USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 20 LYS NZ :NH3+ -149:sc= 0.175 (180deg=-0.5) USER MOD Set 1.2: A 76 SER OG : rot -94:sc=0.000529 USER MOD Set 1.3: A 77 ASN : amide:sc= -1.16 K(o=-0.98,f=-3.1) USER MOD Set 2.1: A 1 MET CE :methyl 149:sc= -0.084 (180deg=-0.356) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.266 K(o=-0.35,f=-3.6) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -162:sc= 0.554 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.057) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00913) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.46! C(o=-1.5!,f=-1.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.000395) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 40 LYS NZ :NH3+ -110:sc= 0.281 (180deg=-0.254) USER MOD Single : A 43 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.56) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00748) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= 0.757 (180deg=0.624) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.0213 (180deg=-0.178) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -110:sc= -0.622 (180deg=-2.79!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 LYS NZ :NH3+ -154:sc= 0.051 (180deg=-0.172) USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= 1.25 (180deg=0.0409) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 68 ASN : amide:sc= -2.17! K(o=-2.2!,f=-0.013) USER MOD Single : A 70 GLN : amide:sc= -0.888 X(o=-0.89,f=-1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0051 X(o=-0.0051,f=-0.0051) USER MOD Single : A 85 LYS NZ :NH3+ 138:sc= 0.0937 (180deg=-0.354) USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= -0.538 (180deg=-2.54!) USER MOD Single : A 90 SER OG : rot 62:sc= 0.145 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-0.79) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.453 15.759 -8.313 1.00 22.34 N ATOM 2 CA MET A 1 3.170 14.310 -8.204 1.00 30.12 C ATOM 3 C MET A 1 3.821 13.732 -6.932 1.00 34.50 C ATOM 4 O MET A 1 5.036 13.864 -6.728 1.00 62.23 O ATOM 5 CB MET A 1 3.676 13.564 -9.476 1.00 0.51 C ATOM 6 CG MET A 1 3.528 12.025 -9.435 1.00 3.31 C ATOM 7 SD MET A 1 3.982 11.216 -10.989 1.00 74.44 S ATOM 8 CE MET A 1 5.672 11.759 -11.207 1.00 65.43 C ATOM 0 H1 MET A 1 3.009 16.136 -9.174 1.00 22.34 H new ATOM 0 H2 MET A 1 3.069 16.251 -7.481 1.00 22.34 H new ATOM 0 H3 MET A 1 4.481 15.909 -8.360 1.00 22.34 H new ATOM 0 HA MET A 1 2.092 14.166 -8.130 1.00 30.12 H new ATOM 0 HB2 MET A 1 3.132 13.943 -10.341 1.00 0.51 H new ATOM 0 HB3 MET A 1 4.727 13.809 -9.628 1.00 0.51 H new ATOM 0 HG2 MET A 1 4.151 11.629 -8.633 1.00 3.31 H new ATOM 0 HG3 MET A 1 2.496 11.773 -9.191 1.00 3.31 H new ATOM 0 HE1 MET A 1 6.237 10.989 -11.732 1.00 65.43 H new ATOM 0 HE2 MET A 1 5.686 12.680 -11.790 1.00 65.43 H new ATOM 0 HE3 MET A 1 6.125 11.940 -10.232 1.00 65.43 H new ATOM 20 N GLY A 2 2.997 13.085 -6.091 1.00 23.43 N ATOM 21 CA GLY A 2 3.458 12.418 -4.868 1.00 65.33 C ATOM 22 C GLY A 2 2.537 11.274 -4.519 1.00 5.32 C ATOM 23 O GLY A 2 2.163 11.102 -3.354 1.00 42.51 O ATOM 0 H GLY A 2 1.991 13.011 -6.243 1.00 23.43 H new ATOM 0 HA2 GLY A 2 4.473 12.047 -5.008 1.00 65.33 H new ATOM 0 HA3 GLY A 2 3.490 13.132 -4.045 1.00 65.33 H new ATOM 27 N ARG A 3 2.212 10.473 -5.561 1.00 3.32 N ATOM 28 CA ARG A 3 1.077 9.532 -5.558 1.00 3.41 C ATOM 29 C ARG A 3 1.212 8.410 -4.514 1.00 35.05 C ATOM 30 O ARG A 3 2.320 8.059 -4.098 1.00 65.35 O ATOM 31 CB ARG A 3 0.846 8.953 -6.976 1.00 4.34 C ATOM 32 CG ARG A 3 1.981 8.075 -7.537 1.00 54.23 C ATOM 33 CD ARG A 3 1.670 7.576 -8.959 1.00 11.11 C ATOM 34 NE ARG A 3 0.332 6.955 -9.036 1.00 13.24 N ATOM 35 CZ ARG A 3 -0.312 6.630 -10.172 1.00 72.35 C ATOM 36 NH1 ARG A 3 0.241 6.845 -11.355 1.00 62.42 N ATOM 37 NH2 ARG A 3 -1.530 6.128 -10.101 1.00 11.42 N ATOM 0 H ARG A 3 2.739 10.465 -6.434 1.00 3.32 H new ATOM 0 HA ARG A 3 0.200 10.108 -5.262 1.00 3.41 H new ATOM 0 HB2 ARG A 3 -0.070 8.363 -6.962 1.00 4.34 H new ATOM 0 HB3 ARG A 3 0.681 9.782 -7.664 1.00 4.34 H new ATOM 0 HG2 ARG A 3 2.910 8.645 -7.547 1.00 54.23 H new ATOM 0 HG3 ARG A 3 2.139 7.221 -6.879 1.00 54.23 H new ATOM 0 HD2 ARG A 3 1.726 8.410 -9.658 1.00 11.11 H new ATOM 0 HD3 ARG A 3 2.426 6.853 -9.265 1.00 11.11 H new ATOM 0 HE ARG A 3 -0.143 6.756 -8.156 1.00 13.24 H new ATOM 0 HH11 ARG A 3 1.169 7.263 -11.416 1.00 62.42 H new ATOM 0 HH12 ARG A 3 -0.261 6.593 -12.206 1.00 62.42 H new ATOM 0 HH21 ARG A 3 -1.973 5.990 -9.192 1.00 11.42 H new ATOM 0 HH22 ARG A 3 -2.029 5.878 -10.955 1.00 11.42 H new ATOM 51 N LEU A 4 0.051 7.874 -4.097 1.00 31.53 N ATOM 52 CA LEU A 4 -0.056 6.894 -3.007 1.00 51.01 C ATOM 53 C LEU A 4 -0.610 5.544 -3.508 1.00 21.10 C ATOM 54 O LEU A 4 -1.701 5.489 -4.093 1.00 60.22 O ATOM 55 CB LEU A 4 -0.970 7.473 -1.891 1.00 54.23 C ATOM 56 CG LEU A 4 -1.132 6.599 -0.604 1.00 74.44 C ATOM 57 CD1 LEU A 4 0.225 6.347 0.071 1.00 14.52 C ATOM 58 CD2 LEU A 4 -2.139 7.235 0.378 1.00 63.04 C ATOM 0 H LEU A 4 -0.849 8.114 -4.514 1.00 31.53 H new ATOM 0 HA LEU A 4 0.941 6.707 -2.609 1.00 51.01 H new ATOM 0 HB2 LEU A 4 -0.576 8.446 -1.596 1.00 54.23 H new ATOM 0 HB3 LEU A 4 -1.960 7.645 -2.314 1.00 54.23 H new ATOM 0 HG LEU A 4 -1.533 5.632 -0.907 1.00 74.44 H new ATOM 0 HD11 LEU A 4 0.080 5.737 0.963 1.00 14.52 H new ATOM 0 HD12 LEU A 4 0.885 5.826 -0.622 1.00 14.52 H new ATOM 0 HD13 LEU A 4 0.674 7.300 0.352 1.00 14.52 H new ATOM 0 HD21 LEU A 4 -2.231 6.606 1.263 1.00 63.04 H new ATOM 0 HD22 LEU A 4 -1.786 8.224 0.671 1.00 63.04 H new ATOM 0 HD23 LEU A 4 -3.112 7.325 -0.106 1.00 63.04 H new ATOM 70 N VAL A 5 0.161 4.463 -3.278 1.00 32.32 N ATOM 71 CA VAL A 5 -0.311 3.073 -3.443 1.00 25.12 C ATOM 72 C VAL A 5 -0.673 2.523 -2.058 1.00 71.45 C ATOM 73 O VAL A 5 0.174 2.489 -1.166 1.00 33.10 O ATOM 74 CB VAL A 5 0.767 2.135 -4.122 1.00 20.31 C ATOM 75 CG1 VAL A 5 0.350 0.639 -4.083 1.00 53.11 C ATOM 76 CG2 VAL A 5 1.042 2.569 -5.575 1.00 70.25 C ATOM 0 H VAL A 5 1.132 4.529 -2.972 1.00 32.32 H new ATOM 0 HA VAL A 5 -1.176 3.085 -4.106 1.00 25.12 H new ATOM 0 HB VAL A 5 1.684 2.240 -3.542 1.00 20.31 H new ATOM 0 HG11 VAL A 5 1.121 0.034 -4.561 1.00 53.11 H new ATOM 0 HG12 VAL A 5 0.230 0.322 -3.047 1.00 53.11 H new ATOM 0 HG13 VAL A 5 -0.593 0.510 -4.614 1.00 53.11 H new ATOM 0 HG21 VAL A 5 1.787 1.907 -6.018 1.00 70.25 H new ATOM 0 HG22 VAL A 5 0.119 2.514 -6.152 1.00 70.25 H new ATOM 0 HG23 VAL A 5 1.415 3.593 -5.584 1.00 70.25 H new ATOM 86 N VAL A 6 -1.936 2.113 -1.878 1.00 53.05 N ATOM 87 CA VAL A 6 -2.406 1.503 -0.632 1.00 3.44 C ATOM 88 C VAL A 6 -2.470 -0.022 -0.811 1.00 10.20 C ATOM 89 O VAL A 6 -3.417 -0.558 -1.388 1.00 64.41 O ATOM 90 CB VAL A 6 -3.810 2.054 -0.213 1.00 40.33 C ATOM 91 CG1 VAL A 6 -4.221 1.517 1.180 1.00 4.02 C ATOM 92 CG2 VAL A 6 -3.832 3.601 -0.260 1.00 62.04 C ATOM 0 H VAL A 6 -2.658 2.196 -2.593 1.00 53.05 H new ATOM 0 HA VAL A 6 -1.704 1.757 0.162 1.00 3.44 H new ATOM 0 HB VAL A 6 -4.547 1.695 -0.931 1.00 40.33 H new ATOM 0 HG11 VAL A 6 -5.200 1.914 1.449 1.00 4.02 H new ATOM 0 HG12 VAL A 6 -4.266 0.428 1.151 1.00 4.02 H new ATOM 0 HG13 VAL A 6 -3.486 1.830 1.922 1.00 4.02 H new ATOM 0 HG21 VAL A 6 -4.818 3.960 0.035 1.00 62.04 H new ATOM 0 HG22 VAL A 6 -3.082 3.997 0.425 1.00 62.04 H new ATOM 0 HG23 VAL A 6 -3.612 3.937 -1.273 1.00 62.04 H new ATOM 102 N VAL A 7 -1.442 -0.701 -0.316 1.00 13.53 N ATOM 103 CA VAL A 7 -1.345 -2.158 -0.347 1.00 43.12 C ATOM 104 C VAL A 7 -2.110 -2.748 0.853 1.00 24.24 C ATOM 105 O VAL A 7 -1.876 -2.360 1.992 1.00 24.10 O ATOM 106 CB VAL A 7 0.155 -2.598 -0.310 1.00 4.13 C ATOM 107 CG1 VAL A 7 0.315 -4.129 -0.376 1.00 33.52 C ATOM 108 CG2 VAL A 7 0.977 -1.897 -1.419 1.00 22.21 C ATOM 0 H VAL A 7 -0.640 -0.250 0.125 1.00 13.53 H new ATOM 0 HA VAL A 7 -1.789 -2.531 -1.270 1.00 43.12 H new ATOM 0 HB VAL A 7 0.554 -2.279 0.653 1.00 4.13 H new ATOM 0 HG11 VAL A 7 1.374 -4.386 -0.347 1.00 33.52 H new ATOM 0 HG12 VAL A 7 -0.192 -4.585 0.474 1.00 33.52 H new ATOM 0 HG13 VAL A 7 -0.124 -4.501 -1.302 1.00 33.52 H new ATOM 0 HG21 VAL A 7 2.015 -2.225 -1.365 1.00 22.21 H new ATOM 0 HG22 VAL A 7 0.565 -2.155 -2.395 1.00 22.21 H new ATOM 0 HG23 VAL A 7 0.930 -0.817 -1.279 1.00 22.21 H new ATOM 118 N VAL A 8 -3.021 -3.683 0.572 1.00 65.12 N ATOM 119 CA VAL A 8 -3.896 -4.323 1.573 1.00 72.21 C ATOM 120 C VAL A 8 -3.686 -5.847 1.523 1.00 74.21 C ATOM 121 O VAL A 8 -3.361 -6.388 0.470 1.00 74.13 O ATOM 122 CB VAL A 8 -5.403 -3.954 1.301 1.00 43.11 C ATOM 123 CG1 VAL A 8 -5.659 -2.435 1.506 1.00 41.04 C ATOM 124 CG2 VAL A 8 -5.845 -4.395 -0.117 1.00 73.23 C ATOM 0 H VAL A 8 -3.179 -4.027 -0.375 1.00 65.12 H new ATOM 0 HA VAL A 8 -3.640 -3.960 2.568 1.00 72.21 H new ATOM 0 HB VAL A 8 -6.006 -4.499 2.027 1.00 43.11 H new ATOM 0 HG11 VAL A 8 -6.708 -2.213 1.311 1.00 41.04 H new ATOM 0 HG12 VAL A 8 -5.415 -2.160 2.532 1.00 41.04 H new ATOM 0 HG13 VAL A 8 -5.034 -1.865 0.819 1.00 41.04 H new ATOM 0 HG21 VAL A 8 -6.890 -4.126 -0.273 1.00 73.23 H new ATOM 0 HG22 VAL A 8 -5.227 -3.895 -0.863 1.00 73.23 H new ATOM 0 HG23 VAL A 8 -5.730 -5.475 -0.215 1.00 73.23 H new ATOM 134 N THR A 9 -3.825 -6.530 2.669 1.00 4.01 N ATOM 135 CA THR A 9 -3.610 -7.999 2.773 1.00 52.11 C ATOM 136 C THR A 9 -4.921 -8.774 3.029 1.00 72.24 C ATOM 137 O THR A 9 -4.902 -10.011 3.110 1.00 50.44 O ATOM 138 CB THR A 9 -2.579 -8.301 3.908 1.00 72.32 C ATOM 139 OG1 THR A 9 -2.978 -7.605 5.106 1.00 32.23 O ATOM 140 CG2 THR A 9 -1.142 -7.888 3.521 1.00 63.13 C ATOM 0 H THR A 9 -4.088 -6.091 3.551 1.00 4.01 H new ATOM 0 HA THR A 9 -3.221 -8.340 1.814 1.00 52.11 H new ATOM 0 HB THR A 9 -2.572 -9.378 4.075 1.00 72.32 H new ATOM 0 HG1 THR A 9 -2.218 -7.552 5.722 1.00 32.23 H new ATOM 0 HG21 THR A 9 -0.464 -8.118 4.342 1.00 63.13 H new ATOM 0 HG22 THR A 9 -0.833 -8.436 2.631 1.00 63.13 H new ATOM 0 HG23 THR A 9 -1.114 -6.818 3.316 1.00 63.13 H new ATOM 148 N SER A 10 -6.059 -8.063 3.127 1.00 41.12 N ATOM 149 CA SER A 10 -7.376 -8.686 3.391 1.00 13.14 C ATOM 150 C SER A 10 -8.465 -8.066 2.496 1.00 73.31 C ATOM 151 O SER A 10 -8.348 -6.897 2.100 1.00 31.23 O ATOM 152 CB SER A 10 -7.754 -8.524 4.887 1.00 33.14 C ATOM 153 OG SER A 10 -6.806 -9.151 5.739 1.00 60.51 O ATOM 0 H SER A 10 -6.096 -7.049 3.027 1.00 41.12 H new ATOM 0 HA SER A 10 -7.306 -9.748 3.157 1.00 13.14 H new ATOM 0 HB2 SER A 10 -7.820 -7.464 5.133 1.00 33.14 H new ATOM 0 HB3 SER A 10 -8.740 -8.953 5.062 1.00 33.14 H new ATOM 0 HG SER A 10 -7.074 -9.028 6.673 1.00 60.51 H new ATOM 159 N GLU A 11 -9.499 -8.882 2.170 1.00 23.20 N ATOM 160 CA GLU A 11 -10.713 -8.454 1.438 1.00 14.34 C ATOM 161 C GLU A 11 -11.394 -7.266 2.134 1.00 75.31 C ATOM 162 O GLU A 11 -11.799 -6.315 1.473 1.00 51.14 O ATOM 163 CB GLU A 11 -11.724 -9.641 1.308 1.00 61.42 C ATOM 164 CG GLU A 11 -11.415 -10.651 0.178 1.00 71.03 C ATOM 165 CD GLU A 11 -11.724 -10.096 -1.228 1.00 61.43 C ATOM 166 OE1 GLU A 11 -12.908 -9.782 -1.491 1.00 1.31 O ATOM 167 OE2 GLU A 11 -10.806 -9.957 -2.065 1.00 75.10 O ATOM 0 H GLU A 11 -9.510 -9.872 2.414 1.00 23.20 H new ATOM 0 HA GLU A 11 -10.402 -8.138 0.442 1.00 14.34 H new ATOM 0 HB2 GLU A 11 -11.752 -10.179 2.256 1.00 61.42 H new ATOM 0 HB3 GLU A 11 -12.721 -9.231 1.144 1.00 61.42 H new ATOM 0 HG2 GLU A 11 -10.363 -10.933 0.228 1.00 71.03 H new ATOM 0 HG3 GLU A 11 -11.997 -11.558 0.340 1.00 71.03 H new ATOM 174 N GLN A 12 -11.504 -7.346 3.478 1.00 74.54 N ATOM 175 CA GLN A 12 -12.124 -6.290 4.304 1.00 50.33 C ATOM 176 C GLN A 12 -11.376 -4.954 4.156 1.00 40.14 C ATOM 177 O GLN A 12 -12.002 -3.896 4.116 1.00 44.43 O ATOM 178 CB GLN A 12 -12.179 -6.727 5.796 1.00 73.13 C ATOM 179 CG GLN A 12 -13.079 -7.954 6.071 1.00 53.14 C ATOM 180 CD GLN A 12 -14.546 -7.708 5.713 1.00 71.32 C ATOM 181 OE1 GLN A 12 -15.332 -7.226 6.528 1.00 62.13 O ATOM 182 NE2 GLN A 12 -14.936 -8.044 4.494 1.00 24.42 N ATOM 0 H GLN A 12 -11.166 -8.142 4.018 1.00 74.54 H new ATOM 0 HA GLN A 12 -13.144 -6.141 3.948 1.00 50.33 H new ATOM 0 HB2 GLN A 12 -11.167 -6.951 6.133 1.00 73.13 H new ATOM 0 HB3 GLN A 12 -12.536 -5.889 6.394 1.00 73.13 H new ATOM 0 HG2 GLN A 12 -12.709 -8.805 5.500 1.00 53.14 H new ATOM 0 HG3 GLN A 12 -13.007 -8.222 7.125 1.00 53.14 H new ATOM 0 HE21 GLN A 12 -14.266 -8.442 3.836 1.00 24.42 H new ATOM 0 HE22 GLN A 12 -15.907 -7.905 4.213 1.00 24.42 H new ATOM 191 N LEU A 13 -10.033 -5.027 4.065 1.00 51.33 N ATOM 192 CA LEU A 13 -9.174 -3.845 3.858 1.00 2.14 C ATOM 193 C LEU A 13 -9.310 -3.299 2.414 1.00 75.24 C ATOM 194 O LEU A 13 -9.273 -2.088 2.200 1.00 20.34 O ATOM 195 CB LEU A 13 -7.692 -4.212 4.141 1.00 41.43 C ATOM 196 CG LEU A 13 -7.362 -4.770 5.560 1.00 33.35 C ATOM 197 CD1 LEU A 13 -5.874 -5.183 5.665 1.00 32.02 C ATOM 198 CD2 LEU A 13 -7.754 -3.764 6.663 1.00 1.21 C ATOM 0 H LEU A 13 -9.516 -5.903 4.133 1.00 51.33 H new ATOM 0 HA LEU A 13 -9.497 -3.067 4.550 1.00 2.14 H new ATOM 0 HB2 LEU A 13 -7.379 -4.952 3.404 1.00 41.43 H new ATOM 0 HB3 LEU A 13 -7.085 -3.322 3.977 1.00 41.43 H new ATOM 0 HG LEU A 13 -7.961 -5.667 5.714 1.00 33.35 H new ATOM 0 HD11 LEU A 13 -5.673 -5.568 6.665 1.00 32.02 H new ATOM 0 HD12 LEU A 13 -5.658 -5.957 4.928 1.00 32.02 H new ATOM 0 HD13 LEU A 13 -5.241 -4.316 5.476 1.00 32.02 H new ATOM 0 HD21 LEU A 13 -7.511 -4.182 7.640 1.00 1.21 H new ATOM 0 HD22 LEU A 13 -7.204 -2.834 6.520 1.00 1.21 H new ATOM 0 HD23 LEU A 13 -8.824 -3.564 6.610 1.00 1.21 H new ATOM 210 N LYS A 14 -9.463 -4.221 1.441 1.00 22.23 N ATOM 211 CA LYS A 14 -9.569 -3.897 0.004 1.00 5.12 C ATOM 212 C LYS A 14 -10.829 -3.068 -0.289 1.00 24.34 C ATOM 213 O LYS A 14 -10.729 -1.930 -0.771 1.00 31.35 O ATOM 214 CB LYS A 14 -9.543 -5.213 -0.822 1.00 73.31 C ATOM 215 CG LYS A 14 -9.898 -5.069 -2.323 1.00 72.23 C ATOM 216 CD LYS A 14 -9.761 -6.412 -3.083 1.00 63.34 C ATOM 217 CE LYS A 14 -10.492 -6.428 -4.435 1.00 54.15 C ATOM 218 NZ LYS A 14 -10.077 -5.330 -5.337 1.00 42.22 N ATOM 0 H LYS A 14 -9.517 -5.221 1.633 1.00 22.23 H new ATOM 0 HA LYS A 14 -8.717 -3.283 -0.288 1.00 5.12 H new ATOM 0 HB2 LYS A 14 -8.548 -5.651 -0.743 1.00 73.31 H new ATOM 0 HB3 LYS A 14 -10.239 -5.919 -0.369 1.00 73.31 H new ATOM 0 HG2 LYS A 14 -10.919 -4.700 -2.420 1.00 72.23 H new ATOM 0 HG3 LYS A 14 -9.245 -4.325 -2.780 1.00 72.23 H new ATOM 0 HD2 LYS A 14 -8.704 -6.621 -3.248 1.00 63.34 H new ATOM 0 HD3 LYS A 14 -10.151 -7.215 -2.458 1.00 63.34 H new ATOM 0 HE2 LYS A 14 -10.309 -7.383 -4.928 1.00 54.15 H new ATOM 0 HE3 LYS A 14 -11.566 -6.360 -4.261 1.00 54.15 H new ATOM 0 HZ1 LYS A 14 -10.593 -5.406 -6.237 1.00 42.22 H new ATOM 0 HZ2 LYS A 14 -10.291 -4.415 -4.891 1.00 42.22 H new ATOM 0 HZ3 LYS A 14 -9.055 -5.396 -5.517 1.00 42.22 H new ATOM 232 N GLU A 15 -12.000 -3.650 0.042 1.00 21.44 N ATOM 233 CA GLU A 15 -13.310 -3.007 -0.156 1.00 43.33 C ATOM 234 C GLU A 15 -13.396 -1.672 0.612 1.00 74.13 C ATOM 235 O GLU A 15 -14.037 -0.734 0.144 1.00 14.42 O ATOM 236 CB GLU A 15 -14.454 -3.953 0.301 1.00 10.45 C ATOM 237 CG GLU A 15 -14.365 -4.367 1.784 1.00 50.22 C ATOM 238 CD GLU A 15 -15.571 -5.166 2.287 1.00 55.52 C ATOM 239 OE1 GLU A 15 -15.563 -6.408 2.182 1.00 32.23 O ATOM 240 OE2 GLU A 15 -16.523 -4.548 2.813 1.00 52.24 O ATOM 0 H GLU A 15 -12.061 -4.581 0.455 1.00 21.44 H new ATOM 0 HA GLU A 15 -13.422 -2.800 -1.220 1.00 43.33 H new ATOM 0 HB2 GLU A 15 -15.411 -3.461 0.128 1.00 10.45 H new ATOM 0 HB3 GLU A 15 -14.440 -4.850 -0.318 1.00 10.45 H new ATOM 0 HG2 GLU A 15 -13.463 -4.962 1.930 1.00 50.22 H new ATOM 0 HG3 GLU A 15 -14.258 -3.470 2.394 1.00 50.22 H new ATOM 247 N GLU A 16 -12.720 -1.616 1.788 1.00 1.23 N ATOM 248 CA GLU A 16 -12.693 -0.431 2.655 1.00 2.24 C ATOM 249 C GLU A 16 -12.062 0.761 1.922 1.00 14.42 C ATOM 250 O GLU A 16 -12.744 1.749 1.645 1.00 23.41 O ATOM 251 CB GLU A 16 -11.894 -0.744 3.953 1.00 41.23 C ATOM 252 CG GLU A 16 -11.815 0.411 4.984 1.00 45.23 C ATOM 253 CD GLU A 16 -13.174 0.739 5.625 1.00 72.22 C ATOM 254 OE1 GLU A 16 -13.531 0.109 6.649 1.00 24.40 O ATOM 255 OE2 GLU A 16 -13.897 1.610 5.099 1.00 50.03 O ATOM 0 H GLU A 16 -12.179 -2.399 2.154 1.00 1.23 H new ATOM 0 HA GLU A 16 -13.718 -0.169 2.919 1.00 2.24 H new ATOM 0 HB2 GLU A 16 -12.346 -1.609 4.437 1.00 41.23 H new ATOM 0 HB3 GLU A 16 -10.879 -1.029 3.674 1.00 41.23 H new ATOM 0 HG2 GLU A 16 -11.105 0.144 5.767 1.00 45.23 H new ATOM 0 HG3 GLU A 16 -11.427 1.303 4.493 1.00 45.23 H new ATOM 262 N VAL A 17 -10.768 0.618 1.580 1.00 45.43 N ATOM 263 CA VAL A 17 -9.966 1.705 0.993 1.00 42.10 C ATOM 264 C VAL A 17 -10.535 2.166 -0.369 1.00 33.04 C ATOM 265 O VAL A 17 -10.502 3.358 -0.665 1.00 11.12 O ATOM 266 CB VAL A 17 -8.450 1.308 0.853 1.00 21.15 C ATOM 267 CG1 VAL A 17 -7.615 2.471 0.256 1.00 33.41 C ATOM 268 CG2 VAL A 17 -7.863 0.858 2.218 1.00 62.44 C ATOM 0 H VAL A 17 -10.251 -0.253 1.703 1.00 45.43 H new ATOM 0 HA VAL A 17 -10.028 2.544 1.686 1.00 42.10 H new ATOM 0 HB VAL A 17 -8.394 0.466 0.163 1.00 21.15 H new ATOM 0 HG11 VAL A 17 -6.572 2.165 0.172 1.00 33.41 H new ATOM 0 HG12 VAL A 17 -7.999 2.725 -0.732 1.00 33.41 H new ATOM 0 HG13 VAL A 17 -7.686 3.342 0.908 1.00 33.41 H new ATOM 0 HG21 VAL A 17 -6.814 0.589 2.092 1.00 62.44 H new ATOM 0 HG22 VAL A 17 -7.945 1.674 2.936 1.00 62.44 H new ATOM 0 HG23 VAL A 17 -8.417 -0.006 2.585 1.00 62.44 H new ATOM 278 N ARG A 18 -11.069 1.222 -1.182 1.00 5.40 N ATOM 279 CA ARG A 18 -11.693 1.570 -2.479 1.00 3.32 C ATOM 280 C ARG A 18 -13.022 2.325 -2.287 1.00 24.34 C ATOM 281 O ARG A 18 -13.374 3.167 -3.114 1.00 43.50 O ATOM 282 CB ARG A 18 -11.925 0.325 -3.372 1.00 5.24 C ATOM 283 CG ARG A 18 -10.652 -0.485 -3.675 1.00 15.53 C ATOM 284 CD ARG A 18 -10.792 -1.429 -4.870 1.00 23.20 C ATOM 285 NE ARG A 18 -10.939 -0.682 -6.133 1.00 21.23 N ATOM 286 CZ ARG A 18 -9.927 -0.300 -6.934 1.00 1.12 C ATOM 287 NH1 ARG A 18 -8.659 -0.577 -6.633 1.00 61.42 N ATOM 288 NH2 ARG A 18 -10.187 0.392 -8.034 1.00 73.20 N ATOM 0 H ARG A 18 -11.080 0.225 -0.965 1.00 5.40 H new ATOM 0 HA ARG A 18 -10.986 2.226 -2.987 1.00 3.32 H new ATOM 0 HB2 ARG A 18 -12.649 -0.328 -2.884 1.00 5.24 H new ATOM 0 HB3 ARG A 18 -12.370 0.646 -4.314 1.00 5.24 H new ATOM 0 HG2 ARG A 18 -9.830 0.205 -3.863 1.00 15.53 H new ATOM 0 HG3 ARG A 18 -10.384 -1.067 -2.793 1.00 15.53 H new ATOM 0 HD2 ARG A 18 -9.917 -2.076 -4.928 1.00 23.20 H new ATOM 0 HD3 ARG A 18 -11.658 -2.075 -4.725 1.00 23.20 H new ATOM 0 HE ARG A 18 -11.885 -0.435 -6.423 1.00 21.23 H new ATOM 0 HH11 ARG A 18 -8.438 -1.089 -5.779 1.00 61.42 H new ATOM 0 HH12 ARG A 18 -7.910 -0.277 -7.256 1.00 61.42 H new ATOM 0 HH21 ARG A 18 -11.150 0.632 -8.270 1.00 73.20 H new ATOM 0 HH22 ARG A 18 -9.424 0.684 -8.645 1.00 73.20 H new ATOM 302 N LYS A 19 -13.757 2.012 -1.202 1.00 71.31 N ATOM 303 CA LYS A 19 -15.049 2.665 -0.892 1.00 2.44 C ATOM 304 C LYS A 19 -14.807 4.126 -0.481 1.00 53.32 C ATOM 305 O LYS A 19 -15.565 5.026 -0.854 1.00 61.51 O ATOM 306 CB LYS A 19 -15.792 1.891 0.236 1.00 33.50 C ATOM 307 CG LYS A 19 -17.188 2.443 0.630 1.00 62.12 C ATOM 308 CD LYS A 19 -18.222 2.393 -0.519 1.00 62.41 C ATOM 309 CE LYS A 19 -18.542 0.966 -0.991 1.00 43.35 C ATOM 310 NZ LYS A 19 -19.524 0.966 -2.100 1.00 73.44 N ATOM 0 H LYS A 19 -13.478 1.307 -0.520 1.00 71.31 H new ATOM 0 HA LYS A 19 -15.678 2.651 -1.782 1.00 2.44 H new ATOM 0 HB2 LYS A 19 -15.908 0.854 -0.077 1.00 33.50 H new ATOM 0 HB3 LYS A 19 -15.160 1.887 1.124 1.00 33.50 H new ATOM 0 HG2 LYS A 19 -17.570 1.871 1.476 1.00 62.12 H new ATOM 0 HG3 LYS A 19 -17.080 3.474 0.965 1.00 62.12 H new ATOM 0 HD2 LYS A 19 -19.143 2.874 -0.190 1.00 62.41 H new ATOM 0 HD3 LYS A 19 -17.845 2.971 -1.363 1.00 62.41 H new ATOM 0 HE2 LYS A 19 -17.625 0.476 -1.317 1.00 43.35 H new ATOM 0 HE3 LYS A 19 -18.935 0.386 -0.156 1.00 43.35 H new ATOM 0 HZ1 LYS A 19 -19.716 -0.013 -2.393 1.00 73.44 H new ATOM 0 HZ2 LYS A 19 -20.408 1.412 -1.781 1.00 73.44 H new ATOM 0 HZ3 LYS A 19 -19.138 1.499 -2.905 1.00 73.44 H new ATOM 324 N LYS A 20 -13.716 4.337 0.273 1.00 73.11 N ATOM 325 CA LYS A 20 -13.325 5.655 0.782 1.00 44.03 C ATOM 326 C LYS A 20 -12.713 6.508 -0.343 1.00 54.25 C ATOM 327 O LYS A 20 -13.097 7.667 -0.542 1.00 65.41 O ATOM 328 CB LYS A 20 -12.302 5.478 1.931 1.00 64.44 C ATOM 329 CG LYS A 20 -12.780 4.566 3.083 1.00 20.03 C ATOM 330 CD LYS A 20 -11.706 4.380 4.174 1.00 52.21 C ATOM 331 CE LYS A 20 -11.430 5.674 4.949 1.00 60.03 C ATOM 332 NZ LYS A 20 -12.621 6.150 5.710 1.00 54.25 N ATOM 0 H LYS A 20 -13.078 3.590 0.547 1.00 73.11 H new ATOM 0 HA LYS A 20 -14.210 6.168 1.158 1.00 44.03 H new ATOM 0 HB2 LYS A 20 -11.380 5.068 1.519 1.00 64.44 H new ATOM 0 HB3 LYS A 20 -12.060 6.459 2.339 1.00 64.44 H new ATOM 0 HG2 LYS A 20 -13.678 4.992 3.531 1.00 20.03 H new ATOM 0 HG3 LYS A 20 -13.056 3.592 2.680 1.00 20.03 H new ATOM 0 HD2 LYS A 20 -12.029 3.605 4.869 1.00 52.21 H new ATOM 0 HD3 LYS A 20 -10.781 4.031 3.714 1.00 52.21 H new ATOM 0 HE2 LYS A 20 -10.603 5.510 5.640 1.00 60.03 H new ATOM 0 HE3 LYS A 20 -11.114 6.450 4.252 1.00 60.03 H new ATOM 0 HZ1 LYS A 20 -12.603 7.188 5.769 1.00 54.25 H new ATOM 0 HZ2 LYS A 20 -13.488 5.846 5.223 1.00 54.25 H new ATOM 0 HZ3 LYS A 20 -12.603 5.748 6.669 1.00 54.25 H new ATOM 346 N PHE A 21 -11.755 5.898 -1.080 1.00 12.02 N ATOM 347 CA PHE A 21 -10.970 6.559 -2.145 1.00 44.22 C ATOM 348 C PHE A 21 -10.761 5.561 -3.311 1.00 22.22 C ATOM 349 O PHE A 21 -9.824 4.745 -3.266 1.00 12.53 O ATOM 350 CB PHE A 21 -9.570 7.044 -1.634 1.00 41.21 C ATOM 351 CG PHE A 21 -9.565 7.704 -0.260 1.00 65.05 C ATOM 352 CD1 PHE A 21 -9.943 9.037 -0.087 1.00 34.24 C ATOM 353 CD2 PHE A 21 -9.198 6.976 0.871 1.00 13.43 C ATOM 354 CE1 PHE A 21 -9.928 9.614 1.171 1.00 63.21 C ATOM 355 CE2 PHE A 21 -9.194 7.559 2.118 1.00 40.43 C ATOM 356 CZ PHE A 21 -9.557 8.865 2.272 1.00 65.41 C ATOM 0 H PHE A 21 -11.503 4.918 -0.948 1.00 12.02 H new ATOM 0 HA PHE A 21 -11.528 7.436 -2.474 1.00 44.22 H new ATOM 0 HB2 PHE A 21 -8.895 6.188 -1.609 1.00 41.21 H new ATOM 0 HB3 PHE A 21 -9.163 7.750 -2.358 1.00 41.21 H new ATOM 0 HD1 PHE A 21 -10.249 9.622 -0.941 1.00 34.24 H new ATOM 0 HD2 PHE A 21 -8.913 5.940 0.767 1.00 13.43 H new ATOM 0 HE1 PHE A 21 -10.206 10.650 1.293 1.00 63.21 H new ATOM 0 HE2 PHE A 21 -8.901 6.978 2.980 1.00 40.43 H new ATOM 0 HZ PHE A 21 -9.555 9.314 3.254 1.00 65.41 H new ATOM 366 N PRO A 22 -11.650 5.568 -4.351 1.00 12.14 N ATOM 367 CA PRO A 22 -11.426 4.777 -5.599 1.00 70.31 C ATOM 368 C PRO A 22 -10.183 5.242 -6.399 1.00 51.14 C ATOM 369 O PRO A 22 -9.693 4.516 -7.276 1.00 30.40 O ATOM 370 CB PRO A 22 -12.732 5.009 -6.415 1.00 25.43 C ATOM 371 CG PRO A 22 -13.743 5.494 -5.410 1.00 41.21 C ATOM 372 CD PRO A 22 -12.957 6.279 -4.381 1.00 32.53 C ATOM 0 HA PRO A 22 -11.226 3.728 -5.379 1.00 70.31 H new ATOM 0 HB2 PRO A 22 -12.578 5.744 -7.205 1.00 25.43 H new ATOM 0 HB3 PRO A 22 -13.065 4.089 -6.896 1.00 25.43 H new ATOM 0 HG2 PRO A 22 -14.498 6.119 -5.886 1.00 41.21 H new ATOM 0 HG3 PRO A 22 -14.267 4.658 -4.947 1.00 41.21 H new ATOM 0 HD2 PRO A 22 -12.843 7.324 -4.670 1.00 32.53 H new ATOM 0 HD3 PRO A 22 -13.445 6.270 -3.406 1.00 32.53 H new ATOM 380 N GLN A 23 -9.672 6.444 -6.057 1.00 31.00 N ATOM 381 CA GLN A 23 -8.616 7.132 -6.819 1.00 24.33 C ATOM 382 C GLN A 23 -7.221 6.509 -6.595 1.00 44.40 C ATOM 383 O GLN A 23 -6.390 6.526 -7.504 1.00 34.24 O ATOM 384 CB GLN A 23 -8.574 8.633 -6.430 1.00 52.05 C ATOM 385 CG GLN A 23 -8.280 8.913 -4.936 1.00 14.44 C ATOM 386 CD GLN A 23 -8.079 10.392 -4.635 1.00 41.51 C ATOM 387 OE1 GLN A 23 -6.962 10.909 -4.677 1.00 20.43 O ATOM 388 NE2 GLN A 23 -9.158 11.095 -4.358 1.00 72.22 N ATOM 0 H GLN A 23 -9.985 6.965 -5.238 1.00 31.00 H new ATOM 0 HA GLN A 23 -8.863 7.020 -7.875 1.00 24.33 H new ATOM 0 HB2 GLN A 23 -7.813 9.128 -7.034 1.00 52.05 H new ATOM 0 HB3 GLN A 23 -9.531 9.087 -6.688 1.00 52.05 H new ATOM 0 HG2 GLN A 23 -9.105 8.534 -4.332 1.00 14.44 H new ATOM 0 HG3 GLN A 23 -7.387 8.363 -4.638 1.00 14.44 H new ATOM 0 HE21 GLN A 23 -10.070 10.640 -4.330 1.00 72.22 H new ATOM 0 HE22 GLN A 23 -9.081 12.095 -4.171 1.00 72.22 H new ATOM 397 N VAL A 24 -6.982 5.958 -5.387 1.00 0.04 N ATOM 398 CA VAL A 24 -5.654 5.434 -4.988 1.00 33.32 C ATOM 399 C VAL A 24 -5.498 3.964 -5.423 1.00 64.43 C ATOM 400 O VAL A 24 -6.495 3.242 -5.541 1.00 51.31 O ATOM 401 CB VAL A 24 -5.409 5.584 -3.432 1.00 52.31 C ATOM 402 CG1 VAL A 24 -5.349 7.077 -3.014 1.00 63.43 C ATOM 403 CG2 VAL A 24 -6.479 4.821 -2.607 1.00 21.21 C ATOM 0 H VAL A 24 -7.696 5.863 -4.664 1.00 0.04 H new ATOM 0 HA VAL A 24 -4.898 6.031 -5.498 1.00 33.32 H new ATOM 0 HB VAL A 24 -4.441 5.133 -3.213 1.00 52.31 H new ATOM 0 HG11 VAL A 24 -5.180 7.147 -1.940 1.00 63.43 H new ATOM 0 HG12 VAL A 24 -4.534 7.570 -3.543 1.00 63.43 H new ATOM 0 HG13 VAL A 24 -6.291 7.563 -3.265 1.00 63.43 H new ATOM 0 HG21 VAL A 24 -6.277 4.948 -1.543 1.00 21.21 H new ATOM 0 HG22 VAL A 24 -7.468 5.217 -2.838 1.00 21.21 H new ATOM 0 HG23 VAL A 24 -6.445 3.761 -2.859 1.00 21.21 H new ATOM 413 N GLU A 25 -4.238 3.543 -5.672 1.00 35.53 N ATOM 414 CA GLU A 25 -3.917 2.174 -6.118 1.00 12.00 C ATOM 415 C GLU A 25 -4.075 1.189 -4.945 1.00 63.51 C ATOM 416 O GLU A 25 -3.174 1.060 -4.117 1.00 64.11 O ATOM 417 CB GLU A 25 -2.455 2.116 -6.658 1.00 1.21 C ATOM 418 CG GLU A 25 -2.153 3.020 -7.868 1.00 31.14 C ATOM 419 CD GLU A 25 -2.774 2.502 -9.171 1.00 35.13 C ATOM 420 OE1 GLU A 25 -2.111 1.713 -9.869 1.00 43.33 O ATOM 421 OE2 GLU A 25 -3.916 2.884 -9.509 1.00 11.53 O ATOM 0 H GLU A 25 -3.419 4.143 -5.569 1.00 35.53 H new ATOM 0 HA GLU A 25 -4.604 1.894 -6.917 1.00 12.00 H new ATOM 0 HB2 GLU A 25 -1.777 2.386 -5.848 1.00 1.21 H new ATOM 0 HB3 GLU A 25 -2.229 1.086 -6.932 1.00 1.21 H new ATOM 0 HG2 GLU A 25 -2.527 4.024 -7.667 1.00 31.14 H new ATOM 0 HG3 GLU A 25 -1.073 3.102 -7.993 1.00 31.14 H new ATOM 428 N VAL A 26 -5.216 0.484 -4.889 1.00 5.04 N ATOM 429 CA VAL A 26 -5.489 -0.499 -3.823 1.00 35.52 C ATOM 430 C VAL A 26 -5.072 -1.880 -4.328 1.00 13.03 C ATOM 431 O VAL A 26 -5.659 -2.395 -5.279 1.00 44.53 O ATOM 432 CB VAL A 26 -6.996 -0.493 -3.375 1.00 72.10 C ATOM 433 CG1 VAL A 26 -7.202 -1.374 -2.113 1.00 53.05 C ATOM 434 CG2 VAL A 26 -7.468 0.965 -3.133 1.00 71.52 C ATOM 0 H VAL A 26 -5.968 0.576 -5.571 1.00 5.04 H new ATOM 0 HA VAL A 26 -4.912 -0.230 -2.938 1.00 35.52 H new ATOM 0 HB VAL A 26 -7.604 -0.922 -4.172 1.00 72.10 H new ATOM 0 HG11 VAL A 26 -8.252 -1.354 -1.823 1.00 53.05 H new ATOM 0 HG12 VAL A 26 -6.906 -2.400 -2.333 1.00 53.05 H new ATOM 0 HG13 VAL A 26 -6.592 -0.988 -1.296 1.00 53.05 H new ATOM 0 HG21 VAL A 26 -8.513 0.962 -2.823 1.00 71.52 H new ATOM 0 HG22 VAL A 26 -6.859 1.420 -2.352 1.00 71.52 H new ATOM 0 HG23 VAL A 26 -7.364 1.539 -4.054 1.00 71.52 H new ATOM 444 N ARG A 27 -4.010 -2.441 -3.736 1.00 11.42 N ATOM 445 CA ARG A 27 -3.367 -3.665 -4.237 1.00 73.13 C ATOM 446 C ARG A 27 -3.458 -4.778 -3.191 1.00 22.44 C ATOM 447 O ARG A 27 -2.779 -4.721 -2.164 1.00 12.24 O ATOM 448 CB ARG A 27 -1.894 -3.354 -4.614 1.00 50.01 C ATOM 449 CG ARG A 27 -1.731 -2.271 -5.716 1.00 64.03 C ATOM 450 CD ARG A 27 -2.496 -2.630 -7.005 1.00 42.23 C ATOM 451 NE ARG A 27 -2.253 -1.681 -8.105 1.00 4.32 N ATOM 452 CZ ARG A 27 -1.642 -1.990 -9.270 1.00 54.32 C ATOM 453 NH1 ARG A 27 -1.192 -3.218 -9.495 1.00 5.33 N ATOM 454 NH2 ARG A 27 -1.518 -1.074 -10.203 1.00 44.43 N ATOM 0 H ARG A 27 -3.572 -2.061 -2.897 1.00 11.42 H new ATOM 0 HA ARG A 27 -3.884 -4.014 -5.131 1.00 73.13 H new ATOM 0 HB2 ARG A 27 -1.363 -3.028 -3.719 1.00 50.01 H new ATOM 0 HB3 ARG A 27 -1.416 -4.274 -4.951 1.00 50.01 H new ATOM 0 HG2 ARG A 27 -2.090 -1.314 -5.338 1.00 64.03 H new ATOM 0 HG3 ARG A 27 -0.673 -2.146 -5.947 1.00 64.03 H new ATOM 0 HD2 ARG A 27 -2.206 -3.631 -7.326 1.00 42.23 H new ATOM 0 HD3 ARG A 27 -3.564 -2.661 -6.790 1.00 42.23 H new ATOM 0 HE ARG A 27 -2.569 -0.720 -7.978 1.00 4.32 H new ATOM 0 HH11 ARG A 27 -1.306 -3.941 -8.785 1.00 5.33 H new ATOM 0 HH12 ARG A 27 -0.733 -3.439 -10.378 1.00 5.33 H new ATOM 0 HH21 ARG A 27 -1.882 -0.134 -10.047 1.00 44.43 H new ATOM 0 HH22 ARG A 27 -1.058 -1.302 -11.084 1.00 44.43 H new ATOM 468 N LEU A 28 -4.308 -5.783 -3.463 1.00 60.12 N ATOM 469 CA LEU A 28 -4.553 -6.904 -2.547 1.00 54.44 C ATOM 470 C LEU A 28 -3.467 -7.975 -2.725 1.00 35.43 C ATOM 471 O LEU A 28 -3.325 -8.535 -3.807 1.00 45.51 O ATOM 472 CB LEU A 28 -5.950 -7.532 -2.789 1.00 23.15 C ATOM 473 CG LEU A 28 -6.303 -8.762 -1.875 1.00 4.41 C ATOM 474 CD1 LEU A 28 -6.375 -8.354 -0.392 1.00 51.31 C ATOM 475 CD2 LEU A 28 -7.596 -9.452 -2.331 1.00 25.03 C ATOM 0 H LEU A 28 -4.845 -5.838 -4.328 1.00 60.12 H new ATOM 0 HA LEU A 28 -4.522 -6.518 -1.528 1.00 54.44 H new ATOM 0 HB2 LEU A 28 -6.707 -6.762 -2.641 1.00 23.15 H new ATOM 0 HB3 LEU A 28 -6.014 -7.845 -3.831 1.00 23.15 H new ATOM 0 HG LEU A 28 -5.496 -9.487 -1.978 1.00 4.41 H new ATOM 0 HD11 LEU A 28 -6.621 -9.226 0.214 1.00 51.31 H new ATOM 0 HD12 LEU A 28 -5.411 -7.954 -0.078 1.00 51.31 H new ATOM 0 HD13 LEU A 28 -7.144 -7.593 -0.261 1.00 51.31 H new ATOM 0 HD21 LEU A 28 -7.808 -10.297 -1.676 1.00 25.03 H new ATOM 0 HD22 LEU A 28 -8.422 -8.742 -2.287 1.00 25.03 H new ATOM 0 HD23 LEU A 28 -7.477 -9.807 -3.355 1.00 25.03 H new ATOM 487 N VAL A 29 -2.731 -8.242 -1.645 1.00 14.25 N ATOM 488 CA VAL A 29 -1.688 -9.266 -1.585 1.00 51.20 C ATOM 489 C VAL A 29 -2.314 -10.598 -1.165 1.00 22.53 C ATOM 490 O VAL A 29 -2.868 -10.718 -0.064 1.00 12.44 O ATOM 491 CB VAL A 29 -0.560 -8.834 -0.578 1.00 61.13 C ATOM 492 CG1 VAL A 29 0.468 -9.967 -0.304 1.00 44.52 C ATOM 493 CG2 VAL A 29 0.142 -7.574 -1.110 1.00 72.11 C ATOM 0 H VAL A 29 -2.847 -7.739 -0.765 1.00 14.25 H new ATOM 0 HA VAL A 29 -1.233 -9.383 -2.568 1.00 51.20 H new ATOM 0 HB VAL A 29 -1.034 -8.616 0.379 1.00 61.13 H new ATOM 0 HG11 VAL A 29 1.223 -9.612 0.398 1.00 44.52 H new ATOM 0 HG12 VAL A 29 -0.046 -10.829 0.121 1.00 44.52 H new ATOM 0 HG13 VAL A 29 0.949 -10.256 -1.239 1.00 44.52 H new ATOM 0 HG21 VAL A 29 0.925 -7.272 -0.414 1.00 72.11 H new ATOM 0 HG22 VAL A 29 0.584 -7.787 -2.083 1.00 72.11 H new ATOM 0 HG23 VAL A 29 -0.585 -6.768 -1.211 1.00 72.11 H new ATOM 503 N THR A 30 -2.258 -11.576 -2.075 1.00 2.53 N ATOM 504 CA THR A 30 -2.751 -12.944 -1.839 1.00 11.23 C ATOM 505 C THR A 30 -1.569 -13.940 -1.749 1.00 22.25 C ATOM 506 O THR A 30 -1.649 -14.960 -1.057 1.00 21.25 O ATOM 507 CB THR A 30 -3.759 -13.350 -2.967 1.00 13.03 C ATOM 508 OG1 THR A 30 -3.189 -13.090 -4.259 1.00 31.04 O ATOM 509 CG2 THR A 30 -5.095 -12.589 -2.841 1.00 61.55 C ATOM 0 H THR A 30 -1.866 -11.442 -3.007 1.00 2.53 H new ATOM 0 HA THR A 30 -3.278 -12.974 -0.885 1.00 11.23 H new ATOM 0 HB THR A 30 -3.958 -14.416 -2.855 1.00 13.03 H new ATOM 0 HG1 THR A 30 -3.827 -13.349 -4.956 1.00 31.04 H new ATOM 0 HG21 THR A 30 -5.767 -12.899 -3.641 1.00 61.55 H new ATOM 0 HG22 THR A 30 -5.552 -12.813 -1.877 1.00 61.55 H new ATOM 0 HG23 THR A 30 -4.912 -11.517 -2.915 1.00 61.55 H new ATOM 517 N THR A 31 -0.475 -13.642 -2.477 1.00 1.51 N ATOM 518 CA THR A 31 0.822 -14.344 -2.342 1.00 22.54 C ATOM 519 C THR A 31 1.932 -13.309 -2.066 1.00 54.10 C ATOM 520 O THR A 31 1.727 -12.109 -2.286 1.00 13.03 O ATOM 521 CB THR A 31 1.173 -15.186 -3.629 1.00 73.13 C ATOM 522 OG1 THR A 31 1.312 -14.335 -4.774 1.00 14.02 O ATOM 523 CG2 THR A 31 0.109 -16.267 -3.929 1.00 22.13 C ATOM 0 H THR A 31 -0.464 -12.903 -3.180 1.00 1.51 H new ATOM 0 HA THR A 31 0.746 -15.043 -1.509 1.00 22.54 H new ATOM 0 HB THR A 31 2.120 -15.685 -3.423 1.00 73.13 H new ATOM 0 HG1 THR A 31 1.531 -14.878 -5.560 1.00 14.02 H new ATOM 0 HG21 THR A 31 0.395 -16.820 -4.824 1.00 22.13 H new ATOM 0 HG22 THR A 31 0.039 -16.953 -3.085 1.00 22.13 H new ATOM 0 HG23 THR A 31 -0.858 -15.791 -4.090 1.00 22.13 H new ATOM 531 N GLU A 32 3.100 -13.769 -1.580 1.00 64.20 N ATOM 532 CA GLU A 32 4.264 -12.894 -1.343 1.00 30.42 C ATOM 533 C GLU A 32 4.791 -12.345 -2.686 1.00 33.11 C ATOM 534 O GLU A 32 5.173 -11.175 -2.774 1.00 12.23 O ATOM 535 CB GLU A 32 5.386 -13.657 -0.592 1.00 62.33 C ATOM 536 CG GLU A 32 6.632 -12.802 -0.278 1.00 40.34 C ATOM 537 CD GLU A 32 7.698 -13.564 0.519 1.00 62.31 C ATOM 538 OE1 GLU A 32 7.470 -13.822 1.717 1.00 34.21 O ATOM 539 OE2 GLU A 32 8.759 -13.909 -0.049 1.00 31.12 O ATOM 0 H GLU A 32 3.263 -14.747 -1.343 1.00 64.20 H new ATOM 0 HA GLU A 32 3.948 -12.059 -0.718 1.00 30.42 H new ATOM 0 HB2 GLU A 32 4.982 -14.047 0.342 1.00 62.33 H new ATOM 0 HB3 GLU A 32 5.690 -14.515 -1.191 1.00 62.33 H new ATOM 0 HG2 GLU A 32 7.068 -12.449 -1.212 1.00 40.34 H new ATOM 0 HG3 GLU A 32 6.328 -11.920 0.285 1.00 40.34 H new ATOM 546 N GLU A 33 4.781 -13.211 -3.731 1.00 53.40 N ATOM 547 CA GLU A 33 5.177 -12.837 -5.106 1.00 1.03 C ATOM 548 C GLU A 33 4.234 -11.772 -5.696 1.00 41.32 C ATOM 549 O GLU A 33 4.665 -10.937 -6.494 1.00 21.40 O ATOM 550 CB GLU A 33 5.226 -14.084 -6.021 1.00 42.22 C ATOM 551 CG GLU A 33 6.357 -15.075 -5.682 1.00 54.21 C ATOM 552 CD GLU A 33 6.402 -16.245 -6.674 1.00 43.15 C ATOM 553 OE1 GLU A 33 6.706 -16.005 -7.863 1.00 63.51 O ATOM 554 OE2 GLU A 33 6.128 -17.401 -6.280 1.00 20.41 O ATOM 0 H GLU A 33 4.498 -14.187 -3.640 1.00 53.40 H new ATOM 0 HA GLU A 33 6.176 -12.405 -5.053 1.00 1.03 H new ATOM 0 HB2 GLU A 33 4.271 -14.605 -5.957 1.00 42.22 H new ATOM 0 HB3 GLU A 33 5.342 -13.758 -7.054 1.00 42.22 H new ATOM 0 HG2 GLU A 33 7.314 -14.553 -5.692 1.00 54.21 H new ATOM 0 HG3 GLU A 33 6.214 -15.459 -4.672 1.00 54.21 H new ATOM 561 N ASP A 34 2.963 -11.804 -5.263 1.00 62.53 N ATOM 562 CA ASP A 34 1.932 -10.827 -5.658 1.00 74.53 C ATOM 563 C ASP A 34 2.325 -9.427 -5.143 1.00 22.41 C ATOM 564 O ASP A 34 2.249 -8.445 -5.884 1.00 41.23 O ATOM 565 CB ASP A 34 0.559 -11.275 -5.077 1.00 44.33 C ATOM 566 CG ASP A 34 -0.673 -10.586 -5.673 1.00 32.04 C ATOM 567 OD1 ASP A 34 -0.621 -10.128 -6.831 1.00 14.11 O ATOM 568 OD2 ASP A 34 -1.722 -10.562 -4.996 1.00 34.04 O ATOM 0 H ASP A 34 2.617 -12.517 -4.621 1.00 62.53 H new ATOM 0 HA ASP A 34 1.852 -10.779 -6.744 1.00 74.53 H new ATOM 0 HB2 ASP A 34 0.457 -12.350 -5.223 1.00 44.33 H new ATOM 0 HB3 ASP A 34 0.566 -11.099 -4.001 1.00 44.33 H new ATOM 573 N ALA A 35 2.797 -9.383 -3.875 1.00 50.05 N ATOM 574 CA ALA A 35 3.336 -8.159 -3.241 1.00 34.03 C ATOM 575 C ALA A 35 4.590 -7.658 -3.977 1.00 63.20 C ATOM 576 O ALA A 35 4.789 -6.454 -4.125 1.00 2.43 O ATOM 577 CB ALA A 35 3.674 -8.425 -1.765 1.00 23.24 C ATOM 0 H ALA A 35 2.814 -10.198 -3.262 1.00 50.05 H new ATOM 0 HA ALA A 35 2.568 -7.388 -3.302 1.00 34.03 H new ATOM 0 HB1 ALA A 35 4.069 -7.515 -1.313 1.00 23.24 H new ATOM 0 HB2 ALA A 35 2.772 -8.732 -1.235 1.00 23.24 H new ATOM 0 HB3 ALA A 35 4.420 -9.217 -1.700 1.00 23.24 H new ATOM 583 N LYS A 36 5.425 -8.611 -4.423 1.00 32.32 N ATOM 584 CA LYS A 36 6.679 -8.330 -5.151 1.00 3.21 C ATOM 585 C LYS A 36 6.408 -7.776 -6.570 1.00 52.42 C ATOM 586 O LYS A 36 7.258 -7.082 -7.138 1.00 44.42 O ATOM 587 CB LYS A 36 7.538 -9.619 -5.192 1.00 74.14 C ATOM 588 CG LYS A 36 8.009 -10.107 -3.795 1.00 64.11 C ATOM 589 CD LYS A 36 8.521 -11.574 -3.796 1.00 13.21 C ATOM 590 CE LYS A 36 9.644 -11.830 -4.812 1.00 22.42 C ATOM 591 NZ LYS A 36 10.076 -13.250 -4.836 1.00 62.02 N ATOM 0 H LYS A 36 5.250 -9.607 -4.289 1.00 32.32 H new ATOM 0 HA LYS A 36 7.230 -7.552 -4.623 1.00 3.21 H new ATOM 0 HB2 LYS A 36 6.962 -10.413 -5.668 1.00 74.14 H new ATOM 0 HB3 LYS A 36 8.413 -9.441 -5.818 1.00 74.14 H new ATOM 0 HG2 LYS A 36 8.804 -9.452 -3.438 1.00 64.11 H new ATOM 0 HG3 LYS A 36 7.183 -10.018 -3.089 1.00 64.11 H new ATOM 0 HD2 LYS A 36 8.880 -11.826 -2.798 1.00 13.21 H new ATOM 0 HD3 LYS A 36 7.687 -12.241 -4.012 1.00 13.21 H new ATOM 0 HE2 LYS A 36 9.303 -11.540 -5.806 1.00 22.42 H new ATOM 0 HE3 LYS A 36 10.499 -11.198 -4.571 1.00 22.42 H new ATOM 0 HZ1 LYS A 36 10.880 -13.357 -5.487 1.00 62.02 H new ATOM 0 HZ2 LYS A 36 10.363 -13.542 -3.880 1.00 62.02 H new ATOM 0 HZ3 LYS A 36 9.288 -13.847 -5.158 1.00 62.02 H new ATOM 605 N GLN A 37 5.226 -8.110 -7.145 1.00 31.52 N ATOM 606 CA GLN A 37 4.759 -7.519 -8.423 1.00 24.42 C ATOM 607 C GLN A 37 4.288 -6.080 -8.187 1.00 53.25 C ATOM 608 O GLN A 37 4.534 -5.198 -9.017 1.00 24.14 O ATOM 609 CB GLN A 37 3.611 -8.336 -9.062 1.00 72.55 C ATOM 610 CG GLN A 37 3.970 -9.784 -9.433 1.00 24.24 C ATOM 611 CD GLN A 37 2.822 -10.532 -10.106 1.00 75.44 C ATOM 612 OE1 GLN A 37 1.650 -10.253 -9.849 1.00 72.51 O ATOM 613 NE2 GLN A 37 3.138 -11.494 -10.962 1.00 22.22 N ATOM 0 H GLN A 37 4.578 -8.787 -6.742 1.00 31.52 H new ATOM 0 HA GLN A 37 5.602 -7.533 -9.114 1.00 24.42 H new ATOM 0 HB2 GLN A 37 2.769 -8.353 -8.370 1.00 72.55 H new ATOM 0 HB3 GLN A 37 3.275 -7.820 -9.961 1.00 72.55 H new ATOM 0 HG2 GLN A 37 4.833 -9.779 -10.099 1.00 24.24 H new ATOM 0 HG3 GLN A 37 4.267 -10.321 -8.532 1.00 24.24 H new ATOM 0 HE21 GLN A 37 4.117 -11.703 -11.155 1.00 22.22 H new ATOM 0 HE22 GLN A 37 2.402 -12.025 -11.427 1.00 22.22 H new ATOM 622 N VAL A 38 3.592 -5.869 -7.042 1.00 44.11 N ATOM 623 CA VAL A 38 3.158 -4.532 -6.592 1.00 1.33 C ATOM 624 C VAL A 38 4.376 -3.597 -6.445 1.00 63.20 C ATOM 625 O VAL A 38 4.303 -2.437 -6.814 1.00 12.52 O ATOM 626 CB VAL A 38 2.353 -4.597 -5.230 1.00 12.33 C ATOM 627 CG1 VAL A 38 1.947 -3.185 -4.737 1.00 63.12 C ATOM 628 CG2 VAL A 38 1.109 -5.508 -5.362 1.00 1.45 C ATOM 0 H VAL A 38 3.319 -6.621 -6.410 1.00 44.11 H new ATOM 0 HA VAL A 38 2.486 -4.134 -7.352 1.00 1.33 H new ATOM 0 HB VAL A 38 3.017 -5.030 -4.482 1.00 12.33 H new ATOM 0 HG11 VAL A 38 1.397 -3.271 -3.800 1.00 63.12 H new ATOM 0 HG12 VAL A 38 2.842 -2.584 -4.578 1.00 63.12 H new ATOM 0 HG13 VAL A 38 1.316 -2.706 -5.486 1.00 63.12 H new ATOM 0 HG21 VAL A 38 0.575 -5.534 -4.412 1.00 1.45 H new ATOM 0 HG22 VAL A 38 0.451 -5.115 -6.137 1.00 1.45 H new ATOM 0 HG23 VAL A 38 1.424 -6.517 -5.630 1.00 1.45 H new ATOM 638 N ILE A 39 5.498 -4.152 -5.943 1.00 3.02 N ATOM 639 CA ILE A 39 6.783 -3.433 -5.822 1.00 33.04 C ATOM 640 C ILE A 39 7.262 -2.912 -7.198 1.00 22.25 C ATOM 641 O ILE A 39 7.643 -1.747 -7.327 1.00 44.30 O ATOM 642 CB ILE A 39 7.889 -4.354 -5.184 1.00 10.43 C ATOM 643 CG1 ILE A 39 7.520 -4.725 -3.715 1.00 62.44 C ATOM 644 CG2 ILE A 39 9.283 -3.696 -5.252 1.00 71.53 C ATOM 645 CD1 ILE A 39 8.494 -5.675 -3.030 1.00 1.24 C ATOM 0 H ILE A 39 5.538 -5.115 -5.609 1.00 3.02 H new ATOM 0 HA ILE A 39 6.618 -2.579 -5.165 1.00 33.04 H new ATOM 0 HB ILE A 39 7.931 -5.273 -5.769 1.00 10.43 H new ATOM 0 HG12 ILE A 39 7.456 -3.808 -3.129 1.00 62.44 H new ATOM 0 HG13 ILE A 39 6.528 -5.177 -3.708 1.00 62.44 H new ATOM 0 HG21 ILE A 39 10.021 -4.360 -4.802 1.00 71.53 H new ATOM 0 HG22 ILE A 39 9.548 -3.511 -6.293 1.00 71.53 H new ATOM 0 HG23 ILE A 39 9.266 -2.751 -4.709 1.00 71.53 H new ATOM 0 HD11 ILE A 39 8.154 -5.874 -2.014 1.00 1.24 H new ATOM 0 HD12 ILE A 39 8.542 -6.611 -3.587 1.00 1.24 H new ATOM 0 HD13 ILE A 39 9.484 -5.221 -2.999 1.00 1.24 H new ATOM 657 N LYS A 40 7.217 -3.796 -8.215 1.00 31.12 N ATOM 658 CA LYS A 40 7.629 -3.464 -9.600 1.00 11.34 C ATOM 659 C LYS A 40 6.695 -2.416 -10.218 1.00 40.02 C ATOM 660 O LYS A 40 7.124 -1.613 -11.046 1.00 55.25 O ATOM 661 CB LYS A 40 7.636 -4.732 -10.479 1.00 4.45 C ATOM 662 CG LYS A 40 8.603 -5.822 -9.995 1.00 33.50 C ATOM 663 CD LYS A 40 8.520 -7.100 -10.855 1.00 44.13 C ATOM 664 CE LYS A 40 9.427 -8.221 -10.336 1.00 10.13 C ATOM 665 NZ LYS A 40 9.107 -8.577 -8.931 1.00 25.03 N ATOM 0 H LYS A 40 6.896 -4.758 -8.103 1.00 31.12 H new ATOM 0 HA LYS A 40 8.636 -3.050 -9.556 1.00 11.34 H new ATOM 0 HB2 LYS A 40 6.627 -5.144 -10.512 1.00 4.45 H new ATOM 0 HB3 LYS A 40 7.900 -4.453 -11.499 1.00 4.45 H new ATOM 0 HG2 LYS A 40 9.622 -5.437 -10.018 1.00 33.50 H new ATOM 0 HG3 LYS A 40 8.379 -6.069 -8.957 1.00 33.50 H new ATOM 0 HD2 LYS A 40 7.489 -7.453 -10.876 1.00 44.13 H new ATOM 0 HD3 LYS A 40 8.796 -6.861 -11.882 1.00 44.13 H new ATOM 0 HE2 LYS A 40 9.317 -9.101 -10.969 1.00 10.13 H new ATOM 0 HE3 LYS A 40 10.469 -7.908 -10.404 1.00 10.13 H new ATOM 0 HZ1 LYS A 40 9.880 -8.265 -8.309 1.00 25.03 H new ATOM 0 HZ2 LYS A 40 8.223 -8.108 -8.647 1.00 25.03 H new ATOM 0 HZ3 LYS A 40 8.994 -9.608 -8.851 1.00 25.03 H new ATOM 679 N GLU A 41 5.418 -2.455 -9.797 1.00 21.24 N ATOM 680 CA GLU A 41 4.386 -1.500 -10.225 1.00 25.12 C ATOM 681 C GLU A 41 4.720 -0.098 -9.676 1.00 34.10 C ATOM 682 O GLU A 41 4.702 0.883 -10.416 1.00 31.12 O ATOM 683 CB GLU A 41 2.993 -1.962 -9.711 1.00 72.01 C ATOM 684 CG GLU A 41 1.794 -1.184 -10.290 1.00 31.55 C ATOM 685 CD GLU A 41 1.446 -1.585 -11.740 1.00 1.15 C ATOM 686 OE1 GLU A 41 0.628 -2.518 -11.921 1.00 71.21 O ATOM 687 OE2 GLU A 41 1.980 -0.979 -12.699 1.00 53.13 O ATOM 0 H GLU A 41 5.073 -3.158 -9.144 1.00 21.24 H new ATOM 0 HA GLU A 41 4.360 -1.458 -11.314 1.00 25.12 H new ATOM 0 HB2 GLU A 41 2.868 -3.019 -9.945 1.00 72.01 H new ATOM 0 HB3 GLU A 41 2.975 -1.872 -8.625 1.00 72.01 H new ATOM 0 HG2 GLU A 41 0.923 -1.349 -9.656 1.00 31.55 H new ATOM 0 HG3 GLU A 41 2.013 -0.117 -10.259 1.00 31.55 H new ATOM 694 N ILE A 42 5.053 -0.064 -8.367 1.00 40.13 N ATOM 695 CA ILE A 42 5.460 1.148 -7.636 1.00 43.11 C ATOM 696 C ILE A 42 6.685 1.806 -8.315 1.00 73.42 C ATOM 697 O ILE A 42 6.701 3.016 -8.542 1.00 13.42 O ATOM 698 CB ILE A 42 5.785 0.797 -6.124 1.00 31.21 C ATOM 699 CG1 ILE A 42 4.510 0.268 -5.371 1.00 35.32 C ATOM 700 CG2 ILE A 42 6.391 2.004 -5.379 1.00 15.22 C ATOM 701 CD1 ILE A 42 4.797 -0.460 -4.057 1.00 60.22 C ATOM 0 H ILE A 42 5.045 -0.898 -7.780 1.00 40.13 H new ATOM 0 HA ILE A 42 4.634 1.858 -7.657 1.00 43.11 H new ATOM 0 HB ILE A 42 6.529 0.000 -6.134 1.00 31.21 H new ATOM 0 HG12 ILE A 42 3.850 1.111 -5.166 1.00 35.32 H new ATOM 0 HG13 ILE A 42 3.968 -0.407 -6.033 1.00 35.32 H new ATOM 0 HG21 ILE A 42 6.601 1.726 -4.346 1.00 15.22 H new ATOM 0 HG22 ILE A 42 7.317 2.306 -5.869 1.00 15.22 H new ATOM 0 HG23 ILE A 42 5.684 2.834 -5.395 1.00 15.22 H new ATOM 0 HD11 ILE A 42 3.858 -0.788 -3.610 1.00 60.22 H new ATOM 0 HD12 ILE A 42 5.429 -1.327 -4.252 1.00 60.22 H new ATOM 0 HD13 ILE A 42 5.309 0.215 -3.371 1.00 60.22 H new ATOM 713 N GLN A 43 7.684 0.972 -8.668 1.00 62.01 N ATOM 714 CA GLN A 43 8.942 1.439 -9.283 1.00 62.13 C ATOM 715 C GLN A 43 8.705 1.968 -10.709 1.00 42.02 C ATOM 716 O GLN A 43 9.198 3.044 -11.060 1.00 31.31 O ATOM 717 CB GLN A 43 10.002 0.313 -9.314 1.00 63.34 C ATOM 718 CG GLN A 43 10.441 -0.199 -7.930 1.00 74.21 C ATOM 719 CD GLN A 43 11.544 -1.255 -8.006 1.00 5.35 C ATOM 720 OE1 GLN A 43 12.369 -1.257 -8.920 1.00 72.02 O ATOM 721 NE2 GLN A 43 11.574 -2.164 -7.054 1.00 14.44 N ATOM 0 H GLN A 43 7.642 -0.038 -8.536 1.00 62.01 H new ATOM 0 HA GLN A 43 9.316 2.256 -8.666 1.00 62.13 H new ATOM 0 HB2 GLN A 43 9.605 -0.525 -9.887 1.00 63.34 H new ATOM 0 HB3 GLN A 43 10.881 0.675 -9.847 1.00 63.34 H new ATOM 0 HG2 GLN A 43 10.792 0.642 -7.332 1.00 74.21 H new ATOM 0 HG3 GLN A 43 9.578 -0.619 -7.414 1.00 74.21 H new ATOM 0 HE21 GLN A 43 10.880 -2.143 -6.307 1.00 14.44 H new ATOM 0 HE22 GLN A 43 12.291 -2.889 -7.064 1.00 14.44 H new ATOM 730 N LYS A 44 7.936 1.195 -11.513 1.00 41.10 N ATOM 731 CA LYS A 44 7.676 1.514 -12.930 1.00 33.15 C ATOM 732 C LYS A 44 6.909 2.844 -13.067 1.00 61.32 C ATOM 733 O LYS A 44 7.313 3.724 -13.840 1.00 31.11 O ATOM 734 CB LYS A 44 6.891 0.359 -13.630 1.00 14.33 C ATOM 735 CG LYS A 44 6.541 0.647 -15.115 1.00 34.10 C ATOM 736 CD LYS A 44 7.801 0.825 -16.009 1.00 65.31 C ATOM 737 CE LYS A 44 7.493 1.552 -17.328 1.00 35.43 C ATOM 738 NZ LYS A 44 6.455 0.861 -18.138 1.00 73.35 N ATOM 0 H LYS A 44 7.483 0.338 -11.196 1.00 41.10 H new ATOM 0 HA LYS A 44 8.641 1.623 -13.426 1.00 33.15 H new ATOM 0 HB2 LYS A 44 7.484 -0.554 -13.577 1.00 14.33 H new ATOM 0 HB3 LYS A 44 5.969 0.173 -13.079 1.00 14.33 H new ATOM 0 HG2 LYS A 44 5.937 -0.171 -15.506 1.00 34.10 H new ATOM 0 HG3 LYS A 44 5.931 1.549 -15.171 1.00 34.10 H new ATOM 0 HD2 LYS A 44 8.557 1.385 -15.458 1.00 65.31 H new ATOM 0 HD3 LYS A 44 8.227 -0.154 -16.229 1.00 65.31 H new ATOM 0 HE2 LYS A 44 7.161 2.567 -17.109 1.00 35.43 H new ATOM 0 HE3 LYS A 44 8.408 1.636 -17.914 1.00 35.43 H new ATOM 0 HZ1 LYS A 44 6.324 1.366 -19.038 1.00 73.35 H new ATOM 0 HZ2 LYS A 44 6.757 -0.115 -18.330 1.00 73.35 H new ATOM 0 HZ3 LYS A 44 5.557 0.849 -17.614 1.00 73.35 H new ATOM 752 N LYS A 45 5.825 2.978 -12.287 1.00 32.32 N ATOM 753 CA LYS A 45 4.931 4.151 -12.338 1.00 51.04 C ATOM 754 C LYS A 45 5.572 5.359 -11.635 1.00 24.13 C ATOM 755 O LYS A 45 5.199 6.504 -11.898 1.00 30.21 O ATOM 756 CB LYS A 45 3.561 3.798 -11.707 1.00 62.13 C ATOM 757 CG LYS A 45 2.876 2.574 -12.368 1.00 53.03 C ATOM 758 CD LYS A 45 1.429 2.337 -11.885 1.00 20.12 C ATOM 759 CE LYS A 45 0.496 3.512 -12.223 1.00 65.42 C ATOM 760 NZ LYS A 45 -0.933 3.150 -12.082 1.00 71.11 N ATOM 0 H LYS A 45 5.541 2.277 -11.602 1.00 32.32 H new ATOM 0 HA LYS A 45 4.771 4.426 -13.380 1.00 51.04 H new ATOM 0 HB2 LYS A 45 3.699 3.598 -10.645 1.00 62.13 H new ATOM 0 HB3 LYS A 45 2.900 4.661 -11.785 1.00 62.13 H new ATOM 0 HG2 LYS A 45 2.871 2.712 -13.449 1.00 53.03 H new ATOM 0 HG3 LYS A 45 3.469 1.682 -12.163 1.00 53.03 H new ATOM 0 HD2 LYS A 45 1.041 1.426 -12.342 1.00 20.12 H new ATOM 0 HD3 LYS A 45 1.431 2.177 -10.807 1.00 20.12 H new ATOM 0 HE2 LYS A 45 0.722 4.353 -11.568 1.00 65.42 H new ATOM 0 HE3 LYS A 45 0.686 3.843 -13.244 1.00 65.42 H new ATOM 0 HZ1 LYS A 45 -1.510 4.015 -12.068 1.00 71.11 H new ATOM 0 HZ2 LYS A 45 -1.221 2.554 -12.884 1.00 71.11 H new ATOM 0 HZ3 LYS A 45 -1.072 2.626 -11.194 1.00 71.11 H new ATOM 774 N GLY A 46 6.528 5.080 -10.740 1.00 53.23 N ATOM 775 CA GLY A 46 7.285 6.128 -10.053 1.00 34.12 C ATOM 776 C GLY A 46 6.504 6.721 -8.905 1.00 22.31 C ATOM 777 O GLY A 46 6.402 7.942 -8.768 1.00 53.31 O ATOM 0 H GLY A 46 6.795 4.132 -10.475 1.00 53.23 H new ATOM 0 HA2 GLY A 46 8.222 5.715 -9.680 1.00 34.12 H new ATOM 0 HA3 GLY A 46 7.543 6.915 -10.762 1.00 34.12 H new ATOM 781 N VAL A 47 5.931 5.826 -8.101 1.00 52.50 N ATOM 782 CA VAL A 47 5.114 6.164 -6.944 1.00 22.42 C ATOM 783 C VAL A 47 6.017 6.606 -5.790 1.00 22.33 C ATOM 784 O VAL A 47 6.984 5.918 -5.465 1.00 62.32 O ATOM 785 CB VAL A 47 4.251 4.933 -6.510 1.00 31.44 C ATOM 786 CG1 VAL A 47 3.369 5.260 -5.287 1.00 2.02 C ATOM 787 CG2 VAL A 47 3.407 4.395 -7.695 1.00 41.42 C ATOM 0 H VAL A 47 6.027 4.821 -8.243 1.00 52.50 H new ATOM 0 HA VAL A 47 4.443 6.981 -7.209 1.00 22.42 H new ATOM 0 HB VAL A 47 4.936 4.141 -6.208 1.00 31.44 H new ATOM 0 HG11 VAL A 47 2.784 4.381 -5.015 1.00 2.02 H new ATOM 0 HG12 VAL A 47 4.003 5.548 -4.448 1.00 2.02 H new ATOM 0 HG13 VAL A 47 2.696 6.082 -5.533 1.00 2.02 H new ATOM 0 HG21 VAL A 47 2.818 3.540 -7.363 1.00 41.42 H new ATOM 0 HG22 VAL A 47 2.739 5.179 -8.052 1.00 41.42 H new ATOM 0 HG23 VAL A 47 4.070 4.087 -8.504 1.00 41.42 H new ATOM 797 N GLN A 48 5.694 7.752 -5.188 1.00 33.25 N ATOM 798 CA GLN A 48 6.508 8.356 -4.126 1.00 2.14 C ATOM 799 C GLN A 48 6.168 7.743 -2.751 1.00 50.42 C ATOM 800 O GLN A 48 7.063 7.334 -2.004 1.00 51.52 O ATOM 801 CB GLN A 48 6.313 9.901 -4.098 1.00 51.52 C ATOM 802 CG GLN A 48 6.889 10.672 -5.318 1.00 2.22 C ATOM 803 CD GLN A 48 6.161 10.422 -6.653 1.00 22.23 C ATOM 804 OE1 GLN A 48 4.961 10.136 -6.697 1.00 21.24 O ATOM 805 NE2 GLN A 48 6.868 10.579 -7.758 1.00 62.52 N ATOM 0 H GLN A 48 4.860 8.290 -5.422 1.00 33.25 H new ATOM 0 HA GLN A 48 7.555 8.143 -4.342 1.00 2.14 H new ATOM 0 HB2 GLN A 48 5.246 10.113 -4.027 1.00 51.52 H new ATOM 0 HB3 GLN A 48 6.777 10.292 -3.192 1.00 51.52 H new ATOM 0 HG2 GLN A 48 6.859 11.740 -5.100 1.00 2.22 H new ATOM 0 HG3 GLN A 48 7.938 10.400 -5.438 1.00 2.22 H new ATOM 0 HE21 GLN A 48 7.859 10.815 -7.700 1.00 62.52 H new ATOM 0 HE22 GLN A 48 6.423 10.464 -8.669 1.00 62.52 H new ATOM 814 N LYS A 49 4.864 7.678 -2.430 1.00 33.34 N ATOM 815 CA LYS A 49 4.379 7.201 -1.115 1.00 65.24 C ATOM 816 C LYS A 49 3.593 5.900 -1.279 1.00 24.11 C ATOM 817 O LYS A 49 2.806 5.766 -2.211 1.00 31.03 O ATOM 818 CB LYS A 49 3.460 8.268 -0.465 1.00 74.11 C ATOM 819 CG LYS A 49 4.129 9.636 -0.225 1.00 3.43 C ATOM 820 CD LYS A 49 3.165 10.643 0.447 1.00 3.21 C ATOM 821 CE LYS A 49 3.803 12.022 0.656 1.00 20.25 C ATOM 822 NZ LYS A 49 4.226 12.634 -0.632 1.00 34.04 N ATOM 0 H LYS A 49 4.117 7.952 -3.068 1.00 33.34 H new ATOM 0 HA LYS A 49 5.244 7.024 -0.475 1.00 65.24 H new ATOM 0 HB2 LYS A 49 2.587 8.413 -1.102 1.00 74.11 H new ATOM 0 HB3 LYS A 49 3.098 7.884 0.489 1.00 74.11 H new ATOM 0 HG2 LYS A 49 5.010 9.503 0.403 1.00 3.43 H new ATOM 0 HG3 LYS A 49 4.473 10.043 -1.176 1.00 3.43 H new ATOM 0 HD2 LYS A 49 2.271 10.750 -0.168 1.00 3.21 H new ATOM 0 HD3 LYS A 49 2.844 10.246 1.410 1.00 3.21 H new ATOM 0 HE2 LYS A 49 3.092 12.680 1.155 1.00 20.25 H new ATOM 0 HE3 LYS A 49 4.666 11.927 1.315 1.00 20.25 H new ATOM 0 HZ1 LYS A 49 4.479 13.631 -0.476 1.00 34.04 H new ATOM 0 HZ2 LYS A 49 5.051 12.122 -1.005 1.00 34.04 H new ATOM 0 HZ3 LYS A 49 3.445 12.578 -1.316 1.00 34.04 H new ATOM 836 N VAL A 50 3.817 4.945 -0.367 1.00 11.34 N ATOM 837 CA VAL A 50 3.091 3.664 -0.325 1.00 34.23 C ATOM 838 C VAL A 50 2.671 3.362 1.123 1.00 70.13 C ATOM 839 O VAL A 50 3.517 3.253 2.012 1.00 25.14 O ATOM 840 CB VAL A 50 3.959 2.474 -0.896 1.00 32.31 C ATOM 841 CG1 VAL A 50 3.241 1.106 -0.743 1.00 10.33 C ATOM 842 CG2 VAL A 50 4.332 2.738 -2.374 1.00 0.31 C ATOM 0 H VAL A 50 4.514 5.039 0.371 1.00 11.34 H new ATOM 0 HA VAL A 50 2.208 3.756 -0.958 1.00 34.23 H new ATOM 0 HB VAL A 50 4.875 2.423 -0.307 1.00 32.31 H new ATOM 0 HG11 VAL A 50 3.873 0.316 -1.148 1.00 10.33 H new ATOM 0 HG12 VAL A 50 3.049 0.912 0.312 1.00 10.33 H new ATOM 0 HG13 VAL A 50 2.296 1.129 -1.285 1.00 10.33 H new ATOM 0 HG21 VAL A 50 4.930 1.909 -2.752 1.00 0.31 H new ATOM 0 HG22 VAL A 50 3.423 2.830 -2.968 1.00 0.31 H new ATOM 0 HG23 VAL A 50 4.907 3.662 -2.445 1.00 0.31 H new ATOM 852 N VAL A 51 1.353 3.248 1.342 1.00 24.43 N ATOM 853 CA VAL A 51 0.781 2.789 2.611 1.00 40.25 C ATOM 854 C VAL A 51 0.688 1.249 2.583 1.00 33.44 C ATOM 855 O VAL A 51 0.218 0.676 1.602 1.00 25.22 O ATOM 856 CB VAL A 51 -0.639 3.435 2.870 1.00 44.40 C ATOM 857 CG1 VAL A 51 -1.452 2.645 3.916 1.00 31.42 C ATOM 858 CG2 VAL A 51 -0.508 4.911 3.316 1.00 33.24 C ATOM 0 H VAL A 51 0.651 3.474 0.637 1.00 24.43 H new ATOM 0 HA VAL A 51 1.427 3.103 3.430 1.00 40.25 H new ATOM 0 HB VAL A 51 -1.177 3.396 1.923 1.00 44.40 H new ATOM 0 HG11 VAL A 51 -2.420 3.124 4.062 1.00 31.42 H new ATOM 0 HG12 VAL A 51 -1.602 1.624 3.565 1.00 31.42 H new ATOM 0 HG13 VAL A 51 -0.909 2.627 4.861 1.00 31.42 H new ATOM 0 HG21 VAL A 51 -1.500 5.329 3.487 1.00 33.24 H new ATOM 0 HG22 VAL A 51 0.071 4.962 4.238 1.00 33.24 H new ATOM 0 HG23 VAL A 51 -0.002 5.483 2.538 1.00 33.24 H new ATOM 868 N LEU A 52 1.154 0.599 3.658 1.00 5.43 N ATOM 869 CA LEU A 52 1.055 -0.855 3.836 1.00 23.21 C ATOM 870 C LEU A 52 0.075 -1.149 4.989 1.00 71.50 C ATOM 871 O LEU A 52 0.438 -1.039 6.170 1.00 21.05 O ATOM 872 CB LEU A 52 2.460 -1.458 4.113 1.00 22.24 C ATOM 873 CG LEU A 52 3.502 -1.384 2.947 1.00 45.23 C ATOM 874 CD1 LEU A 52 4.835 -2.031 3.341 1.00 73.33 C ATOM 875 CD2 LEU A 52 2.970 -2.025 1.664 1.00 0.10 C ATOM 0 H LEU A 52 1.614 1.073 4.435 1.00 5.43 H new ATOM 0 HA LEU A 52 0.675 -1.320 2.926 1.00 23.21 H new ATOM 0 HB2 LEU A 52 2.883 -0.950 4.979 1.00 22.24 H new ATOM 0 HB3 LEU A 52 2.332 -2.505 4.389 1.00 22.24 H new ATOM 0 HG LEU A 52 3.674 -0.325 2.753 1.00 45.23 H new ATOM 0 HD11 LEU A 52 5.534 -1.961 2.507 1.00 73.33 H new ATOM 0 HD12 LEU A 52 5.249 -1.513 4.206 1.00 73.33 H new ATOM 0 HD13 LEU A 52 4.671 -3.079 3.590 1.00 73.33 H new ATOM 0 HD21 LEU A 52 3.725 -1.952 0.881 1.00 0.10 H new ATOM 0 HD22 LEU A 52 2.740 -3.074 1.850 1.00 0.10 H new ATOM 0 HD23 LEU A 52 2.066 -1.506 1.346 1.00 0.10 H new ATOM 887 N VAL A 53 -1.186 -1.456 4.628 1.00 1.31 N ATOM 888 CA VAL A 53 -2.274 -1.723 5.585 1.00 63.41 C ATOM 889 C VAL A 53 -2.257 -3.188 6.063 1.00 73.11 C ATOM 890 O VAL A 53 -2.454 -4.118 5.259 1.00 43.44 O ATOM 891 CB VAL A 53 -3.704 -1.393 4.999 1.00 13.25 C ATOM 892 CG1 VAL A 53 -4.801 -1.524 6.090 1.00 13.20 C ATOM 893 CG2 VAL A 53 -3.746 0.003 4.352 1.00 45.12 C ATOM 0 H VAL A 53 -1.479 -1.526 3.654 1.00 1.31 H new ATOM 0 HA VAL A 53 -2.089 -1.057 6.428 1.00 63.41 H new ATOM 0 HB VAL A 53 -3.908 -2.126 4.219 1.00 13.25 H new ATOM 0 HG11 VAL A 53 -5.774 -1.291 5.657 1.00 13.20 H new ATOM 0 HG12 VAL A 53 -4.810 -2.543 6.476 1.00 13.20 H new ATOM 0 HG13 VAL A 53 -4.590 -0.830 6.903 1.00 13.20 H new ATOM 0 HG21 VAL A 53 -4.746 0.193 3.961 1.00 45.12 H new ATOM 0 HG22 VAL A 53 -3.499 0.758 5.099 1.00 45.12 H new ATOM 0 HG23 VAL A 53 -3.023 0.048 3.538 1.00 45.12 H new ATOM 903 N GLY A 54 -2.010 -3.366 7.380 1.00 1.41 N ATOM 904 CA GLY A 54 -2.144 -4.655 8.064 1.00 1.13 C ATOM 905 C GLY A 54 -1.197 -5.734 7.547 1.00 34.24 C ATOM 906 O GLY A 54 -1.562 -6.914 7.490 1.00 11.52 O ATOM 0 H GLY A 54 -1.711 -2.609 7.995 1.00 1.41 H new ATOM 0 HA2 GLY A 54 -1.965 -4.510 9.129 1.00 1.13 H new ATOM 0 HA3 GLY A 54 -3.171 -5.006 7.958 1.00 1.13 H new ATOM 910 N VAL A 55 0.028 -5.326 7.171 1.00 32.01 N ATOM 911 CA VAL A 55 1.051 -6.236 6.619 1.00 3.33 C ATOM 912 C VAL A 55 1.961 -6.772 7.736 1.00 75.32 C ATOM 913 O VAL A 55 1.984 -6.232 8.855 1.00 44.34 O ATOM 914 CB VAL A 55 1.928 -5.523 5.514 1.00 31.21 C ATOM 915 CG1 VAL A 55 1.047 -4.946 4.376 1.00 61.31 C ATOM 916 CG2 VAL A 55 2.846 -4.432 6.131 1.00 71.24 C ATOM 0 H VAL A 55 0.338 -4.357 7.241 1.00 32.01 H new ATOM 0 HA VAL A 55 0.525 -7.069 6.154 1.00 3.33 H new ATOM 0 HB VAL A 55 2.575 -6.281 5.073 1.00 31.21 H new ATOM 0 HG11 VAL A 55 1.682 -4.463 3.634 1.00 61.31 H new ATOM 0 HG12 VAL A 55 0.487 -5.754 3.904 1.00 61.31 H new ATOM 0 HG13 VAL A 55 0.352 -4.215 4.789 1.00 61.31 H new ATOM 0 HG21 VAL A 55 3.434 -3.963 5.342 1.00 71.24 H new ATOM 0 HG22 VAL A 55 2.233 -3.677 6.624 1.00 71.24 H new ATOM 0 HG23 VAL A 55 3.515 -4.889 6.860 1.00 71.24 H new ATOM 926 N SER A 56 2.706 -7.838 7.420 1.00 1.14 N ATOM 927 CA SER A 56 3.774 -8.356 8.286 1.00 44.42 C ATOM 928 C SER A 56 5.017 -7.445 8.170 1.00 61.12 C ATOM 929 O SER A 56 5.204 -6.803 7.132 1.00 31.10 O ATOM 930 CB SER A 56 4.117 -9.797 7.857 1.00 21.21 C ATOM 931 OG SER A 56 2.956 -10.606 7.858 1.00 11.33 O ATOM 0 H SER A 56 2.586 -8.367 6.556 1.00 1.14 H new ATOM 0 HA SER A 56 3.444 -8.364 9.325 1.00 44.42 H new ATOM 0 HB2 SER A 56 4.561 -9.790 6.862 1.00 21.21 H new ATOM 0 HB3 SER A 56 4.860 -10.217 8.535 1.00 21.21 H new ATOM 0 HG SER A 56 3.191 -11.516 7.582 1.00 11.33 H new ATOM 937 N GLU A 57 5.863 -7.421 9.222 1.00 11.22 N ATOM 938 CA GLU A 57 7.117 -6.616 9.253 1.00 51.14 C ATOM 939 C GLU A 57 8.133 -7.121 8.212 1.00 12.03 C ATOM 940 O GLU A 57 8.941 -6.345 7.691 1.00 62.43 O ATOM 941 CB GLU A 57 7.746 -6.634 10.673 1.00 63.04 C ATOM 942 CG GLU A 57 6.823 -6.088 11.782 1.00 23.21 C ATOM 943 CD GLU A 57 6.357 -4.635 11.537 1.00 2.53 C ATOM 944 OE1 GLU A 57 7.102 -3.697 11.889 1.00 24.43 O ATOM 945 OE2 GLU A 57 5.245 -4.433 11.003 1.00 74.21 O ATOM 0 H GLU A 57 5.702 -7.956 10.075 1.00 11.22 H new ATOM 0 HA GLU A 57 6.856 -5.589 8.999 1.00 51.14 H new ATOM 0 HB2 GLU A 57 8.026 -7.658 10.921 1.00 63.04 H new ATOM 0 HB3 GLU A 57 8.664 -6.047 10.659 1.00 63.04 H new ATOM 0 HG2 GLU A 57 5.948 -6.733 11.865 1.00 23.21 H new ATOM 0 HG3 GLU A 57 7.347 -6.137 12.737 1.00 23.21 H new ATOM 952 N LYS A 58 8.058 -8.431 7.916 1.00 32.30 N ATOM 953 CA LYS A 58 8.901 -9.088 6.900 1.00 44.35 C ATOM 954 C LYS A 58 8.480 -8.673 5.472 1.00 32.02 C ATOM 955 O LYS A 58 9.307 -8.680 4.561 1.00 1.45 O ATOM 956 CB LYS A 58 8.846 -10.625 7.093 1.00 2.11 C ATOM 957 CG LYS A 58 9.433 -11.099 8.450 1.00 45.13 C ATOM 958 CD LYS A 58 9.320 -12.627 8.699 1.00 32.34 C ATOM 959 CE LYS A 58 7.873 -13.121 8.962 1.00 73.14 C ATOM 960 NZ LYS A 58 7.043 -13.183 7.729 1.00 50.25 N ATOM 0 H LYS A 58 7.408 -9.067 8.377 1.00 32.30 H new ATOM 0 HA LYS A 58 9.933 -8.762 7.030 1.00 44.35 H new ATOM 0 HB2 LYS A 58 7.810 -10.956 7.019 1.00 2.11 H new ATOM 0 HB3 LYS A 58 9.393 -11.105 6.282 1.00 2.11 H new ATOM 0 HG2 LYS A 58 10.484 -10.812 8.498 1.00 45.13 H new ATOM 0 HG3 LYS A 58 8.922 -10.573 9.257 1.00 45.13 H new ATOM 0 HD2 LYS A 58 9.721 -13.156 7.834 1.00 32.34 H new ATOM 0 HD3 LYS A 58 9.944 -12.892 9.553 1.00 32.34 H new ATOM 0 HE2 LYS A 58 7.911 -14.111 9.417 1.00 73.14 H new ATOM 0 HE3 LYS A 58 7.394 -12.457 9.682 1.00 73.14 H new ATOM 0 HZ1 LYS A 58 6.318 -12.438 7.761 1.00 50.25 H new ATOM 0 HZ2 LYS A 58 7.648 -13.041 6.895 1.00 50.25 H new ATOM 0 HZ3 LYS A 58 6.582 -14.113 7.667 1.00 50.25 H new ATOM 974 N LEU A 59 7.192 -8.308 5.286 1.00 41.43 N ATOM 975 CA LEU A 59 6.714 -7.692 4.027 1.00 41.03 C ATOM 976 C LEU A 59 7.003 -6.181 4.041 1.00 40.13 C ATOM 977 O LEU A 59 7.356 -5.611 3.020 1.00 60.22 O ATOM 978 CB LEU A 59 5.189 -7.931 3.810 1.00 34.13 C ATOM 979 CG LEU A 59 4.758 -9.379 3.414 1.00 41.14 C ATOM 980 CD1 LEU A 59 3.222 -9.482 3.265 1.00 24.33 C ATOM 981 CD2 LEU A 59 5.481 -9.846 2.124 1.00 73.10 C ATOM 0 H LEU A 59 6.465 -8.429 5.991 1.00 41.43 H new ATOM 0 HA LEU A 59 7.249 -8.164 3.203 1.00 41.03 H new ATOM 0 HB2 LEU A 59 4.667 -7.659 4.728 1.00 34.13 H new ATOM 0 HB3 LEU A 59 4.844 -7.248 3.033 1.00 34.13 H new ATOM 0 HG LEU A 59 5.058 -10.048 4.221 1.00 41.14 H new ATOM 0 HD11 LEU A 59 2.951 -10.501 2.989 1.00 24.33 H new ATOM 0 HD12 LEU A 59 2.747 -9.224 4.211 1.00 24.33 H new ATOM 0 HD13 LEU A 59 2.885 -8.794 2.490 1.00 24.33 H new ATOM 0 HD21 LEU A 59 5.161 -10.857 1.873 1.00 73.10 H new ATOM 0 HD22 LEU A 59 5.232 -9.173 1.304 1.00 73.10 H new ATOM 0 HD23 LEU A 59 6.559 -9.837 2.287 1.00 73.10 H new ATOM 993 N LEU A 60 6.885 -5.565 5.229 1.00 64.50 N ATOM 994 CA LEU A 60 6.974 -4.104 5.400 1.00 32.12 C ATOM 995 C LEU A 60 8.332 -3.556 4.925 1.00 22.31 C ATOM 996 O LEU A 60 8.401 -2.722 4.014 1.00 1.21 O ATOM 997 CB LEU A 60 6.772 -3.730 6.880 1.00 13.23 C ATOM 998 CG LEU A 60 6.831 -2.194 7.187 1.00 63.24 C ATOM 999 CD1 LEU A 60 5.460 -1.524 7.019 1.00 44.22 C ATOM 1000 CD2 LEU A 60 7.461 -1.920 8.560 1.00 71.03 C ATOM 0 H LEU A 60 6.725 -6.068 6.102 1.00 64.50 H new ATOM 0 HA LEU A 60 6.189 -3.658 4.790 1.00 32.12 H new ATOM 0 HB2 LEU A 60 5.806 -4.114 7.208 1.00 13.23 H new ATOM 0 HB3 LEU A 60 7.534 -4.234 7.474 1.00 13.23 H new ATOM 0 HG LEU A 60 7.486 -1.735 6.446 1.00 63.24 H new ATOM 0 HD11 LEU A 60 5.545 -0.460 7.241 1.00 44.22 H new ATOM 0 HD12 LEU A 60 5.115 -1.654 5.993 1.00 44.22 H new ATOM 0 HD13 LEU A 60 4.745 -1.981 7.703 1.00 44.22 H new ATOM 0 HD21 LEU A 60 7.486 -0.845 8.741 1.00 71.03 H new ATOM 0 HD22 LEU A 60 6.868 -2.405 9.336 1.00 71.03 H new ATOM 0 HD23 LEU A 60 8.477 -2.315 8.580 1.00 71.03 H new ATOM 1012 N GLN A 61 9.399 -4.065 5.570 1.00 2.33 N ATOM 1013 CA GLN A 61 10.788 -3.656 5.316 1.00 12.14 C ATOM 1014 C GLN A 61 11.243 -4.116 3.921 1.00 14.02 C ATOM 1015 O GLN A 61 12.191 -3.575 3.368 1.00 13.43 O ATOM 1016 CB GLN A 61 11.721 -4.240 6.408 1.00 0.32 C ATOM 1017 CG GLN A 61 11.354 -3.819 7.847 1.00 14.52 C ATOM 1018 CD GLN A 61 12.259 -4.438 8.916 1.00 22.42 C ATOM 1019 OE1 GLN A 61 13.440 -4.709 8.680 1.00 11.52 O ATOM 1020 NE2 GLN A 61 11.724 -4.652 10.106 1.00 64.11 N ATOM 0 H GLN A 61 9.316 -4.781 6.291 1.00 2.33 H new ATOM 0 HA GLN A 61 10.842 -2.568 5.350 1.00 12.14 H new ATOM 0 HB2 GLN A 61 11.700 -5.328 6.344 1.00 0.32 H new ATOM 0 HB3 GLN A 61 12.744 -3.928 6.200 1.00 0.32 H new ATOM 0 HG2 GLN A 61 11.406 -2.733 7.923 1.00 14.52 H new ATOM 0 HG3 GLN A 61 10.321 -4.104 8.048 1.00 14.52 H new ATOM 0 HE21 GLN A 61 10.745 -4.419 10.275 1.00 64.11 H new ATOM 0 HE22 GLN A 61 12.290 -5.050 10.855 1.00 64.11 H new ATOM 1029 N LYS A 62 10.533 -5.117 3.369 1.00 74.40 N ATOM 1030 CA LYS A 62 10.837 -5.692 2.050 1.00 13.33 C ATOM 1031 C LYS A 62 10.386 -4.738 0.934 1.00 54.34 C ATOM 1032 O LYS A 62 11.178 -4.393 0.057 1.00 54.13 O ATOM 1033 CB LYS A 62 10.179 -7.091 1.911 1.00 21.41 C ATOM 1034 CG LYS A 62 10.510 -7.844 0.598 1.00 11.11 C ATOM 1035 CD LYS A 62 10.120 -9.347 0.664 1.00 72.22 C ATOM 1036 CE LYS A 62 10.450 -10.104 -0.632 1.00 2.54 C ATOM 1037 NZ LYS A 62 10.347 -11.577 -0.462 1.00 5.43 N ATOM 0 H LYS A 62 9.731 -5.549 3.828 1.00 74.40 H new ATOM 0 HA LYS A 62 11.915 -5.821 1.956 1.00 13.33 H new ATOM 0 HB2 LYS A 62 10.491 -7.708 2.754 1.00 21.41 H new ATOM 0 HB3 LYS A 62 9.098 -6.976 1.983 1.00 21.41 H new ATOM 0 HG2 LYS A 62 9.985 -7.371 -0.232 1.00 11.11 H new ATOM 0 HG3 LYS A 62 11.577 -7.757 0.391 1.00 11.11 H new ATOM 0 HD2 LYS A 62 10.642 -9.817 1.497 1.00 72.22 H new ATOM 0 HD3 LYS A 62 9.053 -9.432 0.868 1.00 72.22 H new ATOM 0 HE2 LYS A 62 9.771 -9.783 -1.422 1.00 2.54 H new ATOM 0 HE3 LYS A 62 11.459 -9.847 -0.955 1.00 2.54 H new ATOM 0 HZ1 LYS A 62 10.966 -12.050 -1.151 1.00 5.43 H new ATOM 0 HZ2 LYS A 62 10.639 -11.837 0.502 1.00 5.43 H new ATOM 0 HZ3 LYS A 62 9.363 -11.876 -0.618 1.00 5.43 H new ATOM 1051 N ILE A 63 9.111 -4.285 1.011 1.00 21.00 N ATOM 1052 CA ILE A 63 8.545 -3.278 0.083 1.00 1.13 C ATOM 1053 C ILE A 63 9.362 -1.964 0.180 1.00 11.15 C ATOM 1054 O ILE A 63 9.604 -1.304 -0.829 1.00 3.44 O ATOM 1055 CB ILE A 63 6.987 -3.025 0.358 1.00 52.04 C ATOM 1056 CG1 ILE A 63 6.073 -4.128 -0.309 1.00 73.10 C ATOM 1057 CG2 ILE A 63 6.523 -1.616 -0.109 1.00 20.24 C ATOM 1058 CD1 ILE A 63 6.313 -5.569 0.121 1.00 51.11 C ATOM 0 H ILE A 63 8.448 -4.607 1.716 1.00 21.00 H new ATOM 0 HA ILE A 63 8.620 -3.663 -0.934 1.00 1.13 H new ATOM 0 HB ILE A 63 6.871 -3.086 1.440 1.00 52.04 H new ATOM 0 HG12 ILE A 63 5.033 -3.880 -0.099 1.00 73.10 H new ATOM 0 HG13 ILE A 63 6.203 -4.070 -1.390 1.00 73.10 H new ATOM 0 HG21 ILE A 63 5.460 -1.495 0.100 1.00 20.24 H new ATOM 0 HG22 ILE A 63 7.087 -0.852 0.425 1.00 20.24 H new ATOM 0 HG23 ILE A 63 6.696 -1.512 -1.180 1.00 20.24 H new ATOM 0 HD11 ILE A 63 5.623 -6.226 -0.408 1.00 51.11 H new ATOM 0 HD12 ILE A 63 7.338 -5.853 -0.115 1.00 51.11 H new ATOM 0 HD13 ILE A 63 6.149 -5.660 1.195 1.00 51.11 H new ATOM 1070 N LYS A 64 9.822 -1.643 1.404 1.00 44.14 N ATOM 1071 CA LYS A 64 10.647 -0.453 1.681 1.00 11.10 C ATOM 1072 C LYS A 64 11.977 -0.491 0.888 1.00 50.42 C ATOM 1073 O LYS A 64 12.237 0.409 0.074 1.00 62.45 O ATOM 1074 CB LYS A 64 10.909 -0.350 3.206 1.00 63.01 C ATOM 1075 CG LYS A 64 11.865 0.781 3.640 1.00 43.25 C ATOM 1076 CD LYS A 64 11.377 2.184 3.224 1.00 62.41 C ATOM 1077 CE LYS A 64 12.375 3.282 3.598 1.00 74.20 C ATOM 1078 NZ LYS A 64 11.927 4.610 3.124 1.00 4.44 N ATOM 0 H LYS A 64 9.630 -2.206 2.233 1.00 44.14 H new ATOM 0 HA LYS A 64 10.105 0.434 1.353 1.00 11.10 H new ATOM 0 HB2 LYS A 64 9.954 -0.210 3.713 1.00 63.01 H new ATOM 0 HB3 LYS A 64 11.317 -1.300 3.552 1.00 63.01 H new ATOM 0 HG2 LYS A 64 11.984 0.751 4.723 1.00 43.25 H new ATOM 0 HG3 LYS A 64 12.849 0.602 3.206 1.00 43.25 H new ATOM 0 HD2 LYS A 64 11.207 2.202 2.148 1.00 62.41 H new ATOM 0 HD3 LYS A 64 10.419 2.389 3.702 1.00 62.41 H new ATOM 0 HE2 LYS A 64 12.502 3.305 4.680 1.00 74.20 H new ATOM 0 HE3 LYS A 64 13.349 3.051 3.167 1.00 74.20 H new ATOM 0 HZ1 LYS A 64 12.730 5.116 2.700 1.00 4.44 H new ATOM 0 HZ2 LYS A 64 11.178 4.490 2.412 1.00 4.44 H new ATOM 0 HZ3 LYS A 64 11.557 5.158 3.927 1.00 4.44 H new ATOM 1092 N GLN A 65 12.786 -1.546 1.144 1.00 13.54 N ATOM 1093 CA GLN A 65 14.117 -1.740 0.504 1.00 4.23 C ATOM 1094 C GLN A 65 14.028 -1.761 -1.033 1.00 32.13 C ATOM 1095 O GLN A 65 14.842 -1.139 -1.718 1.00 21.10 O ATOM 1096 CB GLN A 65 14.784 -3.059 0.988 1.00 33.11 C ATOM 1097 CG GLN A 65 15.153 -3.092 2.482 1.00 11.12 C ATOM 1098 CD GLN A 65 15.772 -4.422 2.926 1.00 3.03 C ATOM 1099 OE1 GLN A 65 16.455 -5.100 2.154 1.00 13.50 O ATOM 1100 NE2 GLN A 65 15.527 -4.818 4.162 1.00 74.24 N ATOM 0 H GLN A 65 12.538 -2.288 1.799 1.00 13.54 H new ATOM 0 HA GLN A 65 14.726 -0.887 0.804 1.00 4.23 H new ATOM 0 HB2 GLN A 65 14.109 -3.888 0.778 1.00 33.11 H new ATOM 0 HB3 GLN A 65 15.688 -3.228 0.402 1.00 33.11 H new ATOM 0 HG2 GLN A 65 15.854 -2.285 2.694 1.00 11.12 H new ATOM 0 HG3 GLN A 65 14.258 -2.900 3.074 1.00 11.12 H new ATOM 0 HE21 GLN A 65 14.959 -4.238 4.780 1.00 74.24 H new ATOM 0 HE22 GLN A 65 15.906 -5.703 4.498 1.00 74.24 H new ATOM 1109 N GLU A 66 13.021 -2.482 -1.547 1.00 3.43 N ATOM 1110 CA GLU A 66 12.895 -2.776 -2.983 1.00 61.34 C ATOM 1111 C GLU A 66 12.296 -1.595 -3.770 1.00 60.53 C ATOM 1112 O GLU A 66 12.874 -1.167 -4.777 1.00 41.04 O ATOM 1113 CB GLU A 66 12.060 -4.063 -3.179 1.00 4.54 C ATOM 1114 CG GLU A 66 12.670 -5.330 -2.550 1.00 1.43 C ATOM 1115 CD GLU A 66 14.056 -5.684 -3.114 1.00 32.34 C ATOM 1116 OE1 GLU A 66 14.129 -6.354 -4.158 1.00 71.54 O ATOM 1117 OE2 GLU A 66 15.079 -5.285 -2.514 1.00 31.32 O ATOM 0 H GLU A 66 12.271 -2.878 -0.980 1.00 3.43 H new ATOM 0 HA GLU A 66 13.896 -2.935 -3.385 1.00 61.34 H new ATOM 0 HB2 GLU A 66 11.069 -3.905 -2.754 1.00 4.54 H new ATOM 0 HB3 GLU A 66 11.926 -4.233 -4.247 1.00 4.54 H new ATOM 0 HG2 GLU A 66 12.749 -5.190 -1.472 1.00 1.43 H new ATOM 0 HG3 GLU A 66 11.994 -6.169 -2.713 1.00 1.43 H new ATOM 1124 N ALA A 67 11.149 -1.063 -3.309 1.00 20.40 N ATOM 1125 CA ALA A 67 10.433 0.026 -4.016 1.00 0.23 C ATOM 1126 C ALA A 67 11.136 1.397 -3.844 1.00 72.41 C ATOM 1127 O ALA A 67 10.982 2.276 -4.706 1.00 72.20 O ATOM 1128 CB ALA A 67 8.974 0.089 -3.546 1.00 73.41 C ATOM 0 H ALA A 67 10.694 -1.367 -2.448 1.00 20.40 H new ATOM 0 HA ALA A 67 10.450 -0.202 -5.082 1.00 0.23 H new ATOM 0 HB1 ALA A 67 8.457 0.892 -4.071 1.00 73.41 H new ATOM 0 HB2 ALA A 67 8.482 -0.860 -3.759 1.00 73.41 H new ATOM 0 HB3 ALA A 67 8.945 0.280 -2.473 1.00 73.41 H new ATOM 1134 N ASN A 68 11.905 1.553 -2.725 1.00 62.13 N ATOM 1135 CA ASN A 68 12.689 2.789 -2.394 1.00 3.25 C ATOM 1136 C ASN A 68 11.745 3.995 -2.162 1.00 23.33 C ATOM 1137 O ASN A 68 11.966 5.089 -2.696 1.00 4.05 O ATOM 1138 CB ASN A 68 13.761 3.136 -3.501 1.00 40.51 C ATOM 1139 CG ASN A 68 14.890 2.119 -3.691 1.00 70.04 C ATOM 1140 OD1 ASN A 68 16.043 2.495 -3.940 1.00 11.11 O ATOM 1141 ND2 ASN A 68 14.580 0.845 -3.653 1.00 35.30 N ATOM 0 H ASN A 68 12.000 0.821 -2.021 1.00 62.13 H new ATOM 0 HA ASN A 68 13.231 2.580 -1.472 1.00 3.25 H new ATOM 0 HB2 ASN A 68 13.244 3.256 -4.453 1.00 40.51 H new ATOM 0 HB3 ASN A 68 14.206 4.100 -3.257 1.00 40.51 H new ATOM 0 HD21 ASN A 68 15.296 0.140 -3.831 1.00 35.30 H new ATOM 0 HD22 ASN A 68 13.623 0.559 -3.446 1.00 35.30 H new ATOM 1148 N VAL A 69 10.710 3.793 -1.336 1.00 0.51 N ATOM 1149 CA VAL A 69 9.612 4.778 -1.157 1.00 3.43 C ATOM 1150 C VAL A 69 9.366 5.091 0.323 1.00 72.23 C ATOM 1151 O VAL A 69 9.938 4.445 1.207 1.00 61.13 O ATOM 1152 CB VAL A 69 8.282 4.250 -1.811 1.00 21.14 C ATOM 1153 CG1 VAL A 69 8.418 4.143 -3.344 1.00 42.11 C ATOM 1154 CG2 VAL A 69 7.859 2.896 -1.186 1.00 21.23 C ATOM 0 H VAL A 69 10.602 2.950 -0.772 1.00 0.51 H new ATOM 0 HA VAL A 69 9.921 5.697 -1.654 1.00 3.43 H new ATOM 0 HB VAL A 69 7.494 4.974 -1.603 1.00 21.14 H new ATOM 0 HG11 VAL A 69 7.483 3.776 -3.767 1.00 42.11 H new ATOM 0 HG12 VAL A 69 8.643 5.126 -3.759 1.00 42.11 H new ATOM 0 HG13 VAL A 69 9.224 3.452 -3.590 1.00 42.11 H new ATOM 0 HG21 VAL A 69 6.937 2.551 -1.654 1.00 21.23 H new ATOM 0 HG22 VAL A 69 8.646 2.159 -1.348 1.00 21.23 H new ATOM 0 HG23 VAL A 69 7.696 3.024 -0.116 1.00 21.23 H new ATOM 1164 N GLN A 70 8.504 6.098 0.570 1.00 40.34 N ATOM 1165 CA GLN A 70 8.041 6.442 1.915 1.00 41.33 C ATOM 1166 C GLN A 70 6.938 5.447 2.279 1.00 41.44 C ATOM 1167 O GLN A 70 5.861 5.475 1.684 1.00 23.11 O ATOM 1168 CB GLN A 70 7.470 7.897 1.982 1.00 54.42 C ATOM 1169 CG GLN A 70 8.443 9.036 1.598 1.00 74.05 C ATOM 1170 CD GLN A 70 8.770 9.090 0.100 1.00 31.12 C ATOM 1171 OE1 GLN A 70 9.745 8.502 -0.363 1.00 14.42 O ATOM 1172 NE2 GLN A 70 7.943 9.768 -0.676 1.00 3.04 N ATOM 0 H GLN A 70 8.114 6.691 -0.162 1.00 40.34 H new ATOM 0 HA GLN A 70 8.879 6.394 2.610 1.00 41.33 H new ATOM 0 HB2 GLN A 70 6.602 7.954 1.326 1.00 54.42 H new ATOM 0 HB3 GLN A 70 7.115 8.078 2.997 1.00 54.42 H new ATOM 0 HG2 GLN A 70 8.010 9.989 1.901 1.00 74.05 H new ATOM 0 HG3 GLN A 70 9.370 8.915 2.159 1.00 74.05 H new ATOM 0 HE21 GLN A 70 7.140 10.248 -0.269 1.00 3.04 H new ATOM 0 HE22 GLN A 70 8.107 9.811 -1.682 1.00 3.04 H new ATOM 1181 N VAL A 71 7.214 4.571 3.246 1.00 2.21 N ATOM 1182 CA VAL A 71 6.286 3.509 3.658 1.00 54.30 C ATOM 1183 C VAL A 71 5.572 3.906 4.960 1.00 43.33 C ATOM 1184 O VAL A 71 6.218 4.153 5.982 1.00 72.04 O ATOM 1185 CB VAL A 71 7.034 2.131 3.819 1.00 41.42 C ATOM 1186 CG1 VAL A 71 6.120 1.059 4.457 1.00 21.32 C ATOM 1187 CG2 VAL A 71 7.573 1.652 2.445 1.00 62.34 C ATOM 0 H VAL A 71 8.090 4.575 3.769 1.00 2.21 H new ATOM 0 HA VAL A 71 5.536 3.384 2.877 1.00 54.30 H new ATOM 0 HB VAL A 71 7.877 2.281 4.494 1.00 41.42 H new ATOM 0 HG11 VAL A 71 6.669 0.122 4.552 1.00 21.32 H new ATOM 0 HG12 VAL A 71 5.800 1.394 5.444 1.00 21.32 H new ATOM 0 HG13 VAL A 71 5.245 0.904 3.825 1.00 21.32 H new ATOM 0 HG21 VAL A 71 8.088 0.699 2.568 1.00 62.34 H new ATOM 0 HG22 VAL A 71 6.742 1.528 1.751 1.00 62.34 H new ATOM 0 HG23 VAL A 71 8.269 2.392 2.049 1.00 62.34 H new ATOM 1197 N TYR A 72 4.233 3.980 4.894 1.00 5.11 N ATOM 1198 CA TYR A 72 3.368 4.328 6.030 1.00 20.53 C ATOM 1199 C TYR A 72 2.577 3.077 6.455 1.00 71.33 C ATOM 1200 O TYR A 72 1.642 2.668 5.757 1.00 1.44 O ATOM 1201 CB TYR A 72 2.396 5.465 5.618 1.00 20.42 C ATOM 1202 CG TYR A 72 3.079 6.744 5.100 1.00 45.10 C ATOM 1203 CD1 TYR A 72 3.412 6.894 3.745 1.00 2.42 C ATOM 1204 CD2 TYR A 72 3.380 7.808 5.959 1.00 64.31 C ATOM 1205 CE1 TYR A 72 4.015 8.046 3.279 1.00 4.01 C ATOM 1206 CE2 TYR A 72 3.979 8.963 5.489 1.00 52.40 C ATOM 1207 CZ TYR A 72 4.295 9.077 4.148 1.00 3.03 C ATOM 1208 OH TYR A 72 4.890 10.229 3.673 1.00 2.35 O ATOM 0 H TYR A 72 3.714 3.797 4.035 1.00 5.11 H new ATOM 0 HA TYR A 72 3.974 4.675 6.867 1.00 20.53 H new ATOM 0 HB2 TYR A 72 1.727 5.089 4.844 1.00 20.42 H new ATOM 0 HB3 TYR A 72 1.777 5.723 6.477 1.00 20.42 H new ATOM 0 HD1 TYR A 72 3.193 6.094 3.054 1.00 2.42 H new ATOM 0 HD2 TYR A 72 3.140 7.725 7.009 1.00 64.31 H new ATOM 0 HE1 TYR A 72 4.267 8.138 2.233 1.00 4.01 H new ATOM 0 HE2 TYR A 72 4.199 9.774 6.168 1.00 52.40 H new ATOM 0 HH TYR A 72 5.019 10.859 4.412 1.00 2.35 H new ATOM 1218 N ARG A 73 2.968 2.455 7.579 1.00 21.25 N ATOM 1219 CA ARG A 73 2.304 1.242 8.085 1.00 52.33 C ATOM 1220 C ARG A 73 1.016 1.637 8.814 1.00 62.30 C ATOM 1221 O ARG A 73 1.061 2.217 9.900 1.00 15.53 O ATOM 1222 CB ARG A 73 3.223 0.442 9.031 1.00 15.44 C ATOM 1223 CG ARG A 73 2.589 -0.867 9.552 1.00 13.44 C ATOM 1224 CD ARG A 73 3.550 -1.710 10.395 1.00 70.20 C ATOM 1225 NE ARG A 73 4.065 -0.982 11.568 1.00 63.44 N ATOM 1226 CZ ARG A 73 4.072 -1.446 12.831 1.00 4.32 C ATOM 1227 NH1 ARG A 73 3.588 -2.652 13.118 1.00 32.41 N ATOM 1228 NH2 ARG A 73 4.568 -0.690 13.799 1.00 72.22 N ATOM 0 H ARG A 73 3.745 2.774 8.158 1.00 21.25 H new ATOM 0 HA ARG A 73 2.069 0.601 7.236 1.00 52.33 H new ATOM 0 HB2 ARG A 73 4.149 0.204 8.508 1.00 15.44 H new ATOM 0 HB3 ARG A 73 3.490 1.070 9.881 1.00 15.44 H new ATOM 0 HG2 ARG A 73 1.710 -0.625 10.149 1.00 13.44 H new ATOM 0 HG3 ARG A 73 2.245 -1.459 8.704 1.00 13.44 H new ATOM 0 HD2 ARG A 73 3.038 -2.613 10.729 1.00 70.20 H new ATOM 0 HD3 ARG A 73 4.387 -2.029 9.774 1.00 70.20 H new ATOM 0 HE ARG A 73 4.448 -0.050 11.410 1.00 63.44 H new ATOM 0 HH11 ARG A 73 3.205 -3.238 12.376 1.00 32.41 H new ATOM 0 HH12 ARG A 73 3.600 -2.991 14.080 1.00 32.41 H new ATOM 0 HH21 ARG A 73 4.940 0.235 13.584 1.00 72.22 H new ATOM 0 HH22 ARG A 73 4.578 -1.033 14.760 1.00 72.22 H new ATOM 1242 N VAL A 74 -0.116 1.318 8.193 1.00 14.33 N ATOM 1243 CA VAL A 74 -1.454 1.668 8.681 1.00 40.11 C ATOM 1244 C VAL A 74 -2.200 0.391 9.113 1.00 15.52 C ATOM 1245 O VAL A 74 -2.064 -0.648 8.484 1.00 12.15 O ATOM 1246 CB VAL A 74 -2.226 2.447 7.549 1.00 50.31 C ATOM 1247 CG1 VAL A 74 -3.733 2.562 7.841 1.00 31.11 C ATOM 1248 CG2 VAL A 74 -1.593 3.851 7.323 1.00 11.33 C ATOM 0 H VAL A 74 -0.133 0.797 7.316 1.00 14.33 H new ATOM 0 HA VAL A 74 -1.384 2.317 9.554 1.00 40.11 H new ATOM 0 HB VAL A 74 -2.127 1.867 6.632 1.00 50.31 H new ATOM 0 HG11 VAL A 74 -4.220 3.107 7.032 1.00 31.11 H new ATOM 0 HG12 VAL A 74 -4.166 1.565 7.919 1.00 31.11 H new ATOM 0 HG13 VAL A 74 -3.882 3.096 8.779 1.00 31.11 H new ATOM 0 HG21 VAL A 74 -2.139 4.374 6.538 1.00 11.33 H new ATOM 0 HG22 VAL A 74 -1.645 4.427 8.247 1.00 11.33 H new ATOM 0 HG23 VAL A 74 -0.551 3.737 7.025 1.00 11.33 H new ATOM 1258 N THR A 75 -2.926 0.461 10.241 1.00 73.35 N ATOM 1259 CA THR A 75 -3.814 -0.629 10.711 1.00 71.04 C ATOM 1260 C THR A 75 -5.250 -0.112 10.915 1.00 23.45 C ATOM 1261 O THR A 75 -6.193 -0.904 11.065 1.00 2.34 O ATOM 1262 CB THR A 75 -3.275 -1.261 12.037 1.00 73.32 C ATOM 1263 OG1 THR A 75 -3.105 -0.235 13.040 1.00 21.31 O ATOM 1264 CG2 THR A 75 -1.938 -2.005 11.821 1.00 24.53 C ATOM 0 H THR A 75 -2.918 1.274 10.857 1.00 73.35 H new ATOM 0 HA THR A 75 -3.827 -1.402 9.943 1.00 71.04 H new ATOM 0 HB THR A 75 -4.011 -1.990 12.375 1.00 73.32 H new ATOM 0 HG1 THR A 75 -2.769 -0.639 13.867 1.00 21.31 H new ATOM 0 HG21 THR A 75 -1.600 -2.428 12.767 1.00 24.53 H new ATOM 0 HG22 THR A 75 -2.080 -2.806 11.095 1.00 24.53 H new ATOM 0 HG23 THR A 75 -1.189 -1.306 11.448 1.00 24.53 H new ATOM 1272 N SER A 76 -5.414 1.218 10.899 1.00 40.14 N ATOM 1273 CA SER A 76 -6.716 1.875 11.037 1.00 24.20 C ATOM 1274 C SER A 76 -6.871 2.906 9.921 1.00 23.31 C ATOM 1275 O SER A 76 -5.939 3.673 9.645 1.00 74.12 O ATOM 1276 CB SER A 76 -6.830 2.569 12.410 1.00 15.34 C ATOM 1277 OG SER A 76 -8.088 3.205 12.548 1.00 42.12 O ATOM 0 H SER A 76 -4.639 1.871 10.789 1.00 40.14 H new ATOM 0 HA SER A 76 -7.505 1.127 10.965 1.00 24.20 H new ATOM 0 HB2 SER A 76 -6.699 1.835 13.206 1.00 15.34 H new ATOM 0 HB3 SER A 76 -6.032 3.303 12.519 1.00 15.34 H new ATOM 0 HG SER A 76 -8.010 4.145 12.282 1.00 42.12 H new ATOM 1283 N ASN A 77 -8.086 2.961 9.343 1.00 41.51 N ATOM 1284 CA ASN A 77 -8.408 3.782 8.153 1.00 4.24 C ATOM 1285 C ASN A 77 -8.145 5.288 8.380 1.00 51.53 C ATOM 1286 O ASN A 77 -7.916 6.010 7.421 1.00 30.54 O ATOM 1287 CB ASN A 77 -9.884 3.556 7.709 1.00 1.14 C ATOM 1288 CG ASN A 77 -10.956 4.129 8.661 1.00 21.22 C ATOM 1289 OD1 ASN A 77 -12.000 4.616 8.212 1.00 54.01 O ATOM 1290 ND2 ASN A 77 -10.742 4.046 9.973 1.00 1.31 N ATOM 0 H ASN A 77 -8.884 2.431 9.692 1.00 41.51 H new ATOM 0 HA ASN A 77 -7.739 3.453 7.358 1.00 4.24 H new ATOM 0 HB2 ASN A 77 -10.022 4.001 6.724 1.00 1.14 H new ATOM 0 HB3 ASN A 77 -10.053 2.485 7.601 1.00 1.14 H new ATOM 0 HD21 ASN A 77 -11.446 4.388 10.627 1.00 1.31 H new ATOM 0 HD22 ASN A 77 -9.874 3.641 10.324 1.00 1.31 H new ATOM 1297 N ASP A 78 -8.168 5.729 9.663 1.00 51.55 N ATOM 1298 CA ASP A 78 -7.922 7.137 10.061 1.00 41.34 C ATOM 1299 C ASP A 78 -6.524 7.612 9.619 1.00 54.50 C ATOM 1300 O ASP A 78 -6.375 8.706 9.063 1.00 34.15 O ATOM 1301 CB ASP A 78 -8.069 7.295 11.602 1.00 42.03 C ATOM 1302 CG ASP A 78 -9.482 6.951 12.106 1.00 12.45 C ATOM 1303 OD1 ASP A 78 -9.772 5.751 12.313 1.00 64.12 O ATOM 1304 OD2 ASP A 78 -10.307 7.876 12.289 1.00 53.11 O ATOM 0 H ASP A 78 -8.359 5.114 10.454 1.00 51.55 H new ATOM 0 HA ASP A 78 -8.666 7.757 9.560 1.00 41.34 H new ATOM 0 HB2 ASP A 78 -7.344 6.650 12.099 1.00 42.03 H new ATOM 0 HB3 ASP A 78 -7.828 8.321 11.882 1.00 42.03 H new ATOM 1309 N GLU A 79 -5.520 6.741 9.863 1.00 34.43 N ATOM 1310 CA GLU A 79 -4.095 6.992 9.537 1.00 33.21 C ATOM 1311 C GLU A 79 -3.912 7.123 8.017 1.00 71.12 C ATOM 1312 O GLU A 79 -3.190 8.003 7.521 1.00 4.11 O ATOM 1313 CB GLU A 79 -3.226 5.822 10.064 1.00 32.24 C ATOM 1314 CG GLU A 79 -3.450 5.481 11.543 1.00 35.42 C ATOM 1315 CD GLU A 79 -2.685 4.223 11.963 1.00 23.12 C ATOM 1316 OE1 GLU A 79 -1.512 4.343 12.391 1.00 61.40 O ATOM 1317 OE2 GLU A 79 -3.233 3.109 11.826 1.00 71.13 O ATOM 0 H GLU A 79 -5.677 5.832 10.297 1.00 34.43 H new ATOM 0 HA GLU A 79 -3.784 7.922 10.013 1.00 33.21 H new ATOM 0 HB2 GLU A 79 -3.431 4.935 9.464 1.00 32.24 H new ATOM 0 HB3 GLU A 79 -2.175 6.071 9.916 1.00 32.24 H new ATOM 0 HG2 GLU A 79 -3.133 6.321 12.161 1.00 35.42 H new ATOM 0 HG3 GLU A 79 -4.515 5.335 11.724 1.00 35.42 H new ATOM 1324 N LEU A 80 -4.615 6.226 7.304 1.00 75.34 N ATOM 1325 CA LEU A 80 -4.653 6.174 5.839 1.00 62.40 C ATOM 1326 C LEU A 80 -5.183 7.516 5.293 1.00 51.44 C ATOM 1327 O LEU A 80 -4.536 8.131 4.450 1.00 74.11 O ATOM 1328 CB LEU A 80 -5.526 4.941 5.412 1.00 44.43 C ATOM 1329 CG LEU A 80 -5.688 4.600 3.880 1.00 44.23 C ATOM 1330 CD1 LEU A 80 -6.901 5.294 3.248 1.00 73.44 C ATOM 1331 CD2 LEU A 80 -4.398 4.904 3.086 1.00 22.10 C ATOM 0 H LEU A 80 -5.184 5.503 7.744 1.00 75.34 H new ATOM 0 HA LEU A 80 -3.658 6.037 5.414 1.00 62.40 H new ATOM 0 HB2 LEU A 80 -5.109 4.060 5.901 1.00 44.43 H new ATOM 0 HB3 LEU A 80 -6.525 5.090 5.821 1.00 44.43 H new ATOM 0 HG LEU A 80 -5.870 3.527 3.824 1.00 44.23 H new ATOM 0 HD11 LEU A 80 -6.966 5.025 2.194 1.00 73.44 H new ATOM 0 HD12 LEU A 80 -7.809 4.976 3.760 1.00 73.44 H new ATOM 0 HD13 LEU A 80 -6.791 6.374 3.341 1.00 73.44 H new ATOM 0 HD21 LEU A 80 -4.550 4.656 2.036 1.00 22.10 H new ATOM 0 HD22 LEU A 80 -4.156 5.963 3.177 1.00 22.10 H new ATOM 0 HD23 LEU A 80 -3.577 4.308 3.484 1.00 22.10 H new ATOM 1343 N GLU A 81 -6.311 7.989 5.868 1.00 42.22 N ATOM 1344 CA GLU A 81 -6.972 9.250 5.464 1.00 72.44 C ATOM 1345 C GLU A 81 -6.047 10.467 5.652 1.00 35.21 C ATOM 1346 O GLU A 81 -6.134 11.426 4.884 1.00 14.33 O ATOM 1347 CB GLU A 81 -8.275 9.435 6.275 1.00 13.13 C ATOM 1348 CG GLU A 81 -9.342 8.370 5.988 1.00 72.14 C ATOM 1349 CD GLU A 81 -10.578 8.476 6.897 1.00 53.45 C ATOM 1350 OE1 GLU A 81 -10.515 8.030 8.057 1.00 21.52 O ATOM 1351 OE2 GLU A 81 -11.632 8.987 6.444 1.00 34.44 O ATOM 0 H GLU A 81 -6.790 7.505 6.628 1.00 42.22 H new ATOM 0 HA GLU A 81 -7.208 9.183 4.402 1.00 72.44 H new ATOM 0 HB2 GLU A 81 -8.035 9.418 7.338 1.00 13.13 H new ATOM 0 HB3 GLU A 81 -8.690 10.419 6.058 1.00 13.13 H new ATOM 0 HG2 GLU A 81 -9.658 8.455 4.948 1.00 72.14 H new ATOM 0 HG3 GLU A 81 -8.898 7.382 6.106 1.00 72.14 H new ATOM 1358 N GLN A 82 -5.176 10.410 6.688 1.00 3.20 N ATOM 1359 CA GLN A 82 -4.161 11.451 6.950 1.00 20.53 C ATOM 1360 C GLN A 82 -3.163 11.536 5.780 1.00 44.24 C ATOM 1361 O GLN A 82 -2.893 12.630 5.262 1.00 71.00 O ATOM 1362 CB GLN A 82 -3.400 11.170 8.283 1.00 24.15 C ATOM 1363 CG GLN A 82 -4.280 11.207 9.550 1.00 34.12 C ATOM 1364 CD GLN A 82 -4.832 12.601 9.863 1.00 22.02 C ATOM 1365 OE1 GLN A 82 -4.200 13.390 10.568 1.00 0.10 O ATOM 1366 NE2 GLN A 82 -6.016 12.917 9.354 1.00 2.11 N ATOM 0 H GLN A 82 -5.159 9.644 7.361 1.00 3.20 H new ATOM 0 HA GLN A 82 -4.678 12.406 7.045 1.00 20.53 H new ATOM 0 HB2 GLN A 82 -2.926 10.191 8.215 1.00 24.15 H new ATOM 0 HB3 GLN A 82 -2.601 11.904 8.391 1.00 24.15 H new ATOM 0 HG2 GLN A 82 -5.112 10.514 9.427 1.00 34.12 H new ATOM 0 HG3 GLN A 82 -3.696 10.856 10.400 1.00 34.12 H new ATOM 0 HE21 GLN A 82 -6.518 12.245 8.774 1.00 2.11 H new ATOM 0 HE22 GLN A 82 -6.425 13.832 9.543 1.00 2.11 H new ATOM 1375 N VAL A 83 -2.644 10.360 5.363 1.00 63.04 N ATOM 1376 CA VAL A 83 -1.656 10.257 4.260 1.00 72.42 C ATOM 1377 C VAL A 83 -2.296 10.648 2.900 1.00 5.04 C ATOM 1378 O VAL A 83 -1.634 11.266 2.047 1.00 42.53 O ATOM 1379 CB VAL A 83 -1.020 8.812 4.179 1.00 63.33 C ATOM 1380 CG1 VAL A 83 0.119 8.755 3.124 1.00 34.34 C ATOM 1381 CG2 VAL A 83 -0.509 8.350 5.573 1.00 75.22 C ATOM 0 H VAL A 83 -2.894 9.461 5.776 1.00 63.04 H new ATOM 0 HA VAL A 83 -0.853 10.962 4.478 1.00 72.42 H new ATOM 0 HB VAL A 83 -1.803 8.123 3.860 1.00 63.33 H new ATOM 0 HG11 VAL A 83 0.536 7.748 3.093 1.00 34.34 H new ATOM 0 HG12 VAL A 83 -0.280 9.013 2.143 1.00 34.34 H new ATOM 0 HG13 VAL A 83 0.902 9.463 3.395 1.00 34.34 H new ATOM 0 HG21 VAL A 83 -0.076 7.353 5.490 1.00 75.22 H new ATOM 0 HG22 VAL A 83 0.249 9.046 5.932 1.00 75.22 H new ATOM 0 HG23 VAL A 83 -1.341 8.327 6.276 1.00 75.22 H new ATOM 1391 N VAL A 84 -3.599 10.310 2.731 1.00 11.22 N ATOM 1392 CA VAL A 84 -4.353 10.590 1.488 1.00 53.42 C ATOM 1393 C VAL A 84 -4.600 12.111 1.307 1.00 65.05 C ATOM 1394 O VAL A 84 -4.624 12.602 0.176 1.00 30.44 O ATOM 1395 CB VAL A 84 -5.708 9.782 1.394 1.00 14.33 C ATOM 1396 CG1 VAL A 84 -6.476 10.118 0.091 1.00 61.42 C ATOM 1397 CG2 VAL A 84 -5.455 8.260 1.465 1.00 4.12 C ATOM 0 H VAL A 84 -4.151 9.839 3.448 1.00 11.22 H new ATOM 0 HA VAL A 84 -3.725 10.244 0.667 1.00 53.42 H new ATOM 0 HB VAL A 84 -6.317 10.080 2.247 1.00 14.33 H new ATOM 0 HG11 VAL A 84 -7.403 9.546 0.057 1.00 61.42 H new ATOM 0 HG12 VAL A 84 -6.706 11.183 0.069 1.00 61.42 H new ATOM 0 HG13 VAL A 84 -5.860 9.862 -0.771 1.00 61.42 H new ATOM 0 HG21 VAL A 84 -6.405 7.730 1.398 1.00 4.12 H new ATOM 0 HG22 VAL A 84 -4.812 7.959 0.638 1.00 4.12 H new ATOM 0 HG23 VAL A 84 -4.969 8.016 2.410 1.00 4.12 H new ATOM 1407 N LYS A 85 -4.749 12.851 2.413 1.00 13.42 N ATOM 1408 CA LYS A 85 -4.900 14.326 2.355 1.00 53.00 C ATOM 1409 C LYS A 85 -3.653 14.997 1.750 1.00 24.12 C ATOM 1410 O LYS A 85 -3.772 15.890 0.904 1.00 50.52 O ATOM 1411 CB LYS A 85 -5.183 14.894 3.764 1.00 72.44 C ATOM 1412 CG LYS A 85 -6.593 14.559 4.279 1.00 12.34 C ATOM 1413 CD LYS A 85 -6.809 14.923 5.758 1.00 52.44 C ATOM 1414 CE LYS A 85 -8.228 14.573 6.221 1.00 33.11 C ATOM 1415 NZ LYS A 85 -8.565 13.145 5.961 1.00 23.01 N ATOM 0 H LYS A 85 -4.769 12.464 3.356 1.00 13.42 H new ATOM 0 HA LYS A 85 -5.747 14.548 1.706 1.00 53.00 H new ATOM 0 HB2 LYS A 85 -4.445 14.500 4.463 1.00 72.44 H new ATOM 0 HB3 LYS A 85 -5.058 15.977 3.744 1.00 72.44 H new ATOM 0 HG2 LYS A 85 -7.328 15.088 3.672 1.00 12.34 H new ATOM 0 HG3 LYS A 85 -6.776 13.493 4.145 1.00 12.34 H new ATOM 0 HD2 LYS A 85 -6.083 14.393 6.374 1.00 52.44 H new ATOM 0 HD3 LYS A 85 -6.631 15.989 5.901 1.00 52.44 H new ATOM 0 HE2 LYS A 85 -8.322 14.779 7.287 1.00 33.11 H new ATOM 0 HE3 LYS A 85 -8.945 15.214 5.708 1.00 33.11 H new ATOM 0 HZ1 LYS A 85 -9.071 12.753 6.781 1.00 23.01 H new ATOM 0 HZ2 LYS A 85 -9.169 13.079 5.117 1.00 23.01 H new ATOM 0 HZ3 LYS A 85 -7.690 12.605 5.804 1.00 23.01 H new ATOM 1429 N ASP A 86 -2.470 14.515 2.169 1.00 72.25 N ATOM 1430 CA ASP A 86 -1.179 15.106 1.782 1.00 32.51 C ATOM 1431 C ASP A 86 -0.870 14.839 0.292 1.00 33.55 C ATOM 1432 O ASP A 86 -0.326 15.714 -0.393 1.00 60.32 O ATOM 1433 CB ASP A 86 -0.039 14.582 2.695 1.00 75.21 C ATOM 1434 CG ASP A 86 1.301 15.313 2.449 1.00 42.32 C ATOM 1435 OD1 ASP A 86 1.449 16.469 2.912 1.00 60.21 O ATOM 1436 OD2 ASP A 86 2.201 14.737 1.796 1.00 64.13 O ATOM 0 H ASP A 86 -2.383 13.706 2.784 1.00 72.25 H new ATOM 0 HA ASP A 86 -1.247 16.186 1.916 1.00 32.51 H new ATOM 0 HB2 ASP A 86 -0.329 14.704 3.739 1.00 75.21 H new ATOM 0 HB3 ASP A 86 0.097 13.514 2.524 1.00 75.21 H new ATOM 1441 N VAL A 87 -1.241 13.639 -0.215 1.00 30.31 N ATOM 1442 CA VAL A 87 -1.056 13.302 -1.648 1.00 64.44 C ATOM 1443 C VAL A 87 -2.043 14.095 -2.537 1.00 52.43 C ATOM 1444 O VAL A 87 -1.641 14.635 -3.574 1.00 11.12 O ATOM 1445 CB VAL A 87 -1.137 11.745 -1.958 1.00 65.43 C ATOM 1446 CG1 VAL A 87 -2.397 11.089 -1.385 1.00 72.34 C ATOM 1447 CG2 VAL A 87 -1.046 11.468 -3.477 1.00 25.11 C ATOM 0 H VAL A 87 -1.665 12.895 0.339 1.00 30.31 H new ATOM 0 HA VAL A 87 -0.037 13.602 -1.894 1.00 64.44 H new ATOM 0 HB VAL A 87 -0.277 11.296 -1.460 1.00 65.43 H new ATOM 0 HG11 VAL A 87 -2.397 10.027 -1.628 1.00 72.34 H new ATOM 0 HG12 VAL A 87 -2.412 11.213 -0.302 1.00 72.34 H new ATOM 0 HG13 VAL A 87 -3.280 11.560 -1.816 1.00 72.34 H new ATOM 0 HG21 VAL A 87 -1.104 10.394 -3.655 1.00 25.11 H new ATOM 0 HG22 VAL A 87 -1.870 11.966 -3.988 1.00 25.11 H new ATOM 0 HG23 VAL A 87 -0.099 11.848 -3.860 1.00 25.11 H new ATOM 1457 N LYS A 88 -3.320 14.195 -2.106 1.00 31.42 N ATOM 1458 CA LYS A 88 -4.354 14.975 -2.833 1.00 44.35 C ATOM 1459 C LYS A 88 -4.014 16.483 -2.858 1.00 75.44 C ATOM 1460 O LYS A 88 -4.501 17.222 -3.724 1.00 55.11 O ATOM 1461 CB LYS A 88 -5.751 14.744 -2.202 1.00 23.21 C ATOM 1462 CG LYS A 88 -6.323 13.319 -2.415 1.00 21.04 C ATOM 1463 CD LYS A 88 -7.666 13.056 -1.669 1.00 4.04 C ATOM 1464 CE LYS A 88 -8.891 13.796 -2.253 1.00 1.04 C ATOM 1465 NZ LYS A 88 -8.863 15.267 -2.044 1.00 73.23 N ATOM 0 H LYS A 88 -3.663 13.745 -1.257 1.00 31.42 H new ATOM 0 HA LYS A 88 -4.371 14.622 -3.864 1.00 44.35 H new ATOM 0 HB2 LYS A 88 -5.690 14.941 -1.132 1.00 23.21 H new ATOM 0 HB3 LYS A 88 -6.449 15.469 -2.620 1.00 23.21 H new ATOM 0 HG2 LYS A 88 -6.474 13.155 -3.482 1.00 21.04 H new ATOM 0 HG3 LYS A 88 -5.585 12.589 -2.082 1.00 21.04 H new ATOM 0 HD2 LYS A 88 -7.867 11.985 -1.681 1.00 4.04 H new ATOM 0 HD3 LYS A 88 -7.548 13.347 -0.625 1.00 4.04 H new ATOM 0 HE2 LYS A 88 -8.950 13.592 -3.322 1.00 1.04 H new ATOM 0 HE3 LYS A 88 -9.797 13.392 -1.801 1.00 1.04 H new ATOM 0 HZ1 LYS A 88 -9.815 15.600 -1.789 1.00 73.23 H new ATOM 0 HZ2 LYS A 88 -8.199 15.496 -1.277 1.00 73.23 H new ATOM 0 HZ3 LYS A 88 -8.556 15.736 -2.920 1.00 73.23 H new ATOM 1479 N GLY A 89 -3.190 16.923 -1.899 1.00 1.12 N ATOM 1480 CA GLY A 89 -2.696 18.296 -1.860 1.00 65.40 C ATOM 1481 C GLY A 89 -1.862 18.540 -0.621 1.00 43.31 C ATOM 1482 O GLY A 89 -2.371 18.423 0.496 1.00 74.34 O ATOM 0 H GLY A 89 -2.851 16.338 -1.135 1.00 1.12 H new ATOM 0 HA2 GLY A 89 -2.099 18.496 -2.749 1.00 65.40 H new ATOM 0 HA3 GLY A 89 -3.537 18.989 -1.878 1.00 65.40 H new ATOM 1486 N SER A 90 -0.571 18.862 -0.800 1.00 60.12 N ATOM 1487 CA SER A 90 0.363 19.056 0.320 1.00 21.00 C ATOM 1488 C SER A 90 0.284 20.504 0.855 1.00 54.41 C ATOM 1489 O SER A 90 1.264 21.269 0.796 1.00 13.42 O ATOM 1490 CB SER A 90 1.796 18.665 -0.111 1.00 60.32 C ATOM 1491 OG SER A 90 2.686 18.658 0.994 1.00 24.24 O ATOM 0 H SER A 90 -0.148 18.994 -1.719 1.00 60.12 H new ATOM 0 HA SER A 90 0.078 18.401 1.143 1.00 21.00 H new ATOM 0 HB2 SER A 90 1.782 17.679 -0.575 1.00 60.32 H new ATOM 0 HB3 SER A 90 2.155 19.366 -0.865 1.00 60.32 H new ATOM 0 HG SER A 90 2.391 17.990 1.648 1.00 24.24 H new ATOM 1497 N GLY A 91 -0.915 20.875 1.349 1.00 42.42 N ATOM 1498 CA GLY A 91 -1.129 22.163 2.011 1.00 53.35 C ATOM 1499 C GLY A 91 -0.525 22.198 3.414 1.00 44.15 C ATOM 1500 O GLY A 91 -0.242 23.278 3.945 1.00 21.15 O ATOM 0 H GLY A 91 -1.750 20.291 1.298 1.00 42.42 H new ATOM 0 HA2 GLY A 91 -0.689 22.957 1.408 1.00 53.35 H new ATOM 0 HA3 GLY A 91 -2.198 22.365 2.072 1.00 53.35 H new ATOM 1504 N LEU A 92 -0.312 20.995 3.996 1.00 42.52 N ATOM 1505 CA LEU A 92 0.313 20.816 5.316 1.00 2.24 C ATOM 1506 C LEU A 92 1.803 21.207 5.269 1.00 20.42 C ATOM 1507 O LEU A 92 2.405 21.247 4.183 1.00 74.34 O ATOM 1508 CB LEU A 92 0.184 19.337 5.815 1.00 24.25 C ATOM 1509 CG LEU A 92 -1.264 18.806 6.101 1.00 4.41 C ATOM 1510 CD1 LEU A 92 -2.054 19.774 7.019 1.00 2.14 C ATOM 1511 CD2 LEU A 92 -2.041 18.472 4.799 1.00 44.43 C ATOM 0 H LEU A 92 -0.574 20.115 3.552 1.00 42.52 H new ATOM 0 HA LEU A 92 -0.213 21.468 6.013 1.00 2.24 H new ATOM 0 HB2 LEU A 92 0.642 18.687 5.070 1.00 24.25 H new ATOM 0 HB3 LEU A 92 0.769 19.236 6.729 1.00 24.25 H new ATOM 0 HG LEU A 92 -1.155 17.865 6.641 1.00 4.41 H new ATOM 0 HD11 LEU A 92 -3.052 19.374 7.196 1.00 2.14 H new ATOM 0 HD12 LEU A 92 -1.532 19.881 7.970 1.00 2.14 H new ATOM 0 HD13 LEU A 92 -2.133 20.749 6.537 1.00 2.14 H new ATOM 0 HD21 LEU A 92 -3.037 18.109 5.053 1.00 44.43 H new ATOM 0 HD22 LEU A 92 -2.127 19.369 4.186 1.00 44.43 H new ATOM 0 HD23 LEU A 92 -1.505 17.703 4.243 1.00 44.43 H new ATOM 1523 N GLU A 93 2.367 21.484 6.468 1.00 53.43 N ATOM 1524 CA GLU A 93 3.796 21.796 6.677 1.00 65.53 C ATOM 1525 C GLU A 93 4.163 23.177 6.083 1.00 34.12 C ATOM 1526 O GLU A 93 4.187 23.356 4.862 1.00 72.03 O ATOM 1527 CB GLU A 93 4.722 20.679 6.105 1.00 24.41 C ATOM 1528 CG GLU A 93 6.224 20.871 6.389 1.00 4.33 C ATOM 1529 CD GLU A 93 7.102 19.878 5.617 1.00 55.43 C ATOM 1530 OE1 GLU A 93 7.380 18.778 6.132 1.00 11.23 O ATOM 1531 OE2 GLU A 93 7.495 20.193 4.475 1.00 71.25 O ATOM 0 H GLU A 93 1.828 21.496 7.334 1.00 53.43 H new ATOM 0 HA GLU A 93 3.960 21.838 7.754 1.00 65.53 H new ATOM 0 HB2 GLU A 93 4.409 19.721 6.519 1.00 24.41 H new ATOM 0 HB3 GLU A 93 4.576 20.623 5.026 1.00 24.41 H new ATOM 0 HG2 GLU A 93 6.513 21.888 6.124 1.00 4.33 H new ATOM 0 HG3 GLU A 93 6.406 20.756 7.458 1.00 4.33 H new ATOM 1538 N HIS A 94 4.451 24.149 6.961 1.00 43.54 N ATOM 1539 CA HIS A 94 4.847 25.528 6.573 1.00 61.30 C ATOM 1540 C HIS A 94 6.350 25.743 6.844 1.00 12.54 C ATOM 1541 O HIS A 94 6.796 26.871 7.070 1.00 64.13 O ATOM 1542 CB HIS A 94 3.993 26.568 7.357 1.00 70.15 C ATOM 1543 CG HIS A 94 2.503 26.436 7.167 1.00 20.32 C ATOM 1544 ND1 HIS A 94 1.587 26.840 8.117 1.00 51.30 N ATOM 1545 CD2 HIS A 94 1.766 25.969 6.127 1.00 64.32 C ATOM 1546 CE1 HIS A 94 0.366 26.628 7.670 1.00 55.30 C ATOM 1547 NE2 HIS A 94 0.451 26.103 6.469 1.00 72.21 N ATOM 0 H HIS A 94 4.418 24.008 7.971 1.00 43.54 H new ATOM 0 HA HIS A 94 4.666 25.665 5.507 1.00 61.30 H new ATOM 0 HB2 HIS A 94 4.219 26.476 8.419 1.00 70.15 H new ATOM 0 HB3 HIS A 94 4.296 27.570 7.052 1.00 70.15 H new ATOM 0 HD2 HIS A 94 2.149 25.566 5.201 1.00 64.32 H new ATOM 0 HE1 HIS A 94 -0.549 26.848 8.200 1.00 55.30 H new ATOM 0 HE2 HIS A 94 -0.341 25.837 5.884 1.00 72.21 H new ATOM 1556 N HIS A 95 7.127 24.641 6.769 1.00 74.40 N ATOM 1557 CA HIS A 95 8.570 24.640 7.079 1.00 35.21 C ATOM 1558 C HIS A 95 9.377 25.438 6.031 1.00 64.42 C ATOM 1559 O HIS A 95 10.455 25.960 6.321 1.00 0.42 O ATOM 1560 CB HIS A 95 9.072 23.173 7.176 1.00 72.34 C ATOM 1561 CG HIS A 95 10.490 23.023 7.665 1.00 63.00 C ATOM 1562 ND1 HIS A 95 10.829 23.084 9.003 1.00 64.51 N ATOM 1563 CD2 HIS A 95 11.654 22.813 7.002 1.00 34.33 C ATOM 1564 CE1 HIS A 95 12.128 22.926 9.133 1.00 51.14 C ATOM 1565 NE2 HIS A 95 12.648 22.757 7.936 1.00 74.11 N ATOM 0 H HIS A 95 6.769 23.727 6.491 1.00 74.40 H new ATOM 0 HA HIS A 95 8.723 25.136 8.038 1.00 35.21 H new ATOM 0 HB2 HIS A 95 8.411 22.621 7.844 1.00 72.34 H new ATOM 0 HB3 HIS A 95 8.990 22.710 6.193 1.00 72.34 H new ATOM 0 HD2 HIS A 95 11.773 22.709 5.934 1.00 34.33 H new ATOM 0 HE1 HIS A 95 12.675 22.934 10.064 1.00 51.14 H new ATOM 0 HE2 HIS A 95 13.637 22.608 7.737 1.00 74.11 H new ATOM 1574 N HIS A 96 8.830 25.526 4.816 1.00 2.01 N ATOM 1575 CA HIS A 96 9.449 26.223 3.675 1.00 62.35 C ATOM 1576 C HIS A 96 8.569 27.418 3.254 1.00 52.30 C ATOM 1577 O HIS A 96 7.358 27.432 3.534 1.00 41.01 O ATOM 1578 CB HIS A 96 9.627 25.220 2.504 1.00 23.53 C ATOM 1579 CG HIS A 96 10.283 25.781 1.266 1.00 12.30 C ATOM 1580 ND1 HIS A 96 9.584 26.095 0.123 1.00 21.33 N ATOM 1581 CD2 HIS A 96 11.573 26.099 1.005 1.00 23.23 C ATOM 1582 CE1 HIS A 96 10.411 26.568 -0.781 1.00 22.15 C ATOM 1583 NE2 HIS A 96 11.621 26.577 -0.270 1.00 12.52 N ATOM 0 H HIS A 96 7.928 25.108 4.589 1.00 2.01 H new ATOM 0 HA HIS A 96 10.429 26.608 3.958 1.00 62.35 H new ATOM 0 HB2 HIS A 96 10.219 24.376 2.858 1.00 23.53 H new ATOM 0 HB3 HIS A 96 8.647 24.829 2.230 1.00 23.53 H new ATOM 0 HD2 HIS A 96 12.408 25.993 1.681 1.00 23.23 H new ATOM 0 HE1 HIS A 96 10.142 26.894 -1.775 1.00 22.15 H new ATOM 0 HE2 HIS A 96 12.463 26.892 -0.751 1.00 12.52 H new ATOM 1592 N HIS A 97 9.197 28.418 2.592 1.00 24.33 N ATOM 1593 CA HIS A 97 8.498 29.576 2.003 1.00 12.00 C ATOM 1594 C HIS A 97 7.493 29.109 0.927 1.00 1.34 C ATOM 1595 O HIS A 97 7.844 28.345 0.022 1.00 11.20 O ATOM 1596 CB HIS A 97 9.506 30.591 1.391 1.00 23.14 C ATOM 1597 CG HIS A 97 10.323 31.336 2.409 1.00 24.34 C ATOM 1598 ND1 HIS A 97 11.632 31.029 2.703 1.00 73.14 N ATOM 1599 CD2 HIS A 97 10.005 32.387 3.197 1.00 25.20 C ATOM 1600 CE1 HIS A 97 12.081 31.856 3.619 1.00 12.55 C ATOM 1601 NE2 HIS A 97 11.114 32.687 3.937 1.00 52.44 N ATOM 0 H HIS A 97 10.207 28.441 2.453 1.00 24.33 H new ATOM 0 HA HIS A 97 7.953 30.079 2.802 1.00 12.00 H new ATOM 0 HB2 HIS A 97 10.180 30.058 0.720 1.00 23.14 H new ATOM 0 HB3 HIS A 97 8.957 31.311 0.785 1.00 23.14 H new ATOM 0 HD2 HIS A 97 9.053 32.895 3.235 1.00 25.20 H new ATOM 0 HE1 HIS A 97 13.076 31.854 4.039 1.00 12.55 H new ATOM 0 HE2 HIS A 97 11.181 33.436 4.626 1.00 52.44 H new ATOM 1610 N HIS A 98 6.257 29.587 1.057 1.00 42.04 N ATOM 1611 CA HIS A 98 5.124 29.223 0.182 1.00 11.23 C ATOM 1612 C HIS A 98 4.463 30.497 -0.361 1.00 72.45 C ATOM 1613 O HIS A 98 4.844 31.612 0.023 1.00 32.44 O ATOM 1614 CB HIS A 98 4.102 28.359 0.980 1.00 10.11 C ATOM 1615 CG HIS A 98 3.582 29.031 2.232 1.00 75.21 C ATOM 1616 ND1 HIS A 98 2.508 29.900 2.237 1.00 73.32 N ATOM 1617 CD2 HIS A 98 4.013 28.976 3.519 1.00 0.55 C ATOM 1618 CE1 HIS A 98 2.310 30.347 3.460 1.00 52.30 C ATOM 1619 NE2 HIS A 98 3.207 29.802 4.258 1.00 33.13 N ATOM 0 H HIS A 98 6.001 30.253 1.786 1.00 42.04 H new ATOM 0 HA HIS A 98 5.484 28.635 -0.663 1.00 11.23 H new ATOM 0 HB2 HIS A 98 3.260 28.118 0.332 1.00 10.11 H new ATOM 0 HB3 HIS A 98 4.574 27.415 1.254 1.00 10.11 H new ATOM 0 HD2 HIS A 98 4.839 28.389 3.892 1.00 0.55 H new ATOM 0 HE1 HIS A 98 1.541 31.044 3.759 1.00 52.30 H new ATOM 0 HE2 HIS A 98 3.288 29.968 5.261 1.00 33.13 H new ATOM 1628 N HIS A 99 3.497 30.317 -1.273 1.00 23.12 N ATOM 1629 CA HIS A 99 2.668 31.402 -1.809 1.00 65.44 C ATOM 1630 C HIS A 99 1.551 31.732 -0.777 1.00 0.21 C ATOM 1631 O HIS A 99 0.546 30.997 -0.711 1.00 32.45 O ATOM 1632 CB HIS A 99 2.109 30.987 -3.208 1.00 52.53 C ATOM 1633 CG HIS A 99 1.352 32.073 -3.932 1.00 35.14 C ATOM 1634 ND1 HIS A 99 1.943 32.918 -4.852 1.00 53.50 N ATOM 1635 CD2 HIS A 99 0.049 32.437 -3.892 1.00 53.01 C ATOM 1636 CE1 HIS A 99 1.034 33.743 -5.329 1.00 2.14 C ATOM 1637 NE2 HIS A 99 -0.123 33.469 -4.769 1.00 63.32 N ATOM 1638 OXT HIS A 99 1.704 32.699 -0.005 1.00 37.98 O ATOM 0 H HIS A 99 3.268 29.403 -1.663 1.00 23.12 H new ATOM 0 HA HIS A 99 3.252 32.310 -1.962 1.00 65.44 H new ATOM 0 HB2 HIS A 99 2.940 30.663 -3.834 1.00 52.53 H new ATOM 0 HB3 HIS A 99 1.451 30.127 -3.081 1.00 52.53 H new ATOM 0 HD2 HIS A 99 -0.718 31.991 -3.276 1.00 53.01 H new ATOM 0 HE1 HIS A 99 1.210 34.518 -6.060 1.00 2.14 H new ATOM 0 HE2 HIS A 99 -1.003 33.948 -4.958 1.00 63.32 H new TER 1647 HIS A 99