USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 932 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 70 GLN :FLIP amide:sc= 0 F(o=-0.68,f=-0.15) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Set 2.1: A 43 HIS :FLIP no HD1:sc= -0.0744 F(o=-1.4,f=-0.68) USER MOD Set 2.2: A 47 CYS SG : rot 117:sc= -0.605 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 177:sc= 1.26 USER MOD Single : A 12 SER OG : rot 79:sc= 0.012 USER MOD Single : A 14 CYS SG : rot 75:sc= 0.779 USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0436) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.73) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.82! X(o=-1.8!,f=-2.2) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.374 USER MOD Single : A 46 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.43) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 56 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 58 CYS SG : rot 140:sc= -0.0027 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -104:sc= 0.00213 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.983 K(o=0.98,f=-0.42) USER MOD Single : A 67 GLN : amide:sc= -0.776 X(o=-0.78,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -165:sc= -0.162 (180deg=-0.543) USER MOD Single : A 80 SER OG : rot 44:sc= 0.151 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.25) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 10:sc= 1.21 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 102 GLN : amide:sc= -0.451 K(o=-0.45,f=-3.9!) USER MOD Single : A 104 SER OG : rot 180:sc= 0.0948 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.707 -19.210 -9.471 1.00 1.25 N ATOM 2 CA GLY A 1 -11.162 -17.972 -8.905 1.00 24.31 C ATOM 3 C GLY A 1 -11.527 -16.782 -9.770 1.00 74.41 C ATOM 4 O GLY A 1 -10.712 -16.409 -10.615 1.00 72.14 O ATOM 0 H1 GLY A 1 -11.446 -20.013 -8.864 1.00 1.25 H new ATOM 0 H2 GLY A 1 -12.743 -19.140 -9.526 1.00 1.25 H new ATOM 0 H3 GLY A 1 -11.319 -19.356 -10.425 1.00 1.25 H new ATOM 0 HA2 GLY A 1 -11.548 -17.827 -7.896 1.00 24.31 H new ATOM 0 HA3 GLY A 1 -10.078 -18.050 -8.823 1.00 24.31 H new ATOM 8 N PRO A 2 -12.713 -16.181 -9.596 1.00 21.13 N ATOM 9 CA PRO A 2 -13.064 -14.903 -10.216 1.00 33.10 C ATOM 10 C PRO A 2 -12.213 -13.738 -9.670 1.00 31.23 C ATOM 11 O PRO A 2 -11.311 -13.926 -8.843 1.00 32.32 O ATOM 12 CB PRO A 2 -14.556 -14.727 -9.903 1.00 20.42 C ATOM 13 CG PRO A 2 -14.726 -15.448 -8.571 1.00 53.34 C ATOM 14 CD PRO A 2 -13.798 -16.647 -8.734 1.00 51.34 C ATOM 0 HA PRO A 2 -12.867 -14.899 -11.288 1.00 33.10 H new ATOM 0 HB2 PRO A 2 -14.829 -13.674 -9.828 1.00 20.42 H new ATOM 0 HB3 PRO A 2 -15.184 -15.164 -10.679 1.00 20.42 H new ATOM 0 HG2 PRO A 2 -14.436 -14.820 -7.728 1.00 53.34 H new ATOM 0 HG3 PRO A 2 -15.759 -15.752 -8.402 1.00 53.34 H new ATOM 0 HD2 PRO A 2 -13.417 -16.984 -7.770 1.00 51.34 H new ATOM 0 HD3 PRO A 2 -14.321 -17.491 -9.182 1.00 51.34 H new ATOM 22 N LEU A 3 -12.539 -12.520 -10.111 1.00 33.52 N ATOM 23 CA LEU A 3 -12.183 -11.261 -9.461 1.00 53.12 C ATOM 24 C LEU A 3 -13.474 -10.510 -9.123 1.00 21.41 C ATOM 25 O LEU A 3 -14.564 -10.935 -9.521 1.00 21.53 O ATOM 26 CB LEU A 3 -11.176 -10.448 -10.311 1.00 51.24 C ATOM 27 CG LEU A 3 -11.645 -9.668 -11.567 1.00 72.34 C ATOM 28 CD1 LEU A 3 -12.555 -10.461 -12.508 1.00 44.30 C ATOM 29 CD2 LEU A 3 -12.304 -8.316 -11.276 1.00 70.30 C ATOM 0 H LEU A 3 -13.080 -12.381 -10.965 1.00 33.52 H new ATOM 0 HA LEU A 3 -11.655 -11.447 -8.526 1.00 53.12 H new ATOM 0 HB2 LEU A 3 -10.703 -9.727 -9.644 1.00 51.24 H new ATOM 0 HB3 LEU A 3 -10.399 -11.140 -10.635 1.00 51.24 H new ATOM 0 HG LEU A 3 -10.696 -9.486 -12.072 1.00 72.34 H new ATOM 0 HD11 LEU A 3 -12.833 -9.837 -13.357 1.00 44.30 H new ATOM 0 HD12 LEU A 3 -12.027 -11.345 -12.865 1.00 44.30 H new ATOM 0 HD13 LEU A 3 -13.454 -10.767 -11.973 1.00 44.30 H new ATOM 0 HD21 LEU A 3 -12.598 -7.845 -12.214 1.00 70.30 H new ATOM 0 HD22 LEU A 3 -13.186 -8.468 -10.654 1.00 70.30 H new ATOM 0 HD23 LEU A 3 -11.597 -7.672 -10.753 1.00 70.30 H new ATOM 41 N GLY A 4 -13.372 -9.394 -8.403 1.00 55.33 N ATOM 42 CA GLY A 4 -14.526 -8.578 -8.069 1.00 41.35 C ATOM 43 C GLY A 4 -14.171 -7.532 -7.027 1.00 40.13 C ATOM 44 O GLY A 4 -12.986 -7.231 -6.827 1.00 43.23 O ATOM 0 H GLY A 4 -12.489 -9.036 -8.039 1.00 55.33 H new ATOM 0 HA2 GLY A 4 -14.902 -8.088 -8.967 1.00 41.35 H new ATOM 0 HA3 GLY A 4 -15.328 -9.213 -7.693 1.00 41.35 H new ATOM 48 N SER A 5 -15.188 -6.944 -6.396 1.00 42.54 N ATOM 49 CA SER A 5 -14.996 -6.279 -5.117 1.00 3.44 C ATOM 50 C SER A 5 -14.849 -7.321 -4.006 1.00 4.11 C ATOM 51 O SER A 5 -15.123 -8.510 -4.207 1.00 1.13 O ATOM 52 CB SER A 5 -16.086 -5.234 -4.879 1.00 3.10 C ATOM 53 OG SER A 5 -15.806 -4.139 -5.738 1.00 33.13 O ATOM 0 H SER A 5 -16.144 -6.917 -6.750 1.00 42.54 H new ATOM 0 HA SER A 5 -14.064 -5.713 -5.120 1.00 3.44 H new ATOM 0 HB2 SER A 5 -17.071 -5.649 -5.092 1.00 3.10 H new ATOM 0 HB3 SER A 5 -16.093 -4.915 -3.837 1.00 3.10 H new ATOM 0 HG SER A 5 -16.487 -3.445 -5.616 1.00 33.13 H new ATOM 59 N LEU A 6 -14.313 -6.875 -2.868 1.00 13.12 N ATOM 60 CA LEU A 6 -13.673 -7.765 -1.910 1.00 4.11 C ATOM 61 C LEU A 6 -14.678 -8.746 -1.315 1.00 45.43 C ATOM 62 O LEU A 6 -15.815 -8.378 -1.001 1.00 60.30 O ATOM 63 CB LEU A 6 -12.914 -6.970 -0.830 1.00 72.24 C ATOM 64 CG LEU A 6 -11.742 -6.124 -1.382 1.00 35.44 C ATOM 65 CD1 LEU A 6 -11.158 -5.224 -0.289 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.599 -6.972 -1.957 1.00 61.12 C ATOM 0 H LEU A 6 -14.312 -5.894 -2.590 1.00 13.12 H new ATOM 0 HA LEU A 6 -12.929 -8.359 -2.441 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.615 -6.311 -0.318 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.528 -7.666 -0.085 1.00 72.24 H new ATOM 0 HG LEU A 6 -12.170 -5.530 -2.190 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -10.336 -4.639 -0.700 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -11.932 -4.552 0.081 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -10.790 -5.840 0.531 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.810 -6.317 -2.327 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.198 -7.619 -1.177 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.976 -7.584 -2.777 1.00 61.12 H new ATOM 78 N ASP A 7 -14.263 -10.001 -1.165 1.00 75.13 N ATOM 79 CA ASP A 7 -15.012 -11.044 -0.496 1.00 1.34 C ATOM 80 C ASP A 7 -15.136 -10.697 0.991 1.00 50.11 C ATOM 81 O ASP A 7 -14.416 -9.832 1.490 1.00 25.20 O ATOM 82 CB ASP A 7 -14.341 -12.411 -0.678 1.00 22.15 C ATOM 83 CG ASP A 7 -13.613 -12.597 -2.008 1.00 51.25 C ATOM 84 OD1 ASP A 7 -14.264 -12.740 -3.068 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -12.363 -12.536 -2.003 1.00 12.54 O ATOM 0 H ASP A 7 -13.363 -10.324 -1.521 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.006 -11.107 -0.939 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -13.629 -12.561 0.134 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -15.100 -13.188 -0.584 1.00 22.15 H new ATOM 90 N GLN A 8 -16.024 -11.361 1.727 1.00 35.03 N ATOM 91 CA GLN A 8 -16.240 -11.100 3.152 1.00 31.00 C ATOM 92 C GLN A 8 -15.005 -11.484 3.965 1.00 15.44 C ATOM 93 O GLN A 8 -14.436 -10.628 4.643 1.00 42.40 O ATOM 94 CB GLN A 8 -17.488 -11.837 3.629 1.00 11.40 C ATOM 95 CG GLN A 8 -18.761 -11.166 3.102 1.00 73.15 C ATOM 96 CD GLN A 8 -19.998 -12.014 3.355 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.063 -13.170 2.930 1.00 73.41 O ATOM 98 NE2 GLN A 8 -21.013 -11.455 3.992 1.00 23.44 N ATOM 0 H GLN A 8 -16.618 -12.100 1.351 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.401 -10.032 3.302 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -17.453 -12.873 3.292 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.508 -11.857 4.719 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -18.883 -10.194 3.580 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -18.659 -10.984 2.032 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.935 -10.497 4.334 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.874 -11.982 4.141 1.00 23.44 H new ATOM 107 N LYS A 9 -14.549 -12.741 3.852 1.00 54.03 N ATOM 108 CA LYS A 9 -13.305 -13.191 4.487 1.00 31.31 C ATOM 109 C LYS A 9 -12.176 -12.238 4.130 1.00 71.23 C ATOM 110 O LYS A 9 -11.461 -11.756 5.008 1.00 2.24 O ATOM 111 CB LYS A 9 -12.932 -14.602 4.011 1.00 54.31 C ATOM 112 CG LYS A 9 -13.806 -15.717 4.584 1.00 72.00 C ATOM 113 CD LYS A 9 -13.559 -15.969 6.079 1.00 23.34 C ATOM 114 CE LYS A 9 -14.047 -17.375 6.432 1.00 1.24 C ATOM 115 NZ LYS A 9 -13.953 -17.656 7.877 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.029 -13.468 3.322 1.00 54.03 H new ATOM 0 HA LYS A 9 -13.457 -13.207 5.566 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -12.993 -14.633 2.923 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -11.894 -14.799 4.277 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.855 -15.462 4.433 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -13.619 -16.637 4.031 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -12.498 -15.870 6.308 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -14.085 -15.226 6.678 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -15.082 -17.489 6.109 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -13.458 -18.110 5.883 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -14.295 -18.620 8.066 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -12.962 -17.574 8.183 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -14.535 -16.973 8.402 1.00 21.22 H new ATOM 129 N THR A 10 -12.034 -11.983 2.833 1.00 74.25 N ATOM 130 CA THR A 10 -10.995 -11.135 2.295 1.00 13.54 C ATOM 131 C THR A 10 -11.001 -9.767 2.982 1.00 52.52 C ATOM 132 O THR A 10 -9.955 -9.328 3.452 1.00 61.23 O ATOM 133 CB THR A 10 -11.127 -11.086 0.768 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.070 -12.418 0.275 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.993 -10.300 0.117 1.00 21.15 C ATOM 0 H THR A 10 -12.652 -12.370 2.120 1.00 74.25 H new ATOM 0 HA THR A 10 -10.009 -11.548 2.508 1.00 13.54 H new ATOM 0 HB THR A 10 -12.069 -10.594 0.527 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.209 -12.414 -0.695 1.00 34.44 H new ATOM 0 HG21 THR A 10 -10.129 -10.293 -0.964 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.999 -9.276 0.490 1.00 21.15 H new ATOM 0 HG23 THR A 10 -9.039 -10.769 0.359 1.00 21.15 H new ATOM 143 N PHE A 11 -12.153 -9.101 3.061 1.00 2.31 N ATOM 144 CA PHE A 11 -12.284 -7.777 3.645 1.00 54.43 C ATOM 145 C PHE A 11 -11.931 -7.788 5.130 1.00 2.41 C ATOM 146 O PHE A 11 -11.126 -6.963 5.562 1.00 32.02 O ATOM 147 CB PHE A 11 -13.712 -7.287 3.408 1.00 25.32 C ATOM 148 CG PHE A 11 -13.961 -5.816 3.689 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.270 -4.826 2.965 1.00 32.05 C ATOM 150 CD2 PHE A 11 -14.924 -5.431 4.639 1.00 71.24 C ATOM 151 CE1 PHE A 11 -13.538 -3.464 3.192 1.00 20.31 C ATOM 152 CE2 PHE A 11 -15.198 -4.071 4.861 1.00 72.32 C ATOM 153 CZ PHE A 11 -14.501 -3.085 4.141 1.00 65.24 C ATOM 0 H PHE A 11 -13.034 -9.478 2.713 1.00 2.31 H new ATOM 0 HA PHE A 11 -11.582 -7.092 3.169 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -13.978 -7.489 2.370 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.386 -7.876 4.030 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -12.531 -5.114 2.232 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -15.456 -6.185 5.201 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -13.002 -2.709 2.636 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -15.945 -3.783 5.586 1.00 72.32 H new ATOM 0 HZ PHE A 11 -14.706 -2.039 4.317 1.00 65.24 H new ATOM 163 N SER A 12 -12.476 -8.730 5.901 1.00 52.41 N ATOM 164 CA SER A 12 -12.191 -8.841 7.328 1.00 3.30 C ATOM 165 C SER A 12 -10.688 -9.006 7.585 1.00 51.11 C ATOM 166 O SER A 12 -10.140 -8.304 8.441 1.00 3.04 O ATOM 167 CB SER A 12 -12.999 -9.997 7.923 1.00 34.53 C ATOM 168 OG SER A 12 -14.382 -9.726 7.783 1.00 33.32 O ATOM 0 H SER A 12 -13.126 -9.435 5.553 1.00 52.41 H new ATOM 0 HA SER A 12 -12.492 -7.918 7.823 1.00 3.30 H new ATOM 0 HB2 SER A 12 -12.747 -10.929 7.418 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.747 -10.127 8.976 1.00 34.53 H new ATOM 0 HG SER A 12 -14.664 -9.928 6.866 1.00 33.32 H new ATOM 174 N ILE A 13 -10.019 -9.874 6.815 1.00 45.32 N ATOM 175 CA ILE A 13 -8.571 -10.060 6.873 1.00 14.50 C ATOM 176 C ILE A 13 -7.870 -8.742 6.535 1.00 34.12 C ATOM 177 O ILE A 13 -6.909 -8.380 7.210 1.00 34.35 O ATOM 178 CB ILE A 13 -8.138 -11.212 5.931 1.00 15.23 C ATOM 179 CG1 ILE A 13 -8.569 -12.582 6.504 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.616 -11.215 5.661 1.00 52.31 C ATOM 181 CD1 ILE A 13 -8.605 -13.710 5.464 1.00 3.22 C ATOM 0 H ILE A 13 -10.477 -10.472 6.127 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.276 -10.345 7.883 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.643 -11.041 4.980 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -7.884 -12.861 7.304 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -9.558 -12.482 6.951 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.366 -12.042 4.996 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.327 -10.273 5.194 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.080 -11.332 6.603 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -8.916 -14.638 5.944 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.312 -13.455 4.675 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -7.612 -13.840 5.033 1.00 3.22 H new ATOM 193 N CYS A 14 -8.319 -8.019 5.507 1.00 42.43 N ATOM 194 CA CYS A 14 -7.716 -6.755 5.109 1.00 71.02 C ATOM 195 C CYS A 14 -7.766 -5.716 6.240 1.00 75.44 C ATOM 196 O CYS A 14 -6.756 -5.059 6.513 1.00 53.24 O ATOM 197 CB CYS A 14 -8.400 -6.209 3.853 1.00 61.45 C ATOM 198 SG CYS A 14 -8.036 -7.199 2.373 1.00 44.54 S ATOM 0 H CYS A 14 -9.112 -8.298 4.929 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.667 -6.948 4.887 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -9.478 -6.184 4.013 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -8.078 -5.181 3.686 1.00 61.45 H new ATOM 0 HG CYS A 14 -8.707 -8.311 2.419 1.00 44.54 H new ATOM 204 N LYS A 15 -8.915 -5.577 6.914 1.00 61.20 N ATOM 205 CA LYS A 15 -9.060 -4.653 8.044 1.00 71.41 C ATOM 206 C LYS A 15 -8.066 -4.995 9.155 1.00 64.32 C ATOM 207 O LYS A 15 -7.480 -4.084 9.736 1.00 53.44 O ATOM 208 CB LYS A 15 -10.507 -4.634 8.573 1.00 2.12 C ATOM 209 CG LYS A 15 -11.519 -4.125 7.530 1.00 72.43 C ATOM 210 CD LYS A 15 -12.943 -3.911 8.059 1.00 54.23 C ATOM 211 CE LYS A 15 -13.036 -2.615 8.878 1.00 22.04 C ATOM 212 NZ LYS A 15 -13.052 -2.854 10.332 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.764 -6.098 6.693 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.833 -3.649 7.687 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.788 -5.640 8.884 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.556 -4.001 9.459 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.154 -3.183 7.121 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.557 -4.837 6.705 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.643 -3.869 7.224 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -13.236 -4.759 8.678 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -12.191 -1.973 8.630 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.940 -2.076 8.594 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -12.777 -1.983 10.830 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -14.009 -3.135 10.627 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -12.381 -3.613 10.566 1.00 53.52 H new ATOM 226 N GLU A 16 -7.857 -6.280 9.432 1.00 32.01 N ATOM 227 CA GLU A 16 -6.863 -6.767 10.385 1.00 34.41 C ATOM 228 C GLU A 16 -5.428 -6.520 9.896 1.00 35.03 C ATOM 229 O GLU A 16 -4.528 -6.259 10.698 1.00 3.44 O ATOM 230 CB GLU A 16 -7.104 -8.271 10.571 1.00 11.31 C ATOM 231 CG GLU A 16 -8.263 -8.572 11.522 1.00 11.31 C ATOM 232 CD GLU A 16 -7.768 -8.607 12.966 1.00 44.31 C ATOM 233 OE1 GLU A 16 -7.127 -9.621 13.339 1.00 73.22 O ATOM 234 OE2 GLU A 16 -8.030 -7.620 13.693 1.00 55.10 O1- ATOM 0 H GLU A 16 -8.388 -7.030 8.989 1.00 32.01 H new ATOM 0 HA GLU A 16 -6.970 -6.228 11.327 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -7.309 -8.724 9.601 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -6.195 -8.735 10.954 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -9.037 -7.813 11.414 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -8.716 -9.529 11.262 1.00 11.31 H new ATOM 241 N ARG A 17 -5.197 -6.613 8.583 1.00 63.14 N ATOM 242 CA ARG A 17 -3.882 -6.451 7.971 1.00 23.14 C ATOM 243 C ARG A 17 -3.385 -5.029 8.176 1.00 53.13 C ATOM 244 O ARG A 17 -2.247 -4.824 8.594 1.00 22.52 O ATOM 245 CB ARG A 17 -3.953 -6.783 6.470 1.00 51.25 C ATOM 246 CG ARG A 17 -2.657 -7.393 5.917 1.00 12.51 C ATOM 247 CD ARG A 17 -2.739 -8.923 5.812 1.00 23.13 C ATOM 248 NE ARG A 17 -2.592 -9.614 7.103 1.00 4.42 N ATOM 249 CZ ARG A 17 -2.321 -10.918 7.243 1.00 41.23 C ATOM 250 NH1 ARG A 17 -2.310 -11.736 6.195 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -2.047 -11.404 8.442 1.00 54.34 N ATOM 0 H ARG A 17 -5.935 -6.807 7.906 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.182 -7.138 8.446 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.775 -7.478 6.298 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -4.183 -5.874 5.915 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -2.450 -6.973 4.933 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -1.823 -7.118 6.563 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -3.697 -9.197 5.370 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -1.963 -9.274 5.132 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.705 -9.060 7.952 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -2.510 -11.373 5.263 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -2.101 -12.726 6.323 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -2.043 -10.787 9.254 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -1.840 -12.396 8.555 1.00 54.34 H new ATOM 265 N MET A 18 -4.219 -4.034 7.873 1.00 71.35 N ATOM 266 CA MET A 18 -3.881 -2.629 8.087 1.00 21.12 C ATOM 267 C MET A 18 -4.122 -2.257 9.562 1.00 10.24 C ATOM 268 O MET A 18 -4.857 -1.314 9.861 1.00 60.01 O ATOM 269 CB MET A 18 -4.642 -1.724 7.097 1.00 35.41 C ATOM 270 CG MET A 18 -4.011 -1.626 5.706 1.00 63.51 C ATOM 271 SD MET A 18 -4.182 -3.110 4.700 1.00 62.02 S ATOM 272 CE MET A 18 -2.459 -3.631 4.669 1.00 72.55 C ATOM 0 H MET A 18 -5.146 -4.180 7.473 1.00 71.35 H new ATOM 0 HA MET A 18 -2.822 -2.469 7.884 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.661 -2.098 6.994 1.00 35.41 H new ATOM 0 HB3 MET A 18 -4.711 -0.722 7.521 1.00 35.41 H new ATOM 0 HG2 MET A 18 -4.463 -0.788 5.175 1.00 63.51 H new ATOM 0 HG3 MET A 18 -2.951 -1.398 5.817 1.00 63.51 H new ATOM 0 HE1 MET A 18 -2.366 -4.546 4.084 1.00 72.55 H new ATOM 0 HE2 MET A 18 -1.850 -2.848 4.217 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.116 -3.815 5.687 1.00 72.55 H new ATOM 282 N ARG A 19 -3.488 -2.969 10.500 1.00 70.53 N ATOM 283 CA ARG A 19 -3.368 -2.527 11.887 1.00 32.31 C ATOM 284 C ARG A 19 -2.205 -1.546 11.976 1.00 1.35 C ATOM 285 O ARG A 19 -2.478 -0.397 12.306 1.00 33.22 O ATOM 286 CB ARG A 19 -3.186 -3.686 12.885 1.00 55.31 C ATOM 287 CG ARG A 19 -4.502 -4.173 13.512 1.00 70.22 C ATOM 288 CD ARG A 19 -4.239 -4.966 14.801 1.00 11.33 C ATOM 289 NE ARG A 19 -3.755 -4.087 15.883 1.00 22.22 N ATOM 290 CZ ARG A 19 -3.278 -4.435 17.081 1.00 44.22 C ATOM 291 NH1 ARG A 19 -3.356 -5.685 17.529 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -2.708 -3.493 17.821 1.00 44.53 N ATOM 0 H ARG A 19 -3.044 -3.869 10.315 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.303 -2.045 12.172 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -2.706 -4.521 12.375 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -2.511 -3.367 13.679 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.142 -3.319 13.731 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.039 -4.799 12.799 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.155 -5.464 15.117 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -3.503 -5.746 14.607 1.00 11.33 H new ATOM 0 HE ARG A 19 -3.789 -3.086 15.692 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -3.789 -6.407 16.953 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -2.983 -5.921 18.448 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -2.645 -2.537 17.470 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -2.333 -3.724 18.741 1.00 44.53 H new ATOM 306 N PRO A 20 -0.949 -1.944 11.675 1.00 55.23 N ATOM 307 CA PRO A 20 0.226 -1.123 11.955 1.00 5.31 C ATOM 308 C PRO A 20 0.302 0.186 11.159 1.00 5.24 C ATOM 309 O PRO A 20 1.105 1.052 11.503 1.00 22.40 O ATOM 310 CB PRO A 20 1.430 -2.018 11.652 1.00 24.21 C ATOM 311 CG PRO A 20 0.903 -3.085 10.706 1.00 41.52 C ATOM 312 CD PRO A 20 -0.512 -3.264 11.221 1.00 62.13 C ATOM 0 HA PRO A 20 0.190 -0.788 12.992 1.00 5.31 H new ATOM 0 HB2 PRO A 20 2.238 -1.449 11.193 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.830 -2.462 12.563 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.924 -2.759 9.666 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.481 -4.007 10.763 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.167 -3.643 10.437 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.541 -3.986 12.037 1.00 62.13 H new ATOM 320 N VAL A 21 -0.500 0.335 10.104 1.00 53.43 N ATOM 321 CA VAL A 21 -0.450 1.456 9.170 1.00 65.33 C ATOM 322 C VAL A 21 -1.830 2.125 9.038 1.00 34.13 C ATOM 323 O VAL A 21 -2.200 2.623 7.975 1.00 65.24 O ATOM 324 CB VAL A 21 0.147 0.956 7.838 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.640 0.622 7.967 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.587 -0.264 7.265 1.00 41.14 C ATOM 0 H VAL A 21 -1.225 -0.344 9.870 1.00 53.43 H new ATOM 0 HA VAL A 21 0.203 2.246 9.542 1.00 65.33 H new ATOM 0 HB VAL A 21 0.017 1.787 7.145 1.00 4.30 H new ATOM 0 HG11 VAL A 21 2.019 0.274 7.006 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.187 1.514 8.272 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.775 -0.159 8.715 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.117 -0.565 6.329 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.536 -1.087 7.977 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.630 -0.008 7.081 1.00 41.14 H new ATOM 336 N LYS A 22 -2.650 2.125 10.091 1.00 4.01 N ATOM 337 CA LYS A 22 -4.006 2.685 10.044 1.00 52.15 C ATOM 338 C LYS A 22 -3.976 4.209 9.860 1.00 32.24 C ATOM 339 O LYS A 22 -4.769 4.756 9.067 1.00 35.14 O ATOM 340 CB LYS A 22 -4.765 2.287 11.326 1.00 14.31 C ATOM 341 CG LYS A 22 -6.196 1.770 11.085 1.00 51.24 C ATOM 342 CD LYS A 22 -7.261 2.572 11.846 1.00 4.42 C ATOM 343 CE LYS A 22 -8.559 1.762 11.936 1.00 30.13 C ATOM 344 NZ LYS A 22 -9.661 2.539 12.538 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.395 1.738 11.000 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.530 2.275 9.181 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.196 1.516 11.846 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.811 3.151 11.989 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.415 1.808 10.018 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.254 0.724 11.386 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -6.902 2.812 12.847 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -7.447 3.519 11.339 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.851 1.434 10.938 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -8.384 0.864 12.528 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -10.518 1.952 12.579 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.395 2.830 13.500 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -9.847 3.383 11.960 1.00 62.13 H new ATOM 358 N ALA A 23 -3.048 4.890 10.544 1.00 3.10 N ATOM 359 CA ALA A 23 -2.817 6.307 10.279 1.00 60.23 C ATOM 360 C ALA A 23 -2.441 6.469 8.815 1.00 22.25 C ATOM 361 O ALA A 23 -3.101 7.248 8.147 1.00 61.41 O ATOM 362 CB ALA A 23 -1.754 6.950 11.176 1.00 13.54 C ATOM 0 H ALA A 23 -2.457 4.488 11.271 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.743 6.833 10.511 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.644 8.002 10.913 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.059 6.866 12.219 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.801 6.440 11.034 1.00 13.54 H new ATOM 368 N ALA A 24 -1.459 5.710 8.304 1.00 33.30 N ATOM 369 CA ALA A 24 -0.984 5.801 6.928 1.00 54.32 C ATOM 370 C ALA A 24 -2.144 5.630 5.949 1.00 25.33 C ATOM 371 O ALA A 24 -2.220 6.366 4.972 1.00 41.25 O ATOM 372 CB ALA A 24 0.107 4.757 6.660 1.00 1.31 C ATOM 0 H ALA A 24 -0.968 5.004 8.852 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.552 6.791 6.780 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.447 4.843 5.628 1.00 1.31 H new ATOM 0 HB2 ALA A 24 0.947 4.927 7.334 1.00 1.31 H new ATOM 0 HB3 ALA A 24 -0.296 3.758 6.828 1.00 1.31 H new ATOM 378 N LEU A 25 -3.072 4.715 6.243 1.00 62.25 N ATOM 379 CA LEU A 25 -4.316 4.568 5.507 1.00 63.42 C ATOM 380 C LEU A 25 -5.041 5.914 5.447 1.00 64.02 C ATOM 381 O LEU A 25 -5.229 6.455 4.363 1.00 34.33 O ATOM 382 CB LEU A 25 -5.235 3.506 6.142 1.00 1.32 C ATOM 383 CG LEU A 25 -5.343 2.146 5.448 1.00 2.24 C ATOM 384 CD1 LEU A 25 -6.281 1.284 6.305 1.00 2.21 C ATOM 385 CD2 LEU A 25 -5.945 2.237 4.050 1.00 60.44 C ATOM 0 H LEU A 25 -2.972 4.050 7.010 1.00 62.25 H new ATOM 0 HA LEU A 25 -4.071 4.233 4.499 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -4.893 3.335 7.163 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -6.238 3.928 6.209 1.00 1.32 H new ATOM 0 HG LEU A 25 -4.340 1.731 5.346 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -6.390 0.300 5.848 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -5.863 1.175 7.306 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -7.258 1.764 6.370 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -5.995 1.241 3.610 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -6.949 2.657 4.113 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -5.322 2.878 3.427 1.00 60.44 H new ATOM 397 N LYS A 26 -5.475 6.453 6.595 1.00 54.00 N ATOM 398 CA LYS A 26 -6.324 7.657 6.560 1.00 74.52 C ATOM 399 C LYS A 26 -5.559 8.936 6.162 1.00 13.22 C ATOM 400 O LYS A 26 -6.164 9.930 5.766 1.00 65.43 O ATOM 401 CB LYS A 26 -7.036 7.804 7.905 1.00 21.25 C ATOM 402 CG LYS A 26 -8.184 8.837 7.868 1.00 45.03 C ATOM 403 CD LYS A 26 -8.992 8.859 9.175 1.00 54.44 C ATOM 404 CE LYS A 26 -10.091 9.936 9.139 1.00 30.32 C ATOM 405 NZ LYS A 26 -11.233 9.607 8.256 1.00 3.34 N1+ ATOM 0 H LYS A 26 -5.264 6.094 7.526 1.00 54.00 H new ATOM 0 HA LYS A 26 -7.065 7.525 5.771 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -7.435 6.836 8.207 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.311 8.101 8.663 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.771 9.829 7.682 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.850 8.607 7.036 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.444 7.881 9.341 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.323 9.048 10.015 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.463 10.094 10.151 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -9.651 10.877 8.810 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -11.929 10.379 8.286 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -10.894 9.484 7.281 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -11.680 8.726 8.580 1.00 3.34 H new ATOM 419 N GLN A 27 -4.237 8.933 6.240 1.00 44.31 N ATOM 420 CA GLN A 27 -3.335 9.988 5.879 1.00 45.20 C ATOM 421 C GLN A 27 -3.190 10.075 4.351 1.00 75.11 C ATOM 422 O GLN A 27 -2.975 11.162 3.813 1.00 3.23 O ATOM 423 CB GLN A 27 -2.082 9.518 6.616 1.00 63.33 C ATOM 424 CG GLN A 27 -0.792 10.173 6.266 1.00 62.13 C ATOM 425 CD GLN A 27 -0.764 11.668 6.554 1.00 71.01 C ATOM 426 OE1 GLN A 27 -0.393 12.469 5.707 1.00 33.44 O ATOM 427 NE2 GLN A 27 -1.148 12.082 7.753 1.00 1.20 N ATOM 0 H GLN A 27 -3.736 8.116 6.589 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.629 11.003 6.146 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -2.249 9.654 7.684 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.973 8.447 6.445 1.00 63.33 H new ATOM 0 HG2 GLN A 27 0.012 9.690 6.821 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.589 10.013 5.207 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -1.456 11.406 8.452 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -1.136 13.077 7.977 1.00 1.20 H new ATOM 436 N LEU A 28 -3.306 8.949 3.639 1.00 32.11 N ATOM 437 CA LEU A 28 -3.278 8.897 2.177 1.00 1.43 C ATOM 438 C LEU A 28 -4.611 9.359 1.567 1.00 13.42 C ATOM 439 O LEU A 28 -4.642 9.721 0.386 1.00 2.11 O ATOM 440 CB LEU A 28 -2.905 7.464 1.735 1.00 33.02 C ATOM 441 CG LEU A 28 -1.409 7.239 1.427 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.081 7.729 0.010 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.437 7.882 2.431 1.00 62.12 C ATOM 0 H LEU A 28 -3.424 8.033 4.072 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.522 9.590 1.806 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.206 6.769 2.519 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.484 7.213 0.846 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.259 6.163 1.514 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.023 7.565 -0.196 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -1.681 7.178 -0.714 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.305 8.793 -0.068 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.589 7.670 2.131 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.594 8.961 2.449 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.617 7.472 3.425 1.00 62.12 H new ATOM 455 N ASP A 29 -5.680 9.371 2.369 1.00 4.35 N ATOM 456 CA ASP A 29 -7.043 9.769 2.012 1.00 23.20 C ATOM 457 C ASP A 29 -7.064 11.214 1.540 1.00 70.54 C ATOM 458 O ASP A 29 -7.378 11.483 0.376 1.00 54.23 O ATOM 459 CB ASP A 29 -7.971 9.507 3.213 1.00 44.14 C ATOM 460 CG ASP A 29 -9.464 9.410 2.884 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.052 10.354 2.308 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.096 8.437 3.358 1.00 42.44 O ATOM 0 H ASP A 29 -5.611 9.085 3.346 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.411 9.173 1.177 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.662 8.579 3.693 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.828 10.306 3.941 1.00 44.14 H new ATOM 467 N ARG A 30 -6.681 12.147 2.418 1.00 1.15 N ATOM 468 CA ARG A 30 -6.654 13.577 2.132 1.00 60.23 C ATOM 469 C ARG A 30 -5.704 14.297 3.095 1.00 21.12 C ATOM 470 O ARG A 30 -5.542 13.807 4.221 1.00 42.23 O ATOM 471 CB ARG A 30 -8.091 14.128 2.253 1.00 12.30 C ATOM 472 CG ARG A 30 -8.642 14.572 0.898 1.00 32.22 C ATOM 473 CD ARG A 30 -10.158 14.767 0.911 1.00 61.42 C ATOM 474 NE ARG A 30 -10.565 15.735 -0.118 1.00 74.33 N ATOM 475 CZ ARG A 30 -10.346 15.653 -1.434 1.00 54.25 C ATOM 476 NH1 ARG A 30 -9.888 14.531 -1.968 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -10.569 16.704 -2.208 1.00 42.22 N ATOM 0 H ARG A 30 -6.376 11.920 3.365 1.00 1.15 H new ATOM 0 HA ARG A 30 -6.285 13.749 1.121 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.740 13.362 2.676 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -8.101 14.971 2.944 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -8.163 15.506 0.604 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -8.382 13.829 0.144 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -10.654 13.812 0.736 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -10.477 15.117 1.893 1.00 61.42 H new ATOM 0 HE ARG A 30 -11.070 16.559 0.208 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -9.700 13.723 -1.374 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -9.723 14.475 -2.973 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -10.908 17.575 -1.800 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -10.402 16.642 -3.212 1.00 42.22 H new ATOM 491 N PRO A 31 -5.167 15.471 2.712 1.00 42.22 N ATOM 492 CA PRO A 31 -4.242 16.247 3.523 1.00 54.35 C ATOM 493 C PRO A 31 -4.830 16.705 4.856 1.00 4.11 C ATOM 494 O PRO A 31 -6.049 16.832 5.030 1.00 74.21 O ATOM 495 CB PRO A 31 -3.803 17.441 2.657 1.00 32.13 C ATOM 496 CG PRO A 31 -4.877 17.535 1.585 1.00 42.02 C ATOM 497 CD PRO A 31 -5.276 16.081 1.398 1.00 44.54 C ATOM 0 HA PRO A 31 -3.395 15.623 3.808 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -3.743 18.358 3.243 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -2.818 17.277 2.221 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -5.718 18.150 1.905 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -4.494 17.973 0.663 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.292 16.000 1.012 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -4.622 15.585 0.681 1.00 44.54 H new ATOM 505 N GLU A 32 -3.914 16.978 5.781 1.00 1.13 N ATOM 506 CA GLU A 32 -4.134 17.585 7.088 1.00 30.44 C ATOM 507 C GLU A 32 -4.212 19.110 6.913 1.00 4.33 C ATOM 508 O GLU A 32 -4.206 19.626 5.790 1.00 30.13 O ATOM 509 CB GLU A 32 -2.955 17.173 8.006 1.00 33.11 C ATOM 510 CG GLU A 32 -3.235 17.162 9.511 1.00 14.44 C ATOM 511 CD GLU A 32 -4.166 16.024 9.920 1.00 31.31 C ATOM 512 OE1 GLU A 32 -5.394 16.196 9.781 1.00 41.22 O ATOM 513 OE2 GLU A 32 -3.693 15.018 10.500 1.00 23.13 O1- ATOM 0 H GLU A 32 -2.929 16.765 5.625 1.00 1.13 H new ATOM 0 HA GLU A 32 -5.067 17.249 7.541 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -2.626 16.176 7.713 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -2.123 17.852 7.818 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -2.293 17.070 10.053 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -3.679 18.114 9.802 1.00 14.44 H new ATOM 520 N LYS A 33 -4.262 19.855 8.020 1.00 52.24 N ATOM 521 CA LYS A 33 -4.128 21.303 8.062 1.00 32.14 C ATOM 522 C LYS A 33 -3.230 21.766 9.223 1.00 2.41 C ATOM 523 O LYS A 33 -2.888 22.941 9.331 1.00 0.40 O ATOM 524 CB LYS A 33 -5.564 21.870 8.033 1.00 62.42 C ATOM 525 CG LYS A 33 -5.753 23.251 8.659 1.00 63.41 C ATOM 526 CD LYS A 33 -7.232 23.648 8.650 1.00 51.51 C ATOM 527 CE LYS A 33 -7.446 25.058 9.209 1.00 43.22 C ATOM 528 NZ LYS A 33 -8.869 25.315 9.503 1.00 43.21 N1+ ATOM 0 H LYS A 33 -4.402 19.445 8.944 1.00 52.24 H new ATOM 0 HA LYS A 33 -3.593 21.702 7.200 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -5.894 21.915 6.995 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -6.221 21.168 8.546 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -5.378 23.247 9.682 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -5.169 23.989 8.109 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -7.615 23.599 7.631 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -7.804 22.932 9.240 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -6.858 25.183 10.118 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -7.083 25.794 8.491 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -8.977 26.278 9.880 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -9.426 25.220 8.630 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -9.208 24.628 10.207 1.00 43.21 H new ATOM 542 N GLY A 34 -2.781 20.839 10.063 1.00 62.23 N ATOM 543 CA GLY A 34 -1.999 21.109 11.265 1.00 43.33 C ATOM 544 C GLY A 34 -0.486 21.190 11.034 1.00 1.12 C ATOM 545 O GLY A 34 0.282 21.454 11.965 1.00 35.04 O ATOM 0 H GLY A 34 -2.958 19.845 9.921 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -2.338 22.049 11.700 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -2.201 20.327 11.998 1.00 43.33 H new ATOM 549 N LEU A 35 -0.037 20.897 9.817 1.00 20.30 N ATOM 550 CA LEU A 35 1.343 20.745 9.402 1.00 75.01 C ATOM 551 C LEU A 35 1.482 21.618 8.147 1.00 50.32 C ATOM 552 O LEU A 35 0.516 22.269 7.732 1.00 62.14 O ATOM 553 CB LEU A 35 1.617 19.266 9.072 1.00 30.55 C ATOM 554 CG LEU A 35 1.741 18.218 10.198 1.00 75.10 C ATOM 555 CD1 LEU A 35 0.546 18.154 11.157 1.00 74.41 C ATOM 556 CD2 LEU A 35 1.853 16.844 9.525 1.00 10.10 C ATOM 0 H LEU A 35 -0.682 20.750 9.041 1.00 20.30 H new ATOM 0 HA LEU A 35 2.052 21.042 10.175 1.00 75.01 H new ATOM 0 HB2 LEU A 35 0.819 18.932 8.409 1.00 30.55 H new ATOM 0 HB3 LEU A 35 2.543 19.232 8.498 1.00 30.55 H new ATOM 0 HG LEU A 35 2.607 18.502 10.796 1.00 75.10 H new ATOM 0 HD11 LEU A 35 0.726 17.389 11.912 1.00 74.41 H new ATOM 0 HD12 LEU A 35 0.418 19.121 11.643 1.00 74.41 H new ATOM 0 HD13 LEU A 35 -0.356 17.906 10.598 1.00 74.41 H new ATOM 0 HD21 LEU A 35 1.943 16.071 10.288 1.00 10.10 H new ATOM 0 HD22 LEU A 35 0.962 16.659 8.925 1.00 10.10 H new ATOM 0 HD23 LEU A 35 2.734 16.824 8.883 1.00 10.10 H new ATOM 568 N SER A 36 2.636 21.601 7.493 1.00 13.30 N ATOM 569 CA SER A 36 3.040 22.517 6.446 1.00 21.20 C ATOM 570 C SER A 36 3.161 21.832 5.077 1.00 65.31 C ATOM 571 O SER A 36 3.118 20.605 4.982 1.00 60.15 O ATOM 572 CB SER A 36 4.294 23.280 6.885 1.00 50.44 C ATOM 573 OG SER A 36 4.059 23.826 8.170 1.00 62.23 O ATOM 0 H SER A 36 3.354 20.905 7.694 1.00 13.30 H new ATOM 0 HA SER A 36 2.253 23.256 6.296 1.00 21.20 H new ATOM 0 HB2 SER A 36 5.155 22.612 6.909 1.00 50.44 H new ATOM 0 HB3 SER A 36 4.524 24.072 6.173 1.00 50.44 H new ATOM 0 HG SER A 36 4.853 24.317 8.467 1.00 62.23 H new ATOM 579 N GLU A 37 3.240 22.620 4.003 1.00 43.12 N ATOM 580 CA GLU A 37 3.033 22.177 2.627 1.00 23.33 C ATOM 581 C GLU A 37 4.010 21.081 2.191 1.00 0.42 C ATOM 582 O GLU A 37 3.624 20.181 1.450 1.00 53.05 O ATOM 583 CB GLU A 37 3.143 23.405 1.712 1.00 4.24 C ATOM 584 CG GLU A 37 1.873 24.268 1.767 1.00 51.34 C ATOM 585 CD GLU A 37 2.031 25.647 1.119 1.00 10.03 C ATOM 586 OE1 GLU A 37 3.057 25.939 0.454 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 1.113 26.483 1.283 1.00 20.55 O ATOM 0 H GLU A 37 3.457 23.614 4.071 1.00 43.12 H new ATOM 0 HA GLU A 37 2.043 21.726 2.555 1.00 23.33 H new ATOM 0 HB2 GLU A 37 4.004 24.004 2.009 1.00 4.24 H new ATOM 0 HB3 GLU A 37 3.319 23.080 0.686 1.00 4.24 H new ATOM 0 HG2 GLU A 37 1.062 23.735 1.271 1.00 51.34 H new ATOM 0 HG3 GLU A 37 1.579 24.398 2.808 1.00 51.34 H new ATOM 594 N ARG A 38 5.262 21.110 2.651 1.00 21.15 N ATOM 595 CA ARG A 38 6.251 20.102 2.267 1.00 61.30 C ATOM 596 C ARG A 38 6.413 19.028 3.333 1.00 25.54 C ATOM 597 O ARG A 38 7.018 17.988 3.066 1.00 2.34 O ATOM 598 CB ARG A 38 7.570 20.803 1.967 1.00 12.35 C ATOM 599 CG ARG A 38 8.517 19.939 1.115 1.00 63.40 C ATOM 600 CD ARG A 38 9.633 20.778 0.482 1.00 71.42 C ATOM 601 NE ARG A 38 10.366 21.579 1.474 1.00 64.41 N ATOM 602 CZ ARG A 38 11.241 21.136 2.383 1.00 71.50 C ATOM 603 NH1 ARG A 38 11.547 19.847 2.492 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 11.822 22.025 3.172 1.00 51.23 N ATOM 0 H ARG A 38 5.615 21.822 3.291 1.00 21.15 H new ATOM 0 HA ARG A 38 5.905 19.584 1.372 1.00 61.30 H new ATOM 0 HB2 ARG A 38 7.370 21.739 1.446 1.00 12.35 H new ATOM 0 HB3 ARG A 38 8.063 21.060 2.905 1.00 12.35 H new ATOM 0 HG2 ARG A 38 8.956 19.159 1.737 1.00 63.40 H new ATOM 0 HG3 ARG A 38 7.948 19.439 0.331 1.00 63.40 H new ATOM 0 HD2 ARG A 38 10.330 20.119 -0.035 1.00 71.42 H new ATOM 0 HD3 ARG A 38 9.204 21.440 -0.270 1.00 71.42 H new ATOM 0 HE ARG A 38 10.187 22.583 1.468 1.00 64.41 H new ATOM 0 HH11 ARG A 38 11.110 19.165 1.872 1.00 14.30 H new ATOM 0 HH12 ARG A 38 12.219 19.540 3.196 1.00 14.30 H new ATOM 0 HH21 ARG A 38 11.598 23.015 3.076 1.00 51.23 H new ATOM 0 HH22 ARG A 38 12.494 21.720 3.876 1.00 51.23 H new ATOM 618 N GLU A 39 5.852 19.242 4.523 1.00 34.32 N ATOM 619 CA GLU A 39 5.688 18.158 5.480 1.00 22.23 C ATOM 620 C GLU A 39 4.726 17.142 4.869 1.00 4.10 C ATOM 621 O GLU A 39 4.986 15.949 4.958 1.00 34.05 O ATOM 622 CB GLU A 39 5.156 18.643 6.840 1.00 71.25 C ATOM 623 CG GLU A 39 5.930 19.813 7.459 1.00 31.04 C ATOM 624 CD GLU A 39 7.428 19.577 7.647 1.00 75.22 C ATOM 625 OE1 GLU A 39 7.885 18.420 7.740 1.00 73.33 O ATOM 626 OE2 GLU A 39 8.161 20.591 7.696 1.00 14.54 O1- ATOM 0 H GLU A 39 5.508 20.148 4.841 1.00 34.32 H new ATOM 0 HA GLU A 39 6.663 17.712 5.677 1.00 22.23 H new ATOM 0 HB2 GLU A 39 4.114 18.939 6.721 1.00 71.25 H new ATOM 0 HB3 GLU A 39 5.172 17.806 7.539 1.00 71.25 H new ATOM 0 HG2 GLU A 39 5.793 20.692 6.829 1.00 31.04 H new ATOM 0 HG3 GLU A 39 5.491 20.045 8.429 1.00 31.04 H new ATOM 633 N GLN A 40 3.650 17.610 4.214 1.00 75.44 N ATOM 634 CA GLN A 40 2.636 16.747 3.587 1.00 33.21 C ATOM 635 C GLN A 40 3.316 15.733 2.678 1.00 45.12 C ATOM 636 O GLN A 40 3.029 14.541 2.745 1.00 73.12 O ATOM 637 CB GLN A 40 1.630 17.565 2.752 1.00 44.22 C ATOM 638 CG GLN A 40 0.567 18.333 3.549 1.00 34.02 C ATOM 639 CD GLN A 40 -0.449 17.406 4.217 1.00 3.44 C ATOM 640 OE1 GLN A 40 -0.977 16.489 3.603 1.00 24.20 O ATOM 641 NE2 GLN A 40 -0.763 17.612 5.483 1.00 2.34 N ATOM 0 H GLN A 40 3.459 18.606 4.104 1.00 75.44 H new ATOM 0 HA GLN A 40 2.094 16.242 4.386 1.00 33.21 H new ATOM 0 HB2 GLN A 40 2.187 18.278 2.144 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.123 16.888 2.065 1.00 44.22 H new ATOM 0 HG2 GLN A 40 1.057 18.939 4.311 1.00 34.02 H new ATOM 0 HG3 GLN A 40 0.044 19.020 2.883 1.00 34.02 H new ATOM 0 HE21 GLN A 40 -0.326 18.375 5.999 1.00 2.34 H new ATOM 0 HE22 GLN A 40 -1.443 17.008 5.945 1.00 2.34 H new ATOM 650 N LEU A 41 4.233 16.223 1.844 1.00 41.12 N ATOM 651 CA LEU A 41 4.920 15.459 0.843 1.00 15.34 C ATOM 652 C LEU A 41 5.622 14.271 1.484 1.00 23.34 C ATOM 653 O LEU A 41 5.328 13.134 1.106 1.00 52.42 O ATOM 654 CB LEU A 41 5.861 16.409 0.086 1.00 21.03 C ATOM 655 CG LEU A 41 5.319 16.825 -1.295 1.00 0.11 C ATOM 656 CD1 LEU A 41 3.911 17.429 -1.233 1.00 22.31 C ATOM 657 CD2 LEU A 41 6.266 17.851 -1.925 1.00 65.33 C ATOM 0 H LEU A 41 4.517 17.202 1.861 1.00 41.12 H new ATOM 0 HA LEU A 41 4.230 15.030 0.116 1.00 15.34 H new ATOM 0 HB2 LEU A 41 6.027 17.302 0.688 1.00 21.03 H new ATOM 0 HB3 LEU A 41 6.830 15.926 -0.041 1.00 21.03 H new ATOM 0 HG LEU A 41 5.260 15.917 -1.896 1.00 0.11 H new ATOM 0 HD11 LEU A 41 3.587 17.701 -2.238 1.00 22.31 H new ATOM 0 HD12 LEU A 41 3.220 16.698 -0.814 1.00 22.31 H new ATOM 0 HD13 LEU A 41 3.924 18.318 -0.603 1.00 22.31 H new ATOM 0 HD21 LEU A 41 5.884 18.147 -2.902 1.00 65.33 H new ATOM 0 HD22 LEU A 41 6.333 18.728 -1.281 1.00 65.33 H new ATOM 0 HD23 LEU A 41 7.256 17.410 -2.041 1.00 65.33 H new ATOM 669 N GLU A 42 6.529 14.507 2.431 1.00 33.24 N ATOM 670 CA GLU A 42 7.270 13.420 3.065 1.00 33.03 C ATOM 671 C GLU A 42 6.386 12.569 3.970 1.00 40.42 C ATOM 672 O GLU A 42 6.704 11.389 4.159 1.00 21.43 O ATOM 673 CB GLU A 42 8.488 13.949 3.833 1.00 30.51 C ATOM 674 CG GLU A 42 9.721 14.079 2.933 1.00 14.32 C ATOM 675 CD GLU A 42 10.401 12.729 2.653 1.00 3.02 C ATOM 676 OE1 GLU A 42 9.863 11.917 1.864 1.00 44.20 O ATOM 677 OE2 GLU A 42 11.524 12.506 3.170 1.00 2.14 O1- ATOM 0 H GLU A 42 6.767 15.438 2.774 1.00 33.24 H new ATOM 0 HA GLU A 42 7.627 12.774 2.262 1.00 33.03 H new ATOM 0 HB2 GLU A 42 8.250 14.921 4.265 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.713 13.278 4.662 1.00 30.51 H new ATOM 0 HG2 GLU A 42 9.428 14.536 1.988 1.00 14.32 H new ATOM 0 HG3 GLU A 42 10.439 14.751 3.403 1.00 14.32 H new ATOM 684 N HIS A 43 5.297 13.112 4.527 1.00 44.33 N ATOM 685 CA HIS A 43 4.323 12.311 5.255 1.00 44.01 C ATOM 686 C HIS A 43 3.764 11.231 4.328 1.00 54.41 C ATOM 687 O HIS A 43 3.846 10.043 4.652 1.00 14.03 O ATOM 688 CB HIS A 43 3.222 13.199 5.853 1.00 30.04 C ATOM 689 CG HIS A 43 2.670 12.675 7.155 1.00 15.00 C ATOM 690 ND1 HIS A 43 2.256 11.401 7.427 1.00 21.13 N flip ATOM 691 CD2 HIS A 43 2.534 13.409 8.310 1.00 25.41 C flip ATOM 692 CE1 HIS A 43 1.841 11.360 8.766 1.00 13.25 C flip ATOM 693 NE2 HIS A 43 2.024 12.603 9.254 1.00 71.41 N flip ATOM 0 H HIS A 43 5.073 14.106 4.484 1.00 44.33 H new ATOM 0 HA HIS A 43 4.808 11.816 6.096 1.00 44.01 H new ATOM 0 HB2 HIS A 43 3.621 14.201 6.013 1.00 30.04 H new ATOM 0 HB3 HIS A 43 2.409 13.291 5.133 1.00 30.04 H new ATOM 0 HD2 HIS A 43 2.792 14.450 8.435 1.00 25.41 H new ATOM 0 HE1 HIS A 43 1.453 10.505 9.299 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.805 12.891 10.208 1.00 71.41 H new ATOM 701 N THR A 44 3.258 11.615 3.150 1.00 62.13 N ATOM 702 CA THR A 44 2.743 10.673 2.168 1.00 71.14 C ATOM 703 C THR A 44 3.815 9.637 1.804 1.00 32.51 C ATOM 704 O THR A 44 3.496 8.455 1.720 1.00 73.14 O ATOM 705 CB THR A 44 2.258 11.430 0.920 1.00 22.00 C ATOM 706 OG1 THR A 44 1.436 12.528 1.255 1.00 22.10 O ATOM 707 CG2 THR A 44 1.494 10.548 -0.069 1.00 62.22 C ATOM 0 H THR A 44 3.197 12.590 2.857 1.00 62.13 H new ATOM 0 HA THR A 44 1.895 10.139 2.598 1.00 71.14 H new ATOM 0 HB THR A 44 3.173 11.778 0.440 1.00 22.00 H new ATOM 0 HG1 THR A 44 1.990 13.257 1.604 1.00 22.10 H new ATOM 0 HG21 THR A 44 1.182 11.147 -0.925 1.00 62.22 H new ATOM 0 HG22 THR A 44 2.140 9.739 -0.409 1.00 62.22 H new ATOM 0 HG23 THR A 44 0.615 10.129 0.421 1.00 62.22 H new ATOM 715 N ARG A 45 5.079 10.036 1.588 1.00 24.01 N ATOM 716 CA ARG A 45 6.126 9.106 1.138 1.00 72.21 C ATOM 717 C ARG A 45 6.439 8.071 2.209 1.00 64.44 C ATOM 718 O ARG A 45 6.468 6.880 1.898 1.00 71.53 O ATOM 719 CB ARG A 45 7.420 9.823 0.701 1.00 64.22 C ATOM 720 CG ARG A 45 7.379 10.280 -0.766 1.00 11.44 C ATOM 721 CD ARG A 45 6.526 11.531 -0.935 1.00 54.04 C ATOM 722 NE ARG A 45 6.237 11.917 -2.328 1.00 4.24 N ATOM 723 CZ ARG A 45 5.221 12.731 -2.665 1.00 42.41 C ATOM 724 NH1 ARG A 45 4.463 13.260 -1.708 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 4.995 13.013 -3.942 1.00 0.40 N ATOM 0 H ARG A 45 5.400 10.996 1.718 1.00 24.01 H new ATOM 0 HA ARG A 45 5.724 8.602 0.259 1.00 72.21 H new ATOM 0 HB2 ARG A 45 7.585 10.689 1.342 1.00 64.22 H new ATOM 0 HB3 ARG A 45 8.268 9.153 0.845 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.392 10.479 -1.115 1.00 11.44 H new ATOM 0 HG3 ARG A 45 6.979 9.479 -1.387 1.00 11.44 H new ATOM 0 HD2 ARG A 45 5.580 11.378 -0.415 1.00 54.04 H new ATOM 0 HD3 ARG A 45 7.030 12.363 -0.443 1.00 54.04 H new ATOM 0 HE ARG A 45 6.834 11.550 -3.069 1.00 4.24 H new ATOM 0 HH11 ARG A 45 4.655 13.047 -0.729 1.00 25.00 H new ATOM 0 HH12 ARG A 45 3.690 13.879 -1.953 1.00 25.00 H new ATOM 0 HH21 ARG A 45 5.591 12.612 -4.666 1.00 0.40 H new ATOM 0 HH22 ARG A 45 4.225 13.630 -4.199 1.00 0.40 H new ATOM 739 N GLN A 46 6.674 8.509 3.445 1.00 54.25 N ATOM 740 CA GLN A 46 6.918 7.608 4.559 1.00 14.35 C ATOM 741 C GLN A 46 5.751 6.637 4.749 1.00 34.32 C ATOM 742 O GLN A 46 5.973 5.442 4.931 1.00 63.33 O ATOM 743 CB GLN A 46 7.187 8.432 5.820 1.00 1.03 C ATOM 744 CG GLN A 46 8.647 8.914 5.846 1.00 71.03 C ATOM 745 CD GLN A 46 9.637 7.772 6.091 1.00 64.21 C ATOM 746 OE1 GLN A 46 10.599 7.578 5.353 1.00 2.51 O ATOM 747 NE2 GLN A 46 9.430 6.959 7.112 1.00 72.22 N ATOM 0 H GLN A 46 6.700 9.497 3.697 1.00 54.25 H new ATOM 0 HA GLN A 46 7.796 6.998 4.347 1.00 14.35 H new ATOM 0 HB2 GLN A 46 6.514 9.289 5.852 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.980 7.831 6.705 1.00 1.03 H new ATOM 0 HG2 GLN A 46 8.883 9.398 4.899 1.00 71.03 H new ATOM 0 HG3 GLN A 46 8.764 9.666 6.626 1.00 71.03 H new ATOM 0 HE21 GLN A 46 8.634 7.111 7.732 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.066 6.180 7.281 1.00 72.22 H new ATOM 756 N CYS A 47 4.509 7.120 4.687 1.00 43.24 N ATOM 757 CA CYS A 47 3.340 6.267 4.761 1.00 44.42 C ATOM 758 C CYS A 47 3.273 5.286 3.581 1.00 2.22 C ATOM 759 O CYS A 47 2.988 4.113 3.810 1.00 63.24 O ATOM 760 CB CYS A 47 2.122 7.179 4.859 1.00 3.33 C ATOM 761 SG CYS A 47 2.053 7.816 6.559 1.00 22.35 S ATOM 0 H CYS A 47 4.294 8.112 4.584 1.00 43.24 H new ATOM 0 HA CYS A 47 3.382 5.627 5.642 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.199 7.999 4.145 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.212 6.630 4.618 1.00 3.33 H new ATOM 0 HG CYS A 47 2.194 9.108 6.544 1.00 22.35 H new ATOM 767 N LEU A 48 3.580 5.724 2.356 1.00 4.13 N ATOM 768 CA LEU A 48 3.624 4.898 1.148 1.00 3.12 C ATOM 769 C LEU A 48 4.521 3.685 1.376 1.00 50.02 C ATOM 770 O LEU A 48 4.093 2.554 1.142 1.00 33.14 O ATOM 771 CB LEU A 48 4.134 5.721 -0.057 1.00 72.14 C ATOM 772 CG LEU A 48 3.068 6.007 -1.125 1.00 60.44 C ATOM 773 CD1 LEU A 48 3.553 7.151 -2.025 1.00 73.51 C ATOM 774 CD2 LEU A 48 2.821 4.763 -1.985 1.00 44.04 C ATOM 0 H LEU A 48 3.813 6.700 2.173 1.00 4.13 H new ATOM 0 HA LEU A 48 2.614 4.555 0.926 1.00 3.12 H new ATOM 0 HB2 LEU A 48 4.530 6.669 0.307 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.963 5.187 -0.522 1.00 72.14 H new ATOM 0 HG LEU A 48 2.138 6.284 -0.629 1.00 60.44 H new ATOM 0 HD11 LEU A 48 2.801 7.359 -2.786 1.00 73.51 H new ATOM 0 HD12 LEU A 48 3.716 8.044 -1.422 1.00 73.51 H new ATOM 0 HD13 LEU A 48 4.487 6.863 -2.508 1.00 73.51 H new ATOM 0 HD21 LEU A 48 2.063 4.985 -2.736 1.00 44.04 H new ATOM 0 HD22 LEU A 48 3.748 4.473 -2.480 1.00 44.04 H new ATOM 0 HD23 LEU A 48 2.476 3.945 -1.352 1.00 44.04 H new ATOM 786 N ILE A 49 5.775 3.912 1.788 1.00 4.15 N ATOM 787 CA ILE A 49 6.707 2.831 2.043 1.00 22.35 C ATOM 788 C ILE A 49 6.231 1.939 3.185 1.00 73.31 C ATOM 789 O ILE A 49 6.232 0.727 2.996 1.00 54.42 O ATOM 790 CB ILE A 49 8.173 3.299 2.158 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.442 4.237 3.349 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.609 3.931 0.819 1.00 45.11 C ATOM 793 CD1 ILE A 49 9.915 4.625 3.503 1.00 33.54 C ATOM 0 H ILE A 49 6.159 4.843 1.949 1.00 4.15 H new ATOM 0 HA ILE A 49 6.714 2.196 1.157 1.00 22.35 H new ATOM 0 HB ILE A 49 8.780 2.418 2.366 1.00 2.24 H new ATOM 0 HG12 ILE A 49 7.847 5.142 3.229 1.00 3.42 H new ATOM 0 HG13 ILE A 49 8.105 3.753 4.265 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.644 4.264 0.894 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.522 3.192 0.022 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.969 4.784 0.594 1.00 45.11 H new ATOM 0 HD11 ILE A 49 10.029 5.287 4.362 1.00 33.54 H new ATOM 0 HD12 ILE A 49 10.514 3.727 3.655 1.00 33.54 H new ATOM 0 HD13 ILE A 49 10.252 5.138 2.602 1.00 33.54 H new ATOM 805 N LYS A 50 5.739 2.491 4.302 1.00 54.03 N ATOM 806 CA LYS A 50 5.278 1.695 5.430 1.00 10.45 C ATOM 807 C LYS A 50 4.166 0.759 4.996 1.00 65.14 C ATOM 808 O LYS A 50 4.181 -0.410 5.379 1.00 21.01 O ATOM 809 CB LYS A 50 4.784 2.623 6.558 1.00 64.21 C ATOM 810 CG LYS A 50 5.532 2.428 7.882 1.00 11.34 C ATOM 811 CD LYS A 50 6.823 3.256 7.921 1.00 30.02 C ATOM 812 CE LYS A 50 7.481 3.167 9.304 1.00 53.21 C ATOM 813 NZ LYS A 50 8.625 4.091 9.411 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.653 3.498 4.442 1.00 54.03 H new ATOM 0 HA LYS A 50 6.109 1.095 5.802 1.00 10.45 H new ATOM 0 HB2 LYS A 50 4.892 3.659 6.238 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.721 2.449 6.722 1.00 64.21 H new ATOM 0 HG2 LYS A 50 4.887 2.717 8.712 1.00 11.34 H new ATOM 0 HG3 LYS A 50 5.770 1.373 8.015 1.00 11.34 H new ATOM 0 HD2 LYS A 50 7.515 2.896 7.159 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.601 4.297 7.684 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.747 3.402 10.075 1.00 53.21 H new ATOM 0 HE3 LYS A 50 7.817 2.146 9.485 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 9.050 4.009 10.357 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 9.335 3.850 8.690 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.298 5.067 9.262 1.00 51.25 H new ATOM 827 N ILE A 51 3.188 1.267 4.244 1.00 24.51 N ATOM 828 CA ILE A 51 2.074 0.471 3.761 1.00 1.44 C ATOM 829 C ILE A 51 2.649 -0.650 2.896 1.00 1.23 C ATOM 830 O ILE A 51 2.409 -1.828 3.170 1.00 42.41 O ATOM 831 CB ILE A 51 1.058 1.351 2.998 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.310 2.291 3.969 1.00 72.01 C ATOM 833 CG2 ILE A 51 0.044 0.465 2.258 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.400 3.448 3.248 1.00 62.13 C ATOM 0 H ILE A 51 3.152 2.245 3.956 1.00 24.51 H new ATOM 0 HA ILE A 51 1.519 0.033 4.591 1.00 1.44 H new ATOM 0 HB ILE A 51 1.606 1.956 2.276 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.424 1.715 4.532 1.00 72.01 H new ATOM 0 HG13 ILE A 51 1.018 2.698 4.691 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.667 1.095 1.724 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.569 -0.173 1.547 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.490 -0.156 2.977 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.909 4.075 3.980 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.334 4.044 2.706 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.130 3.046 2.546 1.00 62.13 H new ATOM 846 N GLY A 52 3.385 -0.283 1.844 1.00 60.25 N ATOM 847 CA GLY A 52 3.852 -1.220 0.838 1.00 12.12 C ATOM 848 C GLY A 52 4.730 -2.313 1.440 1.00 41.42 C ATOM 849 O GLY A 52 4.653 -3.465 0.996 1.00 1.12 O ATOM 0 H GLY A 52 3.672 0.681 1.672 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.995 -1.675 0.341 1.00 12.12 H new ATOM 0 HA3 GLY A 52 4.414 -0.682 0.075 1.00 12.12 H new ATOM 853 N ASP A 53 5.531 -1.964 2.441 1.00 15.43 N ATOM 854 CA ASP A 53 6.393 -2.863 3.184 1.00 23.03 C ATOM 855 C ASP A 53 5.556 -3.836 3.998 1.00 4.51 C ATOM 856 O ASP A 53 5.704 -5.043 3.814 1.00 64.45 O ATOM 857 CB ASP A 53 7.366 -2.062 4.070 1.00 51.04 C ATOM 858 CG ASP A 53 8.603 -1.588 3.298 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.989 -2.239 2.296 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 9.217 -0.571 3.685 1.00 2.34 O ATOM 0 H ASP A 53 5.597 -1.000 2.768 1.00 15.43 H new ATOM 0 HA ASP A 53 6.993 -3.446 2.485 1.00 23.03 H new ATOM 0 HB2 ASP A 53 6.847 -1.198 4.486 1.00 51.04 H new ATOM 0 HB3 ASP A 53 7.680 -2.680 4.911 1.00 51.04 H new ATOM 865 N HIS A 54 4.644 -3.347 4.847 1.00 4.14 N ATOM 866 CA HIS A 54 3.833 -4.223 5.689 1.00 61.14 C ATOM 867 C HIS A 54 2.911 -5.122 4.844 1.00 71.00 C ATOM 868 O HIS A 54 2.624 -6.247 5.257 1.00 13.33 O ATOM 869 CB HIS A 54 3.033 -3.371 6.680 1.00 31.12 C ATOM 870 CG HIS A 54 3.818 -2.816 7.837 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.458 -1.602 7.859 1.00 41.41 N ATOM 872 CD2 HIS A 54 3.878 -3.344 9.096 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.886 -1.384 9.113 1.00 33.05 C ATOM 874 NE2 HIS A 54 4.552 -2.418 9.904 1.00 52.53 N ATOM 0 H HIS A 54 4.452 -2.352 4.966 1.00 4.14 H new ATOM 0 HA HIS A 54 4.492 -4.889 6.246 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.583 -2.540 6.137 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.216 -3.975 7.074 1.00 31.12 H new ATOM 0 HD1 HIS A 54 4.586 -0.976 7.064 1.00 41.41 H new ATOM 0 HD2 HIS A 54 3.480 -4.298 9.410 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.421 -0.505 9.439 1.00 33.05 H new ATOM 882 N ILE A 55 2.480 -4.670 3.655 1.00 14.30 N ATOM 883 CA ILE A 55 1.809 -5.505 2.666 1.00 11.25 C ATOM 884 C ILE A 55 2.768 -6.626 2.263 1.00 40.53 C ATOM 885 O ILE A 55 2.394 -7.794 2.337 1.00 21.05 O ATOM 886 CB ILE A 55 1.301 -4.653 1.474 1.00 51.10 C ATOM 887 CG1 ILE A 55 0.098 -3.780 1.895 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.923 -5.475 0.227 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.411 -2.824 0.808 1.00 63.25 C ATOM 0 H ILE A 55 2.593 -3.701 3.357 1.00 14.30 H new ATOM 0 HA ILE A 55 0.913 -5.964 3.083 1.00 11.25 H new ATOM 0 HB ILE A 55 2.146 -4.025 1.193 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.720 -4.434 2.197 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.379 -3.196 2.771 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.578 -4.804 -0.560 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.795 -6.027 -0.123 1.00 13.04 H new ATOM 0 HG23 ILE A 55 0.128 -6.176 0.481 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.256 -2.252 1.193 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.389 -2.141 0.521 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.728 -3.398 -0.062 1.00 63.25 H new ATOM 901 N THR A 56 3.976 -6.286 1.807 1.00 5.22 N ATOM 902 CA THR A 56 4.938 -7.258 1.304 1.00 13.14 C ATOM 903 C THR A 56 5.215 -8.368 2.332 1.00 44.41 C ATOM 904 O THR A 56 5.150 -9.547 1.963 1.00 3.10 O ATOM 905 CB THR A 56 6.200 -6.523 0.822 1.00 23.42 C ATOM 906 OG1 THR A 56 5.820 -5.593 -0.181 1.00 70.12 O ATOM 907 CG2 THR A 56 7.241 -7.465 0.215 1.00 44.22 C ATOM 0 H THR A 56 4.312 -5.323 1.778 1.00 5.22 H new ATOM 0 HA THR A 56 4.519 -7.779 0.443 1.00 13.14 H new ATOM 0 HB THR A 56 6.648 -6.041 1.691 1.00 23.42 H new ATOM 0 HG1 THR A 56 5.481 -4.776 0.242 1.00 70.12 H new ATOM 0 HG21 THR A 56 8.109 -6.889 -0.107 1.00 44.22 H new ATOM 0 HG22 THR A 56 7.548 -8.197 0.962 1.00 44.22 H new ATOM 0 HG23 THR A 56 6.809 -7.980 -0.643 1.00 44.22 H new ATOM 915 N GLU A 57 5.461 -8.007 3.595 1.00 33.02 N ATOM 916 CA GLU A 57 5.749 -8.970 4.656 1.00 24.11 C ATOM 917 C GLU A 57 4.625 -10.001 4.760 1.00 32.24 C ATOM 918 O GLU A 57 4.885 -11.200 4.825 1.00 3.40 O ATOM 919 CB GLU A 57 5.882 -8.272 6.016 1.00 61.11 C ATOM 920 CG GLU A 57 7.061 -7.310 6.166 1.00 73.54 C ATOM 921 CD GLU A 57 7.147 -6.846 7.620 1.00 61.31 C ATOM 922 OE1 GLU A 57 6.269 -6.053 8.041 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 8.055 -7.285 8.362 1.00 1.40 O ATOM 0 H GLU A 57 5.465 -7.036 3.908 1.00 33.02 H new ATOM 0 HA GLU A 57 6.690 -9.459 4.402 1.00 24.11 H new ATOM 0 HB2 GLU A 57 4.962 -7.720 6.210 1.00 61.11 H new ATOM 0 HB3 GLU A 57 5.963 -9.037 6.788 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.988 -7.803 5.873 1.00 73.54 H new ATOM 0 HG3 GLU A 57 6.933 -6.453 5.505 1.00 73.54 H new ATOM 930 N CYS A 58 3.376 -9.533 4.773 1.00 11.34 N ATOM 931 CA CYS A 58 2.203 -10.381 4.892 1.00 0.31 C ATOM 932 C CYS A 58 2.027 -11.303 3.698 1.00 73.23 C ATOM 933 O CYS A 58 1.580 -12.431 3.840 1.00 13.34 O ATOM 934 CB CYS A 58 0.963 -9.504 5.006 1.00 31.54 C ATOM 935 SG CYS A 58 0.694 -9.132 6.756 1.00 43.24 S ATOM 0 H CYS A 58 3.154 -8.540 4.700 1.00 11.34 H new ATOM 0 HA CYS A 58 2.340 -10.999 5.779 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.095 -8.583 4.437 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.096 -10.015 4.588 1.00 31.54 H new ATOM 0 HG CYS A 58 0.322 -7.893 6.884 1.00 43.24 H new ATOM 941 N LEU A 59 2.306 -10.826 2.495 1.00 64.12 N ATOM 942 CA LEU A 59 2.190 -11.654 1.302 1.00 53.20 C ATOM 943 C LEU A 59 3.252 -12.748 1.308 1.00 72.32 C ATOM 944 O LEU A 59 2.981 -13.830 0.803 1.00 72.00 O ATOM 945 CB LEU A 59 2.299 -10.816 0.029 1.00 14.43 C ATOM 946 CG LEU A 59 1.250 -9.700 -0.038 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.700 -8.652 -1.052 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.108 -10.288 -0.388 1.00 3.53 C ATOM 0 H LEU A 59 2.614 -9.870 2.318 1.00 64.12 H new ATOM 0 HA LEU A 59 1.204 -12.119 1.314 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.295 -10.376 -0.027 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.188 -11.466 -0.839 1.00 14.43 H new ATOM 0 HG LEU A 59 1.152 -9.212 0.932 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.958 -7.855 -1.105 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.659 -8.236 -0.744 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.805 -9.116 -2.033 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -0.849 -9.490 -0.434 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.050 -10.786 -1.356 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.399 -11.010 0.375 1.00 3.53 H new ATOM 960 N LYS A 60 4.441 -12.492 1.866 1.00 42.43 N ATOM 961 CA LYS A 60 5.450 -13.535 2.075 1.00 35.12 C ATOM 962 C LYS A 60 5.054 -14.554 3.162 1.00 40.54 C ATOM 963 O LYS A 60 5.786 -15.528 3.349 1.00 41.41 O ATOM 964 CB LYS A 60 6.813 -12.882 2.356 1.00 54.12 C ATOM 965 CG LYS A 60 7.531 -12.432 1.064 1.00 34.15 C ATOM 966 CD LYS A 60 8.026 -10.976 1.132 1.00 11.14 C ATOM 967 CE LYS A 60 9.346 -10.706 0.395 1.00 52.11 C ATOM 968 NZ LYS A 60 9.368 -11.128 -1.022 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.728 -11.566 2.182 1.00 42.43 H new ATOM 0 HA LYS A 60 5.522 -14.120 1.158 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.672 -12.020 3.008 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.447 -13.588 2.893 1.00 54.12 H new ATOM 0 HG2 LYS A 60 8.379 -13.091 0.877 1.00 34.15 H new ATOM 0 HG3 LYS A 60 6.851 -12.540 0.219 1.00 34.15 H new ATOM 0 HD2 LYS A 60 7.256 -10.326 0.717 1.00 11.14 H new ATOM 0 HD3 LYS A 60 8.148 -10.698 2.179 1.00 11.14 H new ATOM 0 HE2 LYS A 60 9.560 -9.638 0.444 1.00 52.11 H new ATOM 0 HE3 LYS A 60 10.151 -11.217 0.923 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 10.296 -10.906 -1.436 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.198 -12.152 -1.082 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 8.626 -10.622 -1.546 1.00 72.35 H new ATOM 982 N GLU A 61 3.903 -14.414 3.835 1.00 54.21 N ATOM 983 CA GLU A 61 3.300 -15.503 4.592 1.00 54.40 C ATOM 984 C GLU A 61 3.022 -16.670 3.649 1.00 62.01 C ATOM 985 O GLU A 61 3.384 -17.816 3.937 1.00 3.42 O ATOM 986 CB GLU A 61 2.008 -14.984 5.246 1.00 64.41 C ATOM 987 CG GLU A 61 1.498 -15.757 6.460 1.00 21.14 C ATOM 988 CD GLU A 61 1.126 -17.219 6.206 1.00 34.24 C ATOM 989 OE1 GLU A 61 0.139 -17.521 5.500 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.846 -18.101 6.714 1.00 3.14 O ATOM 0 H GLU A 61 3.371 -13.544 3.866 1.00 54.21 H new ATOM 0 HA GLU A 61 3.970 -15.855 5.376 1.00 54.40 H new ATOM 0 HB2 GLU A 61 2.170 -13.948 5.545 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.222 -14.979 4.491 1.00 64.41 H new ATOM 0 HG2 GLU A 61 2.263 -15.725 7.236 1.00 21.14 H new ATOM 0 HG3 GLU A 61 0.622 -15.242 6.855 1.00 21.14 H new ATOM 997 N TYR A 62 2.380 -16.385 2.516 1.00 60.23 N ATOM 998 CA TYR A 62 1.788 -17.419 1.697 1.00 13.04 C ATOM 999 C TYR A 62 2.854 -18.030 0.805 1.00 13.02 C ATOM 1000 O TYR A 62 3.611 -17.322 0.135 1.00 51.53 O ATOM 1001 CB TYR A 62 0.627 -16.865 0.876 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.302 -15.946 1.634 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -1.002 -16.465 2.733 1.00 33.43 C ATOM 1004 CD2 TYR A 62 -0.452 -14.590 1.271 1.00 21.24 C ATOM 1005 CE1 TYR A 62 -1.920 -15.675 3.430 1.00 41.42 C ATOM 1006 CE2 TYR A 62 -1.355 -13.783 1.987 1.00 62.34 C ATOM 1007 CZ TYR A 62 -2.102 -14.329 3.057 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.004 -13.581 3.745 1.00 10.34 O ATOM 0 H TYR A 62 2.261 -15.440 2.151 1.00 60.23 H new ATOM 0 HA TYR A 62 1.383 -18.199 2.342 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.031 -16.325 0.020 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.048 -17.700 0.482 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.830 -17.485 3.044 1.00 33.43 H new ATOM 0 HD2 TYR A 62 0.120 -14.177 0.453 1.00 21.24 H new ATOM 0 HE1 TYR A 62 -2.486 -16.094 4.249 1.00 41.42 H new ATOM 0 HE2 TYR A 62 -1.478 -12.744 1.719 1.00 62.34 H new ATOM 0 HH TYR A 62 -3.813 -13.465 3.205 1.00 10.34 H new ATOM 1018 N THR A 63 2.891 -19.352 0.765 1.00 43.11 N ATOM 1019 CA THR A 63 3.673 -20.088 -0.211 1.00 35.33 C ATOM 1020 C THR A 63 2.937 -20.012 -1.558 1.00 12.01 C ATOM 1021 O THR A 63 3.541 -19.594 -2.554 1.00 41.13 O ATOM 1022 CB THR A 63 4.022 -21.506 0.282 1.00 2.33 C ATOM 1023 OG1 THR A 63 4.396 -22.323 -0.809 1.00 32.45 O ATOM 1024 CG2 THR A 63 2.892 -22.134 1.084 1.00 31.03 C ATOM 0 H THR A 63 2.375 -19.947 1.414 1.00 43.11 H new ATOM 0 HA THR A 63 4.655 -19.637 -0.355 1.00 35.33 H new ATOM 0 HB THR A 63 4.870 -21.421 0.962 1.00 2.33 H new ATOM 0 HG1 THR A 63 4.617 -23.221 -0.485 1.00 32.45 H new ATOM 0 HG21 THR A 63 3.187 -23.132 1.408 1.00 31.03 H new ATOM 0 HG22 THR A 63 2.679 -21.517 1.957 1.00 31.03 H new ATOM 0 HG23 THR A 63 2.000 -22.204 0.462 1.00 31.03 H new ATOM 1032 N ASN A 64 1.646 -20.371 -1.579 1.00 22.12 N ATOM 1033 CA ASN A 64 0.882 -20.683 -2.789 1.00 20.34 C ATOM 1034 C ASN A 64 0.894 -19.521 -3.794 1.00 62.22 C ATOM 1035 O ASN A 64 0.734 -18.369 -3.382 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.591 -20.955 -2.422 1.00 73.21 C ATOM 1037 CG ASN A 64 -1.021 -22.410 -2.419 1.00 21.22 C ATOM 1038 OD1 ASN A 64 -0.213 -23.335 -2.335 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -2.316 -22.637 -2.546 1.00 53.22 N ATOM 0 H ASN A 64 1.090 -20.454 -0.728 1.00 22.12 H new ATOM 0 HA ASN A 64 1.351 -21.557 -3.241 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.780 -20.539 -1.432 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -1.225 -20.411 -3.122 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -2.665 -23.595 -2.576 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -2.967 -21.854 -2.614 1.00 53.22 H new ATOM 1046 N PRO A 65 0.922 -19.804 -5.109 1.00 2.25 N ATOM 1047 CA PRO A 65 0.939 -18.784 -6.151 1.00 15.53 C ATOM 1048 C PRO A 65 -0.411 -18.058 -6.269 1.00 14.03 C ATOM 1049 O PRO A 65 -0.449 -16.855 -6.540 1.00 64.50 O ATOM 1050 CB PRO A 65 1.290 -19.537 -7.438 1.00 31.12 C ATOM 1051 CG PRO A 65 0.739 -20.937 -7.184 1.00 31.01 C ATOM 1052 CD PRO A 65 1.017 -21.131 -5.700 1.00 54.11 C ATOM 0 HA PRO A 65 1.661 -17.998 -5.930 1.00 15.53 H new ATOM 0 HB2 PRO A 65 0.831 -19.076 -8.312 1.00 31.12 H new ATOM 0 HB3 PRO A 65 2.366 -19.553 -7.614 1.00 31.12 H new ATOM 0 HG2 PRO A 65 -0.325 -21.002 -7.410 1.00 31.01 H new ATOM 0 HG3 PRO A 65 1.241 -21.688 -7.793 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.295 -21.813 -5.251 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.005 -21.562 -5.539 1.00 54.11 H new ATOM 1060 N GLU A 66 -1.520 -18.779 -6.075 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.845 -18.201 -6.142 1.00 32.01 C ATOM 1062 C GLU A 66 -3.052 -17.227 -4.977 1.00 34.31 C ATOM 1063 O GLU A 66 -3.490 -16.100 -5.227 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.925 -19.280 -6.300 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.936 -20.451 -5.312 1.00 24.12 C ATOM 1066 CD GLU A 66 -4.509 -20.066 -3.955 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -5.702 -19.644 -3.917 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -3.771 -20.227 -2.974 1.00 45.54 O1- ATOM 0 H GLU A 66 -1.513 -19.778 -5.868 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.944 -17.601 -7.046 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -4.896 -18.788 -6.243 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -3.836 -19.694 -7.304 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -4.522 -21.269 -5.731 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -2.919 -20.821 -5.181 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.678 -17.613 -3.749 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.756 -16.794 -2.553 1.00 44.41 C ATOM 1077 C GLN A 67 -1.917 -15.537 -2.741 1.00 71.14 C ATOM 1078 O GLN A 67 -2.476 -14.441 -2.691 1.00 63.51 O ATOM 1079 CB GLN A 67 -2.267 -17.598 -1.334 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.371 -17.991 -0.343 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.883 -19.057 0.643 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -2.529 -20.167 0.264 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -2.804 -18.769 1.928 1.00 3.24 N ATOM 0 H GLN A 67 -2.300 -18.542 -3.565 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.791 -16.501 -2.378 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.774 -18.504 -1.687 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.515 -17.011 -0.806 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.700 -17.109 0.206 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -4.236 -18.367 -0.890 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -3.094 -17.850 2.264 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -2.453 -19.465 2.586 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.599 -15.670 -2.954 1.00 1.22 N ATOM 1093 CA ILE A 68 0.279 -14.510 -3.081 1.00 12.50 C ATOM 1094 C ILE A 68 -0.265 -13.565 -4.158 1.00 71.12 C ATOM 1095 O ILE A 68 -0.330 -12.363 -3.902 1.00 55.41 O ATOM 1096 CB ILE A 68 1.763 -14.874 -3.321 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.021 -15.717 -4.575 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.373 -15.586 -2.118 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.391 -14.881 -5.794 1.00 33.44 C ATOM 0 H ILE A 68 -0.124 -16.569 -3.041 1.00 1.22 H new ATOM 0 HA ILE A 68 0.275 -13.995 -2.120 1.00 12.50 H new ATOM 0 HB ILE A 68 2.246 -13.909 -3.476 1.00 33.42 H new ATOM 0 HG12 ILE A 68 2.824 -16.425 -4.370 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.130 -16.303 -4.801 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.416 -15.825 -2.327 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.317 -14.937 -1.244 1.00 13.44 H new ATOM 0 HG23 ILE A 68 1.823 -16.506 -1.922 1.00 13.44 H new ATOM 0 HD11 ILE A 68 2.561 -15.537 -6.647 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.578 -14.191 -6.022 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.299 -14.315 -5.585 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.692 -14.057 -5.339 1.00 64.12 N ATOM 1112 CA LYS A 69 -1.180 -13.151 -6.381 1.00 12.30 C ATOM 1113 C LYS A 69 -2.450 -12.444 -5.913 1.00 53.31 C ATOM 1114 O LYS A 69 -2.518 -11.216 -6.018 1.00 62.25 O ATOM 1115 CB LYS A 69 -1.373 -13.869 -7.733 1.00 34.45 C ATOM 1116 CG LYS A 69 -2.078 -12.926 -8.730 1.00 41.45 C ATOM 1117 CD LYS A 69 -2.152 -13.422 -10.176 1.00 30.22 C ATOM 1118 CE LYS A 69 -0.879 -13.096 -10.963 1.00 41.34 C ATOM 1119 NZ LYS A 69 -1.140 -13.150 -12.413 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.707 -15.047 -5.584 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.417 -12.392 -6.554 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.407 -14.178 -8.132 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -1.965 -14.774 -7.593 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -3.093 -12.745 -8.375 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -1.562 -11.966 -8.721 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -2.315 -14.500 -10.181 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -3.010 -12.968 -10.671 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -0.519 -12.104 -10.689 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -0.092 -13.804 -10.703 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -0.267 -12.927 -12.932 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -1.462 -14.104 -12.672 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -1.876 -12.457 -12.659 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.450 -13.201 -5.454 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.753 -12.665 -5.085 1.00 72.22 C ATOM 1135 C GLN A 70 -4.556 -11.590 -4.020 1.00 73.44 C ATOM 1136 O GLN A 70 -4.948 -10.436 -4.197 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.664 -13.799 -4.611 1.00 55.12 C ATOM 1138 CG GLN A 70 -7.138 -13.386 -4.658 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.890 -14.111 -3.558 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.672 -13.666 -2.337 1.00 54.22 O flip ATOM 1141 NE2 GLN A 70 -8.594 -15.098 -3.771 1.00 61.54 N flip ATOM 0 H GLN A 70 -3.373 -14.210 -5.329 1.00 15.42 H new ATOM 0 HA GLN A 70 -5.241 -12.204 -5.944 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.510 -14.678 -5.237 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.396 -14.082 -3.593 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -7.231 -12.308 -4.530 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.566 -13.629 -5.630 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.745 -15.420 -4.727 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -9.026 -15.594 -2.991 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.906 -11.957 -2.919 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.661 -11.055 -1.818 1.00 1.41 C ATOM 1152 C TRP A 71 -2.800 -9.868 -2.235 1.00 43.13 C ATOM 1153 O TRP A 71 -3.067 -8.762 -1.757 1.00 3.23 O ATOM 1154 CB TRP A 71 -3.061 -11.833 -0.650 1.00 34.40 C ATOM 1155 CG TRP A 71 -4.035 -12.741 0.021 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.974 -14.088 0.092 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -5.217 -12.353 0.770 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -5.043 -14.557 0.824 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.794 -13.527 1.331 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.842 -11.121 1.053 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.897 -13.474 2.188 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.958 -11.055 1.902 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.461 -12.228 2.483 1.00 10.30 C ATOM 0 H TRP A 71 -3.536 -12.896 -2.773 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.609 -10.627 -1.492 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -2.217 -12.421 -1.010 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.669 -11.128 0.083 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -3.207 -14.702 -0.355 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.250 -15.545 0.970 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.456 -10.215 0.610 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.306 -14.378 2.614 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.428 -10.104 2.107 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.295 -12.169 3.167 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.808 -10.043 -3.126 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.933 -8.933 -3.511 1.00 44.24 C ATOM 1176 C ARG A 72 -1.765 -7.800 -4.101 1.00 25.40 C ATOM 1177 O ARG A 72 -1.443 -6.633 -3.887 1.00 72.43 O ATOM 1178 CB ARG A 72 0.219 -9.367 -4.450 1.00 20.22 C ATOM 1179 CG ARG A 72 1.216 -8.214 -4.672 1.00 24.51 C ATOM 1180 CD ARG A 72 2.581 -8.632 -5.258 1.00 4.10 C ATOM 1181 NE ARG A 72 2.587 -8.820 -6.719 1.00 14.41 N ATOM 1182 CZ ARG A 72 2.455 -7.864 -7.647 1.00 35.32 C ATOM 1183 NH1 ARG A 72 2.279 -6.594 -7.283 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 2.489 -8.168 -8.939 1.00 74.24 N ATOM 0 H ARG A 72 -1.598 -10.930 -3.584 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.441 -8.569 -2.609 1.00 44.24 H new ATOM 0 HB2 ARG A 72 0.739 -10.224 -4.022 1.00 20.22 H new ATOM 0 HB3 ARG A 72 -0.190 -9.688 -5.408 1.00 20.22 H new ATOM 0 HG2 ARG A 72 0.760 -7.484 -5.340 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.385 -7.712 -3.719 1.00 24.51 H new ATOM 0 HD2 ARG A 72 3.321 -7.874 -4.999 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.897 -9.561 -4.784 1.00 4.10 H new ATOM 0 HE ARG A 72 2.703 -9.775 -7.058 1.00 14.41 H new ATOM 0 HH11 ARG A 72 2.244 -6.347 -6.294 1.00 54.04 H new ATOM 0 HH12 ARG A 72 2.179 -5.869 -7.993 1.00 54.04 H new ATOM 0 HH21 ARG A 72 2.617 -9.137 -9.232 1.00 74.24 H new ATOM 0 HH22 ARG A 72 2.388 -7.433 -9.639 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.826 -8.124 -4.841 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.747 -7.145 -5.389 1.00 2.53 C ATOM 1200 C LYS A 73 -4.724 -6.682 -4.318 1.00 1.23 C ATOM 1201 O LYS A 73 -4.912 -5.477 -4.179 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.487 -7.723 -6.601 1.00 34.23 C ATOM 1203 CG LYS A 73 -3.488 -8.121 -7.700 1.00 63.11 C ATOM 1204 CD LYS A 73 -4.118 -8.411 -9.067 1.00 42.23 C ATOM 1205 CE LYS A 73 -4.258 -7.176 -9.969 1.00 22.32 C ATOM 1206 NZ LYS A 73 -5.228 -6.190 -9.453 1.00 41.12 N1+ ATOM 0 H LYS A 73 -3.067 -9.087 -5.076 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.178 -6.278 -5.726 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -5.070 -8.593 -6.298 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.191 -6.987 -6.990 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -2.758 -7.320 -7.815 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -2.942 -9.006 -7.372 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -3.513 -9.157 -9.583 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -5.104 -8.850 -8.915 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -3.284 -6.698 -10.074 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -4.567 -7.494 -10.965 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -5.471 -5.515 -10.206 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -6.089 -6.682 -9.138 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -4.809 -5.678 -8.651 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.353 -7.605 -3.585 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.435 -7.280 -2.661 1.00 31.13 C ATOM 1222 C ASN A 74 -5.993 -6.242 -1.634 1.00 50.53 C ATOM 1223 O ASN A 74 -6.709 -5.266 -1.428 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.981 -8.540 -1.965 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.743 -9.464 -2.911 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.048 -9.106 -4.042 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -8.054 -10.673 -2.470 1.00 4.44 N ATOM 0 H ASN A 74 -5.124 -8.598 -3.618 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.244 -6.848 -3.250 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -6.152 -9.090 -1.519 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.640 -8.241 -1.150 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -8.556 -11.323 -3.075 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -7.792 -10.954 -1.525 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.808 -6.414 -1.035 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.233 -5.470 -0.070 1.00 4.53 C ATOM 1236 C LEU A 75 -4.106 -4.077 -0.703 1.00 24.52 C ATOM 1237 O LEU A 75 -4.592 -3.079 -0.162 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.887 -6.013 0.456 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.000 -6.888 1.726 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -4.026 -8.022 1.624 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -1.653 -7.521 2.092 1.00 54.21 C ATOM 0 H LEU A 75 -4.214 -7.224 -1.210 1.00 65.10 H new ATOM 0 HA LEU A 75 -4.896 -5.367 0.789 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.413 -6.598 -0.332 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.228 -5.171 0.668 1.00 10.04 H new ATOM 0 HG LEU A 75 -3.335 -6.192 2.495 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -4.040 -8.585 2.557 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -5.015 -7.602 1.438 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -3.754 -8.686 0.804 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -1.769 -8.129 2.989 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -1.311 -8.149 1.269 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -0.920 -6.736 2.278 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.491 -4.010 -1.884 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.331 -2.770 -2.624 1.00 2.42 C ATOM 1255 C TRP A 76 -4.668 -2.074 -2.912 1.00 30.11 C ATOM 1256 O TRP A 76 -4.733 -0.849 -2.836 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.545 -3.040 -3.918 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.056 -2.878 -3.812 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.122 -3.768 -4.215 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.309 -1.743 -3.283 1.00 74.43 C ATOM 1261 NE1 TRP A 76 1.139 -3.281 -3.936 1.00 61.30 N ATOM 1262 CE2 TRP A 76 1.085 -2.028 -3.363 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.676 -0.489 -2.759 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 2.064 -1.128 -2.913 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.295 0.436 -2.337 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.663 0.116 -2.396 1.00 33.11 C ATOM 0 H TRP A 76 -3.089 -4.822 -2.352 1.00 13.51 H new ATOM 0 HA TRP A 76 -2.766 -2.078 -1.999 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.760 -4.056 -4.249 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -2.912 -2.368 -4.693 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.331 -4.718 -4.685 1.00 3.24 H new ATOM 0 HE1 TRP A 76 2.004 -3.786 -4.130 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.722 -0.233 -2.680 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 3.111 -1.388 -2.963 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.013 1.402 -1.964 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.401 0.822 -2.046 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.718 -2.817 -3.269 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.031 -2.249 -3.583 1.00 32.02 C ATOM 1279 C ILE A 77 -7.705 -1.777 -2.292 1.00 35.11 C ATOM 1280 O ILE A 77 -8.289 -0.698 -2.268 1.00 41.01 O ATOM 1281 CB ILE A 77 -7.896 -3.264 -4.369 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.211 -3.607 -5.711 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.291 -2.678 -4.652 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.768 -4.859 -6.400 1.00 32.44 C ATOM 0 H ILE A 77 -5.681 -3.833 -3.349 1.00 1.43 H new ATOM 0 HA ILE A 77 -6.910 -1.382 -4.232 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.002 -4.166 -3.766 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.315 -2.758 -6.386 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.144 -3.747 -5.536 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -9.886 -3.405 -5.205 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -9.786 -2.446 -3.709 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.190 -1.767 -5.242 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.233 -5.029 -7.334 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.639 -5.722 -5.746 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -8.828 -4.718 -6.610 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.596 -2.563 -1.222 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.131 -2.224 0.092 1.00 71.52 C ATOM 1298 C PHE A 78 -7.589 -0.879 0.582 1.00 63.24 C ATOM 1299 O PHE A 78 -8.342 -0.105 1.182 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.799 -3.343 1.084 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.279 -3.066 2.490 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.613 -3.352 2.838 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.393 -2.553 3.463 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.060 -3.127 4.151 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.856 -2.311 4.762 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.186 -2.582 5.102 1.00 25.55 C ATOM 0 H PHE A 78 -7.125 -3.468 -1.246 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.214 -2.127 0.015 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.246 -4.273 0.733 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.720 -3.494 1.101 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.293 -3.744 2.096 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.364 -2.349 3.206 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.075 -3.373 4.427 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -7.182 -1.913 5.506 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.540 -2.371 6.100 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.303 -0.608 0.331 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.701 0.704 0.562 1.00 72.11 C ATOM 1318 C VAL A 79 -6.282 1.730 -0.400 1.00 63.14 C ATOM 1319 O VAL A 79 -6.744 2.771 0.057 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.163 0.605 0.495 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.467 1.975 0.568 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.651 -0.264 1.654 1.00 22.13 C ATOM 0 H VAL A 79 -5.650 -1.298 -0.040 1.00 42.13 H new ATOM 0 HA VAL A 79 -5.946 1.050 1.566 1.00 72.11 H new ATOM 0 HB VAL A 79 -3.922 0.161 -0.471 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.387 1.838 0.516 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -3.795 2.594 -0.267 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.726 2.465 1.507 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.564 -0.333 1.605 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -3.944 0.186 2.603 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.081 -1.263 1.578 1.00 22.13 H new ATOM 1332 N SER A 80 -6.300 1.434 -1.698 1.00 34.12 N ATOM 1333 CA SER A 80 -6.709 2.358 -2.744 1.00 61.41 C ATOM 1334 C SER A 80 -8.070 3.017 -2.496 1.00 21.53 C ATOM 1335 O SER A 80 -8.273 4.125 -2.987 1.00 43.34 O ATOM 1336 CB SER A 80 -6.703 1.605 -4.075 1.00 54.34 C ATOM 1337 OG SER A 80 -6.769 2.459 -5.194 1.00 43.03 O ATOM 0 H SER A 80 -6.023 0.520 -2.057 1.00 34.12 H new ATOM 0 HA SER A 80 -5.996 3.183 -2.757 1.00 61.41 H new ATOM 0 HB2 SER A 80 -5.798 1.001 -4.140 1.00 54.34 H new ATOM 0 HB3 SER A 80 -7.548 0.917 -4.100 1.00 54.34 H new ATOM 0 HG SER A 80 -6.162 3.217 -5.063 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.002 2.380 -1.777 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.318 2.991 -1.563 1.00 53.15 C ATOM 1345 C LYS A 81 -10.220 4.196 -0.618 1.00 44.31 C ATOM 1346 O LYS A 81 -10.996 5.137 -0.739 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.355 1.953 -1.094 1.00 41.41 C ATOM 1348 CG LYS A 81 -12.079 1.253 -2.264 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.207 0.293 -3.090 1.00 70.23 C ATOM 1350 CE LYS A 81 -11.796 -0.030 -4.468 1.00 21.01 C ATOM 1351 NZ LYS A 81 -13.139 -0.643 -4.439 1.00 70.41 N1+ ATOM 0 H LYS A 81 -8.875 1.465 -1.344 1.00 14.35 H new ATOM 0 HA LYS A 81 -10.674 3.369 -2.521 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -10.857 1.202 -0.480 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -12.092 2.445 -0.460 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -12.927 0.697 -1.865 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -12.483 2.016 -2.930 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -10.218 0.732 -3.220 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.073 -0.635 -2.534 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -11.844 0.889 -5.052 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -11.116 -0.703 -4.990 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -13.458 -0.827 -5.412 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -13.100 -1.539 -3.912 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -13.806 0.004 -3.972 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.246 4.199 0.289 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.918 5.294 1.189 1.00 3.11 C ATOM 1367 C PHE A 82 -7.932 6.275 0.541 1.00 61.04 C ATOM 1368 O PHE A 82 -7.163 6.889 1.272 1.00 45.15 O ATOM 1369 CB PHE A 82 -8.330 4.717 2.495 1.00 72.45 C ATOM 1370 CG PHE A 82 -9.328 4.055 3.421 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -10.149 3.013 2.960 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.455 4.500 4.752 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -11.127 2.469 3.792 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -10.397 3.904 5.609 1.00 11.10 C ATOM 1375 CZ PHE A 82 -11.237 2.887 5.129 1.00 61.24 C ATOM 0 H PHE A 82 -8.634 3.394 0.420 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.829 5.850 1.412 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.562 3.988 2.236 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.836 5.523 3.038 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -10.022 2.632 1.958 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.827 5.301 5.115 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -11.804 1.721 3.406 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -10.474 4.229 6.636 1.00 11.10 H new ATOM 0 HZ PHE A 82 -11.964 2.429 5.783 1.00 61.24 H new ATOM 1385 N THR A 83 -7.875 6.427 -0.786 1.00 61.12 N ATOM 1386 CA THR A 83 -7.046 7.471 -1.376 1.00 12.22 C ATOM 1387 C THR A 83 -7.522 7.800 -2.799 1.00 51.24 C ATOM 1388 O THR A 83 -8.300 7.068 -3.414 1.00 21.11 O ATOM 1389 CB THR A 83 -5.557 7.061 -1.267 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.696 8.050 -1.798 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.237 5.693 -1.871 1.00 21.44 C ATOM 0 H THR A 83 -8.384 5.851 -1.457 1.00 61.12 H new ATOM 0 HA THR A 83 -7.147 8.406 -0.826 1.00 12.22 H new ATOM 0 HB THR A 83 -5.374 6.973 -0.196 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.571 8.764 -1.138 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.174 5.483 -1.753 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.818 4.925 -1.360 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.491 5.695 -2.931 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.038 8.912 -3.350 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.201 9.248 -4.762 1.00 74.01 C ATOM 1401 C GLU A 84 -6.153 8.539 -5.630 1.00 43.32 C ATOM 1402 O GLU A 84 -6.238 8.574 -6.859 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.129 10.765 -4.968 1.00 14.25 C ATOM 1404 CG GLU A 84 -8.209 11.520 -4.163 1.00 22.52 C ATOM 1405 CD GLU A 84 -8.648 12.847 -4.798 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -7.969 13.332 -5.733 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -9.681 13.404 -4.371 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.516 9.612 -2.822 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.186 8.900 -5.074 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -6.143 11.123 -4.672 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -7.245 10.991 -6.028 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -9.081 10.876 -4.052 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -7.829 11.717 -3.161 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.147 7.905 -5.022 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.163 7.125 -5.747 1.00 60.43 C ATOM 1416 C PHE A 85 -4.728 5.732 -6.011 1.00 31.05 C ATOM 1417 O PHE A 85 -4.905 4.934 -5.093 1.00 71.34 O ATOM 1418 CB PHE A 85 -2.838 7.103 -4.980 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.206 8.475 -4.807 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -1.976 9.301 -5.926 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -1.863 8.941 -3.523 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -1.385 10.566 -5.763 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -1.260 10.198 -3.361 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.022 11.011 -4.480 1.00 71.12 C ATOM 0 H PHE A 85 -4.999 7.923 -4.013 1.00 73.53 H new ATOM 0 HA PHE A 85 -3.949 7.580 -6.714 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.006 6.664 -3.997 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.137 6.454 -5.504 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -2.255 8.961 -6.912 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -2.065 8.327 -2.658 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -1.210 11.196 -6.623 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -0.979 10.540 -2.376 1.00 70.20 H new ATOM 0 HZ PHE A 85 -0.560 11.979 -4.355 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.000 5.432 -7.284 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.347 4.087 -7.727 1.00 42.44 C ATOM 1436 C ASP A 86 -4.294 3.104 -7.234 1.00 50.23 C ATOM 1437 O ASP A 86 -3.100 3.411 -7.201 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.338 3.956 -9.255 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.643 4.302 -9.952 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -7.592 3.491 -9.850 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -6.683 5.293 -10.708 1.00 54.44 O ATOM 0 H ASP A 86 -4.985 6.121 -8.036 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.343 3.883 -7.334 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -4.553 4.600 -9.652 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -5.070 2.931 -9.512 1.00 35.42 H new ATOM 1446 N ALA A 87 -4.707 1.853 -7.067 1.00 34.50 N ATOM 1447 CA ALA A 87 -3.856 0.716 -6.748 1.00 54.34 C ATOM 1448 C ALA A 87 -2.751 0.550 -7.801 1.00 42.15 C ATOM 1449 O ALA A 87 -1.714 -0.060 -7.529 1.00 54.10 O ATOM 1450 CB ALA A 87 -4.726 -0.540 -6.652 1.00 13.05 C ATOM 0 H ALA A 87 -5.689 1.593 -7.155 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.363 0.884 -5.790 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.099 -1.399 -6.413 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.472 -0.407 -5.869 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.227 -0.710 -7.605 1.00 13.05 H new ATOM 1456 N ARG A 88 -2.982 1.078 -9.005 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.021 1.229 -10.082 1.00 71.23 C ATOM 1458 C ARG A 88 -0.894 2.177 -9.657 1.00 35.22 C ATOM 1459 O ARG A 88 0.220 1.705 -9.424 1.00 74.21 O ATOM 1460 CB ARG A 88 -2.784 1.686 -11.339 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.147 1.162 -12.626 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.845 1.727 -13.865 1.00 12.42 C ATOM 1463 NE ARG A 88 -4.255 1.309 -14.001 1.00 52.53 N ATOM 1464 CZ ARG A 88 -4.744 0.486 -14.936 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -3.945 -0.345 -15.599 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -6.037 0.480 -15.217 1.00 13.42 N ATOM 0 H ARG A 88 -3.904 1.431 -9.262 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.530 0.285 -10.318 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.816 1.341 -11.280 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -2.813 2.775 -11.368 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -1.091 1.431 -12.647 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -2.199 0.073 -12.642 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -2.801 2.816 -13.830 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -2.296 1.414 -14.753 1.00 12.42 H new ATOM 0 HE ARG A 88 -4.917 1.682 -13.320 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -2.945 -0.361 -15.397 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -4.332 -0.967 -16.309 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -6.670 1.106 -14.719 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -6.401 -0.151 -15.931 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.148 3.490 -9.546 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.085 4.446 -9.242 1.00 14.14 C ATOM 1482 C LYS A 89 0.489 4.239 -7.838 1.00 2.34 C ATOM 1483 O LYS A 89 1.675 4.492 -7.669 1.00 51.34 O ATOM 1484 CB LYS A 89 -0.514 5.900 -9.501 1.00 41.42 C ATOM 1485 CG LYS A 89 -1.811 6.332 -8.795 1.00 43.13 C ATOM 1486 CD LYS A 89 -2.903 6.785 -9.771 1.00 64.32 C ATOM 1487 CE LYS A 89 -2.676 8.207 -10.299 1.00 13.54 C ATOM 1488 NZ LYS A 89 -3.901 8.792 -10.877 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.072 3.906 -9.662 1.00 15.10 H new ATOM 0 HA LYS A 89 0.729 4.245 -9.939 1.00 14.14 H new ATOM 0 HB2 LYS A 89 0.292 6.562 -9.185 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -0.639 6.040 -10.575 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.187 5.501 -8.198 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -1.588 7.146 -8.105 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -2.943 6.092 -10.612 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.871 6.738 -9.273 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -2.321 8.841 -9.487 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -1.892 8.190 -11.056 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -3.698 9.753 -11.220 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -4.227 8.203 -11.670 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -4.643 8.834 -10.149 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.287 3.724 -6.878 1.00 2.34 N ATOM 1503 CA LEU A 90 0.181 3.341 -5.547 1.00 62.33 C ATOM 1504 C LEU A 90 1.425 2.456 -5.663 1.00 70.22 C ATOM 1505 O LEU A 90 2.495 2.833 -5.185 1.00 13.11 O ATOM 1506 CB LEU A 90 -0.932 2.601 -4.771 1.00 42.24 C ATOM 1507 CG LEU A 90 -1.736 3.462 -3.775 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -3.039 2.760 -3.378 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -0.990 3.903 -2.508 1.00 43.35 C ATOM 0 H LEU A 90 -1.285 3.559 -7.012 1.00 2.34 H new ATOM 0 HA LEU A 90 0.440 4.245 -4.996 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -1.626 2.168 -5.491 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -0.480 1.773 -4.225 1.00 42.24 H new ATOM 0 HG LEU A 90 -1.934 4.380 -4.328 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -3.590 3.385 -2.675 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -3.647 2.591 -4.267 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -2.809 1.803 -2.909 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -1.654 4.502 -1.884 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -0.665 3.023 -1.952 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -0.120 4.498 -2.786 1.00 43.35 H new ATOM 1521 N HIS A 91 1.310 1.283 -6.305 1.00 11.24 N ATOM 1522 CA HIS A 91 2.437 0.358 -6.355 1.00 44.30 C ATOM 1523 C HIS A 91 3.579 0.906 -7.220 1.00 65.40 C ATOM 1524 O HIS A 91 4.739 0.605 -6.938 1.00 62.10 O ATOM 1525 CB HIS A 91 2.024 -1.064 -6.775 1.00 74.21 C ATOM 1526 CG HIS A 91 2.124 -1.348 -8.254 1.00 23.33 C ATOM 1527 ND1 HIS A 91 3.252 -1.774 -8.929 1.00 12.20 N ATOM 1528 CD2 HIS A 91 1.121 -1.193 -9.169 1.00 63.15 C ATOM 1529 CE1 HIS A 91 2.938 -1.838 -10.236 1.00 30.45 C ATOM 1530 NE2 HIS A 91 1.646 -1.515 -10.421 1.00 10.32 N ATOM 0 H HIS A 91 0.468 0.964 -6.784 1.00 11.24 H new ATOM 0 HA HIS A 91 2.813 0.272 -5.336 1.00 44.30 H new ATOM 0 HB2 HIS A 91 2.648 -1.780 -6.240 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.996 -1.236 -6.456 1.00 74.21 H new ATOM 0 HD2 HIS A 91 0.109 -0.879 -8.961 1.00 63.15 H new ATOM 0 HE1 HIS A 91 3.625 -2.110 -11.023 1.00 30.45 H new ATOM 0 HE2 HIS A 91 1.144 -1.507 -11.309 1.00 10.32 H new ATOM 1538 N LYS A 92 3.277 1.703 -8.257 1.00 0.33 N ATOM 1539 CA LYS A 92 4.294 2.351 -9.086 1.00 62.41 C ATOM 1540 C LYS A 92 5.150 3.251 -8.207 1.00 4.02 C ATOM 1541 O LYS A 92 6.374 3.108 -8.180 1.00 61.24 O ATOM 1542 CB LYS A 92 3.629 3.139 -10.228 1.00 22.30 C ATOM 1543 CG LYS A 92 4.641 3.776 -11.196 1.00 2.40 C ATOM 1544 CD LYS A 92 3.949 4.490 -12.367 1.00 24.33 C ATOM 1545 CE LYS A 92 3.485 3.517 -13.462 1.00 65.23 C ATOM 1546 NZ LYS A 92 2.672 4.206 -14.484 1.00 43.32 N1+ ATOM 0 H LYS A 92 2.320 1.913 -8.541 1.00 0.33 H new ATOM 0 HA LYS A 92 4.937 1.599 -9.544 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.972 2.472 -10.787 1.00 22.30 H new ATOM 0 HB3 LYS A 92 3.001 3.922 -9.803 1.00 22.30 H new ATOM 0 HG2 LYS A 92 5.262 4.489 -10.653 1.00 2.40 H new ATOM 0 HG3 LYS A 92 5.306 3.004 -11.584 1.00 2.40 H new ATOM 0 HD2 LYS A 92 3.089 5.046 -11.992 1.00 24.33 H new ATOM 0 HD3 LYS A 92 4.635 5.218 -12.800 1.00 24.33 H new ATOM 0 HE2 LYS A 92 4.353 3.057 -13.934 1.00 65.23 H new ATOM 0 HE3 LYS A 92 2.903 2.712 -13.013 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 2.374 3.523 -15.209 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 1.832 4.624 -14.036 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 3.237 4.958 -14.928 1.00 43.32 H new ATOM 1560 N LEU A 93 4.504 4.167 -7.484 1.00 63.33 N ATOM 1561 CA LEU A 93 5.152 5.114 -6.592 1.00 20.11 C ATOM 1562 C LEU A 93 5.968 4.368 -5.557 1.00 43.43 C ATOM 1563 O LEU A 93 7.155 4.663 -5.431 1.00 62.13 O ATOM 1564 CB LEU A 93 4.123 6.025 -5.901 1.00 1.11 C ATOM 1565 CG LEU A 93 3.785 7.261 -6.746 1.00 52.21 C ATOM 1566 CD1 LEU A 93 2.512 7.916 -6.212 1.00 23.33 C ATOM 1567 CD2 LEU A 93 4.931 8.284 -6.707 1.00 24.41 C ATOM 0 H LEU A 93 3.489 4.269 -7.507 1.00 63.33 H new ATOM 0 HA LEU A 93 5.812 5.746 -7.186 1.00 20.11 H new ATOM 0 HB2 LEU A 93 3.212 5.459 -5.707 1.00 1.11 H new ATOM 0 HB3 LEU A 93 4.513 6.343 -4.934 1.00 1.11 H new ATOM 0 HG LEU A 93 3.637 6.939 -7.777 1.00 52.21 H new ATOM 0 HD11 LEU A 93 2.274 8.793 -6.814 1.00 23.33 H new ATOM 0 HD12 LEU A 93 1.687 7.205 -6.265 1.00 23.33 H new ATOM 0 HD13 LEU A 93 2.665 8.217 -5.176 1.00 23.33 H new ATOM 0 HD21 LEU A 93 4.666 9.150 -7.314 1.00 24.41 H new ATOM 0 HD22 LEU A 93 5.102 8.600 -5.678 1.00 24.41 H new ATOM 0 HD23 LEU A 93 5.839 7.828 -7.102 1.00 24.41 H new ATOM 1579 N TYR A 94 5.356 3.414 -4.851 1.00 62.42 N ATOM 1580 CA TYR A 94 6.024 2.598 -3.849 1.00 42.52 C ATOM 1581 C TYR A 94 7.284 1.957 -4.430 1.00 73.20 C ATOM 1582 O TYR A 94 8.370 2.162 -3.891 1.00 63.02 O ATOM 1583 CB TYR A 94 5.056 1.547 -3.290 1.00 5.32 C ATOM 1584 CG TYR A 94 5.745 0.538 -2.395 1.00 33.45 C ATOM 1585 CD1 TYR A 94 6.266 0.944 -1.154 1.00 12.54 C ATOM 1586 CD2 TYR A 94 5.935 -0.780 -2.838 1.00 3.30 C ATOM 1587 CE1 TYR A 94 6.993 0.048 -0.348 1.00 73.21 C ATOM 1588 CE2 TYR A 94 6.641 -1.690 -2.036 1.00 21.21 C ATOM 1589 CZ TYR A 94 7.186 -1.282 -0.797 1.00 54.02 C ATOM 1590 OH TYR A 94 7.883 -2.206 -0.086 1.00 52.45 O ATOM 0 H TYR A 94 4.368 3.188 -4.965 1.00 62.42 H new ATOM 0 HA TYR A 94 6.336 3.236 -3.022 1.00 42.52 H new ATOM 0 HB2 TYR A 94 4.268 2.047 -2.728 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.575 1.025 -4.117 1.00 5.32 H new ATOM 0 HD1 TYR A 94 6.106 1.957 -0.815 1.00 12.54 H new ATOM 0 HD2 TYR A 94 5.539 -1.093 -3.793 1.00 3.30 H new ATOM 0 HE1 TYR A 94 7.398 0.370 0.600 1.00 73.21 H new ATOM 0 HE2 TYR A 94 6.769 -2.710 -2.368 1.00 21.21 H new ATOM 0 HH TYR A 94 8.071 -1.856 0.810 1.00 52.45 H new ATOM 1600 N LYS A 95 7.171 1.227 -5.545 1.00 41.45 N ATOM 1601 CA LYS A 95 8.299 0.524 -6.147 1.00 54.30 C ATOM 1602 C LYS A 95 9.410 1.500 -6.534 1.00 22.23 C ATOM 1603 O LYS A 95 10.571 1.252 -6.222 1.00 35.23 O ATOM 1604 CB LYS A 95 7.803 -0.335 -7.318 1.00 32.21 C ATOM 1605 CG LYS A 95 8.878 -1.309 -7.836 1.00 61.25 C ATOM 1606 CD LYS A 95 9.468 -0.930 -9.197 1.00 54.15 C ATOM 1607 CE LYS A 95 8.398 -0.998 -10.298 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.973 -0.936 -11.656 1.00 12.11 N1+ ATOM 0 H LYS A 95 6.294 1.110 -6.052 1.00 41.45 H new ATOM 0 HA LYS A 95 8.745 -0.153 -5.418 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.927 -0.901 -7.003 1.00 32.21 H new ATOM 0 HB3 LYS A 95 7.485 0.316 -8.132 1.00 32.21 H new ATOM 0 HG2 LYS A 95 9.685 -1.363 -7.105 1.00 61.25 H new ATOM 0 HG3 LYS A 95 8.444 -2.307 -7.906 1.00 61.25 H new ATOM 0 HD2 LYS A 95 9.883 0.077 -9.150 1.00 54.15 H new ATOM 0 HD3 LYS A 95 10.290 -1.603 -9.441 1.00 54.15 H new ATOM 0 HE2 LYS A 95 7.830 -1.922 -10.190 1.00 22.41 H new ATOM 0 HE3 LYS A 95 7.695 -0.175 -10.167 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 8.208 -0.986 -12.359 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 9.493 -0.043 -11.772 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 9.623 -1.736 -11.795 1.00 12.11 H new ATOM 1622 N HIS A 96 9.083 2.634 -7.160 1.00 2.14 N ATOM 1623 CA HIS A 96 10.082 3.657 -7.457 1.00 2.00 C ATOM 1624 C HIS A 96 10.686 4.271 -6.187 1.00 64.43 C ATOM 1625 O HIS A 96 11.829 4.729 -6.232 1.00 42.32 O ATOM 1626 CB HIS A 96 9.481 4.769 -8.325 1.00 24.51 C ATOM 1627 CG HIS A 96 9.596 4.524 -9.807 1.00 14.41 C ATOM 1628 ND1 HIS A 96 10.612 4.985 -10.619 1.00 42.35 N ATOM 1629 CD2 HIS A 96 8.721 3.823 -10.591 1.00 62.44 C ATOM 1630 CE1 HIS A 96 10.358 4.570 -11.868 1.00 43.34 C ATOM 1631 NE2 HIS A 96 9.224 3.841 -11.898 1.00 62.31 N ATOM 0 H HIS A 96 8.138 2.864 -7.469 1.00 2.14 H new ATOM 0 HA HIS A 96 10.883 3.158 -8.003 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.428 4.887 -8.068 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.975 5.710 -8.084 1.00 24.51 H new ATOM 0 HD2 HIS A 96 7.810 3.344 -10.263 1.00 62.44 H new ATOM 0 HE1 HIS A 96 10.974 4.788 -12.728 1.00 43.34 H new ATOM 0 HE2 HIS A 96 8.812 3.390 -12.715 1.00 62.31 H new ATOM 1639 N ALA A 97 9.942 4.337 -5.078 1.00 74.32 N ATOM 1640 CA ALA A 97 10.419 4.894 -3.817 1.00 62.11 C ATOM 1641 C ALA A 97 11.489 3.978 -3.235 1.00 21.45 C ATOM 1642 O ALA A 97 12.628 4.415 -3.055 1.00 62.01 O ATOM 1643 CB ALA A 97 9.270 5.101 -2.815 1.00 12.11 C ATOM 0 H ALA A 97 8.980 4.000 -5.035 1.00 74.32 H new ATOM 0 HA ALA A 97 10.849 5.876 -4.012 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.666 5.517 -1.889 1.00 12.11 H new ATOM 0 HB2 ALA A 97 8.538 5.789 -3.238 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.791 4.144 -2.607 1.00 12.11 H new ATOM 1649 N ILE A 98 11.124 2.719 -2.974 1.00 4.01 N ATOM 1650 CA ILE A 98 12.023 1.733 -2.393 1.00 65.43 C ATOM 1651 C ILE A 98 13.223 1.529 -3.311 1.00 70.52 C ATOM 1652 O ILE A 98 14.350 1.533 -2.828 1.00 31.14 O ATOM 1653 CB ILE A 98 11.268 0.430 -2.040 1.00 34.23 C ATOM 1654 CG1 ILE A 98 12.182 -0.497 -1.215 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.688 -0.314 -3.254 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.438 -1.671 -0.570 1.00 25.45 C ATOM 0 H ILE A 98 10.189 2.359 -3.163 1.00 4.01 H new ATOM 0 HA ILE A 98 12.414 2.100 -1.444 1.00 65.43 H new ATOM 0 HB ILE A 98 10.403 0.728 -1.447 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.969 -0.886 -1.860 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.670 0.087 -0.434 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.176 -1.215 -2.918 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.981 0.333 -3.774 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.496 -0.588 -3.933 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.142 -2.282 -0.005 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.669 -1.289 0.101 1.00 25.45 H new ATOM 0 HD13 ILE A 98 10.973 -2.278 -1.347 1.00 25.45 H new ATOM 1668 N LYS A 99 13.014 1.425 -4.630 1.00 65.44 N ATOM 1669 CA LYS A 99 14.132 1.295 -5.556 1.00 2.32 C ATOM 1670 C LYS A 99 15.040 2.524 -5.499 1.00 44.52 C ATOM 1671 O LYS A 99 16.252 2.348 -5.503 1.00 12.43 O ATOM 1672 CB LYS A 99 13.678 0.958 -6.985 1.00 70.12 C ATOM 1673 CG LYS A 99 14.925 0.799 -7.878 1.00 70.31 C ATOM 1674 CD LYS A 99 14.646 0.415 -9.326 1.00 52.12 C ATOM 1675 CE LYS A 99 14.203 -1.041 -9.487 1.00 11.33 C ATOM 1676 NZ LYS A 99 14.254 -1.436 -10.909 1.00 60.11 N1+ ATOM 0 H LYS A 99 12.093 1.429 -5.069 1.00 65.44 H new ATOM 0 HA LYS A 99 14.726 0.441 -5.230 1.00 2.32 H new ATOM 0 HB2 LYS A 99 13.092 0.039 -6.988 1.00 70.12 H new ATOM 0 HB3 LYS A 99 13.034 1.748 -7.373 1.00 70.12 H new ATOM 0 HG2 LYS A 99 15.480 1.737 -7.869 1.00 70.31 H new ATOM 0 HG3 LYS A 99 15.573 0.041 -7.437 1.00 70.31 H new ATOM 0 HD2 LYS A 99 13.872 1.070 -9.727 1.00 52.12 H new ATOM 0 HD3 LYS A 99 15.545 0.583 -9.920 1.00 52.12 H new ATOM 0 HE2 LYS A 99 14.849 -1.692 -8.898 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.190 -1.165 -9.104 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 13.951 -2.426 -11.005 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 13.620 -0.825 -11.462 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 15.227 -1.336 -11.262 1.00 60.11 H new ATOM 1690 N LYS A 100 14.513 3.756 -5.432 1.00 42.13 N ATOM 1691 CA LYS A 100 15.401 4.920 -5.354 1.00 4.50 C ATOM 1692 C LYS A 100 16.255 4.841 -4.087 1.00 64.53 C ATOM 1693 O LYS A 100 17.442 5.138 -4.146 1.00 65.31 O ATOM 1694 CB LYS A 100 14.629 6.246 -5.414 1.00 23.44 C ATOM 1695 CG LYS A 100 15.576 7.417 -5.723 1.00 42.32 C ATOM 1696 CD LYS A 100 15.094 8.733 -5.114 1.00 74.15 C ATOM 1697 CE LYS A 100 16.032 9.897 -5.479 1.00 14.21 C ATOM 1698 NZ LYS A 100 17.388 9.761 -4.903 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.515 3.966 -5.430 1.00 42.13 H new ATOM 0 HA LYS A 100 16.054 4.899 -6.227 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.855 6.187 -6.179 1.00 23.44 H new ATOM 0 HB3 LYS A 100 14.125 6.421 -4.464 1.00 23.44 H new ATOM 0 HG2 LYS A 100 16.571 7.186 -5.342 1.00 42.32 H new ATOM 0 HG3 LYS A 100 15.667 7.532 -6.803 1.00 42.32 H new ATOM 0 HD2 LYS A 100 14.086 8.951 -5.467 1.00 74.15 H new ATOM 0 HD3 LYS A 100 15.038 8.635 -4.030 1.00 74.15 H new ATOM 0 HE2 LYS A 100 16.111 9.964 -6.564 1.00 14.21 H new ATOM 0 HE3 LYS A 100 15.591 10.832 -5.134 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 17.942 10.615 -5.115 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 17.317 9.641 -3.872 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 17.859 8.931 -5.316 1.00 55.41 H new ATOM 1712 N ARG A 101 15.666 4.462 -2.947 1.00 13.00 N ATOM 1713 CA ARG A 101 16.415 4.240 -1.709 1.00 21.24 C ATOM 1714 C ARG A 101 17.472 3.148 -1.886 1.00 32.44 C ATOM 1715 O ARG A 101 18.604 3.326 -1.440 1.00 41.23 O ATOM 1716 CB ARG A 101 15.465 3.892 -0.547 1.00 43.10 C ATOM 1717 CG ARG A 101 15.174 5.089 0.370 1.00 13.42 C ATOM 1718 CD ARG A 101 14.162 6.093 -0.211 1.00 31.55 C ATOM 1719 NE ARG A 101 14.051 7.316 0.611 1.00 14.22 N ATOM 1720 CZ ARG A 101 13.571 7.434 1.857 1.00 32.10 C ATOM 1721 NH1 ARG A 101 13.116 6.383 2.532 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 13.557 8.623 2.446 1.00 74.22 N ATOM 0 H ARG A 101 14.663 4.302 -2.859 1.00 13.00 H new ATOM 0 HA ARG A 101 16.931 5.169 -1.465 1.00 21.24 H new ATOM 0 HB2 ARG A 101 14.526 3.516 -0.953 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.902 3.087 0.044 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.797 4.719 1.324 1.00 13.42 H new ATOM 0 HG3 ARG A 101 16.109 5.610 0.577 1.00 13.42 H new ATOM 0 HD2 ARG A 101 14.463 6.364 -1.223 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.184 5.618 -0.285 1.00 31.55 H new ATOM 0 HE ARG A 101 14.381 8.178 0.176 1.00 14.22 H new ATOM 0 HH11 ARG A 101 13.127 5.458 2.103 1.00 32.33 H new ATOM 0 HH12 ARG A 101 12.756 6.502 3.479 1.00 32.33 H new ATOM 0 HH21 ARG A 101 13.910 9.442 1.951 1.00 74.22 H new ATOM 0 HH22 ARG A 101 13.193 8.718 3.394 1.00 74.22 H new ATOM 1736 N GLN A 102 17.114 2.038 -2.524 1.00 34.41 N ATOM 1737 CA GLN A 102 17.978 0.895 -2.759 1.00 70.10 C ATOM 1738 C GLN A 102 19.199 1.280 -3.598 1.00 61.44 C ATOM 1739 O GLN A 102 19.146 1.358 -4.826 1.00 72.53 O ATOM 1740 CB GLN A 102 17.174 -0.250 -3.400 1.00 2.55 C ATOM 1741 CG GLN A 102 16.347 -1.069 -2.395 1.00 72.35 C ATOM 1742 CD GLN A 102 17.204 -2.044 -1.584 1.00 41.42 C ATOM 1743 OE1 GLN A 102 18.289 -1.703 -1.119 1.00 50.15 O ATOM 1744 NE2 GLN A 102 16.752 -3.268 -1.374 1.00 20.33 N ATOM 0 H GLN A 102 16.177 1.909 -2.905 1.00 34.41 H new ATOM 0 HA GLN A 102 18.360 0.543 -1.801 1.00 70.10 H new ATOM 0 HB2 GLN A 102 16.505 0.166 -4.153 1.00 2.55 H new ATOM 0 HB3 GLN A 102 17.862 -0.918 -3.919 1.00 2.55 H new ATOM 0 HG2 GLN A 102 15.833 -0.390 -1.715 1.00 72.35 H new ATOM 0 HG3 GLN A 102 15.578 -1.626 -2.931 1.00 72.35 H new ATOM 0 HE21 GLN A 102 15.851 -3.552 -1.759 1.00 20.33 H new ATOM 0 HE22 GLN A 102 17.304 -3.928 -0.826 1.00 20.33 H new ATOM 1753 N GLU A 103 20.329 1.479 -2.925 1.00 12.25 N ATOM 1754 CA GLU A 103 21.621 1.674 -3.564 1.00 25.11 C ATOM 1755 C GLU A 103 22.057 0.388 -4.273 1.00 60.21 C ATOM 1756 O GLU A 103 21.406 -0.658 -4.186 1.00 74.11 O ATOM 1757 CB GLU A 103 22.669 2.077 -2.512 1.00 24.43 C ATOM 1758 CG GLU A 103 22.435 3.447 -1.868 1.00 2.13 C ATOM 1759 CD GLU A 103 22.695 4.658 -2.768 1.00 32.20 C ATOM 1760 OE1 GLU A 103 22.787 4.500 -4.016 1.00 72.01 O ATOM 1761 OE2 GLU A 103 22.720 5.784 -2.229 1.00 44.44 O1- ATOM 0 H GLU A 103 20.370 1.509 -1.906 1.00 12.25 H new ATOM 0 HA GLU A 103 21.534 2.471 -4.303 1.00 25.11 H new ATOM 0 HB2 GLU A 103 22.686 1.320 -1.728 1.00 24.43 H new ATOM 0 HB3 GLU A 103 23.653 2.074 -2.980 1.00 24.43 H new ATOM 0 HG2 GLU A 103 21.403 3.492 -1.519 1.00 2.13 H new ATOM 0 HG3 GLU A 103 23.073 3.528 -0.988 1.00 2.13 H new ATOM 1768 N SER A 104 23.168 0.471 -4.999 1.00 64.23 N ATOM 1769 CA SER A 104 23.858 -0.669 -5.587 1.00 2.21 C ATOM 1770 C SER A 104 24.613 -1.393 -4.477 1.00 64.02 C ATOM 1771 O SER A 104 24.213 -2.483 -4.080 1.00 13.35 O ATOM 1772 CB SER A 104 24.786 -0.213 -6.728 1.00 15.03 C ATOM 1773 OG SER A 104 24.839 1.204 -6.838 1.00 22.12 O ATOM 0 H SER A 104 23.625 1.360 -5.199 1.00 64.23 H new ATOM 0 HA SER A 104 23.144 -1.361 -6.034 1.00 2.21 H new ATOM 0 HB2 SER A 104 25.790 -0.601 -6.556 1.00 15.03 H new ATOM 0 HB3 SER A 104 24.438 -0.637 -7.670 1.00 15.03 H new ATOM 0 HG SER A 104 25.439 1.453 -7.572 1.00 22.12 H new ATOM 1779 N GLN A 105 25.658 -0.769 -3.933 1.00 14.34 N ATOM 1780 CA GLN A 105 26.479 -1.278 -2.841 1.00 24.32 C ATOM 1781 C GLN A 105 26.663 -0.135 -1.833 1.00 1.12 C ATOM 1782 O GLN A 105 26.059 0.926 -2.012 1.00 74.43 O ATOM 1783 CB GLN A 105 27.782 -1.850 -3.432 1.00 3.52 C ATOM 1784 CG GLN A 105 28.350 -3.018 -2.616 1.00 44.01 C ATOM 1785 CD GLN A 105 29.401 -3.789 -3.411 1.00 2.34 C ATOM 1786 OE1 GLN A 105 30.575 -3.437 -3.436 1.00 35.04 O ATOM 1787 NE2 GLN A 105 29.012 -4.854 -4.099 1.00 3.01 N ATOM 0 H GLN A 105 25.967 0.147 -4.259 1.00 14.34 H new ATOM 0 HA GLN A 105 26.019 -2.103 -2.297 1.00 24.32 H new ATOM 0 HB2 GLN A 105 27.595 -2.184 -4.453 1.00 3.52 H new ATOM 0 HB3 GLN A 105 28.528 -1.057 -3.488 1.00 3.52 H new ATOM 0 HG2 GLN A 105 28.793 -2.640 -1.695 1.00 44.01 H new ATOM 0 HG3 GLN A 105 27.542 -3.691 -2.329 1.00 44.01 H new ATOM 0 HE21 GLN A 105 28.035 -5.146 -4.078 1.00 3.01 H new ATOM 0 HE22 GLN A 105 29.690 -5.381 -4.650 1.00 3.01 H new ATOM 1796 N GLN A 106 27.418 -0.349 -0.754 1.00 52.33 N ATOM 1797 CA GLN A 106 27.508 0.607 0.348 1.00 11.21 C ATOM 1798 C GLN A 106 28.262 1.893 -0.059 1.00 2.01 C ATOM 1799 O GLN A 106 28.107 2.924 0.600 1.00 54.13 O ATOM 1800 CB GLN A 106 28.110 -0.124 1.566 1.00 23.02 C ATOM 1801 CG GLN A 106 27.938 0.618 2.897 1.00 32.41 C ATOM 1802 CD GLN A 106 28.598 -0.144 4.057 1.00 50.04 C ATOM 1803 OE1 GLN A 106 28.053 -1.094 4.625 1.00 40.21 O ATOM 1804 NE2 GLN A 106 29.806 0.233 4.443 1.00 32.23 N ATOM 0 H GLN A 106 27.982 -1.188 -0.621 1.00 52.33 H new ATOM 0 HA GLN A 106 26.517 0.966 0.625 1.00 11.21 H new ATOM 0 HB2 GLN A 106 27.647 -1.107 1.650 1.00 23.02 H new ATOM 0 HB3 GLN A 106 29.173 -0.286 1.389 1.00 23.02 H new ATOM 0 HG2 GLN A 106 28.375 1.613 2.819 1.00 32.41 H new ATOM 0 HG3 GLN A 106 26.877 0.752 3.106 1.00 32.41 H new ATOM 0 HE21 GLN A 106 30.267 1.017 3.981 1.00 32.23 H new ATOM 0 HE22 GLN A 106 30.276 -0.260 5.202 1.00 32.23 H new ATOM 1813 N ASN A 107 29.028 1.858 -1.165 1.00 32.25 N ATOM 1814 CA ASN A 107 29.849 2.961 -1.688 1.00 60.35 C ATOM 1815 C ASN A 107 30.809 3.475 -0.602 1.00 23.12 C ATOM 1816 O ASN A 107 31.077 2.773 0.383 1.00 75.20 O ATOM 1817 CB ASN A 107 28.968 4.083 -2.278 1.00 44.30 C ATOM 1818 CG ASN A 107 28.176 3.681 -3.516 1.00 2.23 C ATOM 1819 OD1 ASN A 107 28.748 3.342 -4.552 1.00 42.51 O ATOM 1820 ND2 ASN A 107 26.860 3.753 -3.469 1.00 50.11 N ATOM 0 H ASN A 107 29.093 1.021 -1.744 1.00 32.25 H new ATOM 0 HA ASN A 107 30.459 2.585 -2.509 1.00 60.35 H new ATOM 0 HB2 ASN A 107 28.271 4.422 -1.511 1.00 44.30 H new ATOM 0 HB3 ASN A 107 29.603 4.932 -2.529 1.00 44.30 H new ATOM 0 HD21 ASN A 107 26.307 3.527 -4.296 1.00 50.11 H new ATOM 0 HD22 ASN A 107 26.395 4.035 -2.606 1.00 50.11 H new ATOM 1827 N SER A 108 31.396 4.658 -0.787 1.00 10.55 N ATOM 1828 CA SER A 108 32.083 5.390 0.270 1.00 41.44 C ATOM 1829 C SER A 108 31.241 6.615 0.557 1.00 63.20 C ATOM 1830 O SER A 108 30.561 6.621 1.601 1.00 75.32 O ATOM 1831 CB SER A 108 33.545 5.726 -0.071 1.00 45.42 C ATOM 1832 OG SER A 108 34.127 4.778 -0.958 1.00 34.25 O ATOM 0 H SER A 108 31.406 5.138 -1.687 1.00 10.55 H new ATOM 0 HA SER A 108 32.174 4.771 1.162 1.00 41.44 H new ATOM 0 HB2 SER A 108 33.591 6.717 -0.522 1.00 45.42 H new ATOM 0 HB3 SER A 108 34.130 5.766 0.848 1.00 45.42 H new ATOM 0 HG SER A 108 35.054 5.033 -1.147 1.00 34.25 H new TER 1838 SER A 108