USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1051 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 TYR OH : rot 180:sc=-0.00863 USER MOD Set 2.1: A 9 THR OG1 : rot 43:sc= 0.0593 USER MOD Set 2.2: A 83 GLN : amide:sc= -1.14 K(o=-1.1,f=-6.6!) USER MOD Set 3.1: A 8 ASN : amide:sc= 0.639 K(o=1.8,f=-6.5) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -178:sc= 1.19 (180deg=-0.0519) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -159:sc= 0.611 (180deg=-0.44) USER MOD Set 4.2: A 76 TYR OH : rot -167:sc= 1.08 USER MOD Single : A 10 ASN : amide:sc= 0.291 K(o=0.29,f=-0.55) USER MOD Single : A 11 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= 0.857 (180deg=-0.784) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= 0.159 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 0.452 (180deg=0.278) USER MOD Single : A 24 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.0047) USER MOD Single : A 25 GLN : amide:sc= -1.19 K(o=-1.2,f=-2!) USER MOD Single : A 27 TYR OH : rot 90:sc= 0.216 USER MOD Single : A 28 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.88) USER MOD Single : A 33 ASN : amide:sc= 0.0177 X(o=0.018,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0.462 (180deg=0.455) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 143:sc= -0.387 (180deg=-0.94) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= 0.669 (180deg=0.315) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= 0.784 (180deg=0.679) USER MOD Single : A 50 ASN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0.337 (180deg=0.268) USER MOD Single : A 58 SER OG : rot -106:sc= -1.25 USER MOD Single : A 59 ASN : amide:sc= -0.183 K(o=-0.18,f=-5.7!) USER MOD Single : A 62 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 134:sc= -0.448 (180deg=-2.47!) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00776) USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00727) USER MOD Single : A 85 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.37) USER MOD Single : A 88 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= 0.329 (180deg=-0.0904) USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0489) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 106 LYS NZ :NH3+ -160:sc= -1.61! (180deg=-2.26!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -135:sc= 0 (180deg=-2.18) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.319 6.602 5.729 1.00 41.42 N ATOM 21 CA LYS A 2 -11.830 5.842 4.569 1.00 41.12 C ATOM 22 C LYS A 2 -10.385 6.257 4.235 1.00 13.03 C ATOM 23 O LYS A 2 -10.124 7.392 3.804 1.00 41.42 O ATOM 24 CB LYS A 2 -12.791 6.065 3.373 1.00 44.11 C ATOM 25 CG LYS A 2 -12.507 5.206 2.116 1.00 25.54 C ATOM 26 CD LYS A 2 -13.541 5.482 0.998 1.00 55.45 C ATOM 27 CE LYS A 2 -13.237 4.753 -0.323 1.00 44.24 C ATOM 28 NZ LYS A 2 -14.147 5.193 -1.414 1.00 12.33 N ATOM 0 HA LYS A 2 -11.814 4.776 4.798 1.00 41.12 H new ATOM 0 HB2 LYS A 2 -13.809 5.864 3.706 1.00 44.11 H new ATOM 0 HB3 LYS A 2 -12.751 7.117 3.089 1.00 44.11 H new ATOM 0 HG2 LYS A 2 -11.504 5.419 1.747 1.00 25.54 H new ATOM 0 HG3 LYS A 2 -12.530 4.149 2.383 1.00 25.54 H new ATOM 0 HD2 LYS A 2 -14.529 5.183 1.348 1.00 55.45 H new ATOM 0 HD3 LYS A 2 -13.581 6.555 0.809 1.00 55.45 H new ATOM 0 HE2 LYS A 2 -12.203 4.941 -0.613 1.00 44.24 H new ATOM 0 HE3 LYS A 2 -13.337 3.677 -0.177 1.00 44.24 H new ATOM 0 HZ1 LYS A 2 -14.170 4.469 -2.160 1.00 12.33 H new ATOM 0 HZ2 LYS A 2 -15.105 5.329 -1.033 1.00 12.33 H new ATOM 0 HZ3 LYS A 2 -13.803 6.090 -1.813 1.00 12.33 H new ATOM 42 N GLU A 3 -9.458 5.317 4.472 1.00 55.40 N ATOM 43 CA GLU A 3 -8.019 5.476 4.192 1.00 32.14 C ATOM 44 C GLU A 3 -7.598 4.411 3.174 1.00 32.32 C ATOM 45 O GLU A 3 -8.230 3.355 3.065 1.00 23.41 O ATOM 46 CB GLU A 3 -7.142 5.347 5.481 1.00 4.30 C ATOM 47 CG GLU A 3 -7.549 6.250 6.679 1.00 45.13 C ATOM 48 CD GLU A 3 -8.408 5.530 7.734 1.00 22.25 C ATOM 49 OE1 GLU A 3 -9.624 5.372 7.524 1.00 44.35 O ATOM 50 OE2 GLU A 3 -7.862 5.094 8.770 1.00 21.44 O ATOM 0 H GLU A 3 -9.689 4.407 4.871 1.00 55.40 H new ATOM 0 HA GLU A 3 -7.860 6.479 3.796 1.00 32.14 H new ATOM 0 HB2 GLU A 3 -7.167 4.308 5.810 1.00 4.30 H new ATOM 0 HB3 GLU A 3 -6.109 5.573 5.217 1.00 4.30 H new ATOM 0 HG2 GLU A 3 -6.647 6.632 7.157 1.00 45.13 H new ATOM 0 HG3 GLU A 3 -8.099 7.112 6.302 1.00 45.13 H new ATOM 57 N LEU A 4 -6.534 4.689 2.421 1.00 64.22 N ATOM 58 CA LEU A 4 -6.000 3.759 1.407 1.00 73.02 C ATOM 59 C LEU A 4 -4.567 3.382 1.797 1.00 51.43 C ATOM 60 O LEU A 4 -3.680 4.234 1.774 1.00 61.11 O ATOM 61 CB LEU A 4 -6.048 4.397 -0.023 1.00 31.23 C ATOM 62 CG LEU A 4 -7.387 4.264 -0.834 1.00 62.10 C ATOM 63 CD1 LEU A 4 -7.710 2.793 -1.130 1.00 31.52 C ATOM 64 CD2 LEU A 4 -8.575 4.954 -0.140 1.00 24.43 C ATOM 0 H LEU A 4 -6.013 5.563 2.491 1.00 64.22 H new ATOM 0 HA LEU A 4 -6.616 2.861 1.374 1.00 73.02 H new ATOM 0 HB2 LEU A 4 -5.818 5.458 0.075 1.00 31.23 H new ATOM 0 HB3 LEU A 4 -5.250 3.951 -0.617 1.00 31.23 H new ATOM 0 HG LEU A 4 -7.228 4.783 -1.779 1.00 62.10 H new ATOM 0 HD11 LEU A 4 -8.642 2.731 -1.692 1.00 31.52 H new ATOM 0 HD12 LEU A 4 -6.903 2.354 -1.716 1.00 31.52 H new ATOM 0 HD13 LEU A 4 -7.815 2.248 -0.192 1.00 31.52 H new ATOM 0 HD21 LEU A 4 -9.473 4.829 -0.746 1.00 24.43 H new ATOM 0 HD22 LEU A 4 -8.734 4.506 0.841 1.00 24.43 H new ATOM 0 HD23 LEU A 4 -8.361 6.016 -0.023 1.00 24.43 H new ATOM 76 N ILE A 5 -4.358 2.106 2.162 1.00 30.21 N ATOM 77 CA ILE A 5 -3.030 1.570 2.512 1.00 41.35 C ATOM 78 C ILE A 5 -2.466 0.798 1.313 1.00 11.40 C ATOM 79 O ILE A 5 -3.119 -0.100 0.787 1.00 22.31 O ATOM 80 CB ILE A 5 -3.066 0.654 3.796 1.00 14.40 C ATOM 81 CG1 ILE A 5 -1.667 0.006 4.074 1.00 21.25 C ATOM 82 CG2 ILE A 5 -4.190 -0.404 3.716 1.00 40.23 C ATOM 83 CD1 ILE A 5 -1.597 -0.897 5.298 1.00 53.22 C ATOM 0 H ILE A 5 -5.106 1.415 2.223 1.00 30.21 H new ATOM 0 HA ILE A 5 -2.381 2.412 2.752 1.00 41.35 H new ATOM 0 HB ILE A 5 -3.299 1.294 4.647 1.00 14.40 H new ATOM 0 HG12 ILE A 5 -1.374 -0.574 3.199 1.00 21.25 H new ATOM 0 HG13 ILE A 5 -0.933 0.803 4.189 1.00 21.25 H new ATOM 0 HG21 ILE A 5 -4.180 -1.014 4.619 1.00 40.23 H new ATOM 0 HG22 ILE A 5 -5.154 0.096 3.626 1.00 40.23 H new ATOM 0 HG23 ILE A 5 -4.029 -1.041 2.846 1.00 40.23 H new ATOM 0 HD11 ILE A 5 -0.587 -1.294 5.400 1.00 53.22 H new ATOM 0 HD12 ILE A 5 -1.853 -0.323 6.189 1.00 53.22 H new ATOM 0 HD13 ILE A 5 -2.301 -1.721 5.183 1.00 53.22 H new ATOM 95 N LEU A 6 -1.266 1.181 0.871 1.00 35.41 N ATOM 96 CA LEU A 6 -0.558 0.510 -0.222 1.00 74.31 C ATOM 97 C LEU A 6 0.611 -0.286 0.367 1.00 41.12 C ATOM 98 O LEU A 6 1.448 0.277 1.067 1.00 14.13 O ATOM 99 CB LEU A 6 -0.046 1.523 -1.286 1.00 40.41 C ATOM 100 CG LEU A 6 -1.131 2.312 -2.103 1.00 11.12 C ATOM 101 CD1 LEU A 6 -1.855 3.384 -1.256 1.00 1.31 C ATOM 102 CD2 LEU A 6 -0.516 2.936 -3.371 1.00 21.14 C ATOM 0 H LEU A 6 -0.755 1.971 1.264 1.00 35.41 H new ATOM 0 HA LEU A 6 -1.251 -0.161 -0.730 1.00 74.31 H new ATOM 0 HB2 LEU A 6 0.592 2.249 -0.782 1.00 40.41 H new ATOM 0 HB3 LEU A 6 0.583 0.982 -1.993 1.00 40.41 H new ATOM 0 HG LEU A 6 -1.888 1.587 -2.402 1.00 11.12 H new ATOM 0 HD11 LEU A 6 -2.593 3.897 -1.872 1.00 1.31 H new ATOM 0 HD12 LEU A 6 -2.355 2.906 -0.414 1.00 1.31 H new ATOM 0 HD13 LEU A 6 -1.128 4.106 -0.884 1.00 1.31 H new ATOM 0 HD21 LEU A 6 -1.286 3.477 -3.920 1.00 21.14 H new ATOM 0 HD22 LEU A 6 0.280 3.625 -3.088 1.00 21.14 H new ATOM 0 HD23 LEU A 6 -0.106 2.148 -4.002 1.00 21.14 H new ATOM 114 N ILE A 7 0.635 -1.598 0.120 1.00 50.31 N ATOM 115 CA ILE A 7 1.742 -2.472 0.520 1.00 34.44 C ATOM 116 C ILE A 7 2.613 -2.730 -0.707 1.00 73.54 C ATOM 117 O ILE A 7 2.102 -3.106 -1.753 1.00 32.12 O ATOM 118 CB ILE A 7 1.266 -3.859 1.125 1.00 61.33 C ATOM 119 CG1 ILE A 7 0.538 -3.699 2.502 1.00 3.02 C ATOM 120 CG2 ILE A 7 2.453 -4.839 1.276 1.00 53.43 C ATOM 121 CD1 ILE A 7 -0.814 -3.043 2.442 1.00 2.01 C ATOM 0 H ILE A 7 -0.117 -2.087 -0.366 1.00 50.31 H new ATOM 0 HA ILE A 7 2.293 -1.963 1.311 1.00 34.44 H new ATOM 0 HB ILE A 7 0.547 -4.268 0.415 1.00 61.33 H new ATOM 0 HG12 ILE A 7 0.425 -4.686 2.951 1.00 3.02 H new ATOM 0 HG13 ILE A 7 1.177 -3.117 3.167 1.00 3.02 H new ATOM 0 HG21 ILE A 7 2.096 -5.781 1.693 1.00 53.43 H new ATOM 0 HG22 ILE A 7 2.901 -5.021 0.299 1.00 53.43 H new ATOM 0 HG23 ILE A 7 3.199 -4.407 1.943 1.00 53.43 H new ATOM 0 HD11 ILE A 7 -1.233 -2.980 3.446 1.00 2.01 H new ATOM 0 HD12 ILE A 7 -0.714 -2.040 2.027 1.00 2.01 H new ATOM 0 HD13 ILE A 7 -1.477 -3.633 1.809 1.00 2.01 H new ATOM 133 N ASN A 8 3.916 -2.526 -0.563 1.00 63.11 N ATOM 134 CA ASN A 8 4.906 -2.914 -1.557 1.00 62.30 C ATOM 135 C ASN A 8 5.659 -4.130 -1.028 1.00 14.02 C ATOM 136 O ASN A 8 6.347 -4.038 -0.001 1.00 63.13 O ATOM 137 CB ASN A 8 5.897 -1.772 -1.830 1.00 1.11 C ATOM 138 CG ASN A 8 6.881 -2.085 -2.967 1.00 51.10 C ATOM 139 OD1 ASN A 8 8.059 -1.797 -2.860 1.00 64.11 O ATOM 140 ND2 ASN A 8 6.388 -2.633 -4.078 1.00 24.01 N ATOM 0 H ASN A 8 4.320 -2.080 0.260 1.00 63.11 H new ATOM 0 HA ASN A 8 4.401 -3.148 -2.494 1.00 62.30 H new ATOM 0 HB2 ASN A 8 5.341 -0.868 -2.078 1.00 1.11 H new ATOM 0 HB3 ASN A 8 6.458 -1.561 -0.920 1.00 1.11 H new ATOM 0 HD21 ASN A 8 7.003 -2.822 -4.869 1.00 24.01 H new ATOM 0 HD22 ASN A 8 5.396 -2.863 -4.136 1.00 24.01 H new ATOM 147 N THR A 9 5.511 -5.254 -1.718 1.00 15.41 N ATOM 148 CA THR A 9 6.161 -6.504 -1.351 1.00 13.20 C ATOM 149 C THR A 9 6.672 -7.203 -2.616 1.00 71.23 C ATOM 150 O THR A 9 5.890 -7.607 -3.486 1.00 10.24 O ATOM 151 CB THR A 9 5.211 -7.426 -0.493 1.00 75.50 C ATOM 152 OG1 THR A 9 5.767 -8.745 -0.349 1.00 33.51 O ATOM 153 CG2 THR A 9 3.788 -7.501 -1.070 1.00 25.31 C ATOM 0 H THR A 9 4.932 -5.323 -2.555 1.00 15.41 H new ATOM 0 HA THR A 9 7.017 -6.286 -0.713 1.00 13.20 H new ATOM 0 HB THR A 9 5.135 -6.967 0.493 1.00 75.50 H new ATOM 0 HG1 THR A 9 6.728 -8.677 -0.167 1.00 33.51 H new ATOM 0 HG21 THR A 9 3.175 -8.148 -0.443 1.00 25.31 H new ATOM 0 HG22 THR A 9 3.353 -6.502 -1.096 1.00 25.31 H new ATOM 0 HG23 THR A 9 3.826 -7.907 -2.081 1.00 25.31 H new ATOM 161 N ASN A 10 8.009 -7.267 -2.735 1.00 71.34 N ATOM 162 CA ASN A 10 8.694 -8.011 -3.809 1.00 23.33 C ATOM 163 C ASN A 10 8.843 -9.488 -3.411 1.00 74.32 C ATOM 164 O ASN A 10 9.076 -10.349 -4.263 1.00 14.22 O ATOM 165 CB ASN A 10 10.086 -7.397 -4.104 1.00 43.44 C ATOM 166 CG ASN A 10 10.040 -5.963 -4.636 1.00 24.31 C ATOM 167 OD1 ASN A 10 9.065 -5.533 -5.249 1.00 5.14 O ATOM 168 ND2 ASN A 10 11.114 -5.224 -4.431 1.00 70.33 N ATOM 0 H ASN A 10 8.648 -6.804 -2.088 1.00 71.34 H new ATOM 0 HA ASN A 10 8.091 -7.942 -4.714 1.00 23.33 H new ATOM 0 HB2 ASN A 10 10.679 -7.414 -3.190 1.00 43.44 H new ATOM 0 HB3 ASN A 10 10.601 -8.026 -4.830 1.00 43.44 H new ATOM 0 HD21 ASN A 10 11.150 -4.268 -4.785 1.00 70.33 H new ATOM 0 HD22 ASN A 10 11.908 -5.609 -3.919 1.00 70.33 H new ATOM 175 N ASN A 11 8.711 -9.763 -2.098 1.00 11.52 N ATOM 176 CA ASN A 11 8.781 -11.123 -1.547 1.00 71.14 C ATOM 177 C ASN A 11 7.495 -11.872 -1.931 1.00 64.14 C ATOM 178 O ASN A 11 6.446 -11.630 -1.334 1.00 70.41 O ATOM 179 CB ASN A 11 8.969 -11.065 -0.003 1.00 53.51 C ATOM 180 CG ASN A 11 9.120 -12.437 0.688 1.00 55.02 C ATOM 181 OD1 ASN A 11 8.637 -13.468 0.212 1.00 2.03 O ATOM 182 ND2 ASN A 11 9.765 -12.452 1.845 1.00 41.12 N ATOM 0 H ASN A 11 8.553 -9.044 -1.392 1.00 11.52 H new ATOM 0 HA ASN A 11 9.638 -11.657 -1.959 1.00 71.14 H new ATOM 0 HB2 ASN A 11 9.852 -10.465 0.218 1.00 53.51 H new ATOM 0 HB3 ASN A 11 8.114 -10.548 0.433 1.00 53.51 H new ATOM 0 HD21 ASN A 11 9.870 -13.327 2.359 1.00 41.12 H new ATOM 0 HD22 ASN A 11 10.157 -11.589 2.222 1.00 41.12 H new ATOM 189 N ASP A 12 7.620 -12.791 -2.910 1.00 61.42 N ATOM 190 CA ASP A 12 6.490 -13.504 -3.546 1.00 54.33 C ATOM 191 C ASP A 12 5.608 -14.218 -2.511 1.00 0.34 C ATOM 192 O ASP A 12 4.369 -14.135 -2.560 1.00 41.42 O ATOM 193 CB ASP A 12 7.035 -14.542 -4.559 1.00 43.55 C ATOM 194 CG ASP A 12 5.934 -15.245 -5.378 1.00 72.34 C ATOM 195 OD1 ASP A 12 5.490 -14.681 -6.400 1.00 73.30 O ATOM 196 OD2 ASP A 12 5.485 -16.347 -4.990 1.00 42.22 O ATOM 0 H ASP A 12 8.527 -13.065 -3.289 1.00 61.42 H new ATOM 0 HA ASP A 12 5.876 -12.763 -4.057 1.00 54.33 H new ATOM 0 HB2 ASP A 12 7.722 -14.043 -5.243 1.00 43.55 H new ATOM 0 HB3 ASP A 12 7.611 -15.294 -4.021 1.00 43.55 H new ATOM 201 N GLU A 13 6.278 -14.924 -1.591 1.00 2.35 N ATOM 202 CA GLU A 13 5.612 -15.721 -0.558 1.00 62.32 C ATOM 203 C GLU A 13 4.833 -14.815 0.411 1.00 61.44 C ATOM 204 O GLU A 13 3.705 -15.139 0.797 1.00 12.41 O ATOM 205 CB GLU A 13 6.636 -16.584 0.216 1.00 71.45 C ATOM 206 CG GLU A 13 7.502 -17.513 -0.663 1.00 64.12 C ATOM 207 CD GLU A 13 8.462 -18.387 0.167 1.00 20.03 C ATOM 208 OE1 GLU A 13 9.287 -17.827 0.918 1.00 62.41 O ATOM 209 OE2 GLU A 13 8.386 -19.634 0.090 1.00 32.01 O ATOM 0 H GLU A 13 7.296 -14.957 -1.544 1.00 2.35 H new ATOM 0 HA GLU A 13 4.904 -16.388 -1.051 1.00 62.32 H new ATOM 0 HB2 GLU A 13 7.295 -15.922 0.778 1.00 71.45 H new ATOM 0 HB3 GLU A 13 6.099 -17.193 0.943 1.00 71.45 H new ATOM 0 HG2 GLU A 13 6.852 -18.156 -1.256 1.00 64.12 H new ATOM 0 HG3 GLU A 13 8.079 -16.910 -1.364 1.00 64.12 H new ATOM 216 N LEU A 14 5.448 -13.670 0.770 1.00 70.21 N ATOM 217 CA LEU A 14 4.848 -12.675 1.677 1.00 13.23 C ATOM 218 C LEU A 14 3.581 -12.055 1.061 1.00 1.14 C ATOM 219 O LEU A 14 2.616 -11.827 1.790 1.00 12.11 O ATOM 220 CB LEU A 14 5.887 -11.579 2.037 1.00 4.15 C ATOM 221 CG LEU A 14 5.390 -10.355 2.881 1.00 33.22 C ATOM 222 CD1 LEU A 14 4.728 -10.778 4.211 1.00 74.30 C ATOM 223 CD2 LEU A 14 6.536 -9.366 3.136 1.00 53.11 C ATOM 0 H LEU A 14 6.377 -13.410 0.437 1.00 70.21 H new ATOM 0 HA LEU A 14 4.552 -13.183 2.595 1.00 13.23 H new ATOM 0 HB2 LEU A 14 6.701 -12.055 2.583 1.00 4.15 H new ATOM 0 HB3 LEU A 14 6.308 -11.197 1.107 1.00 4.15 H new ATOM 0 HG LEU A 14 4.621 -9.858 2.289 1.00 33.22 H new ATOM 0 HD11 LEU A 14 4.403 -9.891 4.754 1.00 74.30 H new ATOM 0 HD12 LEU A 14 3.866 -11.412 4.003 1.00 74.30 H new ATOM 0 HD13 LEU A 14 5.447 -11.330 4.816 1.00 74.30 H new ATOM 0 HD21 LEU A 14 6.167 -8.525 3.723 1.00 53.11 H new ATOM 0 HD22 LEU A 14 7.335 -9.868 3.682 1.00 53.11 H new ATOM 0 HD23 LEU A 14 6.921 -9.002 2.184 1.00 53.11 H new ATOM 235 N ILE A 15 3.579 -11.818 -0.280 1.00 23.22 N ATOM 236 CA ILE A 15 2.414 -11.213 -0.983 1.00 2.55 C ATOM 237 C ILE A 15 1.138 -12.042 -0.697 1.00 5.02 C ATOM 238 O ILE A 15 0.093 -11.498 -0.311 1.00 2.03 O ATOM 239 CB ILE A 15 2.606 -11.107 -2.559 1.00 52.01 C ATOM 240 CG1 ILE A 15 4.025 -10.580 -2.944 1.00 14.44 C ATOM 241 CG2 ILE A 15 1.512 -10.197 -3.175 1.00 35.52 C ATOM 242 CD1 ILE A 15 4.316 -10.483 -4.439 1.00 73.13 C ATOM 0 H ILE A 15 4.366 -12.035 -0.892 1.00 23.22 H new ATOM 0 HA ILE A 15 2.323 -10.198 -0.596 1.00 2.55 H new ATOM 0 HB ILE A 15 2.509 -12.114 -2.966 1.00 52.01 H new ATOM 0 HG12 ILE A 15 4.157 -9.592 -2.503 1.00 14.44 H new ATOM 0 HG13 ILE A 15 4.770 -11.234 -2.490 1.00 14.44 H new ATOM 0 HG21 ILE A 15 1.656 -10.134 -4.254 1.00 35.52 H new ATOM 0 HG22 ILE A 15 0.528 -10.617 -2.964 1.00 35.52 H new ATOM 0 HG23 ILE A 15 1.581 -9.200 -2.741 1.00 35.52 H new ATOM 0 HD11 ILE A 15 5.328 -10.106 -4.589 1.00 73.13 H new ATOM 0 HD12 ILE A 15 4.225 -11.470 -4.892 1.00 73.13 H new ATOM 0 HD13 ILE A 15 3.603 -9.803 -4.905 1.00 73.13 H new ATOM 254 N LYS A 16 1.290 -13.373 -0.841 1.00 51.54 N ATOM 255 CA LYS A 16 0.224 -14.367 -0.607 1.00 51.11 C ATOM 256 C LYS A 16 -0.301 -14.295 0.842 1.00 23.44 C ATOM 257 O LYS A 16 -1.518 -14.262 1.072 1.00 31.33 O ATOM 258 CB LYS A 16 0.772 -15.797 -0.896 1.00 43.41 C ATOM 259 CG LYS A 16 1.273 -16.034 -2.343 1.00 61.50 C ATOM 260 CD LYS A 16 0.145 -15.944 -3.403 1.00 74.31 C ATOM 261 CE LYS A 16 -0.957 -17.003 -3.206 1.00 31.44 C ATOM 262 NZ LYS A 16 -2.028 -16.884 -4.226 1.00 11.21 N ATOM 0 H LYS A 16 2.173 -13.795 -1.128 1.00 51.54 H new ATOM 0 HA LYS A 16 -0.604 -14.144 -1.279 1.00 51.11 H new ATOM 0 HB2 LYS A 16 1.592 -16.000 -0.207 1.00 43.41 H new ATOM 0 HB3 LYS A 16 -0.014 -16.520 -0.678 1.00 43.41 H new ATOM 0 HG2 LYS A 16 2.043 -15.300 -2.579 1.00 61.50 H new ATOM 0 HG3 LYS A 16 1.741 -17.017 -2.402 1.00 61.50 H new ATOM 0 HD2 LYS A 16 -0.303 -14.951 -3.364 1.00 74.31 H new ATOM 0 HD3 LYS A 16 0.578 -16.060 -4.396 1.00 74.31 H new ATOM 0 HE2 LYS A 16 -0.517 -17.999 -3.257 1.00 31.44 H new ATOM 0 HE3 LYS A 16 -1.390 -16.896 -2.211 1.00 31.44 H new ATOM 0 HZ1 LYS A 16 -2.750 -17.614 -4.058 1.00 11.21 H new ATOM 0 HZ2 LYS A 16 -2.466 -15.943 -4.161 1.00 11.21 H new ATOM 0 HZ3 LYS A 16 -1.620 -17.012 -5.174 1.00 11.21 H new ATOM 276 N LYS A 17 0.648 -14.249 1.798 1.00 64.01 N ATOM 277 CA LYS A 17 0.360 -14.260 3.248 1.00 52.44 C ATOM 278 C LYS A 17 -0.424 -13.010 3.680 1.00 25.21 C ATOM 279 O LYS A 17 -1.375 -13.113 4.473 1.00 15.24 O ATOM 280 CB LYS A 17 1.689 -14.378 4.036 1.00 52.44 C ATOM 281 CG LYS A 17 2.469 -15.678 3.736 1.00 21.25 C ATOM 282 CD LYS A 17 3.851 -15.737 4.420 1.00 3.24 C ATOM 283 CE LYS A 17 3.771 -15.729 5.960 1.00 74.42 C ATOM 284 NZ LYS A 17 5.104 -15.907 6.578 1.00 25.10 N ATOM 0 H LYS A 17 1.644 -14.203 1.585 1.00 64.01 H new ATOM 0 HA LYS A 17 -0.269 -15.122 3.470 1.00 52.44 H new ATOM 0 HB2 LYS A 17 2.320 -13.522 3.799 1.00 52.44 H new ATOM 0 HB3 LYS A 17 1.475 -14.330 5.104 1.00 52.44 H new ATOM 0 HG2 LYS A 17 1.875 -16.532 4.061 1.00 21.25 H new ATOM 0 HG3 LYS A 17 2.601 -15.773 2.658 1.00 21.25 H new ATOM 0 HD2 LYS A 17 4.371 -16.638 4.095 1.00 3.24 H new ATOM 0 HD3 LYS A 17 4.449 -14.887 4.090 1.00 3.24 H new ATOM 0 HE2 LYS A 17 3.336 -14.788 6.297 1.00 74.42 H new ATOM 0 HE3 LYS A 17 3.106 -16.525 6.294 1.00 74.42 H new ATOM 0 HZ1 LYS A 17 5.023 -16.533 7.404 1.00 25.10 H new ATOM 0 HZ2 LYS A 17 5.754 -16.330 5.885 1.00 25.10 H new ATOM 0 HZ3 LYS A 17 5.473 -14.983 6.879 1.00 25.10 H new ATOM 298 N ILE A 18 -0.024 -11.840 3.141 1.00 3.35 N ATOM 299 CA ILE A 18 -0.701 -10.557 3.398 1.00 22.54 C ATOM 300 C ILE A 18 -2.158 -10.656 2.958 1.00 2.54 C ATOM 301 O ILE A 18 -3.045 -10.379 3.751 1.00 31.53 O ATOM 302 CB ILE A 18 0.005 -9.344 2.678 1.00 22.24 C ATOM 303 CG1 ILE A 18 1.482 -9.226 3.155 1.00 21.23 C ATOM 304 CG2 ILE A 18 -0.756 -8.004 2.910 1.00 63.31 C ATOM 305 CD1 ILE A 18 2.313 -8.177 2.441 1.00 11.52 C ATOM 0 H ILE A 18 0.778 -11.761 2.516 1.00 3.35 H new ATOM 0 HA ILE A 18 -0.645 -10.363 4.469 1.00 22.54 H new ATOM 0 HB ILE A 18 -0.010 -9.540 1.606 1.00 22.24 H new ATOM 0 HG12 ILE A 18 1.485 -9.003 4.222 1.00 21.23 H new ATOM 0 HG13 ILE A 18 1.965 -10.195 3.030 1.00 21.23 H new ATOM 0 HG21 ILE A 18 -0.235 -7.196 2.397 1.00 63.31 H new ATOM 0 HG22 ILE A 18 -1.770 -8.089 2.518 1.00 63.31 H new ATOM 0 HG23 ILE A 18 -0.797 -7.789 3.978 1.00 63.31 H new ATOM 0 HD11 ILE A 18 3.324 -8.176 2.847 1.00 11.52 H new ATOM 0 HD12 ILE A 18 2.350 -8.405 1.376 1.00 11.52 H new ATOM 0 HD13 ILE A 18 1.862 -7.195 2.586 1.00 11.52 H new ATOM 317 N LYS A 19 -2.377 -11.127 1.709 1.00 31.01 N ATOM 318 CA LYS A 19 -3.729 -11.282 1.123 1.00 71.14 C ATOM 319 C LYS A 19 -4.673 -12.095 2.029 1.00 71.53 C ATOM 320 O LYS A 19 -5.851 -11.743 2.171 1.00 15.14 O ATOM 321 CB LYS A 19 -3.636 -11.940 -0.275 1.00 43.43 C ATOM 322 CG LYS A 19 -2.889 -11.081 -1.310 1.00 41.32 C ATOM 323 CD LYS A 19 -2.874 -11.714 -2.718 1.00 52.31 C ATOM 324 CE LYS A 19 -2.183 -10.815 -3.748 1.00 65.41 C ATOM 325 NZ LYS A 19 -2.294 -11.355 -5.121 1.00 51.55 N ATOM 0 H LYS A 19 -1.625 -11.409 1.081 1.00 31.01 H new ATOM 0 HA LYS A 19 -4.153 -10.282 1.028 1.00 71.14 H new ATOM 0 HB2 LYS A 19 -3.132 -12.902 -0.182 1.00 43.43 H new ATOM 0 HB3 LYS A 19 -4.643 -12.141 -0.641 1.00 43.43 H new ATOM 0 HG2 LYS A 19 -3.357 -10.098 -1.364 1.00 41.32 H new ATOM 0 HG3 LYS A 19 -1.863 -10.928 -0.975 1.00 41.32 H new ATOM 0 HD2 LYS A 19 -2.363 -12.676 -2.677 1.00 52.31 H new ATOM 0 HD3 LYS A 19 -3.898 -11.910 -3.038 1.00 52.31 H new ATOM 0 HE2 LYS A 19 -2.625 -9.819 -3.714 1.00 65.41 H new ATOM 0 HE3 LYS A 19 -1.131 -10.706 -3.486 1.00 65.41 H new ATOM 0 HZ1 LYS A 19 -2.333 -10.569 -5.801 1.00 51.55 H new ATOM 0 HZ2 LYS A 19 -1.467 -11.951 -5.328 1.00 51.55 H new ATOM 0 HZ3 LYS A 19 -3.160 -11.925 -5.201 1.00 51.55 H new ATOM 339 N LYS A 20 -4.134 -13.157 2.662 1.00 71.31 N ATOM 340 CA LYS A 20 -4.902 -13.995 3.605 1.00 14.04 C ATOM 341 C LYS A 20 -5.310 -13.170 4.842 1.00 41.45 C ATOM 342 O LYS A 20 -6.469 -13.212 5.266 1.00 22.34 O ATOM 343 CB LYS A 20 -4.095 -15.248 4.055 1.00 3.43 C ATOM 344 CG LYS A 20 -3.529 -16.161 2.931 1.00 35.32 C ATOM 345 CD LYS A 20 -4.592 -16.670 1.901 1.00 62.02 C ATOM 346 CE LYS A 20 -4.602 -15.861 0.588 1.00 52.13 C ATOM 347 NZ LYS A 20 -5.726 -16.233 -0.297 1.00 71.33 N ATOM 0 H LYS A 20 -3.167 -13.455 2.536 1.00 71.31 H new ATOM 0 HA LYS A 20 -5.795 -14.338 3.082 1.00 14.04 H new ATOM 0 HB2 LYS A 20 -3.261 -14.911 4.671 1.00 3.43 H new ATOM 0 HB3 LYS A 20 -4.738 -15.854 4.693 1.00 3.43 H new ATOM 0 HG2 LYS A 20 -2.755 -15.613 2.393 1.00 35.32 H new ATOM 0 HG3 LYS A 20 -3.047 -17.024 3.391 1.00 35.32 H new ATOM 0 HD2 LYS A 20 -4.395 -17.718 1.673 1.00 62.02 H new ATOM 0 HD3 LYS A 20 -5.581 -16.623 2.356 1.00 62.02 H new ATOM 0 HE2 LYS A 20 -4.663 -14.798 0.820 1.00 52.13 H new ATOM 0 HE3 LYS A 20 -3.661 -16.018 0.061 1.00 52.13 H new ATOM 0 HZ1 LYS A 20 -5.515 -15.935 -1.271 1.00 71.33 H new ATOM 0 HZ2 LYS A 20 -5.861 -17.264 -0.272 1.00 71.33 H new ATOM 0 HZ3 LYS A 20 -6.594 -15.762 0.028 1.00 71.33 H new ATOM 361 N GLU A 21 -4.342 -12.416 5.400 1.00 22.22 N ATOM 362 CA GLU A 21 -4.552 -11.569 6.596 1.00 4.23 C ATOM 363 C GLU A 21 -5.596 -10.464 6.344 1.00 22.43 C ATOM 364 O GLU A 21 -6.405 -10.173 7.219 1.00 32.31 O ATOM 365 CB GLU A 21 -3.198 -10.961 7.061 1.00 13.41 C ATOM 366 CG GLU A 21 -2.134 -12.011 7.460 1.00 10.31 C ATOM 367 CD GLU A 21 -2.603 -12.941 8.600 1.00 62.02 C ATOM 368 OE1 GLU A 21 -2.377 -12.610 9.782 1.00 11.23 O ATOM 369 OE2 GLU A 21 -3.224 -13.992 8.320 1.00 63.12 O ATOM 0 H GLU A 21 -3.390 -12.376 5.035 1.00 22.22 H new ATOM 0 HA GLU A 21 -4.948 -12.202 7.390 1.00 4.23 H new ATOM 0 HB2 GLU A 21 -2.797 -10.341 6.260 1.00 13.41 H new ATOM 0 HB3 GLU A 21 -3.381 -10.304 7.912 1.00 13.41 H new ATOM 0 HG2 GLU A 21 -1.881 -12.614 6.588 1.00 10.31 H new ATOM 0 HG3 GLU A 21 -1.223 -11.498 7.768 1.00 10.31 H new ATOM 376 N VAL A 22 -5.578 -9.895 5.129 1.00 34.34 N ATOM 377 CA VAL A 22 -6.514 -8.837 4.690 1.00 30.51 C ATOM 378 C VAL A 22 -7.958 -9.379 4.628 1.00 54.21 C ATOM 379 O VAL A 22 -8.914 -8.668 4.971 1.00 3.44 O ATOM 380 CB VAL A 22 -6.079 -8.275 3.292 1.00 11.35 C ATOM 381 CG1 VAL A 22 -7.012 -7.148 2.790 1.00 34.30 C ATOM 382 CG2 VAL A 22 -4.617 -7.793 3.337 1.00 71.51 C ATOM 0 H VAL A 22 -4.904 -10.158 4.410 1.00 34.34 H new ATOM 0 HA VAL A 22 -6.485 -8.026 5.417 1.00 30.51 H new ATOM 0 HB VAL A 22 -6.161 -9.094 2.577 1.00 11.35 H new ATOM 0 HG11 VAL A 22 -6.666 -6.795 1.819 1.00 34.30 H new ATOM 0 HG12 VAL A 22 -8.028 -7.532 2.696 1.00 34.30 H new ATOM 0 HG13 VAL A 22 -7.001 -6.322 3.501 1.00 34.30 H new ATOM 0 HG21 VAL A 22 -4.331 -7.406 2.359 1.00 71.51 H new ATOM 0 HG22 VAL A 22 -4.517 -7.004 4.083 1.00 71.51 H new ATOM 0 HG23 VAL A 22 -3.967 -8.627 3.601 1.00 71.51 H new ATOM 392 N GLU A 23 -8.090 -10.658 4.215 1.00 13.15 N ATOM 393 CA GLU A 23 -9.378 -11.375 4.218 1.00 33.15 C ATOM 394 C GLU A 23 -9.879 -11.553 5.665 1.00 52.14 C ATOM 395 O GLU A 23 -11.066 -11.352 5.947 1.00 33.00 O ATOM 396 CB GLU A 23 -9.244 -12.759 3.533 1.00 60.45 C ATOM 397 CG GLU A 23 -8.939 -12.697 2.027 1.00 43.21 C ATOM 398 CD GLU A 23 -8.732 -14.088 1.411 1.00 12.43 C ATOM 399 OE1 GLU A 23 -9.727 -14.746 1.045 1.00 35.44 O ATOM 400 OE2 GLU A 23 -7.580 -14.550 1.321 1.00 32.43 O ATOM 0 H GLU A 23 -7.309 -11.218 3.872 1.00 13.15 H new ATOM 0 HA GLU A 23 -10.100 -10.782 3.656 1.00 33.15 H new ATOM 0 HB2 GLU A 23 -8.452 -13.321 4.029 1.00 60.45 H new ATOM 0 HB3 GLU A 23 -10.170 -13.315 3.681 1.00 60.45 H new ATOM 0 HG2 GLU A 23 -9.759 -12.194 1.514 1.00 43.21 H new ATOM 0 HG3 GLU A 23 -8.045 -12.095 1.865 1.00 43.21 H new ATOM 407 N ASN A 24 -8.946 -11.905 6.583 1.00 1.23 N ATOM 408 CA ASN A 24 -9.254 -12.089 8.020 1.00 11.12 C ATOM 409 C ASN A 24 -9.634 -10.746 8.686 1.00 0.40 C ATOM 410 O ASN A 24 -10.424 -10.720 9.636 1.00 73.30 O ATOM 411 CB ASN A 24 -8.058 -12.734 8.779 1.00 35.23 C ATOM 412 CG ASN A 24 -7.772 -14.186 8.380 1.00 12.24 C ATOM 413 OD1 ASN A 24 -8.550 -15.088 8.689 1.00 1.21 O ATOM 414 ND2 ASN A 24 -6.632 -14.439 7.752 1.00 44.00 N ATOM 0 H ASN A 24 -7.967 -12.068 6.349 1.00 1.23 H new ATOM 0 HA ASN A 24 -10.107 -12.764 8.081 1.00 11.12 H new ATOM 0 HB2 ASN A 24 -7.164 -12.137 8.600 1.00 35.23 H new ATOM 0 HB3 ASN A 24 -8.258 -12.696 9.850 1.00 35.23 H new ATOM 0 HD21 ASN A 24 -6.383 -15.399 7.514 1.00 44.00 H new ATOM 0 HD22 ASN A 24 -6.004 -13.674 7.507 1.00 44.00 H new ATOM 421 N GLN A 25 -9.062 -9.640 8.168 1.00 51.35 N ATOM 422 CA GLN A 25 -9.350 -8.266 8.647 1.00 72.10 C ATOM 423 C GLN A 25 -10.687 -7.750 8.076 1.00 72.11 C ATOM 424 O GLN A 25 -11.282 -6.814 8.624 1.00 60.31 O ATOM 425 CB GLN A 25 -8.194 -7.299 8.248 1.00 71.41 C ATOM 426 CG GLN A 25 -6.835 -7.574 8.936 1.00 33.51 C ATOM 427 CD GLN A 25 -6.825 -7.300 10.448 1.00 23.34 C ATOM 428 OE1 GLN A 25 -7.552 -6.445 10.947 1.00 51.21 O ATOM 429 NE2 GLN A 25 -5.983 -8.009 11.180 1.00 35.32 N ATOM 0 H GLN A 25 -8.386 -9.671 7.405 1.00 51.35 H new ATOM 0 HA GLN A 25 -9.429 -8.299 9.734 1.00 72.10 H new ATOM 0 HB2 GLN A 25 -8.054 -7.353 7.168 1.00 71.41 H new ATOM 0 HB3 GLN A 25 -8.500 -6.279 8.479 1.00 71.41 H new ATOM 0 HG2 GLN A 25 -6.559 -8.614 8.765 1.00 33.51 H new ATOM 0 HG3 GLN A 25 -6.070 -6.959 8.462 1.00 33.51 H new ATOM 0 HE21 GLN A 25 -5.391 -8.713 10.739 1.00 35.32 H new ATOM 0 HE22 GLN A 25 -5.925 -7.852 12.186 1.00 35.32 H new ATOM 438 N GLY A 26 -11.138 -8.356 6.963 1.00 44.21 N ATOM 439 CA GLY A 26 -12.399 -7.980 6.314 1.00 24.05 C ATOM 440 C GLY A 26 -12.252 -6.792 5.367 1.00 23.42 C ATOM 441 O GLY A 26 -13.226 -6.081 5.095 1.00 65.12 O ATOM 0 H GLY A 26 -10.641 -9.113 6.494 1.00 44.21 H new ATOM 0 HA2 GLY A 26 -12.784 -8.835 5.758 1.00 24.05 H new ATOM 0 HA3 GLY A 26 -13.137 -7.738 7.079 1.00 24.05 H new ATOM 445 N TYR A 27 -11.019 -6.561 4.891 1.00 52.01 N ATOM 446 CA TYR A 27 -10.701 -5.513 3.898 1.00 15.32 C ATOM 447 C TYR A 27 -10.655 -6.127 2.496 1.00 23.11 C ATOM 448 O TYR A 27 -10.487 -7.346 2.335 1.00 33.00 O ATOM 449 CB TYR A 27 -9.345 -4.820 4.238 1.00 61.12 C ATOM 450 CG TYR A 27 -9.391 -3.894 5.463 1.00 25.31 C ATOM 451 CD1 TYR A 27 -9.874 -4.343 6.691 1.00 30.32 C ATOM 452 CD2 TYR A 27 -8.959 -2.567 5.389 1.00 42.13 C ATOM 453 CE1 TYR A 27 -9.930 -3.521 7.787 1.00 42.03 C ATOM 454 CE2 TYR A 27 -9.012 -1.743 6.490 1.00 2.32 C ATOM 455 CZ TYR A 27 -9.501 -2.223 7.686 1.00 2.23 C ATOM 456 OH TYR A 27 -9.543 -1.400 8.792 1.00 61.51 O ATOM 0 H TYR A 27 -10.204 -7.099 5.185 1.00 52.01 H new ATOM 0 HA TYR A 27 -11.482 -4.753 3.928 1.00 15.32 H new ATOM 0 HB2 TYR A 27 -8.591 -5.589 4.408 1.00 61.12 H new ATOM 0 HB3 TYR A 27 -9.021 -4.241 3.373 1.00 61.12 H new ATOM 0 HD1 TYR A 27 -10.213 -5.364 6.782 1.00 30.32 H new ATOM 0 HD2 TYR A 27 -8.578 -2.183 4.454 1.00 42.13 H new ATOM 0 HE1 TYR A 27 -10.311 -3.895 8.726 1.00 42.03 H new ATOM 0 HE2 TYR A 27 -8.671 -0.721 6.417 1.00 2.32 H new ATOM 0 HH TYR A 27 -8.698 -1.469 9.283 1.00 61.51 H new ATOM 466 N GLN A 28 -10.824 -5.271 1.485 1.00 71.45 N ATOM 467 CA GLN A 28 -10.866 -5.684 0.078 1.00 5.33 C ATOM 468 C GLN A 28 -9.425 -5.828 -0.439 1.00 43.34 C ATOM 469 O GLN A 28 -8.691 -4.829 -0.493 1.00 25.41 O ATOM 470 CB GLN A 28 -11.658 -4.645 -0.776 1.00 12.04 C ATOM 471 CG GLN A 28 -13.158 -4.463 -0.411 1.00 1.43 C ATOM 472 CD GLN A 28 -13.417 -3.790 0.951 1.00 52.42 C ATOM 473 OE1 GLN A 28 -13.563 -4.459 1.976 1.00 63.11 O ATOM 474 NE2 GLN A 28 -13.439 -2.464 0.972 1.00 73.41 N ATOM 0 H GLN A 28 -10.936 -4.266 1.619 1.00 71.45 H new ATOM 0 HA GLN A 28 -11.380 -6.641 -0.007 1.00 5.33 H new ATOM 0 HB2 GLN A 28 -11.163 -3.678 -0.686 1.00 12.04 H new ATOM 0 HB3 GLN A 28 -11.593 -4.940 -1.823 1.00 12.04 H new ATOM 0 HG2 GLN A 28 -13.637 -3.870 -1.190 1.00 1.43 H new ATOM 0 HG3 GLN A 28 -13.639 -5.441 -0.414 1.00 1.43 H new ATOM 0 HE21 GLN A 28 -13.315 -1.938 0.107 1.00 73.41 H new ATOM 0 HE22 GLN A 28 -13.580 -1.970 1.853 1.00 73.41 H new ATOM 483 N VAL A 29 -9.011 -7.077 -0.748 1.00 73.41 N ATOM 484 CA VAL A 29 -7.711 -7.359 -1.380 1.00 55.52 C ATOM 485 C VAL A 29 -7.739 -6.864 -2.837 1.00 23.24 C ATOM 486 O VAL A 29 -8.311 -7.516 -3.724 1.00 33.22 O ATOM 487 CB VAL A 29 -7.336 -8.892 -1.360 1.00 21.21 C ATOM 488 CG1 VAL A 29 -5.929 -9.135 -1.973 1.00 75.53 C ATOM 489 CG2 VAL A 29 -7.427 -9.491 0.062 1.00 3.15 C ATOM 0 H VAL A 29 -9.568 -7.912 -0.566 1.00 73.41 H new ATOM 0 HA VAL A 29 -6.951 -6.834 -0.801 1.00 55.52 H new ATOM 0 HB VAL A 29 -8.071 -9.408 -1.979 1.00 21.21 H new ATOM 0 HG11 VAL A 29 -5.699 -10.200 -1.945 1.00 75.53 H new ATOM 0 HG12 VAL A 29 -5.917 -8.788 -3.006 1.00 75.53 H new ATOM 0 HG13 VAL A 29 -5.182 -8.587 -1.398 1.00 75.53 H new ATOM 0 HG21 VAL A 29 -7.161 -10.547 0.029 1.00 3.15 H new ATOM 0 HG22 VAL A 29 -6.740 -8.964 0.724 1.00 3.15 H new ATOM 0 HG23 VAL A 29 -8.445 -9.385 0.437 1.00 3.15 H new ATOM 499 N ARG A 30 -7.159 -5.690 -3.059 1.00 42.42 N ATOM 500 CA ARG A 30 -7.072 -5.080 -4.383 1.00 65.02 C ATOM 501 C ARG A 30 -5.585 -4.898 -4.714 1.00 1.24 C ATOM 502 O ARG A 30 -4.938 -4.050 -4.131 1.00 25.03 O ATOM 503 CB ARG A 30 -7.841 -3.722 -4.340 1.00 4.34 C ATOM 504 CG ARG A 30 -8.224 -3.114 -5.710 1.00 45.00 C ATOM 505 CD ARG A 30 -9.434 -3.804 -6.385 1.00 4.11 C ATOM 506 NE ARG A 30 -9.231 -5.249 -6.609 1.00 65.43 N ATOM 507 CZ ARG A 30 -10.191 -6.190 -6.566 1.00 44.13 C ATOM 508 NH1 ARG A 30 -11.451 -5.868 -6.316 1.00 60.22 N ATOM 509 NH2 ARG A 30 -9.870 -7.458 -6.763 1.00 31.24 N ATOM 0 H ARG A 30 -6.733 -5.130 -2.321 1.00 42.42 H new ATOM 0 HA ARG A 30 -7.523 -5.697 -5.160 1.00 65.02 H new ATOM 0 HB2 ARG A 30 -8.753 -3.862 -3.760 1.00 4.34 H new ATOM 0 HB3 ARG A 30 -7.229 -2.998 -3.802 1.00 4.34 H new ATOM 0 HG2 ARG A 30 -8.449 -2.056 -5.577 1.00 45.00 H new ATOM 0 HG3 ARG A 30 -7.364 -3.176 -6.377 1.00 45.00 H new ATOM 0 HD2 ARG A 30 -10.318 -3.660 -5.764 1.00 4.11 H new ATOM 0 HD3 ARG A 30 -9.633 -3.320 -7.341 1.00 4.11 H new ATOM 0 HE ARG A 30 -8.282 -5.560 -6.814 1.00 65.43 H new ATOM 0 HH11 ARG A 30 -11.706 -4.894 -6.152 1.00 60.22 H new ATOM 0 HH12 ARG A 30 -12.167 -6.594 -6.287 1.00 60.22 H new ATOM 0 HH21 ARG A 30 -8.900 -7.716 -6.946 1.00 31.24 H new ATOM 0 HH22 ARG A 30 -10.592 -8.178 -6.732 1.00 31.24 H new ATOM 523 N ASP A 31 -5.032 -5.710 -5.632 1.00 52.44 N ATOM 524 CA ASP A 31 -3.569 -5.742 -5.868 1.00 32.24 C ATOM 525 C ASP A 31 -3.219 -5.461 -7.338 1.00 43.34 C ATOM 526 O ASP A 31 -3.604 -6.207 -8.248 1.00 41.33 O ATOM 527 CB ASP A 31 -2.941 -7.077 -5.364 1.00 1.20 C ATOM 528 CG ASP A 31 -3.622 -8.343 -5.904 1.00 72.23 C ATOM 529 OD1 ASP A 31 -4.636 -8.778 -5.316 1.00 63.33 O ATOM 530 OD2 ASP A 31 -3.134 -8.932 -6.897 1.00 11.15 O ATOM 0 H ASP A 31 -5.566 -6.349 -6.220 1.00 52.44 H new ATOM 0 HA ASP A 31 -3.128 -4.936 -5.282 1.00 32.24 H new ATOM 0 HB2 ASP A 31 -1.888 -7.098 -5.645 1.00 1.20 H new ATOM 0 HB3 ASP A 31 -2.981 -7.094 -4.275 1.00 1.20 H new ATOM 535 N VAL A 32 -2.496 -4.353 -7.528 1.00 50.14 N ATOM 536 CA VAL A 32 -1.945 -3.910 -8.808 1.00 71.01 C ATOM 537 C VAL A 32 -0.662 -4.684 -9.141 1.00 54.52 C ATOM 538 O VAL A 32 0.256 -4.759 -8.310 1.00 14.34 O ATOM 539 CB VAL A 32 -1.588 -2.381 -8.757 1.00 42.32 C ATOM 540 CG1 VAL A 32 -1.050 -1.873 -10.117 1.00 63.53 C ATOM 541 CG2 VAL A 32 -2.788 -1.539 -8.281 1.00 2.11 C ATOM 0 H VAL A 32 -2.271 -3.717 -6.763 1.00 50.14 H new ATOM 0 HA VAL A 32 -2.702 -4.093 -9.570 1.00 71.01 H new ATOM 0 HB VAL A 32 -0.789 -2.261 -8.026 1.00 42.32 H new ATOM 0 HG11 VAL A 32 -0.814 -0.811 -10.041 1.00 63.53 H new ATOM 0 HG12 VAL A 32 -0.149 -2.427 -10.382 1.00 63.53 H new ATOM 0 HG13 VAL A 32 -1.807 -2.023 -10.887 1.00 63.53 H new ATOM 0 HG21 VAL A 32 -2.507 -0.486 -8.257 1.00 2.11 H new ATOM 0 HG22 VAL A 32 -3.624 -1.676 -8.967 1.00 2.11 H new ATOM 0 HG23 VAL A 32 -3.083 -1.859 -7.282 1.00 2.11 H new ATOM 551 N ASN A 33 -0.591 -5.230 -10.361 1.00 24.51 N ATOM 552 CA ASN A 33 0.628 -5.880 -10.885 1.00 41.30 C ATOM 553 C ASN A 33 0.917 -5.403 -12.320 1.00 14.12 C ATOM 554 O ASN A 33 1.734 -6.005 -13.021 1.00 53.23 O ATOM 555 CB ASN A 33 0.489 -7.430 -10.825 1.00 44.42 C ATOM 556 CG ASN A 33 0.272 -7.959 -9.402 1.00 64.12 C ATOM 557 OD1 ASN A 33 1.225 -8.194 -8.667 1.00 74.12 O ATOM 558 ND2 ASN A 33 -0.982 -8.146 -9.005 1.00 75.22 N ATOM 0 H ASN A 33 -1.373 -5.236 -11.016 1.00 24.51 H new ATOM 0 HA ASN A 33 1.473 -5.595 -10.258 1.00 41.30 H new ATOM 0 HB2 ASN A 33 -0.347 -7.739 -11.453 1.00 44.42 H new ATOM 0 HB3 ASN A 33 1.387 -7.886 -11.243 1.00 44.42 H new ATOM 0 HD21 ASN A 33 -1.173 -8.494 -8.065 1.00 75.22 H new ATOM 0 HD22 ASN A 33 -1.754 -7.941 -9.640 1.00 75.22 H new ATOM 565 N ASP A 34 0.261 -4.289 -12.728 1.00 74.41 N ATOM 566 CA ASP A 34 0.363 -3.722 -14.098 1.00 20.23 C ATOM 567 C ASP A 34 -0.098 -2.241 -14.108 1.00 64.11 C ATOM 568 O ASP A 34 -0.934 -1.835 -13.294 1.00 52.01 O ATOM 569 CB ASP A 34 -0.479 -4.587 -15.086 1.00 63.45 C ATOM 570 CG ASP A 34 -0.631 -3.992 -16.497 1.00 55.14 C ATOM 571 OD1 ASP A 34 0.324 -4.077 -17.290 1.00 30.31 O ATOM 572 OD2 ASP A 34 -1.690 -3.404 -16.804 1.00 43.21 O ATOM 0 H ASP A 34 -0.356 -3.756 -12.115 1.00 74.41 H new ATOM 0 HA ASP A 34 1.404 -3.744 -14.422 1.00 20.23 H new ATOM 0 HB2 ASP A 34 -0.017 -5.571 -15.170 1.00 63.45 H new ATOM 0 HB3 ASP A 34 -1.472 -4.736 -14.661 1.00 63.45 H new ATOM 577 N SER A 35 0.443 -1.462 -15.063 1.00 75.25 N ATOM 578 CA SER A 35 0.233 -0.004 -15.171 1.00 43.43 C ATOM 579 C SER A 35 -1.235 0.375 -15.495 1.00 63.45 C ATOM 580 O SER A 35 -1.747 1.385 -14.997 1.00 10.22 O ATOM 581 CB SER A 35 1.173 0.553 -16.254 1.00 34.23 C ATOM 582 OG SER A 35 2.508 0.111 -16.045 1.00 24.32 O ATOM 0 H SER A 35 1.049 -1.833 -15.795 1.00 75.25 H new ATOM 0 HA SER A 35 0.457 0.436 -14.199 1.00 43.43 H new ATOM 0 HB2 SER A 35 0.830 0.233 -17.238 1.00 34.23 H new ATOM 0 HB3 SER A 35 1.141 1.642 -16.244 1.00 34.23 H new ATOM 0 HG SER A 35 3.087 0.476 -16.746 1.00 24.32 H new ATOM 588 N ASP A 36 -1.914 -0.446 -16.316 1.00 72.01 N ATOM 589 CA ASP A 36 -3.320 -0.201 -16.713 1.00 63.03 C ATOM 590 C ASP A 36 -4.294 -0.717 -15.648 1.00 62.21 C ATOM 591 O ASP A 36 -5.467 -0.317 -15.624 1.00 52.25 O ATOM 592 CB ASP A 36 -3.631 -0.796 -18.113 1.00 35.32 C ATOM 593 CG ASP A 36 -3.132 0.109 -19.256 1.00 0.21 C ATOM 594 OD1 ASP A 36 -3.842 1.082 -19.607 1.00 0.34 O ATOM 595 OD2 ASP A 36 -2.029 -0.131 -19.787 1.00 52.33 O ATOM 0 H ASP A 36 -1.512 -1.291 -16.722 1.00 72.01 H new ATOM 0 HA ASP A 36 -3.458 0.878 -16.788 1.00 63.03 H new ATOM 0 HB2 ASP A 36 -3.165 -1.778 -18.200 1.00 35.32 H new ATOM 0 HB3 ASP A 36 -4.706 -0.943 -18.212 1.00 35.32 H new ATOM 600 N GLU A 37 -3.808 -1.619 -14.783 1.00 21.02 N ATOM 601 CA GLU A 37 -4.585 -2.111 -13.638 1.00 4.01 C ATOM 602 C GLU A 37 -4.706 -1.030 -12.544 1.00 0.41 C ATOM 603 O GLU A 37 -5.767 -0.905 -11.932 1.00 0.42 O ATOM 604 CB GLU A 37 -3.959 -3.415 -13.069 1.00 62.22 C ATOM 605 CG GLU A 37 -3.936 -4.603 -14.060 1.00 52.43 C ATOM 606 CD GLU A 37 -5.330 -5.109 -14.478 1.00 74.45 C ATOM 607 OE1 GLU A 37 -5.916 -5.940 -13.751 1.00 41.22 O ATOM 608 OE2 GLU A 37 -5.846 -4.691 -15.537 1.00 71.13 O ATOM 0 H GLU A 37 -2.875 -2.024 -14.856 1.00 21.02 H new ATOM 0 HA GLU A 37 -5.591 -2.343 -13.987 1.00 4.01 H new ATOM 0 HB2 GLU A 37 -2.938 -3.204 -12.751 1.00 62.22 H new ATOM 0 HB3 GLU A 37 -4.515 -3.711 -12.179 1.00 62.22 H new ATOM 0 HG2 GLU A 37 -3.388 -4.305 -14.954 1.00 52.43 H new ATOM 0 HG3 GLU A 37 -3.384 -5.427 -13.608 1.00 52.43 H new ATOM 615 N LEU A 38 -3.643 -0.220 -12.326 1.00 51.12 N ATOM 616 CA LEU A 38 -3.627 0.756 -11.210 1.00 40.34 C ATOM 617 C LEU A 38 -4.709 1.835 -11.404 1.00 1.35 C ATOM 618 O LEU A 38 -5.419 2.192 -10.458 1.00 20.44 O ATOM 619 CB LEU A 38 -2.192 1.373 -11.008 1.00 2.44 C ATOM 620 CG LEU A 38 -1.698 2.538 -11.958 1.00 70.03 C ATOM 621 CD1 LEU A 38 -2.137 3.932 -11.451 1.00 55.34 C ATOM 622 CD2 LEU A 38 -0.165 2.501 -12.154 1.00 52.24 C ATOM 0 H LEU A 38 -2.798 -0.222 -12.898 1.00 51.12 H new ATOM 0 HA LEU A 38 -3.870 0.224 -10.290 1.00 40.34 H new ATOM 0 HB2 LEU A 38 -2.138 1.743 -9.984 1.00 2.44 H new ATOM 0 HB3 LEU A 38 -1.473 0.558 -11.091 1.00 2.44 H new ATOM 0 HG LEU A 38 -2.175 2.368 -12.923 1.00 70.03 H new ATOM 0 HD11 LEU A 38 -1.775 4.699 -12.136 1.00 55.34 H new ATOM 0 HD12 LEU A 38 -3.225 3.975 -11.401 1.00 55.34 H new ATOM 0 HD13 LEU A 38 -1.721 4.106 -10.459 1.00 55.34 H new ATOM 0 HD21 LEU A 38 0.137 3.316 -12.812 1.00 52.24 H new ATOM 0 HD22 LEU A 38 0.328 2.612 -11.188 1.00 52.24 H new ATOM 0 HD23 LEU A 38 0.122 1.549 -12.600 1.00 52.24 H new ATOM 634 N LYS A 39 -4.850 2.303 -12.657 1.00 75.40 N ATOM 635 CA LYS A 39 -5.736 3.423 -13.005 1.00 63.14 C ATOM 636 C LYS A 39 -7.222 3.022 -12.871 1.00 1.20 C ATOM 637 O LYS A 39 -8.036 3.830 -12.418 1.00 31.43 O ATOM 638 CB LYS A 39 -5.404 3.937 -14.438 1.00 40.13 C ATOM 639 CG LYS A 39 -5.619 2.896 -15.567 1.00 21.44 C ATOM 640 CD LYS A 39 -5.115 3.356 -16.958 1.00 32.43 C ATOM 641 CE LYS A 39 -3.585 3.560 -17.023 1.00 20.23 C ATOM 642 NZ LYS A 39 -3.111 3.786 -18.416 1.00 34.21 N ATOM 0 H LYS A 39 -4.351 1.913 -13.457 1.00 75.40 H new ATOM 0 HA LYS A 39 -5.564 4.238 -12.302 1.00 63.14 H new ATOM 0 HB2 LYS A 39 -6.020 4.812 -14.647 1.00 40.13 H new ATOM 0 HB3 LYS A 39 -4.365 4.266 -14.459 1.00 40.13 H new ATOM 0 HG2 LYS A 39 -5.109 1.972 -15.296 1.00 21.44 H new ATOM 0 HG3 LYS A 39 -6.682 2.665 -15.636 1.00 21.44 H new ATOM 0 HD2 LYS A 39 -5.407 2.617 -17.704 1.00 32.43 H new ATOM 0 HD3 LYS A 39 -5.610 4.290 -17.224 1.00 32.43 H new ATOM 0 HE2 LYS A 39 -3.306 4.412 -16.403 1.00 20.23 H new ATOM 0 HE3 LYS A 39 -3.085 2.685 -16.607 1.00 20.23 H new ATOM 0 HZ1 LYS A 39 -2.087 3.969 -18.409 1.00 34.21 H new ATOM 0 HZ2 LYS A 39 -3.308 2.942 -18.991 1.00 34.21 H new ATOM 0 HZ3 LYS A 39 -3.606 4.605 -18.822 1.00 34.21 H new ATOM 656 N LYS A 40 -7.549 1.755 -13.226 1.00 14.10 N ATOM 657 CA LYS A 40 -8.935 1.230 -13.175 1.00 30.11 C ATOM 658 C LYS A 40 -9.362 0.931 -11.711 1.00 41.34 C ATOM 659 O LYS A 40 -10.558 0.963 -11.384 1.00 12.24 O ATOM 660 CB LYS A 40 -9.078 -0.027 -14.095 1.00 12.12 C ATOM 661 CG LYS A 40 -8.274 -1.262 -13.663 1.00 62.20 C ATOM 662 CD LYS A 40 -8.345 -2.438 -14.670 1.00 61.15 C ATOM 663 CE LYS A 40 -9.750 -3.046 -14.827 1.00 31.42 C ATOM 664 NZ LYS A 40 -9.726 -4.284 -15.647 1.00 74.54 N ATOM 0 H LYS A 40 -6.865 1.073 -13.553 1.00 14.10 H new ATOM 0 HA LYS A 40 -9.612 1.995 -13.556 1.00 30.11 H new ATOM 0 HB2 LYS A 40 -10.132 -0.301 -14.144 1.00 12.12 H new ATOM 0 HB3 LYS A 40 -8.773 0.248 -15.105 1.00 12.12 H new ATOM 0 HG2 LYS A 40 -7.231 -0.976 -13.526 1.00 62.20 H new ATOM 0 HG3 LYS A 40 -8.641 -1.602 -12.695 1.00 62.20 H new ATOM 0 HD2 LYS A 40 -8.000 -2.090 -15.644 1.00 61.15 H new ATOM 0 HD3 LYS A 40 -7.656 -3.219 -14.349 1.00 61.15 H new ATOM 0 HE2 LYS A 40 -10.161 -3.270 -13.843 1.00 31.42 H new ATOM 0 HE3 LYS A 40 -10.413 -2.315 -15.291 1.00 31.42 H new ATOM 0 HZ1 LYS A 40 -10.690 -4.664 -15.730 1.00 74.54 H new ATOM 0 HZ2 LYS A 40 -9.357 -4.066 -16.595 1.00 74.54 H new ATOM 0 HZ3 LYS A 40 -9.114 -4.990 -15.191 1.00 74.54 H new ATOM 678 N GLU A 41 -8.362 0.651 -10.844 1.00 21.25 N ATOM 679 CA GLU A 41 -8.558 0.458 -9.385 1.00 50.30 C ATOM 680 C GLU A 41 -8.730 1.819 -8.661 1.00 71.24 C ATOM 681 O GLU A 41 -9.464 1.915 -7.665 1.00 3.44 O ATOM 682 CB GLU A 41 -7.363 -0.364 -8.803 1.00 25.55 C ATOM 683 CG GLU A 41 -7.352 -1.838 -9.274 1.00 64.24 C ATOM 684 CD GLU A 41 -6.057 -2.615 -8.966 1.00 2.43 C ATOM 685 OE1 GLU A 41 -5.768 -2.871 -7.782 1.00 52.11 O ATOM 686 OE2 GLU A 41 -5.347 -3.026 -9.910 1.00 60.24 O ATOM 0 H GLU A 41 -7.390 0.552 -11.137 1.00 21.25 H new ATOM 0 HA GLU A 41 -9.476 -0.105 -9.217 1.00 50.30 H new ATOM 0 HB2 GLU A 41 -6.427 0.111 -9.095 1.00 25.55 H new ATOM 0 HB3 GLU A 41 -7.408 -0.337 -7.714 1.00 25.55 H new ATOM 0 HG2 GLU A 41 -8.189 -2.358 -8.808 1.00 64.24 H new ATOM 0 HG3 GLU A 41 -7.523 -1.860 -10.350 1.00 64.24 H new ATOM 693 N MET A 42 -8.053 2.868 -9.175 1.00 33.11 N ATOM 694 CA MET A 42 -8.195 4.255 -8.659 1.00 22.10 C ATOM 695 C MET A 42 -9.555 4.862 -9.051 1.00 11.24 C ATOM 696 O MET A 42 -10.088 5.718 -8.327 1.00 14.13 O ATOM 697 CB MET A 42 -7.032 5.154 -9.153 1.00 10.52 C ATOM 698 CG MET A 42 -5.634 4.774 -8.615 1.00 43.35 C ATOM 699 SD MET A 42 -5.470 4.918 -6.815 1.00 44.15 S ATOM 700 CE MET A 42 -5.853 3.260 -6.229 1.00 4.14 C ATOM 0 H MET A 42 -7.398 2.784 -9.952 1.00 33.11 H new ATOM 0 HA MET A 42 -8.151 4.207 -7.571 1.00 22.10 H new ATOM 0 HB2 MET A 42 -7.006 5.121 -10.242 1.00 10.52 H new ATOM 0 HB3 MET A 42 -7.245 6.185 -8.870 1.00 10.52 H new ATOM 0 HG2 MET A 42 -5.410 3.749 -8.909 1.00 43.35 H new ATOM 0 HG3 MET A 42 -4.888 5.412 -9.089 1.00 43.35 H new ATOM 0 HE1 MET A 42 -5.215 3.018 -5.379 1.00 4.14 H new ATOM 0 HE2 MET A 42 -6.898 3.215 -5.923 1.00 4.14 H new ATOM 0 HE3 MET A 42 -5.678 2.542 -7.030 1.00 4.14 H new ATOM 710 N LYS A 43 -10.110 4.408 -10.198 1.00 3.13 N ATOM 711 CA LYS A 43 -11.460 4.807 -10.645 1.00 61.45 C ATOM 712 C LYS A 43 -12.525 4.337 -9.638 1.00 11.53 C ATOM 713 O LYS A 43 -13.480 5.055 -9.378 1.00 12.33 O ATOM 714 CB LYS A 43 -11.782 4.237 -12.054 1.00 0.41 C ATOM 715 CG LYS A 43 -10.963 4.854 -13.210 1.00 74.24 C ATOM 716 CD LYS A 43 -11.361 4.281 -14.598 1.00 60.34 C ATOM 717 CE LYS A 43 -10.501 4.841 -15.747 1.00 43.31 C ATOM 718 NZ LYS A 43 -10.899 4.296 -17.076 1.00 24.24 N ATOM 0 H LYS A 43 -9.639 3.762 -10.832 1.00 3.13 H new ATOM 0 HA LYS A 43 -11.477 5.895 -10.703 1.00 61.45 H new ATOM 0 HB2 LYS A 43 -11.611 3.161 -12.042 1.00 0.41 H new ATOM 0 HB3 LYS A 43 -12.842 4.389 -12.258 1.00 0.41 H new ATOM 0 HG2 LYS A 43 -11.104 5.935 -13.213 1.00 74.24 H new ATOM 0 HG3 LYS A 43 -9.902 4.672 -13.036 1.00 74.24 H new ATOM 0 HD2 LYS A 43 -11.268 3.195 -14.577 1.00 60.34 H new ATOM 0 HD3 LYS A 43 -12.409 4.508 -14.792 1.00 60.34 H new ATOM 0 HE2 LYS A 43 -10.585 5.928 -15.763 1.00 43.31 H new ATOM 0 HE3 LYS A 43 -9.453 4.606 -15.560 1.00 43.31 H new ATOM 0 HZ1 LYS A 43 -10.291 4.703 -17.815 1.00 24.24 H new ATOM 0 HZ2 LYS A 43 -10.794 3.261 -17.073 1.00 24.24 H new ATOM 0 HZ3 LYS A 43 -11.891 4.542 -17.269 1.00 24.24 H new ATOM 732 N LYS A 44 -12.314 3.130 -9.065 1.00 73.12 N ATOM 733 CA LYS A 44 -13.241 2.501 -8.086 1.00 11.13 C ATOM 734 C LYS A 44 -13.411 3.327 -6.805 1.00 50.51 C ATOM 735 O LYS A 44 -14.444 3.242 -6.149 1.00 45.52 O ATOM 736 CB LYS A 44 -12.766 1.062 -7.744 1.00 54.24 C ATOM 737 CG LYS A 44 -12.914 0.081 -8.920 1.00 73.44 C ATOM 738 CD LYS A 44 -14.407 -0.120 -9.311 1.00 73.44 C ATOM 739 CE LYS A 44 -14.575 -0.849 -10.645 1.00 63.33 C ATOM 740 NZ LYS A 44 -14.026 -0.054 -11.776 1.00 22.23 N ATOM 0 H LYS A 44 -11.493 2.559 -9.267 1.00 73.12 H new ATOM 0 HA LYS A 44 -14.221 2.459 -8.562 1.00 11.13 H new ATOM 0 HB2 LYS A 44 -11.721 1.095 -7.435 1.00 54.24 H new ATOM 0 HB3 LYS A 44 -13.338 0.690 -6.894 1.00 54.24 H new ATOM 0 HG2 LYS A 44 -12.359 0.456 -9.780 1.00 73.44 H new ATOM 0 HG3 LYS A 44 -12.475 -0.880 -8.651 1.00 73.44 H new ATOM 0 HD2 LYS A 44 -14.911 -0.685 -8.527 1.00 73.44 H new ATOM 0 HD3 LYS A 44 -14.897 0.852 -9.368 1.00 73.44 H new ATOM 0 HE2 LYS A 44 -14.070 -1.814 -10.599 1.00 63.33 H new ATOM 0 HE3 LYS A 44 -15.632 -1.050 -10.820 1.00 63.33 H new ATOM 0 HZ1 LYS A 44 -14.374 -0.443 -12.675 1.00 22.23 H new ATOM 0 HZ2 LYS A 44 -14.332 0.936 -11.686 1.00 22.23 H new ATOM 0 HZ3 LYS A 44 -12.987 -0.098 -11.759 1.00 22.23 H new ATOM 754 N LEU A 45 -12.390 4.110 -6.459 1.00 11.53 N ATOM 755 CA LEU A 45 -12.441 5.024 -5.309 1.00 2.33 C ATOM 756 C LEU A 45 -13.343 6.236 -5.615 1.00 74.33 C ATOM 757 O LEU A 45 -14.036 6.750 -4.733 1.00 62.50 O ATOM 758 CB LEU A 45 -11.014 5.481 -4.957 1.00 53.04 C ATOM 759 CG LEU A 45 -9.990 4.344 -4.665 1.00 2.44 C ATOM 760 CD1 LEU A 45 -8.596 4.913 -4.364 1.00 53.42 C ATOM 761 CD2 LEU A 45 -10.484 3.422 -3.530 1.00 42.31 C ATOM 0 H LEU A 45 -11.504 4.132 -6.964 1.00 11.53 H new ATOM 0 HA LEU A 45 -12.869 4.500 -4.454 1.00 2.33 H new ATOM 0 HB2 LEU A 45 -10.633 6.085 -5.781 1.00 53.04 H new ATOM 0 HB3 LEU A 45 -11.066 6.130 -4.083 1.00 53.04 H new ATOM 0 HG LEU A 45 -9.906 3.735 -5.565 1.00 2.44 H new ATOM 0 HD11 LEU A 45 -7.904 4.095 -4.164 1.00 53.42 H new ATOM 0 HD12 LEU A 45 -8.243 5.485 -5.222 1.00 53.42 H new ATOM 0 HD13 LEU A 45 -8.649 5.564 -3.491 1.00 53.42 H new ATOM 0 HD21 LEU A 45 -9.747 2.639 -3.350 1.00 42.31 H new ATOM 0 HD22 LEU A 45 -10.621 4.006 -2.620 1.00 42.31 H new ATOM 0 HD23 LEU A 45 -11.433 2.968 -3.817 1.00 42.31 H new ATOM 773 N ALA A 46 -13.318 6.668 -6.883 1.00 14.43 N ATOM 774 CA ALA A 46 -14.123 7.798 -7.378 1.00 64.11 C ATOM 775 C ALA A 46 -15.595 7.383 -7.607 1.00 50.11 C ATOM 776 O ALA A 46 -16.513 8.197 -7.441 1.00 63.15 O ATOM 777 CB ALA A 46 -13.502 8.323 -8.676 1.00 45.20 C ATOM 0 H ALA A 46 -12.734 6.241 -7.602 1.00 14.43 H new ATOM 0 HA ALA A 46 -14.123 8.587 -6.626 1.00 64.11 H new ATOM 0 HB1 ALA A 46 -14.092 9.160 -9.049 1.00 45.20 H new ATOM 0 HB2 ALA A 46 -12.482 8.656 -8.483 1.00 45.20 H new ATOM 0 HB3 ALA A 46 -13.489 7.527 -9.421 1.00 45.20 H new ATOM 783 N GLU A 47 -15.793 6.114 -8.010 1.00 32.04 N ATOM 784 CA GLU A 47 -17.121 5.535 -8.293 1.00 21.33 C ATOM 785 C GLU A 47 -17.850 5.174 -6.989 1.00 24.04 C ATOM 786 O GLU A 47 -19.027 5.511 -6.794 1.00 71.45 O ATOM 787 CB GLU A 47 -16.959 4.269 -9.184 1.00 72.43 C ATOM 788 CG GLU A 47 -16.368 4.547 -10.578 1.00 71.31 C ATOM 789 CD GLU A 47 -16.131 3.269 -11.399 1.00 40.11 C ATOM 790 OE1 GLU A 47 -17.082 2.788 -12.051 1.00 35.05 O ATOM 791 OE2 GLU A 47 -15.001 2.737 -11.391 1.00 5.51 O ATOM 0 H GLU A 47 -15.028 5.454 -8.150 1.00 32.04 H new ATOM 0 HA GLU A 47 -17.720 6.277 -8.822 1.00 21.33 H new ATOM 0 HB2 GLU A 47 -16.319 3.554 -8.667 1.00 72.43 H new ATOM 0 HB3 GLU A 47 -17.934 3.796 -9.303 1.00 72.43 H new ATOM 0 HG2 GLU A 47 -17.042 5.205 -11.127 1.00 71.31 H new ATOM 0 HG3 GLU A 47 -15.424 5.080 -10.466 1.00 71.31 H new ATOM 798 N GLU A 48 -17.124 4.481 -6.105 1.00 23.01 N ATOM 799 CA GLU A 48 -17.643 3.984 -4.825 1.00 60.01 C ATOM 800 C GLU A 48 -17.094 4.873 -3.697 1.00 22.33 C ATOM 801 O GLU A 48 -15.876 4.914 -3.487 1.00 11.25 O ATOM 802 CB GLU A 48 -17.206 2.506 -4.624 1.00 64.12 C ATOM 803 CG GLU A 48 -17.470 1.558 -5.817 1.00 53.41 C ATOM 804 CD GLU A 48 -18.953 1.458 -6.211 1.00 34.54 C ATOM 805 OE1 GLU A 48 -19.717 0.752 -5.517 1.00 54.00 O ATOM 806 OE2 GLU A 48 -19.360 2.079 -7.215 1.00 12.14 O ATOM 0 H GLU A 48 -16.144 4.246 -6.261 1.00 23.01 H new ATOM 0 HA GLU A 48 -18.732 4.022 -4.815 1.00 60.01 H new ATOM 0 HB2 GLU A 48 -16.139 2.489 -4.400 1.00 64.12 H new ATOM 0 HB3 GLU A 48 -17.721 2.110 -3.749 1.00 64.12 H new ATOM 0 HG2 GLU A 48 -16.897 1.903 -6.678 1.00 53.41 H new ATOM 0 HG3 GLU A 48 -17.102 0.563 -5.567 1.00 53.41 H new ATOM 813 N LYS A 49 -17.985 5.582 -2.983 1.00 35.44 N ATOM 814 CA LYS A 49 -17.593 6.556 -1.941 1.00 13.53 C ATOM 815 C LYS A 49 -17.759 5.945 -0.534 1.00 60.31 C ATOM 816 O LYS A 49 -16.771 5.691 0.163 1.00 24.00 O ATOM 817 CB LYS A 49 -18.432 7.876 -2.026 1.00 21.41 C ATOM 818 CG LYS A 49 -18.370 8.658 -3.365 1.00 23.04 C ATOM 819 CD LYS A 49 -19.234 8.032 -4.492 1.00 72.20 C ATOM 820 CE LYS A 49 -19.256 8.879 -5.771 1.00 22.21 C ATOM 821 NZ LYS A 49 -20.071 8.256 -6.848 1.00 53.13 N ATOM 0 H LYS A 49 -18.994 5.499 -3.108 1.00 35.44 H new ATOM 0 HA LYS A 49 -16.546 6.800 -2.118 1.00 13.53 H new ATOM 0 HB2 LYS A 49 -19.474 7.630 -1.824 1.00 21.41 H new ATOM 0 HB3 LYS A 49 -18.101 8.541 -1.228 1.00 21.41 H new ATOM 0 HG2 LYS A 49 -18.700 9.683 -3.193 1.00 23.04 H new ATOM 0 HG3 LYS A 49 -17.334 8.708 -3.699 1.00 23.04 H new ATOM 0 HD2 LYS A 49 -18.851 7.039 -4.727 1.00 72.20 H new ATOM 0 HD3 LYS A 49 -20.254 7.903 -4.131 1.00 72.20 H new ATOM 0 HE2 LYS A 49 -19.655 9.867 -5.543 1.00 22.21 H new ATOM 0 HE3 LYS A 49 -18.236 9.022 -6.127 1.00 22.21 H new ATOM 0 HZ1 LYS A 49 -19.895 8.750 -7.746 1.00 53.13 H new ATOM 0 HZ2 LYS A 49 -19.809 7.254 -6.946 1.00 53.13 H new ATOM 0 HZ3 LYS A 49 -21.080 8.328 -6.606 1.00 53.13 H new ATOM 835 N ASN A 50 -19.024 5.669 -0.153 1.00 51.52 N ATOM 836 CA ASN A 50 -19.404 5.316 1.232 1.00 44.01 C ATOM 837 C ASN A 50 -19.372 3.791 1.443 1.00 43.33 C ATOM 838 O ASN A 50 -20.323 3.094 1.075 1.00 55.44 O ATOM 839 CB ASN A 50 -20.822 5.880 1.549 1.00 22.15 C ATOM 840 CG ASN A 50 -21.267 5.650 3.004 1.00 41.21 C ATOM 841 OD1 ASN A 50 -21.062 6.498 3.869 1.00 73.40 O ATOM 842 ND2 ASN A 50 -21.868 4.499 3.288 1.00 1.30 N ATOM 0 H ASN A 50 -19.813 5.685 -0.799 1.00 51.52 H new ATOM 0 HA ASN A 50 -18.681 5.762 1.914 1.00 44.01 H new ATOM 0 HB2 ASN A 50 -20.833 6.950 1.339 1.00 22.15 H new ATOM 0 HB3 ASN A 50 -21.546 5.416 0.879 1.00 22.15 H new ATOM 0 HD21 ASN A 50 -22.171 4.304 4.242 1.00 1.30 H new ATOM 0 HD22 ASN A 50 -22.027 3.811 2.552 1.00 1.30 H new ATOM 849 N PHE A 51 -18.261 3.295 2.019 1.00 24.33 N ATOM 850 CA PHE A 51 -18.097 1.884 2.440 1.00 53.13 C ATOM 851 C PHE A 51 -16.803 1.727 3.254 1.00 11.22 C ATOM 852 O PHE A 51 -16.089 2.721 3.485 1.00 63.21 O ATOM 853 CB PHE A 51 -18.126 0.888 1.228 1.00 53.00 C ATOM 854 CG PHE A 51 -17.002 1.009 0.192 1.00 51.35 C ATOM 855 CD1 PHE A 51 -16.774 2.203 -0.495 1.00 12.42 C ATOM 856 CD2 PHE A 51 -16.200 -0.090 -0.124 1.00 13.34 C ATOM 857 CE1 PHE A 51 -15.799 2.285 -1.457 1.00 51.22 C ATOM 858 CE2 PHE A 51 -15.222 0.001 -1.087 1.00 54.22 C ATOM 859 CZ PHE A 51 -15.021 1.192 -1.752 1.00 1.03 C ATOM 0 H PHE A 51 -17.439 3.868 2.209 1.00 24.33 H new ATOM 0 HA PHE A 51 -18.949 1.627 3.070 1.00 53.13 H new ATOM 0 HB2 PHE A 51 -18.111 -0.127 1.625 1.00 53.00 H new ATOM 0 HB3 PHE A 51 -19.077 1.014 0.710 1.00 53.00 H new ATOM 0 HD1 PHE A 51 -17.372 3.073 -0.266 1.00 12.42 H new ATOM 0 HD2 PHE A 51 -16.350 -1.025 0.395 1.00 13.34 H new ATOM 0 HE1 PHE A 51 -15.642 3.214 -1.985 1.00 51.22 H new ATOM 0 HE2 PHE A 51 -14.613 -0.859 -1.322 1.00 54.22 H new ATOM 0 HZ PHE A 51 -14.251 1.266 -2.506 1.00 1.03 H new ATOM 869 N GLU A 52 -16.511 0.487 3.706 1.00 3.20 N ATOM 870 CA GLU A 52 -15.264 0.180 4.423 1.00 54.32 C ATOM 871 C GLU A 52 -14.059 0.343 3.482 1.00 74.22 C ATOM 872 O GLU A 52 -14.142 0.061 2.278 1.00 44.32 O ATOM 873 CB GLU A 52 -15.273 -1.241 5.075 1.00 54.50 C ATOM 874 CG GLU A 52 -15.519 -2.449 4.122 1.00 63.11 C ATOM 875 CD GLU A 52 -17.008 -2.719 3.829 1.00 13.25 C ATOM 876 OE1 GLU A 52 -17.662 -3.421 4.630 1.00 71.10 O ATOM 877 OE2 GLU A 52 -17.541 -2.211 2.818 1.00 34.31 O ATOM 0 H GLU A 52 -17.128 -0.316 3.584 1.00 3.20 H new ATOM 0 HA GLU A 52 -15.180 0.894 5.243 1.00 54.32 H new ATOM 0 HB2 GLU A 52 -14.316 -1.392 5.575 1.00 54.50 H new ATOM 0 HB3 GLU A 52 -16.042 -1.256 5.848 1.00 54.50 H new ATOM 0 HG2 GLU A 52 -15.000 -2.268 3.181 1.00 63.11 H new ATOM 0 HG3 GLU A 52 -15.077 -3.343 4.563 1.00 63.11 H new ATOM 884 N LYS A 53 -12.960 0.826 4.057 1.00 61.21 N ATOM 885 CA LYS A 53 -11.733 1.177 3.326 1.00 10.35 C ATOM 886 C LYS A 53 -11.028 -0.056 2.720 1.00 11.32 C ATOM 887 O LYS A 53 -11.201 -1.193 3.174 1.00 54.41 O ATOM 888 CB LYS A 53 -10.799 1.977 4.259 1.00 75.33 C ATOM 889 CG LYS A 53 -10.519 1.313 5.623 1.00 23.32 C ATOM 890 CD LYS A 53 -9.852 2.283 6.617 1.00 14.50 C ATOM 891 CE LYS A 53 -9.754 1.713 8.042 1.00 24.22 C ATOM 892 NZ LYS A 53 -9.326 2.736 9.024 1.00 75.41 N ATOM 0 H LYS A 53 -12.890 0.989 5.061 1.00 61.21 H new ATOM 0 HA LYS A 53 -12.006 1.800 2.474 1.00 10.35 H new ATOM 0 HB2 LYS A 53 -9.850 2.138 3.748 1.00 75.33 H new ATOM 0 HB3 LYS A 53 -11.238 2.960 4.433 1.00 75.33 H new ATOM 0 HG2 LYS A 53 -11.455 0.948 6.046 1.00 23.32 H new ATOM 0 HG3 LYS A 53 -9.875 0.445 5.477 1.00 23.32 H new ATOM 0 HD2 LYS A 53 -8.852 2.528 6.260 1.00 14.50 H new ATOM 0 HD3 LYS A 53 -10.418 3.214 6.643 1.00 14.50 H new ATOM 0 HE2 LYS A 53 -10.723 1.310 8.338 1.00 24.22 H new ATOM 0 HE3 LYS A 53 -9.047 0.883 8.052 1.00 24.22 H new ATOM 0 HZ1 LYS A 53 -9.208 2.293 9.958 1.00 75.41 H new ATOM 0 HZ2 LYS A 53 -8.422 3.151 8.721 1.00 75.41 H new ATOM 0 HZ3 LYS A 53 -10.047 3.483 9.084 1.00 75.41 H new ATOM 906 N ILE A 54 -10.222 0.213 1.684 1.00 42.22 N ATOM 907 CA ILE A 54 -9.650 -0.804 0.797 1.00 33.41 C ATOM 908 C ILE A 54 -8.150 -0.905 1.070 1.00 2.32 C ATOM 909 O ILE A 54 -7.489 0.117 1.330 1.00 11.41 O ATOM 910 CB ILE A 54 -9.869 -0.457 -0.743 1.00 34.01 C ATOM 911 CG1 ILE A 54 -11.357 -0.076 -1.060 1.00 33.13 C ATOM 912 CG2 ILE A 54 -9.408 -1.622 -1.654 1.00 2.04 C ATOM 913 CD1 ILE A 54 -11.764 1.331 -0.642 1.00 13.42 C ATOM 0 H ILE A 54 -9.945 1.163 1.436 1.00 42.22 H new ATOM 0 HA ILE A 54 -10.157 -1.747 1.001 1.00 33.41 H new ATOM 0 HB ILE A 54 -9.252 0.416 -0.955 1.00 34.01 H new ATOM 0 HG12 ILE A 54 -11.523 -0.183 -2.132 1.00 33.13 H new ATOM 0 HG13 ILE A 54 -12.013 -0.791 -0.563 1.00 33.13 H new ATOM 0 HG21 ILE A 54 -9.571 -1.354 -2.698 1.00 2.04 H new ATOM 0 HG22 ILE A 54 -8.348 -1.815 -1.490 1.00 2.04 H new ATOM 0 HG23 ILE A 54 -9.981 -2.518 -1.416 1.00 2.04 H new ATOM 0 HD11 ILE A 54 -12.809 1.500 -0.903 1.00 13.42 H new ATOM 0 HD12 ILE A 54 -11.636 1.442 0.435 1.00 13.42 H new ATOM 0 HD13 ILE A 54 -11.139 2.059 -1.159 1.00 13.42 H new ATOM 925 N LEU A 55 -7.623 -2.126 1.004 1.00 31.53 N ATOM 926 CA LEU A 55 -6.197 -2.381 1.117 1.00 50.00 C ATOM 927 C LEU A 55 -5.647 -2.697 -0.282 1.00 62.00 C ATOM 928 O LEU A 55 -6.052 -3.683 -0.912 1.00 41.32 O ATOM 929 CB LEU A 55 -5.943 -3.524 2.134 1.00 74.21 C ATOM 930 CG LEU A 55 -4.440 -3.814 2.489 1.00 3.43 C ATOM 931 CD1 LEU A 55 -4.281 -4.248 3.959 1.00 21.42 C ATOM 932 CD2 LEU A 55 -3.814 -4.859 1.528 1.00 4.12 C ATOM 0 H LEU A 55 -8.181 -2.969 0.870 1.00 31.53 H new ATOM 0 HA LEU A 55 -5.672 -1.505 1.497 1.00 50.00 H new ATOM 0 HB2 LEU A 55 -6.473 -3.286 3.056 1.00 74.21 H new ATOM 0 HB3 LEU A 55 -6.385 -4.439 1.739 1.00 74.21 H new ATOM 0 HG LEU A 55 -3.894 -2.880 2.357 1.00 3.43 H new ATOM 0 HD11 LEU A 55 -3.229 -4.440 4.170 1.00 21.42 H new ATOM 0 HD12 LEU A 55 -4.643 -3.455 4.614 1.00 21.42 H new ATOM 0 HD13 LEU A 55 -4.858 -5.156 4.135 1.00 21.42 H new ATOM 0 HD21 LEU A 55 -2.774 -5.032 1.806 1.00 4.12 H new ATOM 0 HD22 LEU A 55 -4.369 -5.795 1.597 1.00 4.12 H new ATOM 0 HD23 LEU A 55 -3.858 -4.485 0.505 1.00 4.12 H new ATOM 944 N ILE A 56 -4.741 -1.840 -0.757 1.00 1.44 N ATOM 945 CA ILE A 56 -4.072 -2.000 -2.048 1.00 51.31 C ATOM 946 C ILE A 56 -2.694 -2.659 -1.824 1.00 33.41 C ATOM 947 O ILE A 56 -2.003 -2.333 -0.863 1.00 20.34 O ATOM 948 CB ILE A 56 -3.878 -0.614 -2.789 1.00 13.32 C ATOM 949 CG1 ILE A 56 -5.186 0.254 -2.764 1.00 41.33 C ATOM 950 CG2 ILE A 56 -3.399 -0.822 -4.255 1.00 70.14 C ATOM 951 CD1 ILE A 56 -6.371 -0.323 -3.517 1.00 25.13 C ATOM 0 H ILE A 56 -4.448 -1.005 -0.249 1.00 1.44 H new ATOM 0 HA ILE A 56 -4.701 -2.629 -2.679 1.00 51.31 H new ATOM 0 HB ILE A 56 -3.106 -0.071 -2.243 1.00 13.32 H new ATOM 0 HG12 ILE A 56 -5.479 0.408 -1.725 1.00 41.33 H new ATOM 0 HG13 ILE A 56 -4.957 1.235 -3.180 1.00 41.33 H new ATOM 0 HG21 ILE A 56 -3.275 0.147 -4.738 1.00 70.14 H new ATOM 0 HG22 ILE A 56 -2.447 -1.352 -4.255 1.00 70.14 H new ATOM 0 HG23 ILE A 56 -4.140 -1.407 -4.800 1.00 70.14 H new ATOM 0 HD11 ILE A 56 -7.220 0.356 -3.435 1.00 25.13 H new ATOM 0 HD12 ILE A 56 -6.108 -0.450 -4.567 1.00 25.13 H new ATOM 0 HD13 ILE A 56 -6.637 -1.290 -3.090 1.00 25.13 H new ATOM 963 N ILE A 57 -2.335 -3.624 -2.677 1.00 53.55 N ATOM 964 CA ILE A 57 -0.965 -4.169 -2.763 1.00 71.13 C ATOM 965 C ILE A 57 -0.419 -3.840 -4.165 1.00 43.44 C ATOM 966 O ILE A 57 -1.186 -3.733 -5.114 1.00 40.15 O ATOM 967 CB ILE A 57 -0.921 -5.730 -2.501 1.00 11.41 C ATOM 968 CG1 ILE A 57 -1.544 -6.075 -1.111 1.00 44.33 C ATOM 969 CG2 ILE A 57 0.525 -6.292 -2.608 1.00 10.01 C ATOM 970 CD1 ILE A 57 -1.554 -7.558 -0.752 1.00 11.21 C ATOM 0 H ILE A 57 -2.986 -4.055 -3.333 1.00 53.55 H new ATOM 0 HA ILE A 57 -0.349 -3.714 -1.987 1.00 71.13 H new ATOM 0 HB ILE A 57 -1.517 -6.208 -3.278 1.00 11.41 H new ATOM 0 HG12 ILE A 57 -0.994 -5.535 -0.340 1.00 44.33 H new ATOM 0 HG13 ILE A 57 -2.569 -5.706 -1.089 1.00 44.33 H new ATOM 0 HG21 ILE A 57 0.513 -7.366 -2.422 1.00 10.01 H new ATOM 0 HG22 ILE A 57 0.916 -6.101 -3.607 1.00 10.01 H new ATOM 0 HG23 ILE A 57 1.161 -5.803 -1.870 1.00 10.01 H new ATOM 0 HD11 ILE A 57 -2.006 -7.691 0.231 1.00 11.21 H new ATOM 0 HD12 ILE A 57 -2.131 -8.108 -1.495 1.00 11.21 H new ATOM 0 HD13 ILE A 57 -0.531 -7.935 -0.735 1.00 11.21 H new ATOM 982 N SER A 58 0.888 -3.625 -4.271 1.00 62.42 N ATOM 983 CA SER A 58 1.574 -3.412 -5.540 1.00 40.14 C ATOM 984 C SER A 58 2.974 -4.018 -5.457 1.00 3.11 C ATOM 985 O SER A 58 3.611 -4.004 -4.394 1.00 32.41 O ATOM 986 CB SER A 58 1.645 -1.910 -5.870 1.00 15.12 C ATOM 987 OG SER A 58 2.316 -1.680 -7.090 1.00 23.23 O ATOM 0 H SER A 58 1.511 -3.593 -3.464 1.00 62.42 H new ATOM 0 HA SER A 58 1.019 -3.900 -6.341 1.00 40.14 H new ATOM 0 HB2 SER A 58 0.636 -1.500 -5.925 1.00 15.12 H new ATOM 0 HB3 SER A 58 2.159 -1.384 -5.066 1.00 15.12 H new ATOM 0 HG SER A 58 3.207 -1.315 -6.909 1.00 23.23 H new ATOM 993 N ASN A 59 3.445 -4.538 -6.586 1.00 54.35 N ATOM 994 CA ASN A 59 4.731 -5.245 -6.670 1.00 33.34 C ATOM 995 C ASN A 59 5.876 -4.319 -7.105 1.00 32.13 C ATOM 996 O ASN A 59 7.034 -4.745 -7.107 1.00 63.05 O ATOM 997 CB ASN A 59 4.596 -6.464 -7.625 1.00 1.22 C ATOM 998 CG ASN A 59 4.216 -6.112 -9.074 1.00 71.24 C ATOM 999 OD1 ASN A 59 3.564 -5.102 -9.343 1.00 31.13 O ATOM 1000 ND2 ASN A 59 4.610 -6.956 -10.018 1.00 61.31 N ATOM 0 H ASN A 59 2.948 -4.484 -7.475 1.00 54.35 H new ATOM 0 HA ASN A 59 4.987 -5.601 -5.672 1.00 33.34 H new ATOM 0 HB2 ASN A 59 5.541 -7.006 -7.634 1.00 1.22 H new ATOM 0 HB3 ASN A 59 3.844 -7.142 -7.222 1.00 1.22 H new ATOM 0 HD21 ASN A 59 4.374 -6.776 -10.994 1.00 61.31 H new ATOM 0 HD22 ASN A 59 5.149 -7.785 -9.768 1.00 61.31 H new ATOM 1007 N ASP A 60 5.571 -3.047 -7.451 1.00 31.21 N ATOM 1008 CA ASP A 60 6.600 -2.114 -7.964 1.00 41.01 C ATOM 1009 C ASP A 60 6.356 -0.668 -7.486 1.00 2.25 C ATOM 1010 O ASP A 60 5.218 -0.264 -7.227 1.00 54.03 O ATOM 1011 CB ASP A 60 6.671 -2.181 -9.521 1.00 73.20 C ATOM 1012 CG ASP A 60 8.045 -1.746 -10.074 1.00 33.00 C ATOM 1013 OD1 ASP A 60 8.310 -0.527 -10.190 1.00 62.25 O ATOM 1014 OD2 ASP A 60 8.883 -2.625 -10.360 1.00 23.50 O ATOM 0 H ASP A 60 4.635 -2.648 -7.386 1.00 31.21 H new ATOM 0 HA ASP A 60 7.561 -2.429 -7.557 1.00 41.01 H new ATOM 0 HB2 ASP A 60 6.459 -3.199 -9.847 1.00 73.20 H new ATOM 0 HB3 ASP A 60 5.895 -1.543 -9.944 1.00 73.20 H new ATOM 1019 N LYS A 61 7.463 0.106 -7.409 1.00 4.24 N ATOM 1020 CA LYS A 61 7.478 1.507 -6.932 1.00 74.11 C ATOM 1021 C LYS A 61 6.764 2.468 -7.900 1.00 32.03 C ATOM 1022 O LYS A 61 6.186 3.465 -7.459 1.00 72.43 O ATOM 1023 CB LYS A 61 8.940 1.995 -6.732 1.00 43.42 C ATOM 1024 CG LYS A 61 9.777 1.188 -5.715 1.00 43.24 C ATOM 1025 CD LYS A 61 9.223 1.266 -4.271 1.00 21.22 C ATOM 1026 CE LYS A 61 10.173 0.626 -3.244 1.00 65.23 C ATOM 1027 NZ LYS A 61 10.486 -0.787 -3.583 1.00 44.05 N ATOM 0 H LYS A 61 8.386 -0.232 -7.681 1.00 4.24 H new ATOM 0 HA LYS A 61 6.940 1.517 -5.984 1.00 74.11 H new ATOM 0 HB2 LYS A 61 9.448 1.970 -7.696 1.00 43.42 H new ATOM 0 HB3 LYS A 61 8.916 3.037 -6.412 1.00 43.42 H new ATOM 0 HG2 LYS A 61 9.811 0.145 -6.029 1.00 43.24 H new ATOM 0 HG3 LYS A 61 10.803 1.557 -5.724 1.00 43.24 H new ATOM 0 HD2 LYS A 61 9.054 2.310 -4.005 1.00 21.22 H new ATOM 0 HD3 LYS A 61 8.255 0.766 -4.228 1.00 21.22 H new ATOM 0 HE2 LYS A 61 11.098 1.201 -3.197 1.00 65.23 H new ATOM 0 HE3 LYS A 61 9.720 0.670 -2.254 1.00 65.23 H new ATOM 0 HZ1 LYS A 61 11.101 -1.192 -2.849 1.00 44.05 H new ATOM 0 HZ2 LYS A 61 9.604 -1.335 -3.636 1.00 44.05 H new ATOM 0 HZ3 LYS A 61 10.972 -0.824 -4.501 1.00 44.05 H new ATOM 1041 N GLN A 62 6.835 2.169 -9.217 1.00 2.42 N ATOM 1042 CA GLN A 62 6.254 3.031 -10.271 1.00 31.23 C ATOM 1043 C GLN A 62 4.713 3.045 -10.176 1.00 43.05 C ATOM 1044 O GLN A 62 4.072 4.078 -10.412 1.00 13.24 O ATOM 1045 CB GLN A 62 6.719 2.566 -11.688 1.00 22.12 C ATOM 1046 CG GLN A 62 6.218 1.160 -12.116 1.00 22.23 C ATOM 1047 CD GLN A 62 6.687 0.689 -13.497 1.00 64.52 C ATOM 1048 OE1 GLN A 62 5.966 -0.026 -14.189 1.00 44.51 O ATOM 1049 NE2 GLN A 62 7.898 1.048 -13.898 1.00 51.21 N ATOM 0 H GLN A 62 7.292 1.331 -9.577 1.00 2.42 H new ATOM 0 HA GLN A 62 6.614 4.048 -10.115 1.00 31.23 H new ATOM 0 HB2 GLN A 62 6.378 3.295 -12.423 1.00 22.12 H new ATOM 0 HB3 GLN A 62 7.809 2.571 -11.716 1.00 22.12 H new ATOM 0 HG2 GLN A 62 6.546 0.434 -11.372 1.00 22.23 H new ATOM 0 HG3 GLN A 62 5.128 1.161 -12.102 1.00 22.23 H new ATOM 0 HE21 GLN A 62 8.476 1.642 -13.304 1.00 51.21 H new ATOM 0 HE22 GLN A 62 8.252 0.730 -14.800 1.00 51.21 H new ATOM 1058 N LEU A 63 4.146 1.882 -9.800 1.00 74.51 N ATOM 1059 CA LEU A 63 2.696 1.692 -9.665 1.00 72.41 C ATOM 1060 C LEU A 63 2.205 2.411 -8.400 1.00 51.12 C ATOM 1061 O LEU A 63 1.154 3.081 -8.420 1.00 14.14 O ATOM 1062 CB LEU A 63 2.370 0.176 -9.613 1.00 30.45 C ATOM 1063 CG LEU A 63 2.980 -0.695 -10.763 1.00 52.11 C ATOM 1064 CD1 LEU A 63 2.679 -2.193 -10.575 1.00 33.01 C ATOM 1065 CD2 LEU A 63 2.510 -0.203 -12.146 1.00 45.51 C ATOM 0 H LEU A 63 4.688 1.046 -9.581 1.00 74.51 H new ATOM 0 HA LEU A 63 2.181 2.119 -10.526 1.00 72.41 H new ATOM 0 HB2 LEU A 63 2.721 -0.219 -8.659 1.00 30.45 H new ATOM 0 HB3 LEU A 63 1.287 0.056 -9.628 1.00 30.45 H new ATOM 0 HG LEU A 63 4.062 -0.576 -10.713 1.00 52.11 H new ATOM 0 HD11 LEU A 63 3.121 -2.759 -11.395 1.00 33.01 H new ATOM 0 HD12 LEU A 63 3.102 -2.533 -9.630 1.00 33.01 H new ATOM 0 HD13 LEU A 63 1.600 -2.349 -10.566 1.00 33.01 H new ATOM 0 HD21 LEU A 63 2.950 -0.828 -12.923 1.00 45.51 H new ATOM 0 HD22 LEU A 63 1.423 -0.264 -12.204 1.00 45.51 H new ATOM 0 HD23 LEU A 63 2.824 0.831 -12.290 1.00 45.51 H new ATOM 1077 N LEU A 64 2.998 2.265 -7.304 1.00 60.32 N ATOM 1078 CA LEU A 64 2.781 2.990 -6.035 1.00 1.54 C ATOM 1079 C LEU A 64 2.681 4.490 -6.300 1.00 74.44 C ATOM 1080 O LEU A 64 1.663 5.081 -6.006 1.00 73.23 O ATOM 1081 CB LEU A 64 3.939 2.764 -5.032 1.00 25.32 C ATOM 1082 CG LEU A 64 4.165 1.322 -4.519 1.00 50.33 C ATOM 1083 CD1 LEU A 64 5.442 1.265 -3.668 1.00 5.23 C ATOM 1084 CD2 LEU A 64 2.940 0.798 -3.733 1.00 1.52 C ATOM 0 H LEU A 64 3.804 1.640 -7.282 1.00 60.32 H new ATOM 0 HA LEU A 64 1.856 2.604 -5.606 1.00 1.54 H new ATOM 0 HB2 LEU A 64 4.862 3.103 -5.502 1.00 25.32 H new ATOM 0 HB3 LEU A 64 3.766 3.406 -4.168 1.00 25.32 H new ATOM 0 HG LEU A 64 4.290 0.666 -5.381 1.00 50.33 H new ATOM 0 HD11 LEU A 64 5.595 0.247 -3.310 1.00 5.23 H new ATOM 0 HD12 LEU A 64 6.296 1.569 -4.273 1.00 5.23 H new ATOM 0 HD13 LEU A 64 5.342 1.938 -2.816 1.00 5.23 H new ATOM 0 HD21 LEU A 64 3.136 -0.217 -3.389 1.00 1.52 H new ATOM 0 HD22 LEU A 64 2.756 1.443 -2.874 1.00 1.52 H new ATOM 0 HD23 LEU A 64 2.064 0.798 -4.382 1.00 1.52 H new ATOM 1096 N LYS A 65 3.742 5.047 -6.921 1.00 24.54 N ATOM 1097 CA LYS A 65 3.945 6.500 -7.119 1.00 51.33 C ATOM 1098 C LYS A 65 2.694 7.167 -7.716 1.00 61.42 C ATOM 1099 O LYS A 65 2.209 8.180 -7.197 1.00 53.44 O ATOM 1100 CB LYS A 65 5.174 6.706 -8.050 1.00 51.40 C ATOM 1101 CG LYS A 65 5.559 8.178 -8.353 1.00 55.12 C ATOM 1102 CD LYS A 65 6.100 8.943 -7.115 1.00 23.14 C ATOM 1103 CE LYS A 65 7.397 8.332 -6.562 1.00 31.14 C ATOM 1104 NZ LYS A 65 7.990 9.148 -5.480 1.00 24.24 N ATOM 0 H LYS A 65 4.501 4.486 -7.309 1.00 24.54 H new ATOM 0 HA LYS A 65 4.127 6.971 -6.153 1.00 51.33 H new ATOM 0 HB2 LYS A 65 6.034 6.212 -7.598 1.00 51.40 H new ATOM 0 HB3 LYS A 65 4.977 6.201 -8.996 1.00 51.40 H new ATOM 0 HG2 LYS A 65 6.314 8.193 -9.139 1.00 55.12 H new ATOM 0 HG3 LYS A 65 4.685 8.702 -8.741 1.00 55.12 H new ATOM 0 HD2 LYS A 65 6.280 9.983 -7.386 1.00 23.14 H new ATOM 0 HD3 LYS A 65 5.341 8.944 -6.333 1.00 23.14 H new ATOM 0 HE2 LYS A 65 7.191 7.330 -6.186 1.00 31.14 H new ATOM 0 HE3 LYS A 65 8.119 8.227 -7.371 1.00 31.14 H new ATOM 0 HZ1 LYS A 65 8.862 8.694 -5.141 1.00 24.24 H new ATOM 0 HZ2 LYS A 65 8.212 10.097 -5.843 1.00 24.24 H new ATOM 0 HZ3 LYS A 65 7.313 9.228 -4.694 1.00 24.24 H new ATOM 1118 N GLU A 66 2.176 6.548 -8.788 1.00 14.13 N ATOM 1119 CA GLU A 66 0.948 6.982 -9.466 1.00 3.04 C ATOM 1120 C GLU A 66 -0.267 6.965 -8.526 1.00 0.51 C ATOM 1121 O GLU A 66 -0.939 7.990 -8.380 1.00 14.50 O ATOM 1122 CB GLU A 66 0.686 6.084 -10.702 1.00 20.04 C ATOM 1123 CG GLU A 66 1.742 6.202 -11.820 1.00 34.34 C ATOM 1124 CD GLU A 66 1.777 7.601 -12.463 1.00 51.42 C ATOM 1125 OE1 GLU A 66 0.891 7.899 -13.289 1.00 44.40 O ATOM 1126 OE2 GLU A 66 2.671 8.413 -12.133 1.00 41.11 O ATOM 0 H GLU A 66 2.603 5.724 -9.211 1.00 14.13 H new ATOM 0 HA GLU A 66 1.092 8.013 -9.788 1.00 3.04 H new ATOM 0 HB2 GLU A 66 0.637 5.045 -10.375 1.00 20.04 H new ATOM 0 HB3 GLU A 66 -0.291 6.335 -11.116 1.00 20.04 H new ATOM 0 HG2 GLU A 66 2.725 5.971 -11.411 1.00 34.34 H new ATOM 0 HG3 GLU A 66 1.534 5.459 -12.590 1.00 34.34 H new ATOM 1133 N MET A 67 -0.531 5.803 -7.889 1.00 2.21 N ATOM 1134 CA MET A 67 -1.712 5.627 -7.011 1.00 60.54 C ATOM 1135 C MET A 67 -1.679 6.586 -5.802 1.00 42.41 C ATOM 1136 O MET A 67 -2.675 7.234 -5.517 1.00 51.43 O ATOM 1137 CB MET A 67 -1.827 4.161 -6.535 1.00 52.32 C ATOM 1138 CG MET A 67 -2.194 3.161 -7.634 1.00 64.24 C ATOM 1139 SD MET A 67 -2.388 1.481 -7.012 1.00 5.54 S ATOM 1140 CE MET A 67 -0.704 1.041 -6.599 1.00 65.54 C ATOM 0 H MET A 67 0.057 4.973 -7.966 1.00 2.21 H new ATOM 0 HA MET A 67 -2.594 5.874 -7.602 1.00 60.54 H new ATOM 0 HB2 MET A 67 -0.877 3.861 -6.092 1.00 52.32 H new ATOM 0 HB3 MET A 67 -2.578 4.107 -5.747 1.00 52.32 H new ATOM 0 HG2 MET A 67 -3.122 3.476 -8.111 1.00 64.24 H new ATOM 0 HG3 MET A 67 -1.421 3.172 -8.402 1.00 64.24 H new ATOM 0 HE1 MET A 67 -0.681 0.573 -5.615 1.00 65.54 H new ATOM 0 HE2 MET A 67 -0.318 0.343 -7.342 1.00 65.54 H new ATOM 0 HE3 MET A 67 -0.086 1.939 -6.588 1.00 65.54 H new ATOM 1150 N LEU A 68 -0.516 6.676 -5.125 1.00 31.31 N ATOM 1151 CA LEU A 68 -0.278 7.572 -3.962 1.00 74.01 C ATOM 1152 C LEU A 68 -0.715 9.019 -4.265 1.00 62.22 C ATOM 1153 O LEU A 68 -1.344 9.682 -3.430 1.00 12.35 O ATOM 1154 CB LEU A 68 1.236 7.550 -3.589 1.00 71.32 C ATOM 1155 CG LEU A 68 1.808 6.190 -3.074 1.00 63.25 C ATOM 1156 CD1 LEU A 68 3.344 6.212 -2.991 1.00 61.42 C ATOM 1157 CD2 LEU A 68 1.194 5.800 -1.720 1.00 52.55 C ATOM 0 H LEU A 68 0.303 6.120 -5.372 1.00 31.31 H new ATOM 0 HA LEU A 68 -0.875 7.208 -3.126 1.00 74.01 H new ATOM 0 HB2 LEU A 68 1.808 7.850 -4.467 1.00 71.32 H new ATOM 0 HB3 LEU A 68 1.409 8.305 -2.822 1.00 71.32 H new ATOM 0 HG LEU A 68 1.527 5.430 -3.803 1.00 63.25 H new ATOM 0 HD11 LEU A 68 3.703 5.248 -2.629 1.00 61.42 H new ATOM 0 HD12 LEU A 68 3.759 6.405 -3.980 1.00 61.42 H new ATOM 0 HD13 LEU A 68 3.660 6.998 -2.305 1.00 61.42 H new ATOM 0 HD21 LEU A 68 1.613 4.849 -1.391 1.00 52.55 H new ATOM 0 HD22 LEU A 68 1.419 6.571 -0.983 1.00 52.55 H new ATOM 0 HD23 LEU A 68 0.113 5.703 -1.825 1.00 52.55 H new ATOM 1169 N GLU A 69 -0.376 9.480 -5.481 1.00 74.33 N ATOM 1170 CA GLU A 69 -0.728 10.818 -5.969 1.00 23.42 C ATOM 1171 C GLU A 69 -2.228 10.920 -6.295 1.00 41.45 C ATOM 1172 O GLU A 69 -2.867 11.900 -5.915 1.00 12.42 O ATOM 1173 CB GLU A 69 0.134 11.170 -7.206 1.00 22.00 C ATOM 1174 CG GLU A 69 1.623 11.405 -6.877 1.00 31.33 C ATOM 1175 CD GLU A 69 2.503 11.656 -8.114 1.00 64.42 C ATOM 1176 OE1 GLU A 69 2.188 12.573 -8.902 1.00 72.33 O ATOM 1177 OE2 GLU A 69 3.535 10.977 -8.281 1.00 42.13 O ATOM 0 H GLU A 69 0.154 8.928 -6.155 1.00 74.33 H new ATOM 0 HA GLU A 69 -0.520 11.539 -5.178 1.00 23.42 H new ATOM 0 HB2 GLU A 69 0.055 10.363 -7.935 1.00 22.00 H new ATOM 0 HB3 GLU A 69 -0.271 12.066 -7.677 1.00 22.00 H new ATOM 0 HG2 GLU A 69 1.706 12.259 -6.205 1.00 31.33 H new ATOM 0 HG3 GLU A 69 2.007 10.538 -6.340 1.00 31.33 H new ATOM 1184 N LEU A 70 -2.785 9.899 -6.980 1.00 55.55 N ATOM 1185 CA LEU A 70 -4.204 9.896 -7.413 1.00 44.43 C ATOM 1186 C LEU A 70 -5.163 9.952 -6.202 1.00 65.45 C ATOM 1187 O LEU A 70 -6.050 10.807 -6.150 1.00 54.42 O ATOM 1188 CB LEU A 70 -4.491 8.676 -8.334 1.00 73.34 C ATOM 1189 CG LEU A 70 -3.793 8.722 -9.737 1.00 4.12 C ATOM 1190 CD1 LEU A 70 -4.054 7.445 -10.554 1.00 35.35 C ATOM 1191 CD2 LEU A 70 -4.214 9.980 -10.530 1.00 14.13 C ATOM 0 H LEU A 70 -2.272 9.059 -7.248 1.00 55.55 H new ATOM 0 HA LEU A 70 -4.387 10.798 -7.997 1.00 44.43 H new ATOM 0 HB2 LEU A 70 -4.175 7.769 -7.818 1.00 73.34 H new ATOM 0 HB3 LEU A 70 -5.568 8.599 -8.484 1.00 73.34 H new ATOM 0 HG LEU A 70 -2.719 8.777 -9.556 1.00 4.12 H new ATOM 0 HD11 LEU A 70 -3.552 7.521 -11.518 1.00 35.35 H new ATOM 0 HD12 LEU A 70 -3.670 6.581 -10.012 1.00 35.35 H new ATOM 0 HD13 LEU A 70 -5.126 7.327 -10.712 1.00 35.35 H new ATOM 0 HD21 LEU A 70 -3.714 9.984 -11.498 1.00 14.13 H new ATOM 0 HD22 LEU A 70 -5.294 9.972 -10.679 1.00 14.13 H new ATOM 0 HD23 LEU A 70 -3.932 10.873 -9.972 1.00 14.13 H new ATOM 1203 N ILE A 71 -4.910 9.080 -5.217 1.00 42.25 N ATOM 1204 CA ILE A 71 -5.655 9.004 -3.933 1.00 73.14 C ATOM 1205 C ILE A 71 -5.601 10.345 -3.157 1.00 13.31 C ATOM 1206 O ILE A 71 -6.573 10.725 -2.475 1.00 61.30 O ATOM 1207 CB ILE A 71 -5.059 7.834 -3.055 1.00 14.23 C ATOM 1208 CG1 ILE A 71 -5.188 6.474 -3.811 1.00 2.32 C ATOM 1209 CG2 ILE A 71 -5.719 7.748 -1.659 1.00 43.15 C ATOM 1210 CD1 ILE A 71 -4.388 5.323 -3.220 1.00 50.42 C ATOM 0 H ILE A 71 -4.165 8.387 -5.283 1.00 42.25 H new ATOM 0 HA ILE A 71 -6.703 8.803 -4.154 1.00 73.14 H new ATOM 0 HB ILE A 71 -4.004 8.055 -2.892 1.00 14.23 H new ATOM 0 HG12 ILE A 71 -6.240 6.189 -3.835 1.00 2.32 H new ATOM 0 HG13 ILE A 71 -4.874 6.620 -4.844 1.00 2.32 H new ATOM 0 HG21 ILE A 71 -5.274 6.928 -1.096 1.00 43.15 H new ATOM 0 HG22 ILE A 71 -5.561 8.684 -1.123 1.00 43.15 H new ATOM 0 HG23 ILE A 71 -6.789 7.571 -1.772 1.00 43.15 H new ATOM 0 HD11 ILE A 71 -4.546 4.425 -3.818 1.00 50.42 H new ATOM 0 HD12 ILE A 71 -3.328 5.578 -3.221 1.00 50.42 H new ATOM 0 HD13 ILE A 71 -4.716 5.140 -2.197 1.00 50.42 H new ATOM 1222 N SER A 72 -4.464 11.057 -3.301 1.00 20.51 N ATOM 1223 CA SER A 72 -4.225 12.352 -2.643 1.00 51.32 C ATOM 1224 C SER A 72 -5.271 13.401 -3.085 1.00 73.01 C ATOM 1225 O SER A 72 -5.902 14.036 -2.234 1.00 41.53 O ATOM 1226 CB SER A 72 -2.786 12.834 -2.942 1.00 10.21 C ATOM 1227 OG SER A 72 -2.439 14.000 -2.219 1.00 44.15 O ATOM 0 H SER A 72 -3.684 10.746 -3.880 1.00 20.51 H new ATOM 0 HA SER A 72 -4.331 12.224 -1.566 1.00 51.32 H new ATOM 0 HB2 SER A 72 -2.083 12.038 -2.698 1.00 10.21 H new ATOM 0 HB3 SER A 72 -2.688 13.031 -4.010 1.00 10.21 H new ATOM 0 HG SER A 72 -1.521 14.262 -2.442 1.00 44.15 H new ATOM 1233 N LYS A 73 -5.484 13.565 -4.418 1.00 63.34 N ATOM 1234 CA LYS A 73 -6.499 14.529 -4.942 1.00 14.21 C ATOM 1235 C LYS A 73 -7.906 13.898 -5.042 1.00 63.10 C ATOM 1236 O LYS A 73 -8.872 14.601 -5.354 1.00 34.23 O ATOM 1237 CB LYS A 73 -6.088 15.216 -6.284 1.00 33.25 C ATOM 1238 CG LYS A 73 -6.118 14.350 -7.570 1.00 63.31 C ATOM 1239 CD LYS A 73 -4.872 13.472 -7.775 1.00 4.11 C ATOM 1240 CE LYS A 73 -3.559 14.281 -7.851 1.00 11.04 C ATOM 1241 NZ LYS A 73 -3.566 15.271 -8.960 1.00 42.34 N ATOM 0 H LYS A 73 -4.978 13.054 -5.141 1.00 63.34 H new ATOM 0 HA LYS A 73 -6.540 15.325 -4.199 1.00 14.21 H new ATOM 0 HB2 LYS A 73 -6.745 16.071 -6.439 1.00 33.25 H new ATOM 0 HB3 LYS A 73 -5.078 15.608 -6.166 1.00 33.25 H new ATOM 0 HG2 LYS A 73 -6.999 13.708 -7.541 1.00 63.31 H new ATOM 0 HG3 LYS A 73 -6.231 15.007 -8.433 1.00 63.31 H new ATOM 0 HD2 LYS A 73 -4.802 12.756 -6.956 1.00 4.11 H new ATOM 0 HD3 LYS A 73 -4.989 12.896 -8.693 1.00 4.11 H new ATOM 0 HE2 LYS A 73 -3.400 14.800 -6.906 1.00 11.04 H new ATOM 0 HE3 LYS A 73 -2.721 13.597 -7.984 1.00 11.04 H new ATOM 0 HZ1 LYS A 73 -2.651 15.765 -8.991 1.00 42.34 H new ATOM 0 HZ2 LYS A 73 -3.725 14.780 -9.863 1.00 42.34 H new ATOM 0 HZ3 LYS A 73 -4.327 15.962 -8.804 1.00 42.34 H new ATOM 1255 N LEU A 74 -8.020 12.569 -4.795 1.00 74.11 N ATOM 1256 CA LEU A 74 -9.337 11.922 -4.559 1.00 63.31 C ATOM 1257 C LEU A 74 -9.852 12.305 -3.157 1.00 51.03 C ATOM 1258 O LEU A 74 -11.062 12.306 -2.909 1.00 41.32 O ATOM 1259 CB LEU A 74 -9.255 10.371 -4.696 1.00 12.23 C ATOM 1260 CG LEU A 74 -9.039 9.808 -6.138 1.00 61.03 C ATOM 1261 CD1 LEU A 74 -8.835 8.274 -6.130 1.00 23.21 C ATOM 1262 CD2 LEU A 74 -10.204 10.208 -7.072 1.00 21.54 C ATOM 0 H LEU A 74 -7.226 11.930 -4.754 1.00 74.11 H new ATOM 0 HA LEU A 74 -10.031 12.279 -5.320 1.00 63.31 H new ATOM 0 HB2 LEU A 74 -8.440 10.016 -4.066 1.00 12.23 H new ATOM 0 HB3 LEU A 74 -10.176 9.944 -4.298 1.00 12.23 H new ATOM 0 HG LEU A 74 -8.125 10.256 -6.527 1.00 61.03 H new ATOM 0 HD11 LEU A 74 -8.688 7.921 -7.151 1.00 23.21 H new ATOM 0 HD12 LEU A 74 -7.959 8.027 -5.531 1.00 23.21 H new ATOM 0 HD13 LEU A 74 -9.714 7.792 -5.703 1.00 23.21 H new ATOM 0 HD21 LEU A 74 -10.027 9.803 -8.068 1.00 21.54 H new ATOM 0 HD22 LEU A 74 -11.139 9.809 -6.679 1.00 21.54 H new ATOM 0 HD23 LEU A 74 -10.268 11.295 -7.128 1.00 21.54 H new ATOM 1274 N GLY A 75 -8.909 12.612 -2.246 1.00 42.14 N ATOM 1275 CA GLY A 75 -9.240 13.128 -0.920 1.00 15.43 C ATOM 1276 C GLY A 75 -9.439 12.012 0.087 1.00 11.54 C ATOM 1277 O GLY A 75 -10.525 11.854 0.650 1.00 45.44 O ATOM 0 H GLY A 75 -7.908 12.508 -2.414 1.00 42.14 H new ATOM 0 HA2 GLY A 75 -8.443 13.788 -0.578 1.00 15.43 H new ATOM 0 HA3 GLY A 75 -10.147 13.729 -0.980 1.00 15.43 H new ATOM 1281 N TYR A 76 -8.375 11.214 0.276 1.00 74.11 N ATOM 1282 CA TYR A 76 -8.305 10.149 1.306 1.00 54.02 C ATOM 1283 C TYR A 76 -6.994 10.280 2.076 1.00 63.34 C ATOM 1284 O TYR A 76 -6.044 10.917 1.596 1.00 20.05 O ATOM 1285 CB TYR A 76 -8.394 8.731 0.681 1.00 73.23 C ATOM 1286 CG TYR A 76 -9.665 8.479 -0.136 1.00 24.32 C ATOM 1287 CD1 TYR A 76 -10.926 8.627 0.444 1.00 24.22 C ATOM 1288 CD2 TYR A 76 -9.604 8.098 -1.478 1.00 61.35 C ATOM 1289 CE1 TYR A 76 -12.068 8.418 -0.284 1.00 72.30 C ATOM 1290 CE2 TYR A 76 -10.746 7.884 -2.208 1.00 24.02 C ATOM 1291 CZ TYR A 76 -11.978 8.047 -1.609 1.00 64.10 C ATOM 1292 OH TYR A 76 -13.124 7.827 -2.329 1.00 52.25 O ATOM 0 H TYR A 76 -7.527 11.286 -0.285 1.00 74.11 H new ATOM 0 HA TYR A 76 -9.157 10.273 1.975 1.00 54.02 H new ATOM 0 HB2 TYR A 76 -7.527 8.575 0.039 1.00 73.23 H new ATOM 0 HB3 TYR A 76 -8.337 7.991 1.479 1.00 73.23 H new ATOM 0 HD1 TYR A 76 -11.003 8.911 1.483 1.00 24.22 H new ATOM 0 HD2 TYR A 76 -8.641 7.969 -1.950 1.00 61.35 H new ATOM 0 HE1 TYR A 76 -13.036 8.544 0.179 1.00 72.30 H new ATOM 0 HE2 TYR A 76 -10.681 7.590 -3.245 1.00 24.02 H new ATOM 0 HH TYR A 76 -12.900 7.384 -3.174 1.00 52.25 H new ATOM 1302 N LYS A 77 -6.941 9.665 3.264 1.00 5.24 N ATOM 1303 CA LYS A 77 -5.721 9.609 4.069 1.00 41.01 C ATOM 1304 C LYS A 77 -4.828 8.482 3.511 1.00 43.41 C ATOM 1305 O LYS A 77 -5.187 7.295 3.568 1.00 61.32 O ATOM 1306 CB LYS A 77 -6.059 9.396 5.565 1.00 31.40 C ATOM 1307 CG LYS A 77 -4.865 9.604 6.523 1.00 60.02 C ATOM 1308 CD LYS A 77 -4.325 11.058 6.478 1.00 64.32 C ATOM 1309 CE LYS A 77 -3.130 11.287 7.413 1.00 52.44 C ATOM 1310 NZ LYS A 77 -1.929 10.494 7.019 1.00 60.03 N ATOM 0 H LYS A 77 -7.740 9.195 3.690 1.00 5.24 H new ATOM 0 HA LYS A 77 -5.182 10.554 4.007 1.00 41.01 H new ATOM 0 HB2 LYS A 77 -6.859 10.081 5.846 1.00 31.40 H new ATOM 0 HB3 LYS A 77 -6.444 8.385 5.698 1.00 31.40 H new ATOM 0 HG2 LYS A 77 -5.172 9.363 7.541 1.00 60.02 H new ATOM 0 HG3 LYS A 77 -4.065 8.913 6.259 1.00 60.02 H new ATOM 0 HD2 LYS A 77 -4.030 11.298 5.456 1.00 64.32 H new ATOM 0 HD3 LYS A 77 -5.127 11.745 6.748 1.00 64.32 H new ATOM 0 HE2 LYS A 77 -2.875 12.347 7.417 1.00 52.44 H new ATOM 0 HE3 LYS A 77 -3.416 11.024 8.432 1.00 52.44 H new ATOM 0 HZ1 LYS A 77 -1.137 10.725 7.653 1.00 60.03 H new ATOM 0 HZ2 LYS A 77 -2.145 9.479 7.090 1.00 60.03 H new ATOM 0 HZ3 LYS A 77 -1.667 10.725 6.039 1.00 60.03 H new ATOM 1324 N VAL A 78 -3.683 8.875 2.941 1.00 50.21 N ATOM 1325 CA VAL A 78 -2.809 7.970 2.189 1.00 33.50 C ATOM 1326 C VAL A 78 -1.785 7.319 3.139 1.00 0.51 C ATOM 1327 O VAL A 78 -0.994 8.018 3.786 1.00 51.23 O ATOM 1328 CB VAL A 78 -2.059 8.730 1.036 1.00 13.43 C ATOM 1329 CG1 VAL A 78 -1.271 7.745 0.133 1.00 1.43 C ATOM 1330 CG2 VAL A 78 -3.036 9.591 0.195 1.00 31.52 C ATOM 0 H VAL A 78 -3.336 9.833 2.989 1.00 50.21 H new ATOM 0 HA VAL A 78 -3.431 7.197 1.738 1.00 33.50 H new ATOM 0 HB VAL A 78 -1.341 9.404 1.504 1.00 13.43 H new ATOM 0 HG11 VAL A 78 -0.763 8.301 -0.655 1.00 1.43 H new ATOM 0 HG12 VAL A 78 -0.534 7.211 0.733 1.00 1.43 H new ATOM 0 HG13 VAL A 78 -1.961 7.030 -0.315 1.00 1.43 H new ATOM 0 HG21 VAL A 78 -2.484 10.103 -0.593 1.00 31.52 H new ATOM 0 HG22 VAL A 78 -3.795 8.949 -0.252 1.00 31.52 H new ATOM 0 HG23 VAL A 78 -3.517 10.328 0.838 1.00 31.52 H new ATOM 1340 N PHE A 79 -1.843 5.990 3.235 1.00 71.42 N ATOM 1341 CA PHE A 79 -0.901 5.175 4.008 1.00 62.42 C ATOM 1342 C PHE A 79 -0.081 4.319 3.015 1.00 1.15 C ATOM 1343 O PHE A 79 -0.608 3.872 1.991 1.00 11.25 O ATOM 1344 CB PHE A 79 -1.698 4.291 5.019 1.00 10.32 C ATOM 1345 CG PHE A 79 -0.879 3.627 6.145 1.00 32.31 C ATOM 1346 CD1 PHE A 79 -0.031 2.549 5.890 1.00 63.42 C ATOM 1347 CD2 PHE A 79 -0.986 4.071 7.466 1.00 44.54 C ATOM 1348 CE1 PHE A 79 0.677 1.940 6.902 1.00 51.12 C ATOM 1349 CE2 PHE A 79 -0.273 3.461 8.482 1.00 71.44 C ATOM 1350 CZ PHE A 79 0.559 2.397 8.199 1.00 41.53 C ATOM 0 H PHE A 79 -2.561 5.437 2.768 1.00 71.42 H new ATOM 0 HA PHE A 79 -0.215 5.796 4.583 1.00 62.42 H new ATOM 0 HB2 PHE A 79 -2.471 4.908 5.477 1.00 10.32 H new ATOM 0 HB3 PHE A 79 -2.207 3.507 4.459 1.00 10.32 H new ATOM 0 HD1 PHE A 79 0.072 2.185 4.879 1.00 63.42 H new ATOM 0 HD2 PHE A 79 -1.635 4.903 7.697 1.00 44.54 H new ATOM 0 HE1 PHE A 79 1.325 1.105 6.681 1.00 51.12 H new ATOM 0 HE2 PHE A 79 -0.367 3.817 9.497 1.00 71.44 H new ATOM 0 HZ PHE A 79 1.118 1.922 8.992 1.00 41.53 H new ATOM 1360 N LEU A 80 1.203 4.118 3.322 1.00 62.52 N ATOM 1361 CA LEU A 80 2.125 3.282 2.534 1.00 73.41 C ATOM 1362 C LEU A 80 2.938 2.396 3.500 1.00 1.15 C ATOM 1363 O LEU A 80 3.193 2.784 4.640 1.00 2.01 O ATOM 1364 CB LEU A 80 3.057 4.176 1.661 1.00 54.33 C ATOM 1365 CG LEU A 80 4.078 3.436 0.720 1.00 75.03 C ATOM 1366 CD1 LEU A 80 3.367 2.582 -0.346 1.00 21.10 C ATOM 1367 CD2 LEU A 80 5.052 4.427 0.062 1.00 55.24 C ATOM 0 H LEU A 80 1.644 4.538 4.140 1.00 62.52 H new ATOM 0 HA LEU A 80 1.561 2.642 1.855 1.00 73.41 H new ATOM 0 HB2 LEU A 80 2.429 4.817 1.042 1.00 54.33 H new ATOM 0 HB3 LEU A 80 3.621 4.829 2.327 1.00 54.33 H new ATOM 0 HG LEU A 80 4.654 2.759 1.351 1.00 75.03 H new ATOM 0 HD11 LEU A 80 4.110 2.090 -0.973 1.00 21.10 H new ATOM 0 HD12 LEU A 80 2.749 1.829 0.144 1.00 21.10 H new ATOM 0 HD13 LEU A 80 2.737 3.222 -0.964 1.00 21.10 H new ATOM 0 HD21 LEU A 80 5.744 3.884 -0.582 1.00 55.24 H new ATOM 0 HD22 LEU A 80 4.491 5.147 -0.534 1.00 55.24 H new ATOM 0 HD23 LEU A 80 5.612 4.954 0.834 1.00 55.24 H new ATOM 1379 N LEU A 81 3.289 1.198 3.042 1.00 73.40 N ATOM 1380 CA LEU A 81 4.095 0.226 3.782 1.00 31.11 C ATOM 1381 C LEU A 81 4.927 -0.541 2.759 1.00 22.43 C ATOM 1382 O LEU A 81 4.369 -1.255 1.944 1.00 25.42 O ATOM 1383 CB LEU A 81 3.175 -0.740 4.589 1.00 5.33 C ATOM 1384 CG LEU A 81 3.851 -2.020 5.201 1.00 74.12 C ATOM 1385 CD1 LEU A 81 4.975 -1.663 6.193 1.00 12.32 C ATOM 1386 CD2 LEU A 81 2.795 -2.947 5.845 1.00 62.40 C ATOM 0 H LEU A 81 3.013 0.865 2.118 1.00 73.40 H new ATOM 0 HA LEU A 81 4.745 0.726 4.501 1.00 31.11 H new ATOM 0 HB2 LEU A 81 2.720 -0.175 5.402 1.00 5.33 H new ATOM 0 HB3 LEU A 81 2.366 -1.064 3.934 1.00 5.33 H new ATOM 0 HG LEU A 81 4.320 -2.565 4.382 1.00 74.12 H new ATOM 0 HD11 LEU A 81 5.413 -2.578 6.591 1.00 12.32 H new ATOM 0 HD12 LEU A 81 5.744 -1.086 5.679 1.00 12.32 H new ATOM 0 HD13 LEU A 81 4.564 -1.072 7.011 1.00 12.32 H new ATOM 0 HD21 LEU A 81 3.288 -3.826 6.261 1.00 62.40 H new ATOM 0 HD22 LEU A 81 2.277 -2.411 6.640 1.00 62.40 H new ATOM 0 HD23 LEU A 81 2.075 -3.259 5.088 1.00 62.40 H new ATOM 1398 N LEU A 82 6.253 -0.382 2.797 1.00 65.34 N ATOM 1399 CA LEU A 82 7.166 -1.007 1.820 1.00 35.30 C ATOM 1400 C LEU A 82 8.164 -1.948 2.524 1.00 63.44 C ATOM 1401 O LEU A 82 8.569 -1.693 3.667 1.00 3.32 O ATOM 1402 CB LEU A 82 7.864 0.098 0.943 1.00 30.41 C ATOM 1403 CG LEU A 82 8.313 1.434 1.657 1.00 60.11 C ATOM 1404 CD1 LEU A 82 9.502 1.232 2.603 1.00 63.30 C ATOM 1405 CD2 LEU A 82 8.630 2.545 0.638 1.00 43.53 C ATOM 0 H LEU A 82 6.729 0.181 3.502 1.00 65.34 H new ATOM 0 HA LEU A 82 6.592 -1.633 1.137 1.00 35.30 H new ATOM 0 HB2 LEU A 82 8.746 -0.348 0.483 1.00 30.41 H new ATOM 0 HB3 LEU A 82 7.182 0.363 0.135 1.00 30.41 H new ATOM 0 HG LEU A 82 7.462 1.747 2.262 1.00 60.11 H new ATOM 0 HD11 LEU A 82 9.766 2.184 3.064 1.00 63.30 H new ATOM 0 HD12 LEU A 82 9.232 0.515 3.378 1.00 63.30 H new ATOM 0 HD13 LEU A 82 10.355 0.853 2.040 1.00 63.30 H new ATOM 0 HD21 LEU A 82 8.935 3.448 1.167 1.00 43.53 H new ATOM 0 HD22 LEU A 82 9.437 2.218 -0.017 1.00 43.53 H new ATOM 0 HD23 LEU A 82 7.742 2.756 0.042 1.00 43.53 H new ATOM 1417 N GLN A 83 8.531 -3.047 1.836 1.00 60.13 N ATOM 1418 CA GLN A 83 9.491 -4.040 2.353 1.00 41.43 C ATOM 1419 C GLN A 83 10.445 -4.470 1.238 1.00 53.10 C ATOM 1420 O GLN A 83 10.042 -4.554 0.064 1.00 22.42 O ATOM 1421 CB GLN A 83 8.749 -5.279 2.973 1.00 12.51 C ATOM 1422 CG GLN A 83 8.044 -6.258 1.977 1.00 22.31 C ATOM 1423 CD GLN A 83 8.957 -7.333 1.341 1.00 43.52 C ATOM 1424 OE1 GLN A 83 8.755 -7.737 0.199 1.00 5.15 O ATOM 1425 NE2 GLN A 83 9.956 -7.804 2.076 1.00 24.05 N ATOM 0 H GLN A 83 8.171 -3.270 0.908 1.00 60.13 H new ATOM 0 HA GLN A 83 10.072 -3.578 3.151 1.00 41.43 H new ATOM 0 HB2 GLN A 83 9.472 -5.851 3.554 1.00 12.51 H new ATOM 0 HB3 GLN A 83 7.999 -4.909 3.672 1.00 12.51 H new ATOM 0 HG2 GLN A 83 7.232 -6.761 2.502 1.00 22.31 H new ATOM 0 HG3 GLN A 83 7.591 -5.671 1.177 1.00 22.31 H new ATOM 0 HE21 GLN A 83 10.103 -7.452 3.022 1.00 24.05 H new ATOM 0 HE22 GLN A 83 10.577 -8.518 1.695 1.00 24.05 H new ATOM 1434 N ASP A 84 11.710 -4.695 1.614 1.00 5.35 N ATOM 1435 CA ASP A 84 12.715 -5.347 0.759 1.00 65.45 C ATOM 1436 C ASP A 84 13.946 -5.702 1.615 1.00 21.54 C ATOM 1437 O ASP A 84 14.130 -5.131 2.701 1.00 40.33 O ATOM 1438 CB ASP A 84 13.107 -4.429 -0.429 1.00 30.13 C ATOM 1439 CG ASP A 84 13.879 -5.159 -1.536 1.00 41.20 C ATOM 1440 OD1 ASP A 84 13.247 -5.887 -2.325 1.00 43.13 O ATOM 1441 OD2 ASP A 84 15.105 -4.997 -1.641 1.00 74.11 O ATOM 0 H ASP A 84 12.070 -4.427 2.530 1.00 5.35 H new ATOM 0 HA ASP A 84 12.296 -6.261 0.338 1.00 65.45 H new ATOM 0 HB2 ASP A 84 12.203 -3.992 -0.854 1.00 30.13 H new ATOM 0 HB3 ASP A 84 13.715 -3.604 -0.056 1.00 30.13 H new ATOM 1446 N GLN A 85 14.794 -6.617 1.109 1.00 62.54 N ATOM 1447 CA GLN A 85 16.053 -7.003 1.779 1.00 34.21 C ATOM 1448 C GLN A 85 17.068 -5.841 1.767 1.00 63.22 C ATOM 1449 O GLN A 85 17.881 -5.716 2.692 1.00 42.05 O ATOM 1450 CB GLN A 85 16.648 -8.283 1.132 1.00 75.13 C ATOM 1451 CG GLN A 85 15.806 -9.552 1.385 1.00 31.13 C ATOM 1452 CD GLN A 85 15.703 -9.931 2.872 1.00 55.21 C ATOM 1453 OE1 GLN A 85 16.631 -9.716 3.654 1.00 33.15 O ATOM 1454 NE2 GLN A 85 14.561 -10.463 3.276 1.00 44.43 N ATOM 0 H GLN A 85 14.629 -7.107 0.230 1.00 62.54 H new ATOM 0 HA GLN A 85 15.829 -7.229 2.822 1.00 34.21 H new ATOM 0 HB2 GLN A 85 16.741 -8.127 0.057 1.00 75.13 H new ATOM 0 HB3 GLN A 85 17.654 -8.442 1.519 1.00 75.13 H new ATOM 0 HG2 GLN A 85 14.803 -9.399 0.987 1.00 31.13 H new ATOM 0 HG3 GLN A 85 16.244 -10.385 0.835 1.00 31.13 H new ATOM 0 HE21 GLN A 85 13.811 -10.629 2.606 1.00 44.43 H new ATOM 0 HE22 GLN A 85 14.431 -10.707 4.258 1.00 44.43 H new ATOM 1463 N ASP A 86 17.010 -4.993 0.720 1.00 60.23 N ATOM 1464 CA ASP A 86 17.766 -3.739 0.666 1.00 61.34 C ATOM 1465 C ASP A 86 16.902 -2.644 1.317 1.00 75.15 C ATOM 1466 O ASP A 86 15.795 -2.356 0.851 1.00 4.42 O ATOM 1467 CB ASP A 86 18.130 -3.362 -0.799 1.00 5.20 C ATOM 1468 CG ASP A 86 19.174 -2.219 -0.903 1.00 42.41 C ATOM 1469 OD1 ASP A 86 18.904 -1.089 -0.441 1.00 12.34 O ATOM 1470 OD2 ASP A 86 20.279 -2.449 -1.438 1.00 31.11 O ATOM 0 H ASP A 86 16.437 -5.164 -0.107 1.00 60.23 H new ATOM 0 HA ASP A 86 18.708 -3.848 1.204 1.00 61.34 H new ATOM 0 HB2 ASP A 86 18.518 -4.245 -1.307 1.00 5.20 H new ATOM 0 HB3 ASP A 86 17.223 -3.064 -1.325 1.00 5.20 H new ATOM 1475 N GLU A 87 17.435 -2.047 2.381 1.00 3.13 N ATOM 1476 CA GLU A 87 16.741 -1.060 3.228 1.00 23.11 C ATOM 1477 C GLU A 87 16.952 0.377 2.696 1.00 13.22 C ATOM 1478 O GLU A 87 16.112 1.265 2.916 1.00 35.31 O ATOM 1479 CB GLU A 87 17.276 -1.249 4.689 1.00 21.31 C ATOM 1480 CG GLU A 87 16.690 -0.317 5.787 1.00 2.44 C ATOM 1481 CD GLU A 87 17.580 0.905 6.112 1.00 72.44 C ATOM 1482 OE1 GLU A 87 18.518 0.766 6.924 1.00 42.45 O ATOM 1483 OE2 GLU A 87 17.341 2.003 5.574 1.00 42.41 O ATOM 0 H GLU A 87 18.388 -2.237 2.692 1.00 3.13 H new ATOM 0 HA GLU A 87 15.663 -1.218 3.212 1.00 23.11 H new ATOM 0 HB2 GLU A 87 17.088 -2.281 4.986 1.00 21.31 H new ATOM 0 HB3 GLU A 87 18.357 -1.113 4.673 1.00 21.31 H new ATOM 0 HG2 GLU A 87 15.710 0.035 5.466 1.00 2.44 H new ATOM 0 HG3 GLU A 87 16.538 -0.896 6.698 1.00 2.44 H new ATOM 1490 N ASN A 88 18.060 0.584 1.964 1.00 23.40 N ATOM 1491 CA ASN A 88 18.490 1.928 1.514 1.00 14.04 C ATOM 1492 C ASN A 88 17.739 2.403 0.260 1.00 14.44 C ATOM 1493 O ASN A 88 17.547 3.598 0.084 1.00 30.13 O ATOM 1494 CB ASN A 88 20.014 1.957 1.271 1.00 42.21 C ATOM 1495 CG ASN A 88 20.852 1.707 2.529 1.00 20.40 C ATOM 1496 OD1 ASN A 88 21.908 1.088 2.457 1.00 74.04 O ATOM 1497 ND2 ASN A 88 20.416 2.209 3.684 1.00 63.21 N ATOM 0 H ASN A 88 18.682 -0.168 1.667 1.00 23.40 H new ATOM 0 HA ASN A 88 18.240 2.622 2.316 1.00 14.04 H new ATOM 0 HB2 ASN A 88 20.266 1.205 0.524 1.00 42.21 H new ATOM 0 HB3 ASN A 88 20.286 2.926 0.853 1.00 42.21 H new ATOM 0 HD21 ASN A 88 20.964 2.082 4.535 1.00 63.21 H new ATOM 0 HD22 ASN A 88 19.534 2.720 3.717 1.00 63.21 H new ATOM 1504 N GLU A 89 17.321 1.480 -0.613 1.00 2.12 N ATOM 1505 CA GLU A 89 16.457 1.825 -1.765 1.00 33.25 C ATOM 1506 C GLU A 89 15.053 2.218 -1.265 1.00 32.41 C ATOM 1507 O GLU A 89 14.381 3.079 -1.851 1.00 53.42 O ATOM 1508 CB GLU A 89 16.359 0.641 -2.747 1.00 62.34 C ATOM 1509 CG GLU A 89 17.684 0.229 -3.403 1.00 32.10 C ATOM 1510 CD GLU A 89 17.511 -0.962 -4.364 1.00 44.45 C ATOM 1511 OE1 GLU A 89 17.382 -2.108 -3.885 1.00 12.33 O ATOM 1512 OE2 GLU A 89 17.460 -0.756 -5.594 1.00 74.22 O ATOM 0 H GLU A 89 17.561 0.491 -0.551 1.00 2.12 H new ATOM 0 HA GLU A 89 16.900 2.670 -2.292 1.00 33.25 H new ATOM 0 HB2 GLU A 89 15.951 -0.219 -2.216 1.00 62.34 H new ATOM 0 HB3 GLU A 89 15.647 0.898 -3.532 1.00 62.34 H new ATOM 0 HG2 GLU A 89 18.097 1.077 -3.949 1.00 32.10 H new ATOM 0 HG3 GLU A 89 18.405 -0.033 -2.629 1.00 32.10 H new ATOM 1519 N LEU A 90 14.639 1.570 -0.159 1.00 13.25 N ATOM 1520 CA LEU A 90 13.361 1.837 0.511 1.00 45.40 C ATOM 1521 C LEU A 90 13.316 3.262 1.088 1.00 3.55 C ATOM 1522 O LEU A 90 12.268 3.901 1.028 1.00 31.33 O ATOM 1523 CB LEU A 90 13.116 0.804 1.636 1.00 51.42 C ATOM 1524 CG LEU A 90 12.964 -0.681 1.186 1.00 54.43 C ATOM 1525 CD1 LEU A 90 12.830 -1.608 2.406 1.00 0.22 C ATOM 1526 CD2 LEU A 90 11.774 -0.859 0.211 1.00 22.42 C ATOM 0 H LEU A 90 15.190 0.841 0.295 1.00 13.25 H new ATOM 0 HA LEU A 90 12.572 1.748 -0.235 1.00 45.40 H new ATOM 0 HB2 LEU A 90 13.943 0.865 2.343 1.00 51.42 H new ATOM 0 HB3 LEU A 90 12.214 1.093 2.176 1.00 51.42 H new ATOM 0 HG LEU A 90 13.869 -0.961 0.646 1.00 54.43 H new ATOM 0 HD11 LEU A 90 12.725 -2.639 2.069 1.00 0.22 H new ATOM 0 HD12 LEU A 90 13.719 -1.519 3.030 1.00 0.22 H new ATOM 0 HD13 LEU A 90 11.951 -1.324 2.984 1.00 0.22 H new ATOM 0 HD21 LEU A 90 11.697 -1.906 -0.082 1.00 22.42 H new ATOM 0 HD22 LEU A 90 10.851 -0.552 0.703 1.00 22.42 H new ATOM 0 HD23 LEU A 90 11.935 -0.245 -0.675 1.00 22.42 H new ATOM 1538 N GLU A 91 14.456 3.753 1.637 1.00 53.33 N ATOM 1539 CA GLU A 91 14.518 5.100 2.254 1.00 2.25 C ATOM 1540 C GLU A 91 14.551 6.206 1.189 1.00 42.40 C ATOM 1541 O GLU A 91 14.075 7.315 1.447 1.00 11.12 O ATOM 1542 CB GLU A 91 15.728 5.252 3.222 1.00 45.23 C ATOM 1543 CG GLU A 91 17.115 5.310 2.566 1.00 0.02 C ATOM 1544 CD GLU A 91 18.260 5.519 3.565 1.00 53.41 C ATOM 1545 OE1 GLU A 91 18.618 4.560 4.260 1.00 72.12 O ATOM 1546 OE2 GLU A 91 18.793 6.646 3.669 1.00 23.54 O ATOM 0 H GLU A 91 15.337 3.240 1.665 1.00 53.33 H new ATOM 0 HA GLU A 91 13.606 5.209 2.842 1.00 2.25 H new ATOM 0 HB2 GLU A 91 15.587 6.161 3.807 1.00 45.23 H new ATOM 0 HB3 GLU A 91 15.714 4.417 3.922 1.00 45.23 H new ATOM 0 HG2 GLU A 91 17.287 4.384 2.018 1.00 0.02 H new ATOM 0 HG3 GLU A 91 17.129 6.120 1.836 1.00 0.02 H new ATOM 1553 N GLU A 92 15.125 5.901 0.005 1.00 14.12 N ATOM 1554 CA GLU A 92 15.194 6.847 -1.120 1.00 63.31 C ATOM 1555 C GLU A 92 13.792 7.125 -1.683 1.00 31.42 C ATOM 1556 O GLU A 92 13.463 8.270 -2.021 1.00 23.40 O ATOM 1557 CB GLU A 92 16.128 6.288 -2.216 1.00 30.43 C ATOM 1558 CG GLU A 92 17.588 6.127 -1.758 1.00 0.12 C ATOM 1559 CD GLU A 92 18.511 5.589 -2.858 1.00 4.43 C ATOM 1560 OE1 GLU A 92 18.468 4.372 -3.152 1.00 2.35 O ATOM 1561 OE2 GLU A 92 19.279 6.381 -3.442 1.00 70.34 O ATOM 0 H GLU A 92 15.550 4.995 -0.193 1.00 14.12 H new ATOM 0 HA GLU A 92 15.601 7.793 -0.762 1.00 63.31 H new ATOM 0 HB2 GLU A 92 15.750 5.320 -2.544 1.00 30.43 H new ATOM 0 HB3 GLU A 92 16.098 6.952 -3.080 1.00 30.43 H new ATOM 0 HG2 GLU A 92 17.964 7.092 -1.417 1.00 0.12 H new ATOM 0 HG3 GLU A 92 17.621 5.452 -0.903 1.00 0.12 H new ATOM 1568 N PHE A 93 12.975 6.065 -1.785 1.00 22.53 N ATOM 1569 CA PHE A 93 11.558 6.193 -2.158 1.00 14.45 C ATOM 1570 C PHE A 93 10.776 6.873 -1.017 1.00 71.13 C ATOM 1571 O PHE A 93 9.980 7.777 -1.262 1.00 32.20 O ATOM 1572 CB PHE A 93 10.958 4.801 -2.486 1.00 44.40 C ATOM 1573 CG PHE A 93 9.534 4.832 -3.075 1.00 41.11 C ATOM 1574 CD1 PHE A 93 9.321 5.198 -4.401 1.00 42.23 C ATOM 1575 CD2 PHE A 93 8.420 4.475 -2.316 1.00 74.32 C ATOM 1576 CE1 PHE A 93 8.053 5.212 -4.942 1.00 11.53 C ATOM 1577 CE2 PHE A 93 7.154 4.487 -2.863 1.00 33.22 C ATOM 1578 CZ PHE A 93 6.970 4.856 -4.176 1.00 14.13 C ATOM 0 H PHE A 93 13.274 5.105 -1.613 1.00 22.53 H new ATOM 0 HA PHE A 93 11.479 6.813 -3.051 1.00 14.45 H new ATOM 0 HB2 PHE A 93 11.617 4.294 -3.192 1.00 44.40 H new ATOM 0 HB3 PHE A 93 10.946 4.203 -1.575 1.00 44.40 H new ATOM 0 HD1 PHE A 93 10.164 5.476 -5.017 1.00 42.23 H new ATOM 0 HD2 PHE A 93 8.551 4.185 -1.284 1.00 74.32 H new ATOM 0 HE1 PHE A 93 7.911 5.504 -5.972 1.00 11.53 H new ATOM 0 HE2 PHE A 93 6.304 4.206 -2.259 1.00 33.22 H new ATOM 0 HZ PHE A 93 5.978 4.866 -4.602 1.00 14.13 H new ATOM 1588 N LYS A 94 11.052 6.445 0.236 1.00 63.24 N ATOM 1589 CA LYS A 94 10.298 6.872 1.433 1.00 44.15 C ATOM 1590 C LYS A 94 10.397 8.383 1.685 1.00 23.10 C ATOM 1591 O LYS A 94 9.392 9.005 1.986 1.00 71.24 O ATOM 1592 CB LYS A 94 10.774 6.094 2.687 1.00 14.33 C ATOM 1593 CG LYS A 94 9.930 6.351 3.953 1.00 1.50 C ATOM 1594 CD LYS A 94 10.324 5.463 5.149 1.00 21.35 C ATOM 1595 CE LYS A 94 11.697 5.814 5.749 1.00 3.10 C ATOM 1596 NZ LYS A 94 11.745 7.175 6.350 1.00 62.24 N ATOM 0 H LYS A 94 11.807 5.791 0.444 1.00 63.24 H new ATOM 0 HA LYS A 94 9.250 6.642 1.239 1.00 44.15 H new ATOM 0 HB2 LYS A 94 10.759 5.027 2.465 1.00 14.33 H new ATOM 0 HB3 LYS A 94 11.810 6.362 2.895 1.00 14.33 H new ATOM 0 HG2 LYS A 94 10.030 7.398 4.240 1.00 1.50 H new ATOM 0 HG3 LYS A 94 8.879 6.184 3.718 1.00 1.50 H new ATOM 0 HD2 LYS A 94 9.564 5.554 5.925 1.00 21.35 H new ATOM 0 HD3 LYS A 94 10.331 4.421 4.830 1.00 21.35 H new ATOM 0 HE2 LYS A 94 11.952 5.078 6.512 1.00 3.10 H new ATOM 0 HE3 LYS A 94 12.456 5.741 4.970 1.00 3.10 H new ATOM 0 HZ1 LYS A 94 12.552 7.238 7.004 1.00 62.24 H new ATOM 0 HZ2 LYS A 94 11.854 7.884 5.597 1.00 62.24 H new ATOM 0 HZ3 LYS A 94 10.863 7.356 6.870 1.00 62.24 H new ATOM 1610 N ARG A 95 11.612 8.952 1.564 1.00 52.31 N ATOM 1611 CA ARG A 95 11.858 10.400 1.801 1.00 32.31 C ATOM 1612 C ARG A 95 11.025 11.279 0.841 1.00 5.23 C ATOM 1613 O ARG A 95 10.598 12.379 1.211 1.00 14.23 O ATOM 1614 CB ARG A 95 13.374 10.727 1.689 1.00 60.54 C ATOM 1615 CG ARG A 95 13.976 10.523 0.281 1.00 61.45 C ATOM 1616 CD ARG A 95 15.511 10.582 0.260 1.00 50.22 C ATOM 1617 NE ARG A 95 16.050 11.887 0.692 1.00 22.31 N ATOM 1618 CZ ARG A 95 17.313 12.102 1.107 1.00 11.30 C ATOM 1619 NH1 ARG A 95 18.203 11.113 1.150 1.00 22.22 N ATOM 1620 NH2 ARG A 95 17.686 13.321 1.470 1.00 43.05 N ATOM 0 H ARG A 95 12.449 8.431 1.302 1.00 52.31 H new ATOM 0 HA ARG A 95 11.536 10.631 2.816 1.00 32.31 H new ATOM 0 HB2 ARG A 95 13.532 11.763 1.990 1.00 60.54 H new ATOM 0 HB3 ARG A 95 13.920 10.103 2.397 1.00 60.54 H new ATOM 0 HG2 ARG A 95 13.651 9.558 -0.109 1.00 61.45 H new ATOM 0 HG3 ARG A 95 13.581 11.287 -0.389 1.00 61.45 H new ATOM 0 HD2 ARG A 95 15.907 9.800 0.908 1.00 50.22 H new ATOM 0 HD3 ARG A 95 15.862 10.367 -0.749 1.00 50.22 H new ATOM 0 HE ARG A 95 15.417 12.687 0.675 1.00 22.31 H new ATOM 0 HH11 ARG A 95 17.933 10.171 0.865 1.00 22.22 H new ATOM 0 HH12 ARG A 95 19.155 11.297 1.467 1.00 22.22 H new ATOM 0 HH21 ARG A 95 17.018 14.091 1.434 1.00 43.05 H new ATOM 0 HH22 ARG A 95 18.641 13.489 1.785 1.00 43.05 H new ATOM 1634 N LYS A 96 10.786 10.759 -0.384 1.00 65.24 N ATOM 1635 CA LYS A 96 9.900 11.386 -1.381 1.00 1.32 C ATOM 1636 C LYS A 96 8.442 11.412 -0.868 1.00 73.05 C ATOM 1637 O LYS A 96 7.737 12.408 -1.019 1.00 73.11 O ATOM 1638 CB LYS A 96 9.979 10.597 -2.727 1.00 2.44 C ATOM 1639 CG LYS A 96 11.358 10.600 -3.460 1.00 63.25 C ATOM 1640 CD LYS A 96 11.537 11.775 -4.465 1.00 65.51 C ATOM 1641 CE LYS A 96 11.883 13.122 -3.806 1.00 64.34 C ATOM 1642 NZ LYS A 96 13.250 13.118 -3.222 1.00 61.03 N ATOM 0 H LYS A 96 11.207 9.888 -0.707 1.00 65.24 H new ATOM 0 HA LYS A 96 10.227 12.413 -1.546 1.00 1.32 H new ATOM 0 HB2 LYS A 96 9.699 9.562 -2.532 1.00 2.44 H new ATOM 0 HB3 LYS A 96 9.231 11.007 -3.406 1.00 2.44 H new ATOM 0 HG2 LYS A 96 12.153 10.647 -2.716 1.00 63.25 H new ATOM 0 HG3 LYS A 96 11.476 9.657 -3.994 1.00 63.25 H new ATOM 0 HD2 LYS A 96 12.325 11.516 -5.172 1.00 65.51 H new ATOM 0 HD3 LYS A 96 10.618 11.890 -5.040 1.00 65.51 H new ATOM 0 HE2 LYS A 96 11.807 13.919 -4.546 1.00 64.34 H new ATOM 0 HE3 LYS A 96 11.155 13.342 -3.025 1.00 64.34 H new ATOM 0 HZ1 LYS A 96 13.490 14.075 -2.894 1.00 61.03 H new ATOM 0 HZ2 LYS A 96 13.282 12.458 -2.419 1.00 61.03 H new ATOM 0 HZ3 LYS A 96 13.935 12.818 -3.944 1.00 61.03 H new ATOM 1656 N ILE A 97 8.025 10.298 -0.250 1.00 61.25 N ATOM 1657 CA ILE A 97 6.635 10.078 0.220 1.00 65.22 C ATOM 1658 C ILE A 97 6.337 10.917 1.494 1.00 72.45 C ATOM 1659 O ILE A 97 5.239 11.470 1.648 1.00 52.23 O ATOM 1660 CB ILE A 97 6.393 8.540 0.495 1.00 12.15 C ATOM 1661 CG1 ILE A 97 6.875 7.666 -0.711 1.00 2.34 C ATOM 1662 CG2 ILE A 97 4.917 8.237 0.827 1.00 52.24 C ATOM 1663 CD1 ILE A 97 6.289 8.036 -2.062 1.00 71.20 C ATOM 0 H ILE A 97 8.644 9.511 -0.057 1.00 61.25 H new ATOM 0 HA ILE A 97 5.951 10.407 -0.562 1.00 65.22 H new ATOM 0 HB ILE A 97 6.988 8.278 1.370 1.00 12.15 H new ATOM 0 HG12 ILE A 97 7.961 7.733 -0.775 1.00 2.34 H new ATOM 0 HG13 ILE A 97 6.632 6.624 -0.502 1.00 2.34 H new ATOM 0 HG21 ILE A 97 4.797 7.169 1.009 1.00 52.24 H new ATOM 0 HG22 ILE A 97 4.623 8.792 1.718 1.00 52.24 H new ATOM 0 HG23 ILE A 97 4.287 8.536 -0.011 1.00 52.24 H new ATOM 0 HD11 ILE A 97 6.688 7.370 -2.827 1.00 71.20 H new ATOM 0 HD12 ILE A 97 5.204 7.939 -2.027 1.00 71.20 H new ATOM 0 HD13 ILE A 97 6.554 9.065 -2.304 1.00 71.20 H new ATOM 1675 N GLU A 98 7.327 10.969 2.407 1.00 23.51 N ATOM 1676 CA GLU A 98 7.325 11.845 3.604 1.00 31.45 C ATOM 1677 C GLU A 98 7.300 13.333 3.206 1.00 21.32 C ATOM 1678 O GLU A 98 6.739 14.163 3.927 1.00 0.11 O ATOM 1679 CB GLU A 98 8.576 11.538 4.484 1.00 0.21 C ATOM 1680 CG GLU A 98 8.644 10.081 4.967 1.00 3.05 C ATOM 1681 CD GLU A 98 9.937 9.714 5.710 1.00 32.52 C ATOM 1682 OE1 GLU A 98 11.026 9.762 5.095 1.00 72.32 O ATOM 1683 OE2 GLU A 98 9.873 9.333 6.898 1.00 62.23 O ATOM 0 H GLU A 98 8.167 10.395 2.335 1.00 23.51 H new ATOM 0 HA GLU A 98 6.422 11.640 4.179 1.00 31.45 H new ATOM 0 HB2 GLU A 98 9.476 11.765 3.913 1.00 0.21 H new ATOM 0 HB3 GLU A 98 8.572 12.200 5.350 1.00 0.21 H new ATOM 0 HG2 GLU A 98 7.796 9.890 5.624 1.00 3.05 H new ATOM 0 HG3 GLU A 98 8.535 9.421 4.106 1.00 3.05 H new ATOM 1690 N SER A 99 7.912 13.654 2.045 1.00 11.13 N ATOM 1691 CA SER A 99 7.874 15.007 1.459 1.00 51.35 C ATOM 1692 C SER A 99 6.442 15.345 0.994 1.00 13.25 C ATOM 1693 O SER A 99 6.004 16.496 1.084 1.00 60.51 O ATOM 1694 CB SER A 99 8.875 15.113 0.283 1.00 52.10 C ATOM 1695 OG SER A 99 8.907 16.415 -0.275 1.00 33.34 O ATOM 0 H SER A 99 8.444 12.983 1.491 1.00 11.13 H new ATOM 0 HA SER A 99 8.167 15.730 2.221 1.00 51.35 H new ATOM 0 HB2 SER A 99 9.872 14.844 0.631 1.00 52.10 H new ATOM 0 HB3 SER A 99 8.603 14.394 -0.490 1.00 52.10 H new ATOM 0 HG SER A 99 9.552 16.439 -1.013 1.00 33.34 H new ATOM 1701 N GLN A 100 5.716 14.319 0.515 1.00 11.13 N ATOM 1702 CA GLN A 100 4.299 14.443 0.118 1.00 11.51 C ATOM 1703 C GLN A 100 3.382 14.459 1.357 1.00 44.11 C ATOM 1704 O GLN A 100 2.247 14.928 1.284 1.00 0.41 O ATOM 1705 CB GLN A 100 3.913 13.281 -0.827 1.00 12.44 C ATOM 1706 CG GLN A 100 4.810 13.156 -2.066 1.00 13.03 C ATOM 1707 CD GLN A 100 4.769 14.377 -2.988 1.00 12.32 C ATOM 1708 OE1 GLN A 100 3.727 14.992 -3.182 1.00 50.52 O ATOM 1709 NE2 GLN A 100 5.915 14.762 -3.510 1.00 54.43 N ATOM 0 H GLN A 100 6.094 13.380 0.392 1.00 11.13 H new ATOM 0 HA GLN A 100 4.167 15.387 -0.410 1.00 11.51 H new ATOM 0 HB2 GLN A 100 3.950 12.345 -0.269 1.00 12.44 H new ATOM 0 HB3 GLN A 100 2.881 13.418 -1.151 1.00 12.44 H new ATOM 0 HG2 GLN A 100 5.838 12.991 -1.743 1.00 13.03 H new ATOM 0 HG3 GLN A 100 4.509 12.275 -2.633 1.00 13.03 H new ATOM 0 HE21 GLN A 100 6.764 14.226 -3.328 1.00 54.43 H new ATOM 0 HE22 GLN A 100 5.954 15.596 -4.096 1.00 54.43 H new ATOM 1718 N GLY A 101 3.893 13.932 2.483 1.00 52.53 N ATOM 1719 CA GLY A 101 3.183 13.949 3.763 1.00 54.33 C ATOM 1720 C GLY A 101 2.377 12.686 4.033 1.00 51.25 C ATOM 1721 O GLY A 101 1.658 12.623 5.034 1.00 41.20 O ATOM 0 H GLY A 101 4.808 13.484 2.526 1.00 52.53 H new ATOM 0 HA2 GLY A 101 3.906 14.087 4.567 1.00 54.33 H new ATOM 0 HA3 GLY A 101 2.513 14.809 3.785 1.00 54.33 H new ATOM 1725 N TYR A 102 2.515 11.666 3.163 1.00 64.20 N ATOM 1726 CA TYR A 102 1.758 10.404 3.288 1.00 13.43 C ATOM 1727 C TYR A 102 2.356 9.562 4.429 1.00 11.25 C ATOM 1728 O TYR A 102 3.585 9.537 4.596 1.00 71.15 O ATOM 1729 CB TYR A 102 1.790 9.589 1.965 1.00 55.14 C ATOM 1730 CG TYR A 102 1.419 10.356 0.680 1.00 4.43 C ATOM 1731 CD1 TYR A 102 0.503 11.414 0.684 1.00 10.24 C ATOM 1732 CD2 TYR A 102 1.977 9.993 -0.551 1.00 22.52 C ATOM 1733 CE1 TYR A 102 0.174 12.078 -0.481 1.00 74.43 C ATOM 1734 CE2 TYR A 102 1.651 10.652 -1.712 1.00 24.31 C ATOM 1735 CZ TYR A 102 0.750 11.690 -1.678 1.00 30.25 C ATOM 1736 OH TYR A 102 0.435 12.349 -2.844 1.00 60.34 O ATOM 0 H TYR A 102 3.147 11.692 2.363 1.00 64.20 H new ATOM 0 HA TYR A 102 0.719 10.649 3.507 1.00 13.43 H new ATOM 0 HB2 TYR A 102 2.792 9.178 1.841 1.00 55.14 H new ATOM 0 HB3 TYR A 102 1.109 8.744 2.067 1.00 55.14 H new ATOM 0 HD1 TYR A 102 0.046 11.716 1.614 1.00 10.24 H new ATOM 0 HD2 TYR A 102 2.681 9.175 -0.590 1.00 22.52 H new ATOM 0 HE1 TYR A 102 -0.530 12.897 -0.458 1.00 74.43 H new ATOM 0 HE2 TYR A 102 2.101 10.356 -2.648 1.00 24.31 H new ATOM 0 HH TYR A 102 0.929 11.949 -3.590 1.00 60.34 H new ATOM 1746 N GLU A 103 1.493 8.875 5.195 1.00 41.33 N ATOM 1747 CA GLU A 103 1.908 8.053 6.347 1.00 60.34 C ATOM 1748 C GLU A 103 2.569 6.755 5.849 1.00 32.44 C ATOM 1749 O GLU A 103 1.899 5.745 5.638 1.00 51.25 O ATOM 1750 CB GLU A 103 0.682 7.756 7.256 1.00 71.34 C ATOM 1751 CG GLU A 103 0.987 6.944 8.541 1.00 15.41 C ATOM 1752 CD GLU A 103 1.986 7.627 9.489 1.00 21.54 C ATOM 1753 OE1 GLU A 103 1.673 8.722 9.991 1.00 31.44 O ATOM 1754 OE2 GLU A 103 3.075 7.069 9.753 1.00 63.00 O ATOM 0 H GLU A 103 0.486 8.873 5.034 1.00 41.33 H new ATOM 0 HA GLU A 103 2.641 8.598 6.942 1.00 60.34 H new ATOM 0 HB2 GLU A 103 0.228 8.704 7.545 1.00 71.34 H new ATOM 0 HB3 GLU A 103 -0.059 7.212 6.671 1.00 71.34 H new ATOM 0 HG2 GLU A 103 0.055 6.768 9.077 1.00 15.41 H new ATOM 0 HG3 GLU A 103 1.380 5.968 8.257 1.00 15.41 H new ATOM 1761 N VAL A 104 3.885 6.817 5.624 1.00 64.04 N ATOM 1762 CA VAL A 104 4.668 5.697 5.083 1.00 3.00 C ATOM 1763 C VAL A 104 5.446 4.995 6.205 1.00 42.01 C ATOM 1764 O VAL A 104 5.976 5.647 7.111 1.00 60.35 O ATOM 1765 CB VAL A 104 5.647 6.175 3.941 1.00 13.22 C ATOM 1766 CG1 VAL A 104 6.508 7.372 4.397 1.00 21.43 C ATOM 1767 CG2 VAL A 104 6.530 5.012 3.406 1.00 74.10 C ATOM 0 H VAL A 104 4.442 7.650 5.813 1.00 64.04 H new ATOM 0 HA VAL A 104 3.971 4.984 4.643 1.00 3.00 H new ATOM 0 HB VAL A 104 5.026 6.513 3.112 1.00 13.22 H new ATOM 0 HG11 VAL A 104 7.170 7.674 3.585 1.00 21.43 H new ATOM 0 HG12 VAL A 104 5.859 8.206 4.665 1.00 21.43 H new ATOM 0 HG13 VAL A 104 7.104 7.083 5.263 1.00 21.43 H new ATOM 0 HG21 VAL A 104 7.188 5.386 2.622 1.00 74.10 H new ATOM 0 HG22 VAL A 104 7.130 4.606 4.221 1.00 74.10 H new ATOM 0 HG23 VAL A 104 5.891 4.227 3.000 1.00 74.10 H new ATOM 1777 N ARG A 105 5.481 3.659 6.132 1.00 34.33 N ATOM 1778 CA ARG A 105 6.233 2.783 7.032 1.00 11.20 C ATOM 1779 C ARG A 105 7.262 2.002 6.214 1.00 51.24 C ATOM 1780 O ARG A 105 6.994 1.634 5.060 1.00 55.33 O ATOM 1781 CB ARG A 105 5.266 1.803 7.751 1.00 24.50 C ATOM 1782 CG ARG A 105 4.254 2.453 8.735 1.00 4.12 C ATOM 1783 CD ARG A 105 4.919 3.060 9.989 1.00 41.32 C ATOM 1784 NE ARG A 105 5.537 4.356 9.696 1.00 71.44 N ATOM 1785 CZ ARG A 105 6.370 5.036 10.490 1.00 63.31 C ATOM 1786 NH1 ARG A 105 6.770 4.550 11.661 1.00 32.32 N ATOM 1787 NH2 ARG A 105 6.742 6.245 10.128 1.00 62.54 N ATOM 0 H ARG A 105 4.967 3.142 5.418 1.00 34.33 H new ATOM 0 HA ARG A 105 6.743 3.381 7.788 1.00 11.20 H new ATOM 0 HB2 ARG A 105 4.706 1.254 6.994 1.00 24.50 H new ATOM 0 HB3 ARG A 105 5.861 1.073 8.300 1.00 24.50 H new ATOM 0 HG2 ARG A 105 3.701 3.234 8.212 1.00 4.12 H new ATOM 0 HG3 ARG A 105 3.528 1.702 9.046 1.00 4.12 H new ATOM 0 HD2 ARG A 105 4.173 3.181 10.775 1.00 41.32 H new ATOM 0 HD3 ARG A 105 5.675 2.373 10.370 1.00 41.32 H new ATOM 0 HE ARG A 105 5.309 4.781 8.797 1.00 71.44 H new ATOM 0 HH11 ARG A 105 6.441 3.637 11.973 1.00 32.32 H new ATOM 0 HH12 ARG A 105 7.406 5.091 12.247 1.00 32.32 H new ATOM 0 HH21 ARG A 105 6.395 6.646 9.256 1.00 62.54 H new ATOM 0 HH22 ARG A 105 7.377 6.782 10.719 1.00 62.54 H new ATOM 1801 N LYS A 106 8.435 1.767 6.807 1.00 21.44 N ATOM 1802 CA LYS A 106 9.488 0.936 6.207 1.00 71.41 C ATOM 1803 C LYS A 106 9.717 -0.299 7.069 1.00 4.24 C ATOM 1804 O LYS A 106 9.769 -0.191 8.295 1.00 55.32 O ATOM 1805 CB LYS A 106 10.834 1.698 6.080 1.00 44.04 C ATOM 1806 CG LYS A 106 11.988 0.855 5.448 1.00 43.25 C ATOM 1807 CD LYS A 106 13.392 1.414 5.748 1.00 44.42 C ATOM 1808 CE LYS A 106 13.622 2.815 5.177 1.00 21.31 C ATOM 1809 NZ LYS A 106 14.850 3.427 5.724 1.00 60.02 N ATOM 0 H LYS A 106 8.684 2.148 7.720 1.00 21.44 H new ATOM 0 HA LYS A 106 9.151 0.661 5.208 1.00 71.41 H new ATOM 0 HB2 LYS A 106 10.678 2.591 5.475 1.00 44.04 H new ATOM 0 HB3 LYS A 106 11.144 2.034 7.070 1.00 44.04 H new ATOM 0 HG2 LYS A 106 11.926 -0.168 5.820 1.00 43.25 H new ATOM 0 HG3 LYS A 106 11.846 0.811 4.368 1.00 43.25 H new ATOM 0 HD2 LYS A 106 13.542 1.440 6.827 1.00 44.42 H new ATOM 0 HD3 LYS A 106 14.140 0.735 5.339 1.00 44.42 H new ATOM 0 HE2 LYS A 106 13.695 2.759 4.091 1.00 21.31 H new ATOM 0 HE3 LYS A 106 12.765 3.448 5.407 1.00 21.31 H new ATOM 0 HZ1 LYS A 106 14.808 4.459 5.601 1.00 60.02 H new ATOM 0 HZ2 LYS A 106 14.929 3.202 6.736 1.00 60.02 H new ATOM 0 HZ3 LYS A 106 15.679 3.052 5.220 1.00 60.02 H new ATOM 1823 N VAL A 107 9.887 -1.457 6.412 1.00 64.21 N ATOM 1824 CA VAL A 107 10.285 -2.725 7.051 1.00 1.10 C ATOM 1825 C VAL A 107 11.220 -3.497 6.091 1.00 1.14 C ATOM 1826 O VAL A 107 11.538 -3.016 4.998 1.00 3.51 O ATOM 1827 CB VAL A 107 9.042 -3.625 7.450 1.00 4.14 C ATOM 1828 CG1 VAL A 107 8.179 -2.970 8.548 1.00 31.03 C ATOM 1829 CG2 VAL A 107 8.180 -3.989 6.222 1.00 41.43 C ATOM 0 H VAL A 107 9.750 -1.542 5.405 1.00 64.21 H new ATOM 0 HA VAL A 107 10.804 -2.486 7.979 1.00 1.10 H new ATOM 0 HB VAL A 107 9.450 -4.549 7.860 1.00 4.14 H new ATOM 0 HG11 VAL A 107 7.340 -3.622 8.789 1.00 31.03 H new ATOM 0 HG12 VAL A 107 8.784 -2.813 9.441 1.00 31.03 H new ATOM 0 HG13 VAL A 107 7.803 -2.011 8.191 1.00 31.03 H new ATOM 0 HG21 VAL A 107 7.339 -4.606 6.538 1.00 41.43 H new ATOM 0 HG22 VAL A 107 7.806 -3.077 5.756 1.00 41.43 H new ATOM 0 HG23 VAL A 107 8.785 -4.541 5.503 1.00 41.43 H new ATOM 1839 N THR A 108 11.645 -4.692 6.507 1.00 73.50 N ATOM 1840 CA THR A 108 12.521 -5.564 5.706 1.00 13.11 C ATOM 1841 C THR A 108 11.983 -6.997 5.725 1.00 23.54 C ATOM 1842 O THR A 108 11.818 -7.629 4.674 1.00 4.14 O ATOM 1843 CB THR A 108 14.001 -5.504 6.224 1.00 65.01 C ATOM 1844 OG1 THR A 108 14.530 -4.186 6.006 1.00 20.02 O ATOM 1845 CG2 THR A 108 14.922 -6.531 5.539 1.00 75.20 C ATOM 0 H THR A 108 11.393 -5.088 7.412 1.00 73.50 H new ATOM 0 HA THR A 108 12.525 -5.208 4.676 1.00 13.11 H new ATOM 0 HB THR A 108 13.975 -5.747 7.286 1.00 65.01 H new ATOM 0 HG1 THR A 108 15.454 -4.147 6.331 1.00 20.02 H new ATOM 0 HG21 THR A 108 15.931 -6.439 5.940 1.00 75.20 H new ATOM 0 HG22 THR A 108 14.547 -7.537 5.726 1.00 75.20 H new ATOM 0 HG23 THR A 108 14.940 -6.344 4.465 1.00 75.20 H new ATOM 1853 N ASP A 109 11.663 -7.480 6.933 1.00 65.15 N ATOM 1854 CA ASP A 109 11.286 -8.881 7.164 1.00 35.55 C ATOM 1855 C ASP A 109 9.790 -9.115 6.881 1.00 71.44 C ATOM 1856 O ASP A 109 8.973 -8.178 6.940 1.00 63.10 O ATOM 1857 CB ASP A 109 11.642 -9.291 8.618 1.00 50.12 C ATOM 1858 CG ASP A 109 11.686 -10.817 8.821 1.00 74.55 C ATOM 1859 OD1 ASP A 109 12.764 -11.421 8.633 1.00 44.24 O ATOM 1860 OD2 ASP A 109 10.647 -11.424 9.145 1.00 24.30 O ATOM 0 H ASP A 109 11.658 -6.910 7.779 1.00 65.15 H new ATOM 0 HA ASP A 109 11.850 -9.506 6.471 1.00 35.55 H new ATOM 0 HB2 ASP A 109 12.611 -8.867 8.882 1.00 50.12 H new ATOM 0 HB3 ASP A 109 10.909 -8.861 9.300 1.00 50.12 H new ATOM 1865 N ASP A 110 9.474 -10.388 6.579 1.00 33.10 N ATOM 1866 CA ASP A 110 8.111 -10.896 6.348 1.00 55.34 C ATOM 1867 C ASP A 110 7.164 -10.512 7.511 1.00 3.12 C ATOM 1868 O ASP A 110 6.103 -9.910 7.281 1.00 64.53 O ATOM 1869 CB ASP A 110 8.179 -12.445 6.188 1.00 21.54 C ATOM 1870 CG ASP A 110 6.817 -13.127 5.903 1.00 40.52 C ATOM 1871 OD1 ASP A 110 5.956 -13.188 6.808 1.00 55.43 O ATOM 1872 OD2 ASP A 110 6.601 -13.633 4.783 1.00 32.32 O ATOM 0 H ASP A 110 10.184 -11.114 6.486 1.00 33.10 H new ATOM 0 HA ASP A 110 7.709 -10.445 5.441 1.00 55.34 H new ATOM 0 HB2 ASP A 110 8.866 -12.683 5.376 1.00 21.54 H new ATOM 0 HB3 ASP A 110 8.601 -12.872 7.098 1.00 21.54 H new ATOM 1877 N GLU A 111 7.574 -10.861 8.756 1.00 4.31 N ATOM 1878 CA GLU A 111 6.727 -10.692 9.957 1.00 23.04 C ATOM 1879 C GLU A 111 6.410 -9.205 10.208 1.00 60.15 C ATOM 1880 O GLU A 111 5.277 -8.868 10.560 1.00 15.01 O ATOM 1881 CB GLU A 111 7.378 -11.331 11.226 1.00 74.23 C ATOM 1882 CG GLU A 111 8.671 -10.648 11.730 1.00 42.33 C ATOM 1883 CD GLU A 111 9.176 -11.227 13.066 1.00 4.11 C ATOM 1884 OE1 GLU A 111 9.870 -12.259 13.052 1.00 11.14 O ATOM 1885 OE2 GLU A 111 8.845 -10.672 14.138 1.00 74.23 O ATOM 0 H GLU A 111 8.491 -11.263 8.952 1.00 4.31 H new ATOM 0 HA GLU A 111 5.793 -11.219 9.763 1.00 23.04 H new ATOM 0 HB2 GLU A 111 6.645 -11.321 12.033 1.00 74.23 H new ATOM 0 HB3 GLU A 111 7.601 -12.376 11.011 1.00 74.23 H new ATOM 0 HG2 GLU A 111 9.450 -10.756 10.976 1.00 42.33 H new ATOM 0 HG3 GLU A 111 8.489 -9.580 11.849 1.00 42.33 H new ATOM 1892 N GLU A 112 7.416 -8.328 9.973 1.00 11.42 N ATOM 1893 CA GLU A 112 7.317 -6.878 10.249 1.00 62.11 C ATOM 1894 C GLU A 112 6.240 -6.216 9.370 1.00 41.31 C ATOM 1895 O GLU A 112 5.529 -5.306 9.819 1.00 42.23 O ATOM 1896 CB GLU A 112 8.678 -6.180 10.022 1.00 35.11 C ATOM 1897 CG GLU A 112 9.846 -6.696 10.878 1.00 44.41 C ATOM 1898 CD GLU A 112 11.130 -5.868 10.655 1.00 13.24 C ATOM 1899 OE1 GLU A 112 11.712 -5.940 9.547 1.00 11.32 O ATOM 1900 OE2 GLU A 112 11.550 -5.124 11.567 1.00 72.33 O ATOM 0 H GLU A 112 8.318 -8.608 9.587 1.00 11.42 H new ATOM 0 HA GLU A 112 7.031 -6.764 11.295 1.00 62.11 H new ATOM 0 HB2 GLU A 112 8.948 -6.285 8.971 1.00 35.11 H new ATOM 0 HB3 GLU A 112 8.555 -5.114 10.214 1.00 35.11 H new ATOM 0 HG2 GLU A 112 9.568 -6.660 11.931 1.00 44.41 H new ATOM 0 HG3 GLU A 112 10.041 -7.741 10.636 1.00 44.41 H new ATOM 1907 N ALA A 113 6.138 -6.690 8.113 1.00 64.43 N ATOM 1908 CA ALA A 113 5.137 -6.205 7.146 1.00 61.23 C ATOM 1909 C ALA A 113 3.714 -6.564 7.611 1.00 51.02 C ATOM 1910 O ALA A 113 2.829 -5.703 7.629 1.00 51.51 O ATOM 1911 CB ALA A 113 5.422 -6.777 5.748 1.00 73.42 C ATOM 0 H ALA A 113 6.747 -7.419 7.741 1.00 64.43 H new ATOM 0 HA ALA A 113 5.206 -5.119 7.089 1.00 61.23 H new ATOM 0 HB1 ALA A 113 4.674 -6.410 5.045 1.00 73.42 H new ATOM 0 HB2 ALA A 113 6.413 -6.462 5.421 1.00 73.42 H new ATOM 0 HB3 ALA A 113 5.381 -7.866 5.785 1.00 73.42 H new ATOM 1917 N LEU A 114 3.531 -7.830 8.047 1.00 53.03 N ATOM 1918 CA LEU A 114 2.224 -8.348 8.512 1.00 13.22 C ATOM 1919 C LEU A 114 1.737 -7.598 9.771 1.00 14.35 C ATOM 1920 O LEU A 114 0.524 -7.429 9.967 1.00 32.22 O ATOM 1921 CB LEU A 114 2.323 -9.871 8.806 1.00 73.23 C ATOM 1922 CG LEU A 114 2.642 -10.794 7.587 1.00 42.21 C ATOM 1923 CD1 LEU A 114 2.849 -12.258 8.030 1.00 64.30 C ATOM 1924 CD2 LEU A 114 1.539 -10.698 6.513 1.00 70.25 C ATOM 0 H LEU A 114 4.282 -8.520 8.087 1.00 53.03 H new ATOM 0 HA LEU A 114 1.497 -8.182 7.717 1.00 13.22 H new ATOM 0 HB2 LEU A 114 3.094 -10.024 9.561 1.00 73.23 H new ATOM 0 HB3 LEU A 114 1.379 -10.197 9.243 1.00 73.23 H new ATOM 0 HG LEU A 114 3.575 -10.443 7.146 1.00 42.21 H new ATOM 0 HD11 LEU A 114 3.069 -12.874 7.158 1.00 64.30 H new ATOM 0 HD12 LEU A 114 3.681 -12.312 8.732 1.00 64.30 H new ATOM 0 HD13 LEU A 114 1.943 -12.624 8.513 1.00 64.30 H new ATOM 0 HD21 LEU A 114 1.788 -11.351 5.676 1.00 70.25 H new ATOM 0 HD22 LEU A 114 0.585 -11.006 6.942 1.00 70.25 H new ATOM 0 HD23 LEU A 114 1.463 -9.669 6.160 1.00 70.25 H new ATOM 1936 N LYS A 115 2.698 -7.182 10.628 1.00 65.01 N ATOM 1937 CA LYS A 115 2.416 -6.407 11.857 1.00 35.50 C ATOM 1938 C LYS A 115 1.727 -5.081 11.509 1.00 62.42 C ATOM 1939 O LYS A 115 0.657 -4.777 12.033 1.00 22.02 O ATOM 1940 CB LYS A 115 3.723 -6.112 12.643 1.00 55.04 C ATOM 1941 CG LYS A 115 4.451 -7.361 13.179 1.00 74.13 C ATOM 1942 CD LYS A 115 5.808 -7.014 13.835 1.00 51.20 C ATOM 1943 CE LYS A 115 6.612 -8.256 14.255 1.00 12.31 C ATOM 1944 NZ LYS A 115 5.901 -9.081 15.267 1.00 1.55 N ATOM 0 H LYS A 115 3.690 -7.374 10.486 1.00 65.01 H new ATOM 0 HA LYS A 115 1.755 -7.008 12.482 1.00 35.50 H new ATOM 0 HB2 LYS A 115 4.404 -5.562 11.994 1.00 55.04 H new ATOM 0 HB3 LYS A 115 3.486 -5.459 13.483 1.00 55.04 H new ATOM 0 HG2 LYS A 115 3.816 -7.864 13.908 1.00 74.13 H new ATOM 0 HG3 LYS A 115 4.614 -8.062 12.361 1.00 74.13 H new ATOM 0 HD2 LYS A 115 6.402 -6.424 13.137 1.00 51.20 H new ATOM 0 HD3 LYS A 115 5.632 -6.390 14.711 1.00 51.20 H new ATOM 0 HE2 LYS A 115 6.819 -8.865 13.375 1.00 12.31 H new ATOM 0 HE3 LYS A 115 7.575 -7.942 14.659 1.00 12.31 H new ATOM 0 HZ1 LYS A 115 6.485 -9.905 15.516 1.00 1.55 H new ATOM 0 HZ2 LYS A 115 5.726 -8.511 16.119 1.00 1.55 H new ATOM 0 HZ3 LYS A 115 4.994 -9.405 14.875 1.00 1.55 H new ATOM 1958 N ILE A 116 2.350 -4.329 10.583 1.00 21.04 N ATOM 1959 CA ILE A 116 1.933 -2.957 10.232 1.00 62.01 C ATOM 1960 C ILE A 116 0.647 -2.943 9.367 1.00 44.04 C ATOM 1961 O ILE A 116 -0.086 -1.944 9.360 1.00 34.23 O ATOM 1962 CB ILE A 116 3.115 -2.163 9.564 1.00 43.05 C ATOM 1963 CG1 ILE A 116 4.355 -2.162 10.520 1.00 74.43 C ATOM 1964 CG2 ILE A 116 2.699 -0.717 9.193 1.00 42.13 C ATOM 1965 CD1 ILE A 116 5.521 -1.297 10.077 1.00 34.13 C ATOM 0 H ILE A 116 3.159 -4.656 10.055 1.00 21.04 H new ATOM 0 HA ILE A 116 1.679 -2.441 11.158 1.00 62.01 H new ATOM 0 HB ILE A 116 3.382 -2.664 8.634 1.00 43.05 H new ATOM 0 HG12 ILE A 116 4.031 -1.828 11.506 1.00 74.43 H new ATOM 0 HG13 ILE A 116 4.707 -3.188 10.631 1.00 74.43 H new ATOM 0 HG21 ILE A 116 3.543 -0.202 8.734 1.00 42.13 H new ATOM 0 HG22 ILE A 116 1.867 -0.747 8.490 1.00 42.13 H new ATOM 0 HG23 ILE A 116 2.394 -0.184 10.093 1.00 42.13 H new ATOM 0 HD11 ILE A 116 6.326 -1.368 10.809 1.00 34.13 H new ATOM 0 HD12 ILE A 116 5.881 -1.641 9.107 1.00 34.13 H new ATOM 0 HD13 ILE A 116 5.195 -0.260 9.996 1.00 34.13 H new ATOM 1977 N VAL A 117 0.378 -4.055 8.642 1.00 30.10 N ATOM 1978 CA VAL A 117 -0.943 -4.296 8.006 1.00 74.03 C ATOM 1979 C VAL A 117 -2.065 -4.169 9.070 1.00 3.34 C ATOM 1980 O VAL A 117 -3.075 -3.499 8.845 1.00 75.02 O ATOM 1981 CB VAL A 117 -1.002 -5.713 7.288 1.00 33.51 C ATOM 1982 CG1 VAL A 117 -2.436 -6.077 6.808 1.00 14.12 C ATOM 1983 CG2 VAL A 117 -0.009 -5.765 6.094 1.00 24.45 C ATOM 0 H VAL A 117 1.056 -4.800 8.482 1.00 30.10 H new ATOM 0 HA VAL A 117 -1.093 -3.541 7.234 1.00 74.03 H new ATOM 0 HB VAL A 117 -0.710 -6.455 8.031 1.00 33.51 H new ATOM 0 HG11 VAL A 117 -2.421 -7.054 6.325 1.00 14.12 H new ATOM 0 HG12 VAL A 117 -3.110 -6.106 7.664 1.00 14.12 H new ATOM 0 HG13 VAL A 117 -2.784 -5.326 6.098 1.00 14.12 H new ATOM 0 HG21 VAL A 117 -0.065 -6.743 5.616 1.00 24.45 H new ATOM 0 HG22 VAL A 117 -0.269 -4.992 5.370 1.00 24.45 H new ATOM 0 HG23 VAL A 117 1.005 -5.596 6.456 1.00 24.45 H new ATOM 1993 N ARG A 118 -1.823 -4.762 10.255 1.00 23.15 N ATOM 1994 CA ARG A 118 -2.764 -4.704 11.392 1.00 35.11 C ATOM 1995 C ARG A 118 -2.710 -3.335 12.104 1.00 43.25 C ATOM 1996 O ARG A 118 -3.742 -2.836 12.565 1.00 4.02 O ATOM 1997 CB ARG A 118 -2.483 -5.832 12.414 1.00 2.25 C ATOM 1998 CG ARG A 118 -2.653 -7.268 11.868 1.00 40.44 C ATOM 1999 CD ARG A 118 -2.599 -8.319 12.993 1.00 71.42 C ATOM 2000 NE ARG A 118 -3.663 -8.083 14.001 1.00 0.24 N ATOM 2001 CZ ARG A 118 -3.510 -8.104 15.340 1.00 31.13 C ATOM 2002 NH1 ARG A 118 -2.327 -8.347 15.897 1.00 33.33 N ATOM 2003 NH2 ARG A 118 -4.554 -7.855 16.113 1.00 4.23 N ATOM 0 H ARG A 118 -0.974 -5.292 10.451 1.00 23.15 H new ATOM 0 HA ARG A 118 -3.764 -4.843 10.980 1.00 35.11 H new ATOM 0 HB2 ARG A 118 -1.464 -5.719 12.785 1.00 2.25 H new ATOM 0 HB3 ARG A 118 -3.149 -5.703 13.267 1.00 2.25 H new ATOM 0 HG2 ARG A 118 -3.605 -7.347 11.343 1.00 40.44 H new ATOM 0 HG3 ARG A 118 -1.869 -7.475 11.140 1.00 40.44 H new ATOM 0 HD2 ARG A 118 -2.712 -9.316 12.568 1.00 71.42 H new ATOM 0 HD3 ARG A 118 -1.623 -8.288 13.477 1.00 71.42 H new ATOM 0 HE ARG A 118 -4.599 -7.886 13.647 1.00 0.24 H new ATOM 0 HH11 ARG A 118 -1.513 -8.522 15.308 1.00 33.33 H new ATOM 0 HH12 ARG A 118 -2.234 -8.358 16.913 1.00 33.33 H new ATOM 0 HH21 ARG A 118 -5.461 -7.650 15.694 1.00 4.23 H new ATOM 0 HH22 ARG A 118 -4.452 -7.868 17.128 1.00 4.23 H new ATOM 2017 N GLU A 119 -1.499 -2.757 12.231 1.00 5.15 N ATOM 2018 CA GLU A 119 -1.303 -1.439 12.880 1.00 43.44 C ATOM 2019 C GLU A 119 -1.998 -0.306 12.110 1.00 3.01 C ATOM 2020 O GLU A 119 -2.335 0.709 12.708 1.00 51.42 O ATOM 2021 CB GLU A 119 0.203 -1.126 13.079 1.00 61.13 C ATOM 2022 CG GLU A 119 0.957 -2.148 13.961 1.00 72.50 C ATOM 2023 CD GLU A 119 0.339 -2.337 15.365 1.00 52.24 C ATOM 2024 OE1 GLU A 119 0.656 -1.543 16.277 1.00 73.22 O ATOM 2025 OE2 GLU A 119 -0.469 -3.277 15.558 1.00 61.31 O ATOM 0 H GLU A 119 -0.636 -3.182 11.892 1.00 5.15 H new ATOM 0 HA GLU A 119 -1.771 -1.500 13.863 1.00 43.44 H new ATOM 0 HB2 GLU A 119 0.685 -1.082 12.102 1.00 61.13 H new ATOM 0 HB3 GLU A 119 0.300 -0.137 13.527 1.00 61.13 H new ATOM 0 HG2 GLU A 119 0.976 -3.111 13.450 1.00 72.50 H new ATOM 0 HG3 GLU A 119 1.992 -1.825 14.071 1.00 72.50 H new ATOM 2032 N PHE A 120 -2.199 -0.484 10.794 1.00 23.40 N ATOM 2033 CA PHE A 120 -3.045 0.414 9.985 1.00 2.24 C ATOM 2034 C PHE A 120 -4.466 0.488 10.565 1.00 65.14 C ATOM 2035 O PHE A 120 -5.005 1.586 10.765 1.00 63.20 O ATOM 2036 CB PHE A 120 -3.099 -0.084 8.513 1.00 2.22 C ATOM 2037 CG PHE A 120 -4.154 0.615 7.631 1.00 73.54 C ATOM 2038 CD1 PHE A 120 -3.931 1.889 7.124 1.00 14.03 C ATOM 2039 CD2 PHE A 120 -5.373 -0.004 7.329 1.00 70.32 C ATOM 2040 CE1 PHE A 120 -4.883 2.527 6.352 1.00 54.03 C ATOM 2041 CE2 PHE A 120 -6.323 0.637 6.561 1.00 14.42 C ATOM 2042 CZ PHE A 120 -6.078 1.899 6.069 1.00 55.42 C ATOM 0 H PHE A 120 -1.783 -1.249 10.262 1.00 23.40 H new ATOM 0 HA PHE A 120 -2.608 1.412 10.009 1.00 2.24 H new ATOM 0 HB2 PHE A 120 -2.117 0.056 8.061 1.00 2.22 H new ATOM 0 HB3 PHE A 120 -3.299 -1.155 8.514 1.00 2.22 H new ATOM 0 HD1 PHE A 120 -2.998 2.389 7.337 1.00 14.03 H new ATOM 0 HD2 PHE A 120 -5.572 -0.997 7.703 1.00 70.32 H new ATOM 0 HE1 PHE A 120 -4.691 3.519 5.970 1.00 54.03 H new ATOM 0 HE2 PHE A 120 -7.261 0.147 6.345 1.00 14.42 H new ATOM 0 HZ PHE A 120 -6.820 2.397 5.462 1.00 55.42 H new ATOM 2052 N MET A 121 -5.020 -0.706 10.863 1.00 12.12 N ATOM 2053 CA MET A 121 -6.441 -0.900 11.225 1.00 10.00 C ATOM 2054 C MET A 121 -6.851 -0.042 12.434 1.00 73.02 C ATOM 2055 O MET A 121 -8.011 0.359 12.545 1.00 24.12 O ATOM 2056 CB MET A 121 -6.738 -2.404 11.501 1.00 73.05 C ATOM 2057 CG MET A 121 -6.237 -3.362 10.398 1.00 13.51 C ATOM 2058 SD MET A 121 -6.673 -2.803 8.741 1.00 35.21 S ATOM 2059 CE MET A 121 -5.987 -4.084 7.687 1.00 10.04 C ATOM 0 H MET A 121 -4.486 -1.575 10.859 1.00 12.12 H new ATOM 0 HA MET A 121 -7.038 -0.572 10.374 1.00 10.00 H new ATOM 0 HB2 MET A 121 -6.277 -2.686 12.448 1.00 73.05 H new ATOM 0 HB3 MET A 121 -7.814 -2.535 11.619 1.00 73.05 H new ATOM 0 HG2 MET A 121 -5.154 -3.459 10.471 1.00 13.51 H new ATOM 0 HG3 MET A 121 -6.658 -4.354 10.565 1.00 13.51 H new ATOM 0 HE1 MET A 121 -5.468 -3.624 6.846 1.00 10.04 H new ATOM 0 HE2 MET A 121 -5.285 -4.689 8.260 1.00 10.04 H new ATOM 0 HE3 MET A 121 -6.792 -4.718 7.314 1.00 10.04 H new ATOM 2069 N GLN A 122 -5.881 0.237 13.330 1.00 65.34 N ATOM 2070 CA GLN A 122 -6.078 1.154 14.472 1.00 74.34 C ATOM 2071 C GLN A 122 -5.517 2.574 14.172 1.00 1.43 C ATOM 2072 O GLN A 122 -6.265 3.546 14.156 1.00 41.42 O ATOM 2073 CB GLN A 122 -5.446 0.567 15.773 1.00 44.12 C ATOM 2074 CG GLN A 122 -3.952 0.163 15.671 1.00 4.23 C ATOM 2075 CD GLN A 122 -3.293 -0.082 17.031 1.00 72.05 C ATOM 2076 OE1 GLN A 122 -2.749 0.836 17.645 1.00 61.45 O ATOM 2077 NE2 GLN A 122 -3.339 -1.310 17.512 1.00 22.51 N ATOM 0 H GLN A 122 -4.945 -0.165 13.283 1.00 65.34 H new ATOM 0 HA GLN A 122 -7.152 1.254 14.630 1.00 74.34 H new ATOM 0 HB2 GLN A 122 -5.551 1.303 16.570 1.00 44.12 H new ATOM 0 HB3 GLN A 122 -6.021 -0.310 16.071 1.00 44.12 H new ATOM 0 HG2 GLN A 122 -3.868 -0.741 15.067 1.00 4.23 H new ATOM 0 HG3 GLN A 122 -3.406 0.948 15.147 1.00 4.23 H new ATOM 0 HE21 GLN A 122 -3.797 -2.050 16.979 1.00 22.51 H new ATOM 0 HE22 GLN A 122 -2.916 -1.520 18.416 1.00 22.51 H new