 -5.670 2.615 -13.081 1.00 43.40 N ATOM 1539 CA GLU A 91 -5.488 4.057 -13.324 1.00 71.30 C ATOM 1540 C GLU A 91 -6.655 4.839 -12.714 1.00 3.42 C ATOM 1541 O GLU A 91 -6.434 5.739 -11.906 1.00 0.04 O ATOM 1542 CB GLU A 91 -5.349 4.382 -14.835 1.00 43.45 C ATOM 1543 CG GLU A 91 -5.063 5.873 -15.127 1.00 14.41 C ATOM 1544 CD GLU A 91 -5.109 6.233 -16.615 1.00 55.04 C ATOM 1545 OE1 GLU A 91 -6.147 5.990 -17.255 1.00 61.11 O ATOM 1546 OE2 GLU A 91 -4.114 6.760 -17.154 1.00 43.35 O ATOM 0 H GLU A 91 -5.753 2.060 -13.933 1.00 43.40 H new ATOM 0 HA GLU A 91 -4.557 4.359 -12.844 1.00 71.30 H new ATOM 0 HB2 GLU A 91 -4.545 3.778 -15.255 1.00 43.45 H new ATOM 0 HB3 GLU A 91 -6.267 4.090 -15.346 1.00 43.45 H new ATOM 0 HG2 GLU A 91 -5.790 6.484 -14.593 1.00 14.41 H new ATOM 0 HG3 GLU A 91 -4.080 6.129 -14.731 1.00 14.41 H new ATOM 1553 N GLU A 92 -7.888 4.416 -13.056 1.00 61.11 N ATOM 1554 CA GLU A 92 -9.133 5.020 -12.540 1.00 55.24 C ATOM 1555 C GLU A 92 -9.156 5.053 -11.002 1.00 32.34 C ATOM 1556 O GLU A 92 -9.661 5.998 -10.402 1.00 72.45 O ATOM 1557 CB GLU A 92 -10.357 4.230 -13.067 1.00 62.13 C ATOM 1558 CG GLU A 92 -10.515 4.239 -14.600 1.00 52.13 C ATOM 1559 CD GLU A 92 -10.765 5.644 -15.174 1.00 54.11 C ATOM 1560 OE1 GLU A 92 -9.789 6.370 -15.478 1.00 70.02 O ATOM 1561 OE2 GLU A 92 -11.944 6.035 -15.314 1.00 21.22 O ATOM 0 H GLU A 92 -8.049 3.642 -13.701 1.00 61.11 H new ATOM 0 HA GLU A 92 -9.177 6.049 -12.896 1.00 55.24 H new ATOM 0 HB2 GLU A 92 -10.279 3.197 -12.729 1.00 62.13 H new ATOM 0 HB3 GLU A 92 -11.260 4.644 -12.619 1.00 62.13 H new ATOM 0 HG2 GLU A 92 -9.616 3.823 -15.054 1.00 52.13 H new ATOM 0 HG3 GLU A 92 -11.343 3.587 -14.877 1.00 52.13 H new ATOM 1568 N PHE A 93 -8.594 4.003 -10.394 1.00 73.21 N ATOM 1569 CA PHE A 93 -8.463 3.891 -8.940 1.00 20.03 C ATOM 1570 C PHE A 93 -7.480 4.951 -8.399 1.00 30.33 C ATOM 1571 O PHE A 93 -7.854 5.810 -7.584 1.00 21.01 O ATOM 1572 CB PHE A 93 -8.000 2.456 -8.564 1.00 75.34 C ATOM 1573 CG PHE A 93 -8.079 2.158 -7.076 1.00 52.02 C ATOM 1574 CD1 PHE A 93 -9.300 1.863 -6.494 1.00 11.31 C ATOM 1575 CD2 PHE A 93 -6.950 2.176 -6.259 1.00 33.12 C ATOM 1576 CE1 PHE A 93 -9.391 1.609 -5.148 1.00 41.23 C ATOM 1577 CE2 PHE A 93 -7.045 1.917 -4.908 1.00 20.43 C ATOM 1578 CZ PHE A 93 -8.264 1.628 -4.353 1.00 72.22 C ATOM 0 H PHE A 93 -8.215 3.203 -10.901 1.00 73.21 H new ATOM 0 HA PHE A 93 -9.434 4.075 -8.480 1.00 20.03 H new ATOM 0 HB2 PHE A 93 -8.613 1.733 -9.103 1.00 75.34 H new ATOM 0 HB3 PHE A 93 -6.972 2.316 -8.899 1.00 75.34 H new ATOM 0 HD1 PHE A 93 -10.190 1.832 -7.105 1.00 11.31 H new ATOM 0 HD2 PHE A 93 -5.985 2.396 -6.691 1.00 33.12 H new ATOM 0 HE1 PHE A 93 -10.353 1.392 -4.708 1.00 41.23 H new ATOM 0 HE2 PHE A 93 -6.161 1.942 -4.289 1.00 20.43 H new ATOM 0 HZ PHE A 93 -8.342 1.416 -3.297 1.00 72.22 H new ATOM 1588 N LYS A 94 -6.251 4.929 -8.938 1.00 14.22 N ATOM 1589 CA LYS A 94 -5.108 5.672 -8.378 1.00 61.21 C ATOM 1590 C LYS A 94 -5.181 7.180 -8.666 1.00 0.24 C ATOM 1591 O LYS A 94 -4.500 7.952 -7.997 1.00 64.55 O ATOM 1592 CB LYS A 94 -3.763 5.049 -8.869 1.00 53.01 C ATOM 1593 CG LYS A 94 -3.436 5.119 -10.391 1.00 33.32 C ATOM 1594 CD LYS A 94 -2.731 6.428 -10.833 1.00 25.14 C ATOM 1595 CE LYS A 94 -1.434 6.697 -10.045 1.00 12.31 C ATOM 1596 NZ LYS A 94 -0.750 7.929 -10.509 1.00 64.31 N ATOM 0 H LYS A 94 -6.020 4.395 -9.776 1.00 14.22 H new ATOM 0 HA LYS A 94 -5.155 5.576 -7.293 1.00 61.21 H new ATOM 0 HB2 LYS A 94 -2.952 5.539 -8.330 1.00 53.01 H new ATOM 0 HB3 LYS A 94 -3.754 4.000 -8.573 1.00 53.01 H new ATOM 0 HG2 LYS A 94 -2.802 4.272 -10.654 1.00 33.32 H new ATOM 0 HG3 LYS A 94 -4.362 5.011 -10.955 1.00 33.32 H new ATOM 0 HD2 LYS A 94 -2.500 6.371 -11.897 1.00 25.14 H new ATOM 0 HD3 LYS A 94 -3.414 7.267 -10.699 1.00 25.14 H new ATOM 0 HE2 LYS A 94 -1.666 6.788 -8.984 1.00 12.31 H new ATOM 0 HE3 LYS A 94 -0.761 5.846 -10.152 1.00 12.31 H new ATOM 0 HZ1 LYS A 94 0.117 8.074 -9.954 1.00 64.31 H new ATOM 0 HZ2 LYS A 94 -0.505 7.832 -11.515 1.00 64.31 H new ATOM 0 HZ3 LYS A 94 -1.382 8.745 -10.383 1.00 64.31 H new ATOM 1610 N ARG A 95 -5.982 7.578 -9.678 1.00 74.22 N ATOM 1611 CA ARG A 95 -6.214 9.002 -10.008 1.00 14.51 C ATOM 1612 C ARG A 95 -6.872 9.717 -8.815 1.00 22.03 C ATOM 1613 O ARG A 95 -6.414 10.781 -8.392 1.00 73.24 O ATOM 1614 CB ARG A 95 -7.093 9.139 -11.294 1.00 64.24 C ATOM 1615 CG ARG A 95 -6.370 8.730 -12.602 1.00 23.12 C ATOM 1616 CD ARG A 95 -7.317 8.605 -13.819 1.00 3.33 C ATOM 1617 NE ARG A 95 -7.814 9.901 -14.310 1.00 14.23 N ATOM 1618 CZ ARG A 95 -8.510 10.079 -15.449 1.00 71.25 C ATOM 1619 NH1 ARG A 95 -8.819 9.042 -16.240 1.00 40.33 N ATOM 1620 NH2 ARG A 95 -8.903 11.303 -15.780 1.00 41.34 N ATOM 0 H ARG A 95 -6.482 6.928 -10.285 1.00 74.22 H new ATOM 0 HA ARG A 95 -5.253 9.475 -10.211 1.00 14.51 H new ATOM 0 HB2 ARG A 95 -7.986 8.525 -11.178 1.00 64.24 H new ATOM 0 HB3 ARG A 95 -7.427 10.173 -11.384 1.00 64.24 H new ATOM 0 HG2 ARG A 95 -5.598 9.466 -12.827 1.00 23.12 H new ATOM 0 HG3 ARG A 95 -5.865 7.777 -12.446 1.00 23.12 H new ATOM 0 HD2 ARG A 95 -6.792 8.096 -14.627 1.00 3.33 H new ATOM 0 HD3 ARG A 95 -8.166 7.979 -13.546 1.00 3.33 H new ATOM 0 HE ARG A 95 -7.616 10.727 -13.745 1.00 14.23 H new ATOM 0 HH11 ARG A 95 -8.526 8.099 -15.983 1.00 40.33 H new ATOM 0 HH12 ARG A 95 -9.347 9.195 -17.099 1.00 40.33 H new ATOM 0 HH21 ARG A 95 -8.677 12.092 -15.175 1.00 41.34 H new ATOM 0 HH22 ARG A 95 -9.431 11.454 -16.640 1.00 41.34 H new ATOM 1634 N LYS A 96 -7.909 9.070 -8.251 1.00 52.13 N ATOM 1635 CA LYS A 96 -8.691 9.606 -7.121 1.00 54.45 C ATOM 1636 C LYS A 96 -7.861 9.564 -5.830 1.00 62.13 C ATOM 1637 O LYS A 96 -7.900 10.505 -5.040 1.00 24.20 O ATOM 1638 CB LYS A 96 -10.029 8.816 -6.928 1.00 22.41 C ATOM 1639 CG LYS A 96 -11.146 9.124 -7.960 1.00 33.33 C ATOM 1640 CD LYS A 96 -10.778 8.739 -9.405 1.00 61.03 C ATOM 1641 CE LYS A 96 -11.929 8.957 -10.393 1.00 14.51 C ATOM 1642 NZ LYS A 96 -13.111 8.119 -10.067 1.00 42.34 N ATOM 0 H LYS A 96 -8.230 8.155 -8.568 1.00 52.13 H new ATOM 0 HA LYS A 96 -8.941 10.642 -7.350 1.00 54.45 H new ATOM 0 HB2 LYS A 96 -9.809 7.749 -6.966 1.00 22.41 H new ATOM 0 HB3 LYS A 96 -10.413 9.027 -5.930 1.00 22.41 H new ATOM 0 HG2 LYS A 96 -12.052 8.591 -7.671 1.00 33.33 H new ATOM 0 HG3 LYS A 96 -11.377 10.189 -7.925 1.00 33.33 H new ATOM 0 HD2 LYS A 96 -9.917 9.326 -9.724 1.00 61.03 H new ATOM 0 HD3 LYS A 96 -10.477 7.692 -9.431 1.00 61.03 H new ATOM 0 HE2 LYS A 96 -12.217 10.008 -10.387 1.00 14.51 H new ATOM 0 HE3 LYS A 96 -11.589 8.726 -11.402 1.00 14.51 H new ATOM 0 HZ1 LYS A 96 -13.782 8.141 -10.862 1.00 42.34 H new ATOM 0 HZ2 LYS A 96 -12.806 7.139 -9.898 1.00 42.34 H new ATOM 0 HZ3 LYS A 96 -13.574 8.490 -9.213 1.00 42.34 H new ATOM 1656 N ILE A 97 -7.096 8.471 -5.642 1.00 63.20 N ATOM 1657 CA ILE A 97 -6.239 8.272 -4.451 1.00 25.14 C ATOM 1658 C ILE A 97 -5.111 9.334 -4.397 1.00 21.10 C ATOM 1659 O ILE A 97 -4.777 9.860 -3.324 1.00 33.41 O ATOM 1660 CB ILE A 97 -5.634 6.816 -4.442 1.00 2.41 C ATOM 1661 CG1 ILE A 97 -6.769 5.737 -4.500 1.00 1.55 C ATOM 1662 CG2 ILE A 97 -4.711 6.575 -3.227 1.00 12.04 C ATOM 1663 CD1 ILE A 97 -7.809 5.797 -3.380 1.00 63.05 C ATOM 0 H ILE A 97 -7.053 7.701 -6.309 1.00 63.20 H new ATOM 0 HA ILE A 97 -6.859 8.393 -3.562 1.00 25.14 H new ATOM 0 HB ILE A 97 -5.020 6.721 -5.337 1.00 2.41 H new ATOM 0 HG12 ILE A 97 -7.286 5.833 -5.455 1.00 1.55 H new ATOM 0 HG13 ILE A 97 -6.306 4.750 -4.486 1.00 1.55 H new ATOM 0 HG21 ILE A 97 -4.318 5.559 -3.264 1.00 12.04 H new ATOM 0 HG22 ILE A 97 -3.884 7.285 -3.252 1.00 12.04 H new ATOM 0 HG23 ILE A 97 -5.278 6.711 -2.306 1.00 12.04 H new ATOM 0 HD11 ILE A 97 -8.544 5.005 -3.523 1.00 63.05 H new ATOM 0 HD12 ILE A 97 -7.315 5.665 -2.417 1.00 63.05 H new ATOM 0 HD13 ILE A 97 -8.310 6.765 -3.401 1.00 63.05 H new ATOM 1675 N GLU A 98 -4.566 9.659 -5.582 1.00 74.00 N ATOM 1676 CA GLU A 98 -3.538 10.706 -5.753 1.00 51.42 C ATOM 1677 C GLU A 98 -4.146 12.091 -5.414 1.00 74.40 C ATOM 1678 O GLU A 98 -3.487 12.928 -4.794 1.00 61.24 O ATOM 1679 CB GLU A 98 -2.985 10.647 -7.219 1.00 11.12 C ATOM 1680 CG GLU A 98 -1.546 11.184 -7.441 1.00 53.31 C ATOM 1681 CD GLU A 98 -1.403 12.708 -7.289 1.00 61.44 C ATOM 1682 OE1 GLU A 98 -1.878 13.444 -8.174 1.00 31.03 O ATOM 1683 OE2 GLU A 98 -0.812 13.176 -6.299 1.00 32.31 O ATOM 0 H GLU A 98 -4.827 9.201 -6.455 1.00 74.00 H new ATOM 0 HA GLU A 98 -2.704 10.539 -5.072 1.00 51.42 H new ATOM 0 HB2 GLU A 98 -3.017 9.610 -7.554 1.00 11.12 H new ATOM 0 HB3 GLU A 98 -3.662 11.210 -7.861 1.00 11.12 H new ATOM 0 HG2 GLU A 98 -0.877 10.697 -6.732 1.00 53.31 H new ATOM 0 HG3 GLU A 98 -1.215 10.899 -8.440 1.00 53.31 H new ATOM 1690 N SER A 99 -5.435 12.274 -5.770 1.00 52.05 N ATOM 1691 CA SER A 99 -6.181 13.524 -5.500 1.00 62.30 C ATOM 1692 C SER A 99 -6.480 13.681 -3.991 1.00 3.32 C ATOM 1693 O SER A 99 -6.611 14.800 -3.494 1.00 42.13 O ATOM 1694 CB SER A 99 -7.497 13.546 -6.305 1.00 44.51 C ATOM 1695 OG SER A 99 -7.251 13.423 -7.693 1.00 24.14 O ATOM 0 H SER A 99 -5.987 11.564 -6.251 1.00 52.05 H new ATOM 0 HA SER A 99 -5.557 14.362 -5.812 1.00 62.30 H new ATOM 0 HB2 SER A 99 -8.142 12.732 -5.974 1.00 44.51 H new ATOM 0 HB3 SER A 99 -8.031 14.476 -6.109 1.00 44.51 H new ATOM 0 HG SER A 99 -6.950 12.512 -7.892 1.00 24.14 H new ATOM 1701 N GLN A 100 -6.603 12.539 -3.276 1.00 62.31 N ATOM 1702 CA GLN A 100 -6.788 12.522 -1.807 1.00 25.23 C ATOM 1703 C GLN A 100 -5.468 12.873 -1.087 1.00 22.24 C ATOM 1704 O GLN A 100 -5.477 13.223 0.096 1.00 11.41 O ATOM 1705 CB GLN A 100 -7.308 11.141 -1.329 1.00 72.21 C ATOM 1706 CG GLN A 100 -8.671 10.728 -1.920 1.00 13.15 C ATOM 1707 CD GLN A 100 -9.133 9.332 -1.489 1.00 2.53 C ATOM 1708 OE1 GLN A 100 -8.324 8.440 -1.223 1.00 43.13 O ATOM 1709 NE2 GLN A 100 -10.440 9.128 -1.434 1.00 34.12 N ATOM 0 H GLN A 100 -6.577 11.610 -3.697 1.00 62.31 H new ATOM 0 HA GLN A 100 -7.534 13.276 -1.555 1.00 25.23 H new ATOM 0 HB2 GLN A 100 -6.570 10.381 -1.586 1.00 72.21 H new ATOM 0 HB3 GLN A 100 -7.387 11.154 -0.242 1.00 72.21 H new ATOM 0 HG2 GLN A 100 -9.423 11.458 -1.621 1.00 13.15 H new ATOM 0 HG3 GLN A 100 -8.610 10.761 -3.008 1.00 13.15 H new ATOM 0 HE21 GLN A 100 -11.084 9.886 -1.660 1.00 34.12 H new ATOM 0 HE22 GLN A 100 -10.803 8.213 -1.166 1.00 34.12 H new ATOM 1718 N GLY A 101 -4.341 12.757 -1.819 1.00 35.31 N ATOM 1719 CA GLY A 101 -3.025 13.156 -1.321 1.00 0.10 C ATOM 1720 C GLY A 101 -2.184 11.978 -0.883 1.00 53.44 C ATOM 1721 O GLY A 101 -1.516 12.038 0.155 1.00 72.50 O ATOM 0 H GLY A 101 -4.326 12.384 -2.768 1.00 35.31 H new ATOM 0 HA2 GLY A 101 -2.497 13.704 -2.101 1.00 0.10 H new ATOM 0 HA3 GLY A 101 -3.151 13.839 -0.481 1.00 0.10 H new ATOM 1725 N TYR A 102 -2.211 10.891 -1.672 1.00 43.42 N ATOM 1726 CA TYR A 102 -1.424 9.673 -1.390 1.00 45.11 C ATOM 1727 C TYR A 102 -0.422 9.406 -2.502 1.00 14.41 C ATOM 1728 O TYR A 102 -0.740 9.582 -3.688 1.00 64.24 O ATOM 1729 CB TYR A 102 -2.355 8.458 -1.187 1.00 10.04 C ATOM 1730 CG TYR A 102 -3.254 8.621 0.038 1.00 12.31 C ATOM 1731 CD1 TYR A 102 -2.704 8.564 1.317 1.00 64.23 C ATOM 1732 CD2 TYR A 102 -4.623 8.881 -0.072 1.00 44.43 C ATOM 1733 CE1 TYR A 102 -3.476 8.752 2.434 1.00 4.44 C ATOM 1734 CE2 TYR A 102 -5.401 9.081 1.052 1.00 22.41 C ATOM 1735 CZ TYR A 102 -4.820 9.010 2.302 1.00 73.40 C ATOM 1736 OH TYR A 102 -5.578 9.214 3.426 1.00 61.11 O ATOM 0 H TYR A 102 -2.775 10.829 -2.520 1.00 43.42 H new ATOM 0 HA TYR A 102 -0.867 9.834 -0.467 1.00 45.11 H new ATOM 0 HB2 TYR A 102 -2.973 8.323 -2.075 1.00 10.04 H new ATOM 0 HB3 TYR A 102 -1.754 7.555 -1.077 1.00 10.04 H new ATOM 0 HD1 TYR A 102 -1.648 8.368 1.431 1.00 64.23 H new ATOM 0 HD2 TYR A 102 -5.079 8.926 -1.050 1.00 44.43 H new ATOM 0 HE1 TYR A 102 -3.029 8.698 3.416 1.00 4.44 H new ATOM 0 HE2 TYR A 102 -6.456 9.291 0.953 1.00 22.41 H new ATOM 0 HH TYR A 102 -6.427 8.733 3.340 1.00 61.11 H new ATOM 1746 N GLU A 103 0.798 9.007 -2.100 1.00 22.42 N ATOM 1747 CA GLU A 103 1.864 8.632 -3.026 1.00 11.21 C ATOM 1748 C GLU A 103 1.523 7.255 -3.611 1.00 4.51 C ATOM 1749 O GLU A 103 1.709 6.231 -2.956 1.00 72.42 O ATOM 1750 CB GLU A 103 3.236 8.622 -2.287 1.00 63.21 C ATOM 1751 CG GLU A 103 4.446 8.183 -3.139 1.00 75.24 C ATOM 1752 CD GLU A 103 4.699 9.094 -4.349 1.00 42.20 C ATOM 1753 OE1 GLU A 103 5.331 10.152 -4.178 1.00 32.54 O ATOM 1754 OE2 GLU A 103 4.257 8.762 -5.467 1.00 45.45 O ATOM 0 H GLU A 103 1.066 8.938 -1.118 1.00 22.42 H new ATOM 0 HA GLU A 103 1.944 9.355 -3.838 1.00 11.21 H new ATOM 0 HB2 GLU A 103 3.429 9.623 -1.902 1.00 63.21 H new ATOM 0 HB3 GLU A 103 3.160 7.958 -1.426 1.00 63.21 H new ATOM 0 HG2 GLU A 103 5.337 8.168 -2.512 1.00 75.24 H new ATOM 0 HG3 GLU A 103 4.285 7.163 -3.488 1.00 75.24 H new ATOM 1761 N VAL A 104 1.001 7.251 -4.842 1.00 12.43 N ATOM 1762 CA VAL A 104 0.462 6.041 -5.473 1.00 72.43 C ATOM 1763 C VAL A 104 0.966 5.912 -6.909 1.00 1.34 C ATOM 1764 O VAL A 104 0.980 6.892 -7.671 1.00 60.51 O ATOM 1765 CB VAL A 104 -1.113 6.012 -5.433 1.00 55.24 C ATOM 1766 CG1 VAL A 104 -1.740 7.282 -6.046 1.00 50.42 C ATOM 1767 CG2 VAL A 104 -1.667 4.728 -6.095 1.00 54.22 C ATOM 0 H VAL A 104 0.940 8.084 -5.428 1.00 12.43 H new ATOM 0 HA VAL A 104 0.820 5.186 -4.899 1.00 72.43 H new ATOM 0 HB VAL A 104 -1.403 5.998 -4.383 1.00 55.24 H new ATOM 0 HG11 VAL A 104 -2.827 7.213 -5.994 1.00 50.42 H new ATOM 0 HG12 VAL A 104 -1.405 8.158 -5.490 1.00 50.42 H new ATOM 0 HG13 VAL A 104 -1.432 7.374 -7.087 1.00 50.42 H new ATOM 0 HG21 VAL A 104 -2.756 4.737 -6.052 1.00 54.22 H new ATOM 0 HG22 VAL A 104 -1.345 4.687 -7.136 1.00 54.22 H new ATOM 0 HG23 VAL A 104 -1.290 3.854 -5.565 1.00 54.22 H new ATOM 1777 N ARG A 105 1.398 4.695 -7.264 1.00 25.13 N ATOM 1778 CA ARG A 105 1.856 4.360 -8.617 1.00 72.32 C ATOM 1779 C ARG A 105 1.136 3.100 -9.108 1.00 21.00 C ATOM 1780 O ARG A 105 0.765 2.223 -8.316 1.00 73.00 O ATOM 1781 CB ARG A 105 3.398 4.163 -8.645 1.00 0.30 C ATOM 1782 CG ARG A 105 4.209 5.383 -8.143 1.00 42.12 C ATOM 1783 CD ARG A 105 4.023 6.647 -9.009 1.00 20.54 C ATOM 1784 NE ARG A 105 4.422 7.860 -8.280 1.00 71.41 N ATOM 1785 CZ ARG A 105 4.704 9.052 -8.826 1.00 51.50 C ATOM 1786 NH1 ARG A 105 4.663 9.233 -10.146 1.00 23.23 N ATOM 1787 NH2 ARG A 105 4.976 10.076 -8.027 1.00 35.00 N ATOM 0 H ARG A 105 1.439 3.910 -6.615 1.00 25.13 H new ATOM 0 HA ARG A 105 1.616 5.186 -9.286 1.00 72.32 H new ATOM 0 HB2 ARG A 105 3.652 3.297 -8.034 1.00 0.30 H new ATOM 0 HB3 ARG A 105 3.704 3.934 -9.666 1.00 0.30 H new ATOM 0 HG2 ARG A 105 3.914 5.608 -7.118 1.00 42.12 H new ATOM 0 HG3 ARG A 105 5.267 5.121 -8.120 1.00 42.12 H new ATOM 0 HD2 ARG A 105 4.615 6.556 -9.920 1.00 20.54 H new ATOM 0 HD3 ARG A 105 2.980 6.731 -9.314 1.00 20.54 H new ATOM 0 HE ARG A 105 4.491 7.788 -7.265 1.00 71.41 H new ATOM 0 HH11 ARG A 105 4.414 8.457 -10.760 1.00 23.23 H new ATOM 0 HH12 ARG A 105 4.881 10.147 -10.542 1.00 23.23 H new ATOM 0 HH21 ARG A 105 4.968 9.949 -7.015 1.00 35.00 H new ATOM 0 HH22 ARG A 105 5.193 10.990 -8.425 1.00 35.00 H new ATOM 1801 N LYS A 106 0.948 3.037 -10.422 1.00 14.41 N ATOM 1802 CA LYS A 106 0.279 1.937 -11.121 1.00 1.52 C ATOM 1803 C LYS A 106 1.298 1.267 -12.055 1.00 3.04 C ATOM 1804 O LYS A 106 1.923 1.937 -12.886 1.00 54.03 O ATOM 1805 CB LYS A 106 -0.958 2.516 -11.886 1.00 5.11 C ATOM 1806 CG LYS A 106 -1.672 1.569 -12.890 1.00 4.33 C ATOM 1807 CD LYS A 106 -1.054 1.580 -14.307 1.00 34.23 C ATOM 1808 CE LYS A 106 -1.134 2.957 -14.981 1.00 60.45 C ATOM 1809 NZ LYS A 106 -0.410 2.972 -16.277 1.00 11.01 N ATOM 0 H LYS A 106 1.266 3.772 -11.053 1.00 14.41 H new ATOM 0 HA LYS A 106 -0.088 1.176 -10.432 1.00 1.52 H new ATOM 0 HB2 LYS A 106 -1.691 2.842 -11.148 1.00 5.11 H new ATOM 0 HB3 LYS A 106 -0.635 3.404 -12.429 1.00 5.11 H new ATOM 0 HG2 LYS A 106 -1.643 0.552 -12.499 1.00 4.33 H new ATOM 0 HG3 LYS A 106 -2.722 1.854 -12.960 1.00 4.33 H new ATOM 0 HD2 LYS A 106 -0.011 1.271 -14.246 1.00 34.23 H new ATOM 0 HD3 LYS A 106 -1.568 0.846 -14.928 1.00 34.23 H new ATOM 0 HE2 LYS A 106 -2.178 3.223 -15.144 1.00 60.45 H new ATOM 0 HE3 LYS A 106 -0.712 3.713 -14.318 1.00 60.45 H new ATOM 0 HZ1 LYS A 106 0.100 3.872 -16.379 1.00 11.01 H new ATOM 0 HZ2 LYS A 106 0.269 2.184 -16.305 1.00 11.01 H new ATOM 0 HZ3 LYS A 106 -1.091 2.870 -17.056 1.00 11.01 H new ATOM 1823 N VAL A 107 1.452 -0.055 -11.923 1.00 2.14 N ATOM 1824 CA VAL A 107 2.394 -0.856 -12.732 1.00 52.13 C ATOM 1825 C VAL A 107 1.675 -2.078 -13.324 1.00 11.10 C ATOM 1826 O VAL A 107 0.487 -2.310 -13.047 1.00 13.20 O ATOM 1827 CB VAL A 107 3.648 -1.308 -11.882 1.00 74.32 C ATOM 1828 CG1 VAL A 107 4.433 -0.094 -11.330 1.00 32.33 C ATOM 1829 CG2 VAL A 107 3.243 -2.260 -10.745 1.00 14.55 C ATOM 0 H VAL A 107 0.925 -0.609 -11.248 1.00 2.14 H new ATOM 0 HA VAL A 107 2.757 -0.229 -13.546 1.00 52.13 H new ATOM 0 HB VAL A 107 4.310 -1.852 -12.556 1.00 74.32 H new ATOM 0 HG11 VAL A 107 5.287 -0.446 -10.751 1.00 32.33 H new ATOM 0 HG12 VAL A 107 4.784 0.520 -12.159 1.00 32.33 H new ATOM 0 HG13 VAL A 107 3.781 0.500 -10.690 1.00 32.33 H new ATOM 0 HG21 VAL A 107 4.129 -2.551 -10.181 1.00 14.55 H new ATOM 0 HG22 VAL A 107 2.540 -1.756 -10.082 1.00 14.55 H new ATOM 0 HG23 VAL A 107 2.772 -3.149 -11.165 1.00 14.55 H new ATOM 1839 N THR A 108 2.399 -2.840 -14.160 1.00 32.44 N ATOM 1840 CA THR A 108 1.882 -4.062 -14.805 1.00 43.20 C ATOM 1841 C THR A 108 2.837 -5.255 -14.559 1.00 12.05 C ATOM 1842 O THR A 108 2.386 -6.394 -14.407 1.00 65.40 O ATOM 1843 CB THR A 108 1.685 -3.842 -16.350 1.00 33.52 C ATOM 1844 OG1 THR A 108 2.919 -3.413 -16.944 1.00 34.35 O ATOM 1845 CG2 THR A 108 0.593 -2.794 -16.670 1.00 64.05 C ATOM 0 H THR A 108 3.365 -2.626 -14.410 1.00 32.44 H new ATOM 0 HA THR A 108 0.913 -4.289 -14.361 1.00 43.20 H new ATOM 0 HB THR A 108 1.366 -4.799 -16.763 1.00 33.52 H new ATOM 0 HG1 THR A 108 2.790 -3.280 -17.906 1.00 34.35 H new ATOM 0 HG21 THR A 108 0.500 -2.683 -17.750 1.00 64.05 H new ATOM 0 HG22 THR A 108 -0.360 -3.124 -16.256 1.00 64.05 H new ATOM 0 HG23 THR A 108 0.868 -1.836 -16.229 1.00 64.05 H new ATOM 1853 N ASP A 109 4.159 -4.977 -14.515 1.00 30.12 N ATOM 1854 CA ASP A 109 5.203 -6.022 -14.373 1.00 72.31 C ATOM 1855 C ASP A 109 5.568 -6.216 -12.892 1.00 23.24 C ATOM 1856 O ASP A 109 5.517 -5.259 -12.113 1.00 2.30 O ATOM 1857 CB ASP A 109 6.481 -5.635 -15.174 1.00 24.23 C ATOM 1858 CG ASP A 109 6.205 -5.280 -16.644 1.00 72.44 C ATOM 1859 OD1 ASP A 109 5.759 -4.151 -16.910 1.00 64.22 O ATOM 1860 OD2 ASP A 109 6.444 -6.112 -17.541 1.00 72.30 O ATOM 0 H ASP A 109 4.533 -4.030 -14.576 1.00 30.12 H new ATOM 0 HA ASP A 109 4.803 -6.954 -14.771 1.00 72.31 H new ATOM 0 HB2 ASP A 109 6.960 -4.785 -14.688 1.00 24.23 H new ATOM 0 HB3 ASP A 109 7.188 -6.464 -15.136 1.00 24.23 H new ATOM 1865 N ASP A 110 5.953 -7.459 -12.537 1.00 63.30 N ATOM 1866 CA ASP A 110 6.439 -7.824 -11.183 1.00 73.22 C ATOM 1867 C ASP A 110 7.794 -7.163 -10.896 1.00 72.53 C ATOM 1868 O ASP A 110 7.996 -6.567 -9.833 1.00 20.02 O ATOM 1869 CB ASP A 110 6.568 -9.376 -11.031 1.00 44.41 C ATOM 1870 CG ASP A 110 5.215 -10.105 -10.951 1.00 42.44 C ATOM 1871 OD1 ASP A 110 4.417 -10.000 -11.904 1.00 53.33 O ATOM 1872 OD2 ASP A 110 4.956 -10.806 -9.948 1.00 51.12 O ATOM 0 H ASP A 110 5.937 -8.247 -13.185 1.00 63.30 H new ATOM 0 HA ASP A 110 5.706 -7.462 -10.462 1.00 73.22 H new ATOM 0 HB2 ASP A 110 7.133 -9.769 -11.876 1.00 44.41 H new ATOM 0 HB3 ASP A 110 7.144 -9.597 -10.132 1.00 44.41 H new ATOM 1877 N GLU A 111 8.710 -7.290 -11.871 1.00 31.52 N ATOM 1878 CA GLU A 111 10.056 -6.689 -11.817 1.00 41.31 C ATOM 1879 C GLU A 111 9.978 -5.150 -11.657 1.00 52.44 C ATOM 1880 O GLU A 111 10.715 -4.570 -10.861 1.00 21.20 O ATOM 1881 CB GLU A 111 10.859 -7.088 -13.089 1.00 52.14 C ATOM 1882 CG GLU A 111 10.180 -6.713 -14.426 1.00 21.20 C ATOM 1883 CD GLU A 111 10.956 -7.195 -15.659 1.00 33.23 C ATOM 1884 OE1 GLU A 111 11.836 -6.464 -16.145 1.00 41.52 O ATOM 1885 OE2 GLU A 111 10.685 -8.310 -16.147 1.00 44.22 O ATOM 0 H GLU A 111 8.537 -7.817 -12.727 1.00 31.52 H new ATOM 0 HA GLU A 111 10.578 -7.074 -10.941 1.00 41.31 H new ATOM 0 HB2 GLU A 111 11.838 -6.611 -13.048 1.00 52.14 H new ATOM 0 HB3 GLU A 111 11.028 -8.165 -13.072 1.00 52.14 H new ATOM 0 HG2 GLU A 111 9.177 -7.139 -14.448 1.00 21.20 H new ATOM 0 HG3 GLU A 111 10.068 -5.630 -14.477 1.00 21.20 H new ATOM 1892 N GLU A 112 9.027 -4.533 -12.391 1.00 32.32 N ATOM 1893 CA GLU A 112 8.763 -3.084 -12.360 1.00 42.32 C ATOM 1894 C GLU A 112 8.224 -2.661 -10.991 1.00 21.24 C ATOM 1895 O GLU A 112 8.652 -1.649 -10.435 1.00 31.10 O ATOM 1896 CB GLU A 112 7.744 -2.736 -13.467 1.00 72.03 C ATOM 1897 CG GLU A 112 7.291 -1.263 -13.534 1.00 74.01 C ATOM 1898 CD GLU A 112 6.213 -1.011 -14.597 1.00 14.25 C ATOM 1899 OE1 GLU A 112 5.321 -1.877 -14.766 1.00 1.43 O ATOM 1900 OE2 GLU A 112 6.227 0.055 -15.249 1.00 24.34 O ATOM 0 H GLU A 112 8.414 -5.038 -13.030 1.00 32.32 H new ATOM 0 HA GLU A 112 9.694 -2.545 -12.535 1.00 42.32 H new ATOM 0 HB2 GLU A 112 8.178 -3.006 -14.430 1.00 72.03 H new ATOM 0 HB3 GLU A 112 6.861 -3.360 -13.329 1.00 72.03 H new ATOM 0 HG2 GLU A 112 6.908 -0.962 -12.559 1.00 74.01 H new ATOM 0 HG3 GLU A 112 8.155 -0.633 -13.745 1.00 74.01 H new ATOM 1907 N ALA A 113 7.293 -3.473 -10.464 1.00 4.04 N ATOM 1908 CA ALA A 113 6.647 -3.228 -9.170 1.00 0.45 C ATOM 1909 C ALA A 113 7.668 -3.146 -8.030 1.00 22.44 C ATOM 1910 O ALA A 113 7.600 -2.233 -7.215 1.00 55.34 O ATOM 1911 CB ALA A 113 5.617 -4.320 -8.874 1.00 25.41 C ATOM 0 H ALA A 113 6.968 -4.321 -10.928 1.00 4.04 H new ATOM 0 HA ALA A 113 6.142 -2.264 -9.234 1.00 0.45 H new ATOM 0 HB1 ALA A 113 5.146 -4.125 -7.911 1.00 25.41 H new ATOM 0 HB2 ALA A 113 4.857 -4.325 -9.655 1.00 25.41 H new ATOM 0 HB3 ALA A 113 6.113 -5.290 -8.845 1.00 25.41 H new ATOM 1917 N LEU A 114 8.629 -4.094 -8.026 1.00 13.23 N ATOM 1918 CA LEU A 114 9.689 -4.174 -6.999 1.00 73.24 C ATOM 1919 C LEU A 114 10.603 -2.940 -7.022 1.00 54.22 C ATOM 1920 O LEU A 114 11.069 -2.495 -5.974 1.00 3.33 O ATOM 1921 CB LEU A 114 10.525 -5.466 -7.185 1.00 35.42 C ATOM 1922 CG LEU A 114 9.738 -6.793 -6.985 1.00 34.42 C ATOM 1923 CD1 LEU A 114 10.641 -8.017 -7.215 1.00 13.34 C ATOM 1924 CD2 LEU A 114 9.080 -6.837 -5.593 1.00 31.51 C ATOM 0 H LEU A 114 8.692 -4.825 -8.734 1.00 13.23 H new ATOM 0 HA LEU A 114 9.199 -4.202 -6.026 1.00 73.24 H new ATOM 0 HB2 LEU A 114 10.953 -5.463 -8.187 1.00 35.42 H new ATOM 0 HB3 LEU A 114 11.358 -5.446 -6.483 1.00 35.42 H new ATOM 0 HG LEU A 114 8.944 -6.827 -7.731 1.00 34.42 H new ATOM 0 HD11 LEU A 114 10.062 -8.929 -7.068 1.00 13.34 H new ATOM 0 HD12 LEU A 114 11.031 -7.995 -8.232 1.00 13.34 H new ATOM 0 HD13 LEU A 114 11.470 -7.995 -6.508 1.00 13.34 H new ATOM 0 HD21 LEU A 114 8.536 -7.774 -5.477 1.00 31.51 H new ATOM 0 HD22 LEU A 114 9.850 -6.767 -4.824 1.00 31.51 H new ATOM 0 HD23 LEU A 114 8.388 -6.001 -5.491 1.00 31.51 H new ATOM 1936 N LYS A 115 10.831 -2.398 -8.232 1.00 52.01 N ATOM 1937 CA LYS A 115 11.585 -1.149 -8.428 1.00 33.10 C ATOM 1938 C LYS A 115 10.848 0.015 -7.742 1.00 40.12 C ATOM 1939 O LYS A 115 11.451 0.781 -6.995 1.00 53.05 O ATOM 1940 CB LYS A 115 11.766 -0.861 -9.945 1.00 44.42 C ATOM 1941 CG LYS A 115 12.551 -1.946 -10.715 1.00 31.33 C ATOM 1942 CD LYS A 115 12.503 -1.784 -12.262 1.00 33.11 C ATOM 1943 CE LYS A 115 13.308 -0.588 -12.812 1.00 52.34 C ATOM 1944 NZ LYS A 115 12.686 0.730 -12.519 1.00 21.43 N ATOM 0 H LYS A 115 10.497 -2.815 -9.101 1.00 52.01 H new ATOM 0 HA LYS A 115 12.573 -1.254 -7.980 1.00 33.10 H new ATOM 0 HB2 LYS A 115 10.782 -0.751 -10.401 1.00 44.42 H new ATOM 0 HB3 LYS A 115 12.280 0.093 -10.062 1.00 44.42 H new ATOM 0 HG2 LYS A 115 13.591 -1.927 -10.390 1.00 31.33 H new ATOM 0 HG3 LYS A 115 12.152 -2.925 -10.450 1.00 31.33 H new ATOM 0 HD2 LYS A 115 12.878 -2.699 -12.721 1.00 33.11 H new ATOM 0 HD3 LYS A 115 11.463 -1.676 -12.570 1.00 33.11 H new ATOM 0 HE2 LYS A 115 14.312 -0.610 -12.387 1.00 52.34 H new ATOM 0 HE3 LYS A 115 13.416 -0.698 -13.891 1.00 52.34 H new ATOM 0 HZ1 LYS A 115 12.797 1.357 -13.341 1.00 21.43 H new ATOM 0 HZ2 LYS A 115 11.674 0.599 -12.318 1.00 21.43 H new ATOM 0 HZ3 LYS A 115 13.151 1.157 -11.693 1.00 21.43 H new ATOM 1958 N ILE A 116 9.519 0.079 -7.959 1.00 14.24 N ATOM 1959 CA ILE A 116 8.657 1.144 -7.409 1.00 13.41 C ATOM 1960 C ILE A 116 8.533 1.028 -5.871 1.00 31.14 C ATOM 1961 O ILE A 116 8.418 2.045 -5.179 1.00 65.11 O ATOM 1962 CB ILE A 116 7.233 1.125 -8.077 1.00 13.30 C ATOM 1963 CG1 ILE A 116 7.342 1.195 -9.631 1.00 23.34 C ATOM 1964 CG2 ILE A 116 6.344 2.270 -7.548 1.00 14.24 C ATOM 1965 CD1 ILE A 116 7.991 2.450 -10.188 1.00 73.14 C ATOM 0 H ILE A 116 9.013 -0.606 -8.520 1.00 14.24 H new ATOM 0 HA ILE A 116 9.131 2.098 -7.641 1.00 13.41 H new ATOM 0 HB ILE A 116 6.761 0.180 -7.806 1.00 13.30 H new ATOM 0 HG12 ILE A 116 7.909 0.331 -9.977 1.00 23.34 H new ATOM 0 HG13 ILE A 116 6.340 1.108 -10.052 1.00 23.34 H new ATOM 0 HG21 ILE A 116 5.368 2.226 -8.031 1.00 14.24 H new ATOM 0 HG22 ILE A 116 6.220 2.166 -6.470 1.00 14.24 H new ATOM 0 HG23 ILE A 116 6.815 3.228 -7.768 1.00 14.24 H new ATOM 0 HD11 ILE A 116 8.016 2.395 -11.276 1.00 73.14 H new ATOM 0 HD12 ILE A 116 7.416 3.324 -9.882 1.00 73.14 H new ATOM 0 HD13 ILE A 116 9.008 2.534 -9.806 1.00 73.14 H new ATOM 1977 N VAL A 117 8.565 -0.218 -5.355 1.00 45.41 N ATOM 1978 CA VAL A 117 8.608 -0.491 -3.905 1.00 41.32 C ATOM 1979 C VAL A 117 9.876 0.133 -3.298 1.00 62.32 C ATOM 1980 O VAL A 117 9.796 0.905 -2.343 1.00 61.41 O ATOM 1981 CB VAL A 117 8.571 -2.039 -3.602 1.00 71.43 C ATOM 1982 CG1 VAL A 117 8.778 -2.344 -2.101 1.00 13.42 C ATOM 1983 CG2 VAL A 117 7.252 -2.666 -4.092 1.00 14.12 C ATOM 0 H VAL A 117 8.562 -1.060 -5.930 1.00 45.41 H new ATOM 0 HA VAL A 117 7.724 -0.044 -3.452 1.00 41.32 H new ATOM 0 HB VAL A 117 9.401 -2.486 -4.149 1.00 71.43 H new ATOM 0 HG11 VAL A 117 8.745 -3.422 -1.941 1.00 13.42 H new ATOM 0 HG12 VAL A 117 9.747 -1.959 -1.782 1.00 13.42 H new ATOM 0 HG13 VAL A 117 7.989 -1.866 -1.520 1.00 13.42 H new ATOM 0 HG21 VAL A 117 7.252 -3.733 -3.871 1.00 14.12 H new ATOM 0 HG22 VAL A 117 6.413 -2.191 -3.585 1.00 14.12 H new ATOM 0 HG23 VAL A 117 7.156 -2.518 -5.168 1.00 14.12 H new ATOM 1993 N ARG A 118 11.029 -0.159 -3.935 1.00 31.44 N ATOM 1994 CA ARG A 118 12.346 0.346 -3.505 1.00 53.31 C ATOM 1995 C ARG A 118 12.377 1.885 -3.569 1.00 75.21 C ATOM 1996 O ARG A 118 13.017 2.520 -2.730 1.00 30.44 O ATOM 1997 CB ARG A 118 13.478 -0.263 -4.377 1.00 70.15 C ATOM 1998 CG ARG A 118 13.616 -1.794 -4.251 1.00 1.01 C ATOM 1999 CD ARG A 118 14.633 -2.387 -5.237 1.00 64.32 C ATOM 2000 NE ARG A 118 14.670 -3.855 -5.148 1.00 0.01 N ATOM 2001 CZ ARG A 118 14.857 -4.704 -6.171 1.00 32.31 C ATOM 2002 NH1 ARG A 118 15.038 -4.267 -7.415 1.00 32.53 N ATOM 2003 NH2 ARG A 118 14.852 -6.002 -5.934 1.00 51.15 N ATOM 0 H ARG A 118 11.071 -0.753 -4.763 1.00 31.44 H new ATOM 0 HA ARG A 118 12.513 0.041 -2.472 1.00 53.31 H new ATOM 0 HB2 ARG A 118 13.293 -0.010 -5.421 1.00 70.15 H new ATOM 0 HB3 ARG A 118 14.425 0.200 -4.100 1.00 70.15 H new ATOM 0 HG2 ARG A 118 13.916 -2.044 -3.233 1.00 1.01 H new ATOM 0 HG3 ARG A 118 12.643 -2.256 -4.419 1.00 1.01 H new ATOM 0 HD2 ARG A 118 14.374 -2.088 -6.253 1.00 64.32 H new ATOM 0 HD3 ARG A 118 15.624 -1.983 -5.028 1.00 64.32 H new ATOM 0 HE ARG A 118 14.542 -4.266 -4.223 1.00 0.01 H new ATOM 0 HH11 ARG A 118 15.037 -3.266 -7.609 1.00 32.53 H new ATOM 0 HH12 ARG A 118 15.178 -4.933 -8.174 1.00 32.53 H new ATOM 0 HH21 ARG A 118 14.708 -6.347 -4.985 1.00 51.15 H new ATOM 0 HH22 ARG A 118 14.993 -6.661 -6.700 1.00 51.15 H new ATOM 2017 N GLU A 119 11.644 2.462 -4.554 1.00 72.11 N ATOM 2018 CA GLU A 119 11.464 3.921 -4.678 1.00 22.53 C ATOM 2019 C GLU A 119 10.698 4.472 -3.466 1.00 75.54 C ATOM 2020 O GLU A 119 11.180 5.383 -2.804 1.00 64.50 O ATOM 2021 CB GLU A 119 10.726 4.299 -5.996 1.00 13.13 C ATOM 2022 CG GLU A 119 11.518 3.991 -7.280 1.00 45.24 C ATOM 2023 CD GLU A 119 12.893 4.684 -7.328 1.00 10.01 C ATOM 2024 OE1 GLU A 119 12.949 5.900 -7.623 1.00 74.25 O ATOM 2025 OE2 GLU A 119 13.920 4.028 -7.056 1.00 45.34 O ATOM 0 H GLU A 119 11.165 1.927 -5.279 1.00 72.11 H new ATOM 0 HA GLU A 119 12.456 4.373 -4.709 1.00 22.53 H new ATOM 0 HB2 GLU A 119 9.777 3.765 -6.032 1.00 13.13 H new ATOM 0 HB3 GLU A 119 10.492 5.363 -5.975 1.00 13.13 H new ATOM 0 HG2 GLU A 119 11.659 2.913 -7.362 1.00 45.24 H new ATOM 0 HG3 GLU A 119 10.931 4.303 -8.144 1.00 45.24 H new ATOM 2032 N PHE A 120 9.526 3.867 -3.167 1.00 40.33 N ATOM 2033 CA PHE A 120 8.670 4.243 -2.014 1.00 51.13 C ATOM 2034 C PHE A 120 9.453 4.236 -0.683 1.00 62.22 C ATOM 2035 O PHE A 120 9.218 5.071 0.194 1.00 51.11 O ATOM 2036 CB PHE A 120 7.450 3.279 -1.900 1.00 1.42 C ATOM 2037 CG PHE A 120 6.370 3.430 -2.983 1.00 65.41 C ATOM 2038 CD1 PHE A 120 6.071 4.676 -3.547 1.00 12.34 C ATOM 2039 CD2 PHE A 120 5.609 2.328 -3.388 1.00 11.13 C ATOM 2040 CE1 PHE A 120 5.067 4.806 -4.492 1.00 64.25 C ATOM 2041 CE2 PHE A 120 4.604 2.469 -4.325 1.00 1.13 C ATOM 2042 CZ PHE A 120 4.329 3.706 -4.871 1.00 3.32 C ATOM 0 H PHE A 120 9.144 3.100 -3.720 1.00 40.33 H new ATOM 0 HA PHE A 120 8.321 5.259 -2.198 1.00 51.13 H new ATOM 0 HB2 PHE A 120 7.819 2.254 -1.923 1.00 1.42 H new ATOM 0 HB3 PHE A 120 6.984 3.428 -0.926 1.00 1.42 H new ATOM 0 HD1 PHE A 120 6.631 5.547 -3.241 1.00 12.34 H new ATOM 0 HD2 PHE A 120 5.810 1.356 -2.963 1.00 11.13 H new ATOM 0 HE1 PHE A 120 4.862 5.771 -4.932 1.00 64.25 H new ATOM 0 HE2 PHE A 120 4.031 1.607 -4.632 1.00 1.13 H new ATOM 0 HZ PHE A 120 3.535 3.812 -5.596 1.00 3.32 H new ATOM 2052 N MET A 121 10.395 3.290 -0.579 1.00 41.40 N ATOM 2053 CA MET A 121 11.247 3.102 0.604 1.00 64.32 C ATOM 2054 C MET A 121 12.368 4.168 0.676 1.00 4.12 C ATOM 2055 O MET A 121 12.909 4.419 1.755 1.00 13.44 O ATOM 2056 CB MET A 121 11.823 1.663 0.584 1.00 33.24 C ATOM 2057 CG MET A 121 10.744 0.565 0.584 1.00 43.14 C ATOM 2058 SD MET A 121 11.415 -1.082 0.294 1.00 12.25 S ATOM 2059 CE MET A 121 12.319 -1.353 1.809 1.00 11.11 C ATOM 0 H MET A 121 10.590 2.623 -1.326 1.00 41.40 H new ATOM 0 HA MET A 121 10.645 3.233 1.503 1.00 64.32 H new ATOM 0 HB2 MET A 121 12.450 1.544 -0.300 1.00 33.24 H new ATOM 0 HB3 MET A 121 12.467 1.527 1.452 1.00 33.24 H new ATOM 0 HG2 MET A 121 10.223 0.576 1.541 1.00 43.14 H new ATOM 0 HG3 MET A 121 10.004 0.790 -0.184 1.00 43.14 H new ATOM 0 HE1 MET A 121 12.864 -2.295 1.744 1.00 11.11 H new ATOM 0 HE2 MET A 121 13.024 -0.536 1.963 1.00 11.11 H new ATOM 0 HE3 MET A 121 11.622 -1.394 2.646 1.00 11.11 H new ATOM 2069 N GLN A 122 12.712 4.790 -0.483 1.00 72.43 N ATOM 2070 CA GLN A 122 13.637 5.952 -0.526 1.00 61.13 C ATOM 2071 C GLN A 122 12.930 7.203 0.028 1.00 54.53 C ATOM 2072 O GLN A 122 13.530 7.975 0.782 1.00 64.23 O ATOM 2073 CB GLN A 122 14.156 6.251 -1.967 1.00 41.20 C ATOM 2074 CG GLN A 122 14.836 5.073 -2.688 1.00 3.40 C ATOM 2075 CD GLN A 122 15.943 4.392 -1.878 1.00 41.41 C ATOM 2076 OE1 GLN A 122 17.112 4.775 -1.939 1.00 21.32 O ATOM 2077 NE2 GLN A 122 15.588 3.357 -1.135 1.00 44.51 N ATOM 0 H GLN A 122 12.363 4.506 -1.398 1.00 72.43 H new ATOM 0 HA GLN A 122 14.499 5.697 0.090 1.00 61.13 H new ATOM 0 HB2 GLN A 122 13.316 6.588 -2.574 1.00 41.20 H new ATOM 0 HB3 GLN A 122 14.864 7.078 -1.914 1.00 41.20 H new ATOM 0 HG2 GLN A 122 14.079 4.331 -2.941 1.00 3.40 H new ATOM 0 HG3 GLN A 122 15.257 5.432 -3.627 1.00 3.40 H new ATOM 0 HE21 GLN A 122 14.612 3.062 -1.104 1.00 44.51 H new ATOM 0 HE22 GLN A 122 16.290 2.853 -0.593 1.00 44.51 H new ATOM 2086 N LYS A 123 11.643 7.386 -0.361 1.00 70.05 N ATOM 2087 CA LYS A 123 10.800 8.484 0.164 1.00 71.13 C ATOM 2088 C LYS A 123 10.576 8.282 1.677 1.00 21.24 C ATOM 2089 O LYS A 123 10.666 9.232 2.448 1.00 53.33 O ATOM 2090 CB LYS A 123 9.408 8.598 -0.552 1.00 23.33 C ATOM 2091 CG LYS A 123 9.402 9.090 -2.032 1.00 24.44 C ATOM 2092 CD LYS A 123 9.791 7.985 -3.025 1.00 63.23 C ATOM 2093 CE LYS A 123 9.643 8.385 -4.495 1.00 10.34 C ATOM 2094 NZ LYS A 123 10.585 9.462 -4.886 1.00 43.34 N ATOM 0 H LYS A 123 11.169 6.786 -1.036 1.00 70.05 H new ATOM 0 HA LYS A 123 11.337 9.412 -0.033 1.00 71.13 H new ATOM 0 HB2 LYS A 123 8.931 7.618 -0.521 1.00 23.33 H new ATOM 0 HB3 LYS A 123 8.784 9.275 0.031 1.00 23.33 H new ATOM 0 HG2 LYS A 123 8.409 9.465 -2.282 1.00 24.44 H new ATOM 0 HG3 LYS A 123 10.094 9.926 -2.136 1.00 24.44 H new ATOM 0 HD2 LYS A 123 10.825 7.694 -2.841 1.00 63.23 H new ATOM 0 HD3 LYS A 123 9.174 7.107 -2.835 1.00 63.23 H new ATOM 0 HE2 LYS A 123 9.812 7.512 -5.125 1.00 10.34 H new ATOM 0 HE3 LYS A 123 8.621 8.716 -4.677 1.00 10.34 H new ATOM 0 HZ1 LYS A 123 10.446 9.697 -5.889 1.00 43.34 H new ATOM 0 HZ2 LYS A 123 10.408 10.306 -4.305 1.00 43.34 H new ATOM 0 HZ3 LYS A 123 11.562 9.139 -4.739 1.00 43.34 H new ATOM 2108 N ALA A 124 10.344 7.010 2.075 1.00 34.43 N ATOM 2109 CA ALA A 124 10.087 6.620 3.477 1.00 63.43 C ATOM 2110 C ALA A 124 11.321 6.891 4.350 1.00 72.24 C ATOM 2111 O ALA A 124 11.197 7.321 5.503 1.00 20.11 O ATOM 2112 CB ALA A 124 9.671 5.143 3.550 1.00 13.31 C ATOM 0 H ALA A 124 10.330 6.222 1.427 1.00 34.43 H new ATOM 0 HA ALA A 124 9.267 7.225 3.863 1.00 63.43 H new ATOM 0 HB1 ALA A 124 9.485 4.868 4.588 1.00 13.31 H new ATOM 0 HB2 ALA A 124 8.763 4.991 2.966 1.00 13.31 H new ATOM 0 HB3 ALA A 124 10.470 4.520 3.148 1.00 13.31 H new ATOM 2118 N GLY A 125 12.509 6.648 3.760 1.00 70.03 N ATOM 2119 CA GLY A 125 13.785 6.970 4.390 1.00 23.41 C ATOM 2120 C GLY A 125 13.990 8.473 4.545 1.00 54.13 C ATOM 2121 O GLY A 125 14.456 8.929 5.585 1.00 61.34 O ATOM 0 H GLY A 125 12.600 6.224 2.837 1.00 70.03 H new ATOM 0 HA2 GLY A 125 13.834 6.496 5.370 1.00 23.41 H new ATOM 0 HA3 GLY A 125 14.597 6.554 3.794 1.00 23.41 H new ATOM 2125 N SER A 126 13.596 9.245 3.504 1.00 64.12 N ATOM 2126 CA SER A 126 13.695 10.726 3.501 1.00 13.40 C ATOM 2127 C SER A 126 12.798 11.366 4.588 1.00 34.24 C ATOM 2128 O SER A 126 13.108 12.450 5.090 1.00 55.01 O ATOM 2129 CB SER A 126 13.321 11.277 2.107 1.00 12.15 C ATOM 2130 OG SER A 126 14.188 10.764 1.105 1.00 50.32 O ATOM 0 H SER A 126 13.202 8.861 2.645 1.00 64.12 H new ATOM 0 HA SER A 126 14.727 10.990 3.731 1.00 13.40 H new ATOM 0 HB2 SER A 126 12.291 11.011 1.872 1.00 12.15 H new ATOM 0 HB3 SER A 126 13.375 12.366 2.116 1.00 12.15 H new ATOM 0 HG SER A 126 13.998 9.813 0.964 1.00 50.32 H new ATOM 2136 N LEU A 127 11.701 10.667 4.948 1.00 35.32 N ATOM 2137 CA LEU A 127 10.774 11.098 6.019 1.00 54.51 C ATOM 2138 C LEU A 127 11.467 11.015 7.389 1.00 1.10 C ATOM 2139 O LEU A 127 11.302 11.888 8.246 1.00 21.35 O ATOM 2140 CB LEU A 127 9.508 10.200 6.025 1.00 62.41 C ATOM 2141 CG LEU A 127 8.675 10.196 4.711 1.00 62.35 C ATOM 2142 CD1 LEU A 127 7.590 9.106 4.745 1.00 63.13 C ATOM 2143 CD2 LEU A 127 8.079 11.590 4.421 1.00 53.44 C ATOM 0 H LEU A 127 11.432 9.788 4.505 1.00 35.32 H new ATOM 0 HA LEU A 127 10.482 12.131 5.827 1.00 54.51 H new ATOM 0 HB2 LEU A 127 9.813 9.176 6.243 1.00 62.41 H new ATOM 0 HB3 LEU A 127 8.862 10.521 6.842 1.00 62.41 H new ATOM 0 HG LEU A 127 9.349 9.957 3.888 1.00 62.35 H new ATOM 0 HD11 LEU A 127 7.024 9.127 3.814 1.00 63.13 H new ATOM 0 HD12 LEU A 127 8.059 8.129 4.862 1.00 63.13 H new ATOM 0 HD13 LEU A 127 6.917 9.288 5.583 1.00 63.13 H new ATOM 0 HD21 LEU A 127 7.503 11.554 3.496 1.00 53.44 H new ATOM 0 HD22 LEU A 127 7.428 11.885 5.243 1.00 53.44 H new ATOM 0 HD23 LEU A 127 8.885 12.316 4.318 1.00 53.44 H new