USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 864 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 90 SER OG : rot 180:sc= -0.0471 USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0.0873 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0098 (180deg=-0.345) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= -0.0296 (180deg=-0.242) USER MOD Single : A 4 ASN : amide:sc= -0.0285 X(o=-0.028,f=0) USER MOD Single : A 8 THR OG1 : rot -55:sc= 1 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.284 K(o=-0.28,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.39 K(o=-1.4,f=-2) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.216 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc=-0.00035 (180deg=-0.0779) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0746 X(o=-0.075,f=-0.024) USER MOD Single : A 33 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.6) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.53) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.274 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.568 USER MOD Single : A 72 GLN : amide:sc= -0.806 K(o=-0.81,f=-4.7!) USER MOD Single : A 73 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.0031) USER MOD Single : A 78 MET CE :methyl -153:sc= -0.186 (180deg=-0.987) USER MOD Single : A 80 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= -2.61 K(o=-2.6,f=-6.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 86:sc= 0.189 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -24:sc= 0.185 USER MOD Single : A 103 TYR OH : rot -129:sc= -0.237 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.083 3.338 -4.955 1.00 50.32 N ATOM 2 CA MET A 1 0.317 3.432 -5.353 1.00 71.01 C ATOM 3 C MET A 1 0.902 2.047 -5.613 1.00 0.43 C ATOM 4 O MET A 1 1.270 1.720 -6.741 1.00 1.42 O ATOM 5 CB MET A 1 1.130 4.148 -4.272 1.00 74.44 C ATOM 6 CG MET A 1 1.899 5.353 -4.789 1.00 21.53 C ATOM 7 SD MET A 1 0.876 6.832 -4.906 1.00 15.33 S ATOM 8 CE MET A 1 0.588 6.906 -6.672 1.00 12.20 C ATOM 0 H1 MET A 1 -1.460 4.292 -4.783 1.00 50.32 H new ATOM 0 H2 MET A 1 -1.629 2.881 -5.713 1.00 50.32 H new ATOM 0 H3 MET A 1 -1.159 2.774 -4.085 1.00 50.32 H new ATOM 0 HA MET A 1 0.369 4.008 -6.277 1.00 71.01 H new ATOM 0 HB2 MET A 1 0.458 4.470 -3.477 1.00 74.44 H new ATOM 0 HB3 MET A 1 1.832 3.442 -3.829 1.00 74.44 H new ATOM 0 HG2 MET A 1 2.743 5.551 -4.128 1.00 21.53 H new ATOM 0 HG3 MET A 1 2.311 5.122 -5.772 1.00 21.53 H new ATOM 0 HE1 MET A 1 0.222 7.897 -6.940 1.00 12.20 H new ATOM 0 HE2 MET A 1 1.520 6.708 -7.201 1.00 12.20 H new ATOM 0 HE3 MET A 1 -0.154 6.158 -6.951 1.00 12.20 H new ATOM 18 N SER A 2 0.985 1.238 -4.561 1.00 42.34 N ATOM 19 CA SER A 2 1.530 -0.110 -4.675 1.00 53.44 C ATOM 20 C SER A 2 0.551 -1.140 -4.119 1.00 41.45 C ATOM 21 O SER A 2 -0.600 -0.821 -3.818 1.00 64.43 O ATOM 22 CB SER A 2 2.865 -0.207 -3.936 1.00 23.24 C ATOM 23 OG SER A 2 3.272 1.060 -3.449 1.00 24.22 O ATOM 0 H SER A 2 0.682 1.493 -3.621 1.00 42.34 H new ATOM 0 HA SER A 2 1.692 -0.322 -5.732 1.00 53.44 H new ATOM 0 HB2 SER A 2 2.774 -0.907 -3.106 1.00 23.24 H new ATOM 0 HB3 SER A 2 3.627 -0.604 -4.606 1.00 23.24 H new ATOM 0 HG SER A 2 4.127 0.970 -2.979 1.00 24.22 H new ATOM 29 N LYS A 3 1.017 -2.377 -3.986 1.00 13.21 N ATOM 30 CA LYS A 3 0.185 -3.456 -3.465 1.00 44.33 C ATOM 31 C LYS A 3 1.039 -4.654 -3.062 1.00 12.24 C ATOM 32 O LYS A 3 2.264 -4.617 -3.163 1.00 3.23 O ATOM 33 CB LYS A 3 -0.848 -3.881 -4.511 1.00 63.21 C ATOM 34 CG LYS A 3 -0.235 -4.303 -5.835 1.00 44.33 C ATOM 35 CD LYS A 3 -0.785 -3.483 -6.990 1.00 62.15 C ATOM 36 CE LYS A 3 0.182 -2.384 -7.405 1.00 20.43 C ATOM 37 NZ LYS A 3 1.414 -2.937 -8.032 1.00 23.43 N ATOM 0 H LYS A 3 1.966 -2.658 -4.232 1.00 13.21 H new ATOM 0 HA LYS A 3 -0.334 -3.087 -2.580 1.00 44.33 H new ATOM 0 HB2 LYS A 3 -1.437 -4.707 -4.113 1.00 63.21 H new ATOM 0 HB3 LYS A 3 -1.537 -3.054 -4.686 1.00 63.21 H new ATOM 0 HG2 LYS A 3 0.848 -4.188 -5.789 1.00 44.33 H new ATOM 0 HG3 LYS A 3 -0.436 -5.360 -6.010 1.00 44.33 H new ATOM 0 HD2 LYS A 3 -0.981 -4.136 -7.840 1.00 62.15 H new ATOM 0 HD3 LYS A 3 -1.738 -3.040 -6.702 1.00 62.15 H new ATOM 0 HE2 LYS A 3 -0.312 -1.711 -8.106 1.00 20.43 H new ATOM 0 HE3 LYS A 3 0.454 -1.791 -6.532 1.00 20.43 H new ATOM 0 HZ1 LYS A 3 1.852 -2.212 -8.635 1.00 23.43 H new ATOM 0 HZ2 LYS A 3 2.084 -3.221 -7.289 1.00 23.43 H new ATOM 0 HZ3 LYS A 3 1.167 -3.765 -8.610 1.00 23.43 H new ATOM 51 N ASN A 4 0.382 -5.715 -2.605 1.00 62.42 N ATOM 52 CA ASN A 4 1.081 -6.925 -2.187 1.00 64.12 C ATOM 53 C ASN A 4 1.989 -7.441 -3.300 1.00 2.43 C ATOM 54 O ASN A 4 1.597 -7.479 -4.466 1.00 23.05 O ATOM 55 CB ASN A 4 0.077 -8.009 -1.790 1.00 54.53 C ATOM 56 CG ASN A 4 -0.267 -7.965 -0.314 1.00 34.10 C ATOM 57 OD1 ASN A 4 -1.403 -7.674 0.062 1.00 40.22 O ATOM 58 ND2 ASN A 4 0.715 -8.255 0.531 1.00 30.41 N ATOM 0 H ASN A 4 -0.633 -5.762 -2.515 1.00 62.42 H new ATOM 0 HA ASN A 4 1.698 -6.677 -1.323 1.00 64.12 H new ATOM 0 HB2 ASN A 4 -0.834 -7.889 -2.376 1.00 54.53 H new ATOM 0 HB3 ASN A 4 0.488 -8.988 -2.036 1.00 54.53 H new ATOM 0 HD21 ASN A 4 0.543 -8.242 1.536 1.00 30.41 H new ATOM 0 HD22 ASN A 4 1.641 -8.491 0.175 1.00 30.41 H new ATOM 65 N GLU A 5 3.203 -7.836 -2.930 1.00 23.11 N ATOM 66 CA GLU A 5 4.166 -8.349 -3.897 1.00 64.12 C ATOM 67 C GLU A 5 3.591 -9.540 -4.658 1.00 64.32 C ATOM 68 O GLU A 5 3.730 -9.637 -5.878 1.00 2.23 O ATOM 69 CB GLU A 5 5.462 -8.757 -3.193 1.00 20.32 C ATOM 70 CG GLU A 5 5.251 -9.738 -2.052 1.00 25.05 C ATOM 71 CD GLU A 5 6.431 -9.787 -1.099 1.00 55.23 C ATOM 72 OE1 GLU A 5 7.580 -9.859 -1.583 1.00 31.45 O ATOM 73 OE2 GLU A 5 6.204 -9.753 0.128 1.00 4.22 O ATOM 0 H GLU A 5 3.543 -7.811 -1.969 1.00 23.11 H new ATOM 0 HA GLU A 5 4.384 -7.554 -4.611 1.00 64.12 H new ATOM 0 HB2 GLU A 5 6.138 -9.202 -3.923 1.00 20.32 H new ATOM 0 HB3 GLU A 5 5.953 -7.864 -2.807 1.00 20.32 H new ATOM 0 HG2 GLU A 5 4.354 -9.459 -1.499 1.00 25.05 H new ATOM 0 HG3 GLU A 5 5.077 -10.733 -2.461 1.00 25.05 H new ATOM 80 N ARG A 6 2.946 -10.445 -3.929 1.00 41.03 N ATOM 81 CA ARG A 6 2.351 -11.631 -4.534 1.00 45.34 C ATOM 82 C ARG A 6 1.535 -12.412 -3.510 1.00 34.43 C ATOM 83 O ARG A 6 1.445 -12.024 -2.345 1.00 43.50 O ATOM 84 CB ARG A 6 3.440 -12.528 -5.126 1.00 42.32 C ATOM 85 CG ARG A 6 3.074 -13.120 -6.477 1.00 75.11 C ATOM 86 CD ARG A 6 3.727 -14.477 -6.686 1.00 73.31 C ATOM 87 NE ARG A 6 4.138 -14.679 -8.073 1.00 21.12 N ATOM 88 CZ ARG A 6 5.049 -15.571 -8.447 1.00 11.32 C ATOM 89 NH1 ARG A 6 5.640 -16.339 -7.542 1.00 72.13 N ATOM 90 NH2 ARG A 6 5.370 -15.695 -9.728 1.00 71.53 N ATOM 0 H ARG A 6 2.822 -10.380 -2.919 1.00 41.03 H new ATOM 0 HA ARG A 6 1.684 -11.306 -5.332 1.00 45.34 H new ATOM 0 HB2 ARG A 6 4.359 -11.950 -5.229 1.00 42.32 H new ATOM 0 HB3 ARG A 6 3.650 -13.339 -4.428 1.00 42.32 H new ATOM 0 HG2 ARG A 6 1.991 -13.221 -6.550 1.00 75.11 H new ATOM 0 HG3 ARG A 6 3.385 -12.440 -7.270 1.00 75.11 H new ATOM 0 HD2 ARG A 6 4.596 -14.565 -6.034 1.00 73.31 H new ATOM 0 HD3 ARG A 6 3.030 -15.263 -6.396 1.00 73.31 H new ATOM 0 HE ARG A 6 3.702 -14.104 -8.794 1.00 21.12 H new ATOM 0 HH11 ARG A 6 5.396 -16.246 -6.556 1.00 72.13 H new ATOM 0 HH12 ARG A 6 6.339 -17.023 -7.832 1.00 72.13 H new ATOM 0 HH21 ARG A 6 4.917 -15.105 -10.427 1.00 71.53 H new ATOM 0 HH22 ARG A 6 6.069 -16.380 -10.015 1.00 71.53 H new ATOM 104 N ASP A 7 0.940 -13.515 -3.952 1.00 24.33 N ATOM 105 CA ASP A 7 0.131 -14.352 -3.073 1.00 62.24 C ATOM 106 C ASP A 7 -0.341 -15.607 -3.802 1.00 1.23 C ATOM 107 O ASP A 7 -1.521 -15.956 -3.759 1.00 52.25 O ATOM 108 CB ASP A 7 -1.073 -13.567 -2.552 1.00 41.50 C ATOM 109 CG ASP A 7 -1.559 -14.076 -1.209 1.00 51.33 C ATOM 110 OD1 ASP A 7 -0.810 -14.831 -0.554 1.00 74.13 O ATOM 111 OD2 ASP A 7 -2.688 -13.718 -0.813 1.00 22.00 O ATOM 0 H ASP A 7 1.003 -13.850 -4.913 1.00 24.33 H new ATOM 0 HA ASP A 7 0.750 -14.655 -2.229 1.00 62.24 H new ATOM 0 HB2 ASP A 7 -0.806 -12.514 -2.463 1.00 41.50 H new ATOM 0 HB3 ASP A 7 -1.885 -13.630 -3.276 1.00 41.50 H new ATOM 116 N THR A 8 0.589 -16.282 -4.471 1.00 54.41 N ATOM 117 CA THR A 8 0.268 -17.496 -5.211 1.00 12.33 C ATOM 118 C THR A 8 -1.098 -17.388 -5.879 1.00 13.15 C ATOM 119 O THR A 8 -1.891 -18.329 -5.847 1.00 53.20 O ATOM 120 CB THR A 8 0.282 -18.733 -4.293 1.00 14.20 C ATOM 121 OG1 THR A 8 -0.002 -19.911 -5.055 1.00 71.41 O ATOM 122 CG2 THR A 8 -0.739 -18.588 -3.174 1.00 70.23 C ATOM 0 H THR A 8 1.571 -16.008 -4.515 1.00 54.41 H new ATOM 0 HA THR A 8 1.035 -17.612 -5.977 1.00 12.33 H new ATOM 0 HB THR A 8 1.274 -18.818 -3.849 1.00 14.20 H new ATOM 0 HG1 THR A 8 -0.852 -19.797 -5.529 1.00 71.41 H new ATOM 0 HG21 THR A 8 -0.711 -19.473 -2.539 1.00 70.23 H new ATOM 0 HG22 THR A 8 -0.503 -17.706 -2.578 1.00 70.23 H new ATOM 0 HG23 THR A 8 -1.735 -18.480 -3.602 1.00 70.23 H new ATOM 130 N SER A 9 -1.367 -16.235 -6.483 1.00 61.13 N ATOM 131 CA SER A 9 -2.639 -16.003 -7.157 1.00 34.44 C ATOM 132 C SER A 9 -2.525 -14.855 -8.154 1.00 41.22 C ATOM 133 O SER A 9 -3.000 -14.951 -9.286 1.00 42.41 O ATOM 134 CB SER A 9 -3.734 -15.697 -6.133 1.00 31.44 C ATOM 135 OG SER A 9 -4.901 -15.201 -6.766 1.00 64.20 O ATOM 0 H SER A 9 -0.721 -15.447 -6.519 1.00 61.13 H new ATOM 0 HA SER A 9 -2.903 -16.909 -7.702 1.00 34.44 H new ATOM 0 HB2 SER A 9 -3.976 -16.601 -5.574 1.00 31.44 H new ATOM 0 HB3 SER A 9 -3.368 -14.965 -5.413 1.00 31.44 H new ATOM 0 HG SER A 9 -5.586 -15.015 -6.090 1.00 64.20 H new ATOM 141 N PHE A 10 -1.891 -13.768 -7.726 1.00 31.24 N ATOM 142 CA PHE A 10 -1.714 -12.599 -8.580 1.00 32.54 C ATOM 143 C PHE A 10 -0.248 -12.179 -8.629 1.00 13.55 C ATOM 144 O PHE A 10 0.372 -11.932 -7.595 1.00 64.44 O ATOM 145 CB PHE A 10 -2.573 -11.438 -8.075 1.00 75.23 C ATOM 146 CG PHE A 10 -2.216 -10.986 -6.689 1.00 5.34 C ATOM 147 CD1 PHE A 10 -2.716 -11.648 -5.579 1.00 4.11 C ATOM 148 CD2 PHE A 10 -1.379 -9.899 -6.495 1.00 4.34 C ATOM 149 CE1 PHE A 10 -2.388 -11.233 -4.302 1.00 14.12 C ATOM 150 CE2 PHE A 10 -1.048 -9.479 -5.220 1.00 25.42 C ATOM 151 CZ PHE A 10 -1.552 -10.148 -4.122 1.00 74.20 C ATOM 0 H PHE A 10 -1.491 -13.672 -6.793 1.00 31.24 H new ATOM 0 HA PHE A 10 -2.031 -12.864 -9.588 1.00 32.54 H new ATOM 0 HB2 PHE A 10 -2.471 -10.597 -8.760 1.00 75.23 H new ATOM 0 HB3 PHE A 10 -3.621 -11.738 -8.092 1.00 75.23 H new ATOM 0 HD1 PHE A 10 -3.369 -12.498 -5.713 1.00 4.11 H new ATOM 0 HD2 PHE A 10 -0.980 -9.373 -7.350 1.00 4.34 H new ATOM 0 HE1 PHE A 10 -2.785 -11.757 -3.445 1.00 14.12 H new ATOM 0 HE2 PHE A 10 -0.396 -8.629 -5.083 1.00 25.42 H new ATOM 0 HZ PHE A 10 -1.293 -9.824 -3.125 1.00 74.20 H new ATOM 161 N ASN A 11 0.298 -12.099 -9.837 1.00 42.24 N ATOM 162 CA ASN A 11 1.691 -11.709 -10.022 1.00 43.02 C ATOM 163 C ASN A 11 1.799 -10.232 -10.390 1.00 33.14 C ATOM 164 O ASN A 11 1.451 -9.830 -11.500 1.00 51.01 O ATOM 165 CB ASN A 11 2.342 -12.565 -11.110 1.00 62.43 C ATOM 166 CG ASN A 11 3.857 -12.530 -11.045 1.00 51.10 C ATOM 167 OD1 ASN A 11 4.437 -12.188 -10.014 1.00 61.14 O ATOM 168 ND2 ASN A 11 4.505 -12.884 -12.149 1.00 11.22 N ATOM 0 H ASN A 11 -0.203 -12.299 -10.703 1.00 42.24 H new ATOM 0 HA ASN A 11 2.215 -11.870 -9.080 1.00 43.02 H new ATOM 0 HB2 ASN A 11 2.001 -13.595 -11.010 1.00 62.43 H new ATOM 0 HB3 ASN A 11 2.015 -12.214 -12.089 1.00 62.43 H new ATOM 0 HD21 ASN A 11 5.525 -12.880 -12.165 1.00 11.22 H new ATOM 0 HD22 ASN A 11 3.983 -13.160 -12.980 1.00 11.22 H new ATOM 175 N LYS A 12 2.283 -9.428 -9.449 1.00 44.04 N ATOM 176 CA LYS A 12 2.439 -7.996 -9.673 1.00 3.41 C ATOM 177 C LYS A 12 3.237 -7.727 -10.945 1.00 72.11 C ATOM 178 O LYS A 12 2.991 -6.747 -11.647 1.00 65.33 O ATOM 179 CB LYS A 12 3.135 -7.344 -8.475 1.00 71.53 C ATOM 180 CG LYS A 12 3.501 -5.888 -8.702 1.00 54.14 C ATOM 181 CD LYS A 12 4.947 -5.738 -9.144 1.00 72.30 C ATOM 182 CE LYS A 12 5.822 -5.213 -8.017 1.00 3.32 C ATOM 183 NZ LYS A 12 5.972 -3.732 -8.075 1.00 62.22 N ATOM 0 H LYS A 12 2.574 -9.744 -8.524 1.00 44.04 H new ATOM 0 HA LYS A 12 1.446 -7.562 -9.790 1.00 3.41 H new ATOM 0 HB2 LYS A 12 2.483 -7.414 -7.604 1.00 71.53 H new ATOM 0 HB3 LYS A 12 4.040 -7.905 -8.242 1.00 71.53 H new ATOM 0 HG2 LYS A 12 2.842 -5.460 -9.458 1.00 54.14 H new ATOM 0 HG3 LYS A 12 3.340 -5.324 -7.783 1.00 54.14 H new ATOM 0 HD2 LYS A 12 5.327 -6.702 -9.482 1.00 72.30 H new ATOM 0 HD3 LYS A 12 5.000 -5.058 -9.994 1.00 72.30 H new ATOM 0 HE2 LYS A 12 5.388 -5.497 -7.058 1.00 3.32 H new ATOM 0 HE3 LYS A 12 6.805 -5.680 -8.073 1.00 3.32 H new ATOM 0 HZ1 LYS A 12 6.575 -3.413 -7.290 1.00 62.22 H new ATOM 0 HZ2 LYS A 12 6.409 -3.463 -8.979 1.00 62.22 H new ATOM 0 HZ3 LYS A 12 5.036 -3.285 -7.996 1.00 62.22 H new ATOM 197 N ASN A 13 4.191 -8.605 -11.236 1.00 64.02 N ATOM 198 CA ASN A 13 5.024 -8.463 -12.425 1.00 2.41 C ATOM 199 C ASN A 13 4.168 -8.417 -13.687 1.00 12.12 C ATOM 200 O ASN A 13 4.502 -7.731 -14.652 1.00 12.22 O ATOM 201 CB ASN A 13 6.023 -9.618 -12.515 1.00 2.14 C ATOM 202 CG ASN A 13 6.608 -9.770 -13.905 1.00 42.24 C ATOM 203 OD1 ASN A 13 6.498 -10.828 -14.525 1.00 53.43 O ATOM 204 ND2 ASN A 13 7.235 -8.710 -14.402 1.00 43.13 N ATOM 0 H ASN A 13 4.407 -9.422 -10.665 1.00 64.02 H new ATOM 0 HA ASN A 13 5.571 -7.524 -12.344 1.00 2.41 H new ATOM 0 HB2 ASN A 13 6.830 -9.453 -11.800 1.00 2.14 H new ATOM 0 HB3 ASN A 13 5.528 -10.546 -12.229 1.00 2.14 H new ATOM 0 HD21 ASN A 13 7.649 -8.753 -15.333 1.00 43.13 H new ATOM 0 HD22 ASN A 13 7.302 -7.853 -13.853 1.00 43.13 H new ATOM 211 N GLY A 14 3.061 -9.153 -13.671 1.00 55.01 N ATOM 212 CA GLY A 14 2.173 -9.182 -14.819 1.00 30.31 C ATOM 213 C GLY A 14 1.547 -7.831 -15.102 1.00 61.14 C ATOM 214 O GLY A 14 1.533 -7.374 -16.246 1.00 12.21 O ATOM 0 H GLY A 14 2.763 -9.730 -12.884 1.00 55.01 H new ATOM 0 HA2 GLY A 14 2.729 -9.512 -15.696 1.00 30.31 H new ATOM 0 HA3 GLY A 14 1.385 -9.915 -14.647 1.00 30.31 H new ATOM 218 N CYS A 15 1.027 -7.192 -14.061 1.00 1.33 N ATOM 219 CA CYS A 15 0.394 -5.885 -14.204 1.00 21.33 C ATOM 220 C CYS A 15 1.418 -4.825 -14.594 1.00 42.33 C ATOM 221 O CYS A 15 1.165 -3.994 -15.468 1.00 2.22 O ATOM 222 CB CYS A 15 -0.300 -5.486 -12.900 1.00 64.34 C ATOM 223 SG CYS A 15 -1.055 -3.844 -12.939 1.00 72.11 S ATOM 0 H CYS A 15 1.031 -7.557 -13.108 1.00 1.33 H new ATOM 0 HA CYS A 15 -0.351 -5.954 -14.997 1.00 21.33 H new ATOM 0 HB2 CYS A 15 -1.070 -6.223 -12.670 1.00 64.34 H new ATOM 0 HB3 CYS A 15 0.427 -5.521 -12.089 1.00 64.34 H new ATOM 0 HG CYS A 15 -1.618 -3.598 -11.793 1.00 72.11 H new ATOM 229 N LEU A 16 2.574 -4.858 -13.941 1.00 44.51 N ATOM 230 CA LEU A 16 3.637 -3.898 -14.219 1.00 4.23 C ATOM 231 C LEU A 16 4.082 -3.983 -15.675 1.00 73.53 C ATOM 232 O LEU A 16 4.256 -2.964 -16.343 1.00 75.14 O ATOM 233 CB LEU A 16 4.830 -4.147 -13.294 1.00 45.12 C ATOM 234 CG LEU A 16 5.998 -3.168 -13.426 1.00 54.21 C ATOM 235 CD1 LEU A 16 5.630 -1.817 -12.833 1.00 4.51 C ATOM 236 CD2 LEU A 16 7.242 -3.728 -12.752 1.00 40.35 C ATOM 0 H LEU A 16 2.799 -5.539 -13.216 1.00 44.51 H new ATOM 0 HA LEU A 16 3.245 -2.897 -14.037 1.00 4.23 H new ATOM 0 HB2 LEU A 16 4.476 -4.123 -12.263 1.00 45.12 H new ATOM 0 HB3 LEU A 16 5.204 -5.154 -13.479 1.00 45.12 H new ATOM 0 HG LEU A 16 6.215 -3.030 -14.485 1.00 54.21 H new ATOM 0 HD11 LEU A 16 6.472 -1.133 -12.936 1.00 4.51 H new ATOM 0 HD12 LEU A 16 4.767 -1.411 -13.360 1.00 4.51 H new ATOM 0 HD13 LEU A 16 5.387 -1.937 -11.777 1.00 4.51 H new ATOM 0 HD21 LEU A 16 8.063 -3.018 -12.856 1.00 40.35 H new ATOM 0 HD22 LEU A 16 7.039 -3.895 -11.694 1.00 40.35 H new ATOM 0 HD23 LEU A 16 7.517 -4.672 -13.222 1.00 40.35 H new ATOM 248 N VAL A 17 4.262 -5.207 -16.163 1.00 10.02 N ATOM 249 CA VAL A 17 4.683 -5.426 -17.541 1.00 75.35 C ATOM 250 C VAL A 17 3.589 -5.017 -18.521 1.00 52.14 C ATOM 251 O VAL A 17 3.870 -4.477 -19.592 1.00 15.13 O ATOM 252 CB VAL A 17 5.051 -6.901 -17.788 1.00 24.32 C ATOM 253 CG1 VAL A 17 5.359 -7.136 -19.259 1.00 23.53 C ATOM 254 CG2 VAL A 17 6.230 -7.308 -16.916 1.00 41.02 C ATOM 0 H VAL A 17 4.123 -6.062 -15.624 1.00 10.02 H new ATOM 0 HA VAL A 17 5.565 -4.807 -17.705 1.00 75.35 H new ATOM 0 HB VAL A 17 4.196 -7.521 -17.518 1.00 24.32 H new ATOM 0 HG11 VAL A 17 5.617 -8.184 -19.414 1.00 23.53 H new ATOM 0 HG12 VAL A 17 4.484 -6.885 -19.859 1.00 23.53 H new ATOM 0 HG13 VAL A 17 6.197 -6.508 -19.560 1.00 23.53 H new ATOM 0 HG21 VAL A 17 6.477 -8.353 -17.103 1.00 41.02 H new ATOM 0 HG22 VAL A 17 7.091 -6.683 -17.154 1.00 41.02 H new ATOM 0 HG23 VAL A 17 5.967 -7.179 -15.866 1.00 41.02 H new ATOM 264 N PHE A 18 2.340 -5.277 -18.148 1.00 61.14 N ATOM 265 CA PHE A 18 1.203 -4.936 -18.995 1.00 34.12 C ATOM 266 C PHE A 18 1.115 -3.427 -19.206 1.00 71.51 C ATOM 267 O PHE A 18 0.894 -2.957 -20.322 1.00 74.42 O ATOM 268 CB PHE A 18 -0.096 -5.452 -18.372 1.00 13.43 C ATOM 269 CG PHE A 18 -1.316 -5.155 -19.197 1.00 22.30 C ATOM 270 CD1 PHE A 18 -1.314 -5.377 -20.565 1.00 23.33 C ATOM 271 CD2 PHE A 18 -2.464 -4.655 -18.605 1.00 74.30 C ATOM 272 CE1 PHE A 18 -2.434 -5.105 -21.326 1.00 52.33 C ATOM 273 CE2 PHE A 18 -3.588 -4.381 -19.362 1.00 33.24 C ATOM 274 CZ PHE A 18 -3.573 -4.607 -20.724 1.00 33.21 C ATOM 0 H PHE A 18 2.090 -5.723 -17.265 1.00 61.14 H new ATOM 0 HA PHE A 18 1.348 -5.413 -19.965 1.00 34.12 H new ATOM 0 HB2 PHE A 18 -0.018 -6.530 -18.229 1.00 13.43 H new ATOM 0 HB3 PHE A 18 -0.218 -5.007 -17.384 1.00 13.43 H new ATOM 0 HD1 PHE A 18 -0.427 -5.767 -21.041 1.00 23.33 H new ATOM 0 HD2 PHE A 18 -2.481 -4.477 -17.540 1.00 74.30 H new ATOM 0 HE1 PHE A 18 -2.419 -5.282 -22.391 1.00 52.33 H new ATOM 0 HE2 PHE A 18 -4.477 -3.991 -18.889 1.00 33.24 H new ATOM 0 HZ PHE A 18 -4.450 -4.395 -21.317 1.00 33.21 H new ATOM 284 N VAL A 19 1.290 -2.673 -18.125 1.00 75.44 N ATOM 285 CA VAL A 19 1.231 -1.218 -18.191 1.00 71.11 C ATOM 286 C VAL A 19 2.435 -0.653 -18.936 1.00 0.43 C ATOM 287 O VAL A 19 2.293 0.212 -19.800 1.00 62.15 O ATOM 288 CB VAL A 19 1.172 -0.595 -16.784 1.00 1.41 C ATOM 289 CG1 VAL A 19 0.993 0.913 -16.875 1.00 2.13 C ATOM 290 CG2 VAL A 19 0.053 -1.225 -15.969 1.00 13.51 C ATOM 0 H VAL A 19 1.474 -3.046 -17.194 1.00 75.44 H new ATOM 0 HA VAL A 19 0.320 -0.962 -18.732 1.00 71.11 H new ATOM 0 HB VAL A 19 2.116 -0.795 -16.277 1.00 1.41 H new ATOM 0 HG11 VAL A 19 0.953 1.336 -15.871 1.00 2.13 H new ATOM 0 HG12 VAL A 19 1.832 1.347 -17.419 1.00 2.13 H new ATOM 0 HG13 VAL A 19 0.065 1.138 -17.400 1.00 2.13 H new ATOM 0 HG21 VAL A 19 0.026 -0.773 -14.978 1.00 13.51 H new ATOM 0 HG22 VAL A 19 -0.900 -1.058 -16.470 1.00 13.51 H new ATOM 0 HG23 VAL A 19 0.230 -2.296 -15.874 1.00 13.51 H new ATOM 300 N SER A 20 3.621 -1.147 -18.594 1.00 53.12 N ATOM 301 CA SER A 20 4.851 -0.689 -19.228 1.00 43.41 C ATOM 302 C SER A 20 4.791 -0.888 -20.739 1.00 54.35 C ATOM 303 O SER A 20 5.066 0.033 -21.509 1.00 61.43 O ATOM 304 CB SER A 20 6.056 -1.436 -18.652 1.00 14.32 C ATOM 305 OG SER A 20 7.237 -1.131 -19.372 1.00 42.02 O ATOM 0 H SER A 20 3.756 -1.864 -17.881 1.00 53.12 H new ATOM 0 HA SER A 20 4.960 0.376 -19.023 1.00 43.41 H new ATOM 0 HB2 SER A 20 6.186 -1.168 -17.603 1.00 14.32 H new ATOM 0 HB3 SER A 20 5.872 -2.510 -18.686 1.00 14.32 H new ATOM 0 HG SER A 20 7.992 -1.620 -18.983 1.00 42.02 H new ATOM 311 N ARG A 21 4.428 -2.096 -21.157 1.00 21.44 N ATOM 312 CA ARG A 21 4.332 -2.418 -22.575 1.00 61.13 C ATOM 313 C ARG A 21 3.173 -1.669 -23.225 1.00 52.35 C ATOM 314 O ARG A 21 3.262 -1.246 -24.379 1.00 12.41 O ATOM 315 CB ARG A 21 4.151 -3.925 -22.767 1.00 40.13 C ATOM 316 CG ARG A 21 2.742 -4.412 -22.471 1.00 51.42 C ATOM 317 CD ARG A 21 2.598 -5.900 -22.745 1.00 33.52 C ATOM 318 NE ARG A 21 2.674 -6.692 -21.520 1.00 22.11 N ATOM 319 CZ ARG A 21 2.319 -7.970 -21.447 1.00 53.13 C ATOM 320 NH1 ARG A 21 1.865 -8.597 -22.524 1.00 21.44 N ATOM 321 NH2 ARG A 21 2.417 -8.623 -20.296 1.00 42.14 N ATOM 0 H ARG A 21 4.195 -2.868 -20.533 1.00 21.44 H new ATOM 0 HA ARG A 21 5.259 -2.106 -23.056 1.00 61.13 H new ATOM 0 HB2 ARG A 21 4.408 -4.185 -23.794 1.00 40.13 H new ATOM 0 HB3 ARG A 21 4.852 -4.452 -22.120 1.00 40.13 H new ATOM 0 HG2 ARG A 21 2.497 -4.207 -21.429 1.00 51.42 H new ATOM 0 HG3 ARG A 21 2.029 -3.858 -23.081 1.00 51.42 H new ATOM 0 HD2 ARG A 21 1.645 -6.087 -23.239 1.00 33.52 H new ATOM 0 HD3 ARG A 21 3.381 -6.219 -23.432 1.00 33.52 H new ATOM 0 HE ARG A 21 3.019 -6.239 -20.674 1.00 22.11 H new ATOM 0 HH11 ARG A 21 1.788 -8.098 -23.410 1.00 21.44 H new ATOM 0 HH12 ARG A 21 1.593 -9.578 -22.466 1.00 21.44 H new ATOM 0 HH21 ARG A 21 2.765 -8.144 -19.466 1.00 42.14 H new ATOM 0 HH22 ARG A 21 2.144 -9.604 -20.242 1.00 42.14 H new ATOM 335 N LEU A 22 2.086 -1.508 -22.479 1.00 31.43 N ATOM 336 CA LEU A 22 0.908 -0.810 -22.982 1.00 70.40 C ATOM 337 C LEU A 22 1.252 0.621 -23.382 1.00 24.22 C ATOM 338 O LEU A 22 0.829 1.101 -24.434 1.00 24.45 O ATOM 339 CB LEU A 22 -0.197 -0.805 -21.924 1.00 4.52 C ATOM 340 CG LEU A 22 -1.142 0.397 -21.946 1.00 45.45 C ATOM 341 CD1 LEU A 22 -2.545 -0.019 -21.533 1.00 5.34 C ATOM 342 CD2 LEU A 22 -0.621 1.502 -21.038 1.00 52.14 C ATOM 0 H LEU A 22 1.996 -1.852 -21.523 1.00 31.43 H new ATOM 0 HA LEU A 22 0.553 -1.339 -23.866 1.00 70.40 H new ATOM 0 HB2 LEU A 22 -0.791 -1.711 -22.044 1.00 4.52 H new ATOM 0 HB3 LEU A 22 0.269 -0.857 -20.940 1.00 4.52 H new ATOM 0 HG LEU A 22 -1.185 0.782 -22.965 1.00 45.45 H new ATOM 0 HD11 LEU A 22 -3.203 0.850 -21.555 1.00 5.34 H new ATOM 0 HD12 LEU A 22 -2.919 -0.775 -22.224 1.00 5.34 H new ATOM 0 HD13 LEU A 22 -2.520 -0.430 -20.524 1.00 5.34 H new ATOM 0 HD21 LEU A 22 -1.306 2.349 -21.066 1.00 52.14 H new ATOM 0 HD22 LEU A 22 -0.547 1.129 -20.017 1.00 52.14 H new ATOM 0 HD23 LEU A 22 0.364 1.820 -21.380 1.00 52.14 H new ATOM 354 N TRP A 23 2.024 1.296 -22.537 1.00 73.34 N ATOM 355 CA TRP A 23 2.427 2.672 -22.804 1.00 61.20 C ATOM 356 C TRP A 23 3.237 2.762 -24.093 1.00 33.31 C ATOM 357 O TRP A 23 3.113 3.726 -24.848 1.00 61.14 O ATOM 358 CB TRP A 23 3.245 3.221 -21.634 1.00 40.00 C ATOM 359 CG TRP A 23 2.403 3.657 -20.473 1.00 71.43 C ATOM 360 CD1 TRP A 23 1.172 4.246 -20.529 1.00 43.21 C ATOM 361 CD2 TRP A 23 2.731 3.539 -19.085 1.00 32.44 C ATOM 362 NE1 TRP A 23 0.715 4.502 -19.259 1.00 24.23 N ATOM 363 CE2 TRP A 23 1.653 4.076 -18.355 1.00 14.32 C ATOM 364 CE3 TRP A 23 3.829 3.029 -18.387 1.00 10.24 C ATOM 365 CZ2 TRP A 23 1.644 4.119 -16.963 1.00 53.02 C ATOM 366 CZ3 TRP A 23 3.819 3.073 -17.005 1.00 72.44 C ATOM 367 CH2 TRP A 23 2.732 3.613 -16.305 1.00 41.55 C ATOM 0 H TRP A 23 2.383 0.913 -21.662 1.00 73.34 H new ATOM 0 HA TRP A 23 1.525 3.272 -22.921 1.00 61.20 H new ATOM 0 HB2 TRP A 23 3.945 2.456 -21.299 1.00 40.00 H new ATOM 0 HB3 TRP A 23 3.839 4.067 -21.981 1.00 40.00 H new ATOM 0 HD1 TRP A 23 0.637 4.477 -21.438 1.00 43.21 H new ATOM 0 HE1 TRP A 23 -0.177 4.938 -19.027 1.00 24.23 H new ATOM 0 HE3 TRP A 23 4.670 2.608 -18.917 1.00 10.24 H new ATOM 0 HZ2 TRP A 23 0.808 4.537 -16.422 1.00 53.02 H new ATOM 0 HZ3 TRP A 23 4.664 2.684 -16.456 1.00 72.44 H new ATOM 0 HH2 TRP A 23 2.753 3.630 -15.225 1.00 41.55 H new ATOM 378 N ASP A 24 4.064 1.752 -24.338 1.00 63.01 N ATOM 379 CA ASP A 24 4.894 1.717 -25.537 1.00 75.03 C ATOM 380 C ASP A 24 4.035 1.542 -26.786 1.00 65.53 C ATOM 381 O ASP A 24 4.129 2.325 -27.732 1.00 42.21 O ATOM 382 CB ASP A 24 5.916 0.584 -25.443 1.00 25.11 C ATOM 383 CG ASP A 24 7.317 1.091 -25.160 1.00 62.53 C ATOM 384 OD1 ASP A 24 7.535 1.656 -24.068 1.00 30.31 O ATOM 385 OD2 ASP A 24 8.196 0.921 -26.031 1.00 52.11 O ATOM 0 H ASP A 24 4.178 0.947 -23.723 1.00 63.01 H new ATOM 0 HA ASP A 24 5.423 2.667 -25.611 1.00 75.03 H new ATOM 0 HB2 ASP A 24 5.617 -0.107 -24.655 1.00 25.11 H new ATOM 0 HB3 ASP A 24 5.918 0.022 -26.377 1.00 25.11 H new ATOM 390 N LEU A 25 3.200 0.508 -26.784 1.00 4.53 N ATOM 391 CA LEU A 25 2.326 0.229 -27.917 1.00 74.12 C ATOM 392 C LEU A 25 1.412 1.416 -28.206 1.00 32.45 C ATOM 393 O LEU A 25 1.049 1.668 -29.355 1.00 23.03 O ATOM 394 CB LEU A 25 1.487 -1.021 -27.643 1.00 52.44 C ATOM 395 CG LEU A 25 0.535 -1.449 -28.761 1.00 44.43 C ATOM 396 CD1 LEU A 25 -0.758 -0.651 -28.696 1.00 31.43 C ATOM 397 CD2 LEU A 25 1.199 -1.281 -30.120 1.00 43.42 C ATOM 0 H LEU A 25 3.110 -0.150 -26.010 1.00 4.53 H new ATOM 0 HA LEU A 25 2.952 0.055 -28.793 1.00 74.12 H new ATOM 0 HB2 LEU A 25 2.164 -1.849 -27.432 1.00 52.44 H new ATOM 0 HB3 LEU A 25 0.901 -0.850 -26.740 1.00 52.44 H new ATOM 0 HG LEU A 25 0.295 -2.503 -28.624 1.00 44.43 H new ATOM 0 HD11 LEU A 25 -1.423 -0.969 -29.499 1.00 31.43 H new ATOM 0 HD12 LEU A 25 -1.243 -0.821 -27.735 1.00 31.43 H new ATOM 0 HD13 LEU A 25 -0.536 0.410 -28.808 1.00 31.43 H new ATOM 0 HD21 LEU A 25 0.507 -1.590 -30.904 1.00 43.42 H new ATOM 0 HD22 LEU A 25 1.469 -0.235 -30.266 1.00 43.42 H new ATOM 0 HD23 LEU A 25 2.097 -1.897 -30.165 1.00 43.42 H new ATOM 409 N ASP A 26 1.045 2.142 -27.155 1.00 72.34 N ATOM 410 CA ASP A 26 0.176 3.304 -27.296 1.00 11.52 C ATOM 411 C ASP A 26 0.933 4.477 -27.912 1.00 13.23 C ATOM 412 O ASP A 26 1.307 5.422 -27.217 1.00 54.51 O ATOM 413 CB ASP A 26 -0.396 3.708 -25.936 1.00 25.03 C ATOM 414 CG ASP A 26 -1.182 5.002 -25.999 1.00 51.41 C ATOM 415 OD1 ASP A 26 -1.590 5.395 -27.112 1.00 42.45 O ATOM 416 OD2 ASP A 26 -1.391 5.622 -24.935 1.00 42.15 O ATOM 0 H ASP A 26 1.336 1.946 -26.197 1.00 72.34 H new ATOM 0 HA ASP A 26 -0.645 3.035 -27.961 1.00 11.52 H new ATOM 0 HB2 ASP A 26 -1.042 2.912 -25.566 1.00 25.03 H new ATOM 0 HB3 ASP A 26 0.419 3.816 -25.220 1.00 25.03 H new ATOM 421 N LYS A 27 1.156 4.409 -29.220 1.00 22.13 N ATOM 422 CA LYS A 27 1.868 5.464 -29.931 1.00 2.13 C ATOM 423 C LYS A 27 1.095 6.778 -29.872 1.00 32.52 C ATOM 424 O LYS A 27 1.686 7.858 -29.866 1.00 11.21 O ATOM 425 CB LYS A 27 2.097 5.060 -31.389 1.00 24.02 C ATOM 426 CG LYS A 27 3.270 4.114 -31.581 1.00 2.13 C ATOM 427 CD LYS A 27 4.527 4.861 -31.993 1.00 44.21 C ATOM 428 CE LYS A 27 5.766 3.990 -31.848 1.00 40.41 C ATOM 429 NZ LYS A 27 6.154 3.811 -30.422 1.00 32.44 N ATOM 0 H LYS A 27 0.854 3.634 -29.810 1.00 22.13 H new ATOM 0 HA LYS A 27 2.833 5.608 -29.444 1.00 2.13 H new ATOM 0 HB2 LYS A 27 1.193 4.587 -31.772 1.00 24.02 H new ATOM 0 HB3 LYS A 27 2.264 5.958 -31.984 1.00 24.02 H new ATOM 0 HG2 LYS A 27 3.456 3.571 -30.655 1.00 2.13 H new ATOM 0 HG3 LYS A 27 3.021 3.373 -32.341 1.00 2.13 H new ATOM 0 HD2 LYS A 27 4.432 5.192 -33.027 1.00 44.21 H new ATOM 0 HD3 LYS A 27 4.637 5.756 -31.381 1.00 44.21 H new ATOM 0 HE2 LYS A 27 5.579 3.015 -32.299 1.00 40.41 H new ATOM 0 HE3 LYS A 27 6.593 4.441 -32.396 1.00 40.41 H new ATOM 0 HZ1 LYS A 27 7.097 3.374 -30.371 1.00 32.44 H new ATOM 0 HZ2 LYS A 27 6.175 4.737 -29.949 1.00 32.44 H new ATOM 0 HZ3 LYS A 27 5.462 3.196 -29.948 1.00 32.44 H new ATOM 443 N LEU A 28 -0.229 6.678 -29.827 1.00 31.43 N ATOM 444 CA LEU A 28 -1.084 7.858 -29.766 1.00 41.24 C ATOM 445 C LEU A 28 -0.679 8.765 -28.609 1.00 45.41 C ATOM 446 O LEU A 28 -0.859 9.981 -28.667 1.00 72.10 O ATOM 447 CB LEU A 28 -2.549 7.444 -29.616 1.00 2.31 C ATOM 448 CG LEU A 28 -3.547 8.579 -29.384 1.00 4.54 C ATOM 449 CD1 LEU A 28 -4.043 9.133 -30.710 1.00 14.20 C ATOM 450 CD2 LEU A 28 -4.714 8.098 -28.534 1.00 5.23 C ATOM 0 H LEU A 28 -0.734 5.792 -29.832 1.00 31.43 H new ATOM 0 HA LEU A 28 -0.963 8.412 -30.697 1.00 41.24 H new ATOM 0 HB2 LEU A 28 -2.847 6.903 -30.514 1.00 2.31 H new ATOM 0 HB3 LEU A 28 -2.625 6.745 -28.783 1.00 2.31 H new ATOM 0 HG LEU A 28 -3.039 9.380 -28.847 1.00 4.54 H new ATOM 0 HD11 LEU A 28 -4.752 9.940 -30.525 1.00 14.20 H new ATOM 0 HD12 LEU A 28 -3.199 9.517 -31.283 1.00 14.20 H new ATOM 0 HD13 LEU A 28 -4.534 8.340 -31.275 1.00 14.20 H new ATOM 0 HD21 LEU A 28 -5.414 8.919 -28.379 1.00 5.23 H new ATOM 0 HD22 LEU A 28 -5.222 7.279 -29.043 1.00 5.23 H new ATOM 0 HD23 LEU A 28 -4.343 7.751 -27.570 1.00 5.23 H new ATOM 462 N GLY A 29 -0.127 8.165 -27.558 1.00 50.44 N ATOM 463 CA GLY A 29 0.298 8.934 -26.403 1.00 55.53 C ATOM 464 C GLY A 29 -0.867 9.368 -25.535 1.00 52.05 C ATOM 465 O GLY A 29 -0.726 10.253 -24.692 1.00 64.01 O ATOM 0 H GLY A 29 0.033 7.160 -27.486 1.00 50.44 H new ATOM 0 HA2 GLY A 29 0.989 8.337 -25.807 1.00 55.53 H new ATOM 0 HA3 GLY A 29 0.845 9.815 -26.738 1.00 55.53 H new ATOM 469 N MET A 30 -2.022 8.744 -25.743 1.00 53.54 N ATOM 470 CA MET A 30 -3.216 9.072 -24.973 1.00 75.01 C ATOM 471 C MET A 30 -4.310 8.033 -25.198 1.00 73.10 C ATOM 472 O MET A 30 -5.496 8.363 -25.234 1.00 1.00 O ATOM 473 CB MET A 30 -3.730 10.461 -25.355 1.00 15.42 C ATOM 474 CG MET A 30 -4.317 11.235 -24.185 1.00 74.31 C ATOM 475 SD MET A 30 -3.801 12.962 -24.166 1.00 13.34 S ATOM 476 CE MET A 30 -4.985 13.682 -25.301 1.00 11.24 C ATOM 0 H MET A 30 -2.156 8.009 -26.438 1.00 53.54 H new ATOM 0 HA MET A 30 -2.948 9.070 -23.916 1.00 75.01 H new ATOM 0 HB2 MET A 30 -2.911 11.037 -25.786 1.00 15.42 H new ATOM 0 HB3 MET A 30 -4.490 10.358 -26.130 1.00 15.42 H new ATOM 0 HG2 MET A 30 -5.405 11.185 -24.231 1.00 74.31 H new ATOM 0 HG3 MET A 30 -4.015 10.759 -23.252 1.00 74.31 H new ATOM 0 HE1 MET A 30 -4.795 14.751 -25.395 1.00 11.24 H new ATOM 0 HE2 MET A 30 -4.887 13.209 -26.278 1.00 11.24 H new ATOM 0 HE3 MET A 30 -5.995 13.525 -24.922 1.00 11.24 H new ATOM 486 N PHE A 31 -3.905 6.776 -25.349 1.00 43.52 N ATOM 487 CA PHE A 31 -4.851 5.689 -25.572 1.00 43.30 C ATOM 488 C PHE A 31 -4.969 4.809 -24.331 1.00 74.25 C ATOM 489 O PHE A 31 -3.992 4.203 -23.890 1.00 50.51 O ATOM 490 CB PHE A 31 -4.416 4.844 -26.771 1.00 41.33 C ATOM 491 CG PHE A 31 -5.563 4.213 -27.507 1.00 50.23 C ATOM 492 CD1 PHE A 31 -6.449 4.991 -28.235 1.00 3.50 C ATOM 493 CD2 PHE A 31 -5.756 2.842 -27.471 1.00 61.50 C ATOM 494 CE1 PHE A 31 -7.505 4.414 -28.914 1.00 32.22 C ATOM 495 CE2 PHE A 31 -6.810 2.258 -28.148 1.00 52.31 C ATOM 496 CZ PHE A 31 -7.687 3.045 -28.869 1.00 44.53 C ATOM 0 H PHE A 31 -2.928 6.485 -25.321 1.00 43.52 H new ATOM 0 HA PHE A 31 -5.827 6.127 -25.780 1.00 43.30 H new ATOM 0 HB2 PHE A 31 -3.852 5.471 -27.462 1.00 41.33 H new ATOM 0 HB3 PHE A 31 -3.740 4.061 -26.427 1.00 41.33 H new ATOM 0 HD1 PHE A 31 -6.312 6.062 -28.272 1.00 3.50 H new ATOM 0 HD2 PHE A 31 -5.075 2.222 -26.907 1.00 61.50 H new ATOM 0 HE1 PHE A 31 -8.187 5.032 -29.479 1.00 32.22 H new ATOM 0 HE2 PHE A 31 -6.948 1.187 -28.113 1.00 52.31 H new ATOM 0 HZ PHE A 31 -8.513 2.591 -29.396 1.00 44.53 H new ATOM 506 N HIS A 32 -6.174 4.743 -23.773 1.00 21.21 N ATOM 507 CA HIS A 32 -6.422 3.937 -22.583 1.00 24.41 C ATOM 508 C HIS A 32 -7.900 3.963 -22.207 1.00 10.01 C ATOM 509 O HIS A 32 -8.257 4.278 -21.071 1.00 42.32 O ATOM 510 CB HIS A 32 -5.577 4.443 -21.413 1.00 61.23 C ATOM 511 CG HIS A 32 -5.548 5.936 -21.297 1.00 60.32 C ATOM 512 ND1 HIS A 32 -4.380 6.669 -21.307 1.00 72.10 N ATOM 513 CD2 HIS A 32 -6.553 6.833 -21.170 1.00 40.40 C ATOM 514 CE1 HIS A 32 -4.668 7.953 -21.189 1.00 60.21 C ATOM 515 NE2 HIS A 32 -5.980 8.080 -21.105 1.00 20.33 N ATOM 0 H HIS A 32 -6.993 5.238 -24.126 1.00 21.21 H new ATOM 0 HA HIS A 32 -6.140 2.908 -22.807 1.00 24.41 H new ATOM 0 HB2 HIS A 32 -5.966 4.022 -20.486 1.00 61.23 H new ATOM 0 HB3 HIS A 32 -4.557 4.076 -21.526 1.00 61.23 H new ATOM 0 HD2 HIS A 32 -7.609 6.610 -21.128 1.00 40.40 H new ATOM 0 HE1 HIS A 32 -3.952 8.761 -21.165 1.00 60.21 H new ATOM 0 HE2 HIS A 32 -6.486 8.961 -21.008 1.00 20.33 H new ATOM 523 N HIS A 33 -8.756 3.631 -23.168 1.00 32.30 N ATOM 524 CA HIS A 33 -10.196 3.617 -22.937 1.00 74.55 C ATOM 525 C HIS A 33 -10.888 2.639 -23.883 1.00 33.14 C ATOM 526 O HIS A 33 -10.358 2.271 -24.931 1.00 54.24 O ATOM 527 CB HIS A 33 -10.777 5.019 -23.121 1.00 33.12 C ATOM 528 CG HIS A 33 -10.803 5.826 -21.860 1.00 10.24 C ATOM 529 ND1 HIS A 33 -11.161 5.300 -20.636 1.00 71.13 N ATOM 530 CD2 HIS A 33 -10.511 7.129 -21.636 1.00 64.30 C ATOM 531 CE1 HIS A 33 -11.090 6.244 -19.715 1.00 44.33 C ATOM 532 NE2 HIS A 33 -10.697 7.364 -20.296 1.00 23.31 N ATOM 0 H HIS A 33 -8.478 3.368 -24.113 1.00 32.30 H new ATOM 0 HA HIS A 33 -10.372 3.291 -21.912 1.00 74.55 H new ATOM 0 HB2 HIS A 33 -10.191 5.551 -23.871 1.00 33.12 H new ATOM 0 HB3 HIS A 33 -11.792 4.935 -23.510 1.00 33.12 H new ATOM 0 HD2 HIS A 33 -10.191 7.850 -22.374 1.00 64.30 H new ATOM 0 HE1 HIS A 33 -11.315 6.121 -18.666 1.00 44.33 H new ATOM 0 HE2 HIS A 33 -10.555 8.258 -19.825 1.00 23.31 H new ATOM 540 N PRO A 34 -12.100 2.206 -23.504 1.00 52.32 N ATOM 541 CA PRO A 34 -12.890 1.265 -24.304 1.00 12.50 C ATOM 542 C PRO A 34 -13.409 1.894 -25.593 1.00 61.51 C ATOM 543 O PRO A 34 -13.687 3.092 -25.644 1.00 24.23 O ATOM 544 CB PRO A 34 -14.055 0.904 -23.379 1.00 0.32 C ATOM 545 CG PRO A 34 -14.186 2.071 -22.461 1.00 62.25 C ATOM 546 CD PRO A 34 -12.793 2.603 -22.267 1.00 21.23 C ATOM 0 HA PRO A 34 -12.300 0.406 -24.624 1.00 12.50 H new ATOM 0 HB2 PRO A 34 -14.973 0.740 -23.944 1.00 0.32 H new ATOM 0 HB3 PRO A 34 -13.852 -0.013 -22.827 1.00 0.32 H new ATOM 0 HG2 PRO A 34 -14.839 2.832 -22.888 1.00 62.25 H new ATOM 0 HG3 PRO A 34 -14.626 1.772 -21.510 1.00 62.25 H new ATOM 0 HD2 PRO A 34 -12.791 3.685 -22.135 1.00 21.23 H new ATOM 0 HD3 PRO A 34 -12.318 2.173 -21.385 1.00 21.23 H new ATOM 554 N VAL A 35 -13.538 1.077 -26.634 1.00 22.31 N ATOM 555 CA VAL A 35 -14.025 1.552 -27.923 1.00 42.32 C ATOM 556 C VAL A 35 -15.515 1.871 -27.864 1.00 64.34 C ATOM 557 O VAL A 35 -16.278 1.194 -27.176 1.00 22.43 O ATOM 558 CB VAL A 35 -13.776 0.515 -29.034 1.00 52.24 C ATOM 559 CG1 VAL A 35 -12.302 0.146 -29.100 1.00 32.51 C ATOM 560 CG2 VAL A 35 -14.635 -0.721 -28.811 1.00 42.40 C ATOM 0 H VAL A 35 -13.312 0.083 -26.609 1.00 22.31 H new ATOM 0 HA VAL A 35 -13.471 2.462 -28.155 1.00 42.32 H new ATOM 0 HB VAL A 35 -14.058 0.957 -29.990 1.00 52.24 H new ATOM 0 HG11 VAL A 35 -12.146 -0.588 -29.891 1.00 32.51 H new ATOM 0 HG12 VAL A 35 -11.713 1.038 -29.311 1.00 32.51 H new ATOM 0 HG13 VAL A 35 -11.990 -0.277 -28.145 1.00 32.51 H new ATOM 0 HG21 VAL A 35 -14.446 -1.443 -29.605 1.00 42.40 H new ATOM 0 HG22 VAL A 35 -14.387 -1.167 -27.848 1.00 42.40 H new ATOM 0 HG23 VAL A 35 -15.688 -0.439 -28.820 1.00 42.40 H new ATOM 570 N SER A 36 -15.922 2.906 -28.592 1.00 31.21 N ATOM 571 CA SER A 36 -17.321 3.317 -28.620 1.00 61.33 C ATOM 572 C SER A 36 -18.128 2.432 -29.566 1.00 1.22 C ATOM 573 O SER A 36 -17.791 2.292 -30.741 1.00 21.40 O ATOM 574 CB SER A 36 -17.436 4.780 -29.050 1.00 42.44 C ATOM 575 OG SER A 36 -16.643 5.618 -28.227 1.00 23.31 O ATOM 0 H SER A 36 -15.303 3.475 -29.170 1.00 31.21 H new ATOM 0 HA SER A 36 -17.726 3.209 -27.614 1.00 61.33 H new ATOM 0 HB2 SER A 36 -17.122 4.883 -30.089 1.00 42.44 H new ATOM 0 HB3 SER A 36 -18.478 5.096 -28.999 1.00 42.44 H new ATOM 0 HG SER A 36 -16.733 6.548 -28.524 1.00 23.31 H new ATOM 581 N ALA A 37 -19.196 1.838 -29.043 1.00 64.12 N ATOM 582 CA ALA A 37 -20.053 0.969 -29.840 1.00 25.42 C ATOM 583 C ALA A 37 -20.756 1.752 -30.942 1.00 54.34 C ATOM 584 O ALA A 37 -20.996 1.230 -32.031 1.00 11.34 O ATOM 585 CB ALA A 37 -21.073 0.274 -28.950 1.00 25.20 C ATOM 0 H ALA A 37 -19.488 1.943 -28.071 1.00 64.12 H new ATOM 0 HA ALA A 37 -19.424 0.214 -30.312 1.00 25.42 H new ATOM 0 HB1 ALA A 37 -21.706 -0.372 -29.558 1.00 25.20 H new ATOM 0 HB2 ALA A 37 -20.554 -0.326 -28.202 1.00 25.20 H new ATOM 0 HB3 ALA A 37 -21.690 1.021 -28.451 1.00 25.20 H new ATOM 591 N GLU A 38 -21.085 3.007 -30.653 1.00 13.33 N ATOM 592 CA GLU A 38 -21.763 3.862 -31.621 1.00 34.55 C ATOM 593 C GLU A 38 -21.020 3.871 -32.953 1.00 23.00 C ATOM 594 O GLU A 38 -21.635 3.889 -34.018 1.00 71.33 O ATOM 595 CB GLU A 38 -21.882 5.288 -31.080 1.00 52.11 C ATOM 596 CG GLU A 38 -20.547 5.912 -30.709 1.00 71.44 C ATOM 597 CD GLU A 38 -19.990 6.794 -31.809 1.00 40.24 C ATOM 598 OE1 GLU A 38 -20.489 6.707 -32.951 1.00 23.22 O ATOM 599 OE2 GLU A 38 -19.055 7.573 -31.528 1.00 22.30 O ATOM 0 H GLU A 38 -20.893 3.454 -29.757 1.00 13.33 H new ATOM 0 HA GLU A 38 -22.763 3.460 -31.786 1.00 34.55 H new ATOM 0 HB2 GLU A 38 -22.370 5.912 -31.829 1.00 52.11 H new ATOM 0 HB3 GLU A 38 -22.527 5.282 -30.201 1.00 52.11 H new ATOM 0 HG2 GLU A 38 -20.666 6.502 -29.800 1.00 71.44 H new ATOM 0 HG3 GLU A 38 -19.831 5.122 -30.484 1.00 71.44 H new ATOM 606 N GLU A 39 -19.692 3.860 -32.883 1.00 71.31 N ATOM 607 CA GLU A 39 -18.865 3.868 -34.084 1.00 4.53 C ATOM 608 C GLU A 39 -18.533 2.446 -34.526 1.00 45.30 C ATOM 609 O GLU A 39 -18.495 2.148 -35.721 1.00 12.14 O ATOM 610 CB GLU A 39 -17.574 4.651 -33.835 1.00 2.45 C ATOM 611 CG GLU A 39 -17.338 5.771 -34.835 1.00 20.42 C ATOM 612 CD GLU A 39 -16.335 6.794 -34.339 1.00 54.50 C ATOM 613 OE1 GLU A 39 -16.106 6.856 -33.113 1.00 63.52 O ATOM 614 OE2 GLU A 39 -15.780 7.535 -35.178 1.00 33.31 O ATOM 0 H GLU A 39 -19.167 3.846 -32.009 1.00 71.31 H new ATOM 0 HA GLU A 39 -19.429 4.354 -34.880 1.00 4.53 H new ATOM 0 HB2 GLU A 39 -17.603 5.073 -32.830 1.00 2.45 H new ATOM 0 HB3 GLU A 39 -16.730 3.963 -33.868 1.00 2.45 H new ATOM 0 HG2 GLU A 39 -16.984 5.346 -35.774 1.00 20.42 H new ATOM 0 HG3 GLU A 39 -18.284 6.269 -35.047 1.00 20.42 H new ATOM 621 N LEU A 40 -18.291 1.572 -33.555 1.00 53.41 N ATOM 622 CA LEU A 40 -17.961 0.181 -33.843 1.00 35.32 C ATOM 623 C LEU A 40 -19.069 -0.752 -33.363 1.00 1.23 C ATOM 624 O LEU A 40 -18.945 -1.429 -32.342 1.00 11.43 O ATOM 625 CB LEU A 40 -16.637 -0.198 -33.178 1.00 44.24 C ATOM 626 CG LEU A 40 -15.372 0.106 -33.982 1.00 62.12 C ATOM 627 CD1 LEU A 40 -15.251 -0.841 -35.166 1.00 74.10 C ATOM 628 CD2 LEU A 40 -15.373 1.553 -34.453 1.00 15.14 C ATOM 0 H LEU A 40 -18.317 1.802 -32.562 1.00 53.41 H new ATOM 0 HA LEU A 40 -17.862 0.073 -34.923 1.00 35.32 H new ATOM 0 HB2 LEU A 40 -16.571 0.323 -32.223 1.00 44.24 H new ATOM 0 HB3 LEU A 40 -16.656 -1.265 -32.958 1.00 44.24 H new ATOM 0 HG LEU A 40 -14.509 -0.043 -33.333 1.00 62.12 H new ATOM 0 HD11 LEU A 40 -14.345 -0.609 -35.726 1.00 74.10 H new ATOM 0 HD12 LEU A 40 -15.202 -1.869 -34.806 1.00 74.10 H new ATOM 0 HD13 LEU A 40 -16.119 -0.724 -35.815 1.00 74.10 H new ATOM 0 HD21 LEU A 40 -14.465 1.751 -35.023 1.00 15.14 H new ATOM 0 HD22 LEU A 40 -16.244 1.730 -35.084 1.00 15.14 H new ATOM 0 HD23 LEU A 40 -15.411 2.217 -33.589 1.00 15.14 H new ATOM 640 N PRO A 41 -20.178 -0.791 -34.116 1.00 62.34 N ATOM 641 CA PRO A 41 -21.328 -1.639 -33.789 1.00 23.51 C ATOM 642 C PRO A 41 -21.027 -3.122 -33.980 1.00 33.25 C ATOM 643 O PRO A 41 -21.757 -3.982 -33.485 1.00 40.30 O ATOM 644 CB PRO A 41 -22.401 -1.180 -34.779 1.00 2.31 C ATOM 645 CG PRO A 41 -21.639 -0.620 -35.930 1.00 52.23 C ATOM 646 CD PRO A 41 -20.394 -0.011 -35.347 1.00 31.45 C ATOM 0 HA PRO A 41 -21.623 -1.540 -32.744 1.00 23.51 H new ATOM 0 HB2 PRO A 41 -23.034 -2.011 -35.090 1.00 2.31 H new ATOM 0 HB3 PRO A 41 -23.055 -0.430 -34.334 1.00 2.31 H new ATOM 0 HG2 PRO A 41 -21.391 -1.400 -36.650 1.00 52.23 H new ATOM 0 HG3 PRO A 41 -22.228 0.128 -36.460 1.00 52.23 H new ATOM 0 HD2 PRO A 41 -19.548 -0.094 -36.029 1.00 31.45 H new ATOM 0 HD3 PRO A 41 -20.527 1.049 -35.133 1.00 31.45 H new ATOM 654 N ASP A 42 -19.949 -3.415 -34.698 1.00 52.04 N ATOM 655 CA ASP A 42 -19.551 -4.795 -34.953 1.00 14.31 C ATOM 656 C ASP A 42 -18.262 -5.134 -34.212 1.00 43.22 C ATOM 657 O ASP A 42 -17.566 -6.088 -34.561 1.00 41.22 O ATOM 658 CB ASP A 42 -19.368 -5.027 -36.454 1.00 14.44 C ATOM 659 CG ASP A 42 -18.004 -4.586 -36.945 1.00 64.33 C ATOM 660 OD1 ASP A 42 -17.504 -3.550 -36.460 1.00 3.31 O ATOM 661 OD2 ASP A 42 -17.435 -5.279 -37.815 1.00 1.22 O ATOM 0 H ASP A 42 -19.334 -2.715 -35.114 1.00 52.04 H new ATOM 0 HA ASP A 42 -20.342 -5.449 -34.587 1.00 14.31 H new ATOM 0 HB2 ASP A 42 -19.506 -6.086 -36.675 1.00 14.44 H new ATOM 0 HB3 ASP A 42 -20.140 -4.485 -36.999 1.00 14.44 H new ATOM 666 N TYR A 43 -17.948 -4.346 -33.190 1.00 34.25 N ATOM 667 CA TYR A 43 -16.740 -4.561 -32.402 1.00 14.34 C ATOM 668 C TYR A 43 -16.655 -6.005 -31.917 1.00 53.20 C ATOM 669 O TYR A 43 -15.568 -6.574 -31.814 1.00 34.51 O ATOM 670 CB TYR A 43 -16.710 -3.607 -31.206 1.00 32.20 C ATOM 671 CG TYR A 43 -17.692 -3.972 -30.116 1.00 11.24 C ATOM 672 CD1 TYR A 43 -19.058 -3.792 -30.296 1.00 32.33 C ATOM 673 CD2 TYR A 43 -17.254 -4.495 -28.905 1.00 52.23 C ATOM 674 CE1 TYR A 43 -19.959 -4.123 -29.302 1.00 72.41 C ATOM 675 CE2 TYR A 43 -18.148 -4.830 -27.907 1.00 20.12 C ATOM 676 CZ TYR A 43 -19.499 -4.642 -28.110 1.00 33.42 C ATOM 677 OH TYR A 43 -20.393 -4.974 -27.117 1.00 42.31 O ATOM 0 H TYR A 43 -18.513 -3.553 -32.888 1.00 34.25 H new ATOM 0 HA TYR A 43 -15.880 -4.360 -33.041 1.00 14.34 H new ATOM 0 HB2 TYR A 43 -15.704 -3.594 -30.787 1.00 32.20 H new ATOM 0 HB3 TYR A 43 -16.924 -2.596 -31.553 1.00 32.20 H new ATOM 0 HD1 TYR A 43 -19.422 -3.387 -31.229 1.00 32.33 H new ATOM 0 HD2 TYR A 43 -16.197 -4.642 -28.742 1.00 52.23 H new ATOM 0 HE1 TYR A 43 -21.018 -3.976 -29.458 1.00 72.41 H new ATOM 0 HE2 TYR A 43 -17.791 -5.237 -26.973 1.00 20.12 H new ATOM 0 HH TYR A 43 -19.906 -5.327 -26.343 1.00 42.31 H new ATOM 687 N HIS A 44 -17.811 -6.592 -31.621 1.00 43.12 N ATOM 688 CA HIS A 44 -17.869 -7.971 -31.148 1.00 44.45 C ATOM 689 C HIS A 44 -17.348 -8.932 -32.213 1.00 34.24 C ATOM 690 O HIS A 44 -16.677 -9.917 -31.901 1.00 14.31 O ATOM 691 CB HIS A 44 -19.302 -8.341 -30.767 1.00 20.15 C ATOM 692 CG HIS A 44 -19.393 -9.203 -29.545 1.00 4.11 C ATOM 693 ND1 HIS A 44 -20.028 -10.426 -29.532 1.00 75.45 N ATOM 694 CD2 HIS A 44 -18.921 -9.013 -28.290 1.00 55.43 C ATOM 695 CE1 HIS A 44 -19.946 -10.951 -28.323 1.00 11.43 C ATOM 696 NE2 HIS A 44 -19.279 -10.113 -27.550 1.00 43.30 N ATOM 0 H HIS A 44 -18.719 -6.135 -31.700 1.00 43.12 H new ATOM 0 HA HIS A 44 -17.234 -8.055 -30.266 1.00 44.45 H new ATOM 0 HB2 HIS A 44 -19.872 -7.427 -30.600 1.00 20.15 H new ATOM 0 HB3 HIS A 44 -19.769 -8.860 -31.604 1.00 20.15 H new ATOM 0 HD2 HIS A 44 -18.366 -8.156 -27.937 1.00 55.43 H new ATOM 0 HE1 HIS A 44 -20.355 -11.903 -28.018 1.00 11.43 H new ATOM 0 HE2 HIS A 44 -19.065 -10.259 -26.564 1.00 43.30 H new ATOM 704 N THR A 45 -17.663 -8.641 -33.471 1.00 61.12 N ATOM 705 CA THR A 45 -17.229 -9.480 -34.581 1.00 33.30 C ATOM 706 C THR A 45 -15.842 -9.077 -35.066 1.00 44.31 C ATOM 707 O THR A 45 -15.221 -9.783 -35.860 1.00 64.31 O ATOM 708 CB THR A 45 -18.216 -9.404 -35.762 1.00 24.34 C ATOM 709 OG1 THR A 45 -19.290 -8.512 -35.446 1.00 33.35 O ATOM 710 CG2 THR A 45 -18.773 -10.781 -36.091 1.00 22.01 C ATOM 0 H THR A 45 -18.217 -7.830 -33.747 1.00 61.12 H new ATOM 0 HA THR A 45 -17.197 -10.504 -34.209 1.00 33.30 H new ATOM 0 HB THR A 45 -17.678 -9.030 -36.633 1.00 24.34 H new ATOM 0 HG1 THR A 45 -19.912 -8.468 -36.202 1.00 33.35 H new ATOM 0 HG21 THR A 45 -19.467 -10.702 -36.928 1.00 22.01 H new ATOM 0 HG22 THR A 45 -17.955 -11.450 -36.360 1.00 22.01 H new ATOM 0 HG23 THR A 45 -19.296 -11.179 -35.222 1.00 22.01 H new ATOM 718 N VAL A 46 -15.360 -7.936 -34.583 1.00 44.11 N ATOM 719 CA VAL A 46 -14.044 -7.439 -34.966 1.00 45.14 C ATOM 720 C VAL A 46 -12.970 -7.922 -33.997 1.00 52.43 C ATOM 721 O VAL A 46 -11.955 -8.484 -34.409 1.00 73.14 O ATOM 722 CB VAL A 46 -14.018 -5.900 -35.018 1.00 51.24 C ATOM 723 CG1 VAL A 46 -12.631 -5.401 -35.392 1.00 43.22 C ATOM 724 CG2 VAL A 46 -15.061 -5.383 -35.998 1.00 13.15 C ATOM 0 H VAL A 46 -15.861 -7.339 -33.926 1.00 44.11 H new ATOM 0 HA VAL A 46 -13.835 -7.832 -35.961 1.00 45.14 H new ATOM 0 HB VAL A 46 -14.261 -5.516 -34.027 1.00 51.24 H new ATOM 0 HG11 VAL A 46 -12.633 -4.311 -35.424 1.00 43.22 H new ATOM 0 HG12 VAL A 46 -11.909 -5.741 -34.649 1.00 43.22 H new ATOM 0 HG13 VAL A 46 -12.356 -5.792 -36.371 1.00 43.22 H new ATOM 0 HG21 VAL A 46 -15.029 -4.294 -36.022 1.00 13.15 H new ATOM 0 HG22 VAL A 46 -14.851 -5.775 -36.993 1.00 13.15 H new ATOM 0 HG23 VAL A 46 -16.051 -5.710 -35.681 1.00 13.15 H new ATOM 734 N ILE A 47 -13.201 -7.698 -32.708 1.00 74.40 N ATOM 735 CA ILE A 47 -12.255 -8.112 -31.680 1.00 22.31 C ATOM 736 C ILE A 47 -12.930 -8.993 -30.634 1.00 5.02 C ATOM 737 O ILE A 47 -12.376 -10.008 -30.210 1.00 12.23 O ATOM 738 CB ILE A 47 -11.618 -6.898 -30.979 1.00 14.42 C ATOM 739 CG1 ILE A 47 -12.684 -5.844 -30.670 1.00 2.32 C ATOM 740 CG2 ILE A 47 -10.515 -6.306 -31.843 1.00 2.44 C ATOM 741 CD1 ILE A 47 -12.134 -4.611 -29.986 1.00 71.32 C ATOM 0 H ILE A 47 -14.035 -7.232 -32.351 1.00 74.40 H new ATOM 0 HA ILE A 47 -11.473 -8.682 -32.182 1.00 22.31 H new ATOM 0 HB ILE A 47 -11.177 -7.229 -30.039 1.00 14.42 H new ATOM 0 HG12 ILE A 47 -13.171 -5.548 -31.599 1.00 2.32 H new ATOM 0 HG13 ILE A 47 -13.451 -6.289 -30.037 1.00 2.32 H new ATOM 0 HG21 ILE A 47 -10.075 -5.449 -31.334 1.00 2.44 H new ATOM 0 HG22 ILE A 47 -9.746 -7.059 -32.018 1.00 2.44 H new ATOM 0 HG23 ILE A 47 -10.933 -5.986 -32.797 1.00 2.44 H new ATOM 0 HD11 ILE A 47 -12.945 -3.907 -29.798 1.00 71.32 H new ATOM 0 HD12 ILE A 47 -11.673 -4.895 -29.040 1.00 71.32 H new ATOM 0 HD13 ILE A 47 -11.388 -4.142 -30.627 1.00 71.32 H new ATOM 753 N LYS A 48 -14.130 -8.599 -30.222 1.00 62.10 N ATOM 754 CA LYS A 48 -14.884 -9.353 -29.228 1.00 23.34 C ATOM 755 C LYS A 48 -14.173 -9.335 -27.878 1.00 34.32 C ATOM 756 O LYS A 48 -14.509 -10.107 -26.979 1.00 41.11 O ATOM 757 CB LYS A 48 -15.079 -10.798 -29.694 1.00 14.24 C ATOM 758 CG LYS A 48 -16.461 -11.353 -29.391 1.00 43.41 C ATOM 759 CD LYS A 48 -16.651 -12.734 -29.994 1.00 22.31 C ATOM 760 CE LYS A 48 -17.386 -12.666 -31.324 1.00 13.05 C ATOM 761 NZ LYS A 48 -17.787 -14.017 -31.806 1.00 11.32 N ATOM 0 H LYS A 48 -14.602 -7.761 -30.562 1.00 62.10 H new ATOM 0 HA LYS A 48 -15.859 -8.880 -29.112 1.00 23.34 H new ATOM 0 HB2 LYS A 48 -14.902 -10.852 -30.768 1.00 14.24 H new ATOM 0 HB3 LYS A 48 -14.330 -11.429 -29.216 1.00 14.24 H new ATOM 0 HG2 LYS A 48 -16.605 -11.403 -28.312 1.00 43.41 H new ATOM 0 HG3 LYS A 48 -17.220 -10.676 -29.783 1.00 43.41 H new ATOM 0 HD2 LYS A 48 -15.679 -13.206 -30.138 1.00 22.31 H new ATOM 0 HD3 LYS A 48 -17.210 -13.361 -29.300 1.00 22.31 H new ATOM 0 HE2 LYS A 48 -18.272 -12.041 -31.218 1.00 13.05 H new ATOM 0 HE3 LYS A 48 -16.747 -12.190 -32.068 1.00 13.05 H new ATOM 0 HZ1 LYS A 48 -18.285 -13.928 -32.715 1.00 11.32 H new ATOM 0 HZ2 LYS A 48 -16.939 -14.606 -31.932 1.00 11.32 H new ATOM 0 HZ3 LYS A 48 -18.417 -14.462 -31.108 1.00 11.32 H new ATOM 775 N ARG A 49 -13.192 -8.449 -27.742 1.00 72.33 N ATOM 776 CA ARG A 49 -12.435 -8.331 -26.502 1.00 33.21 C ATOM 777 C ARG A 49 -12.428 -6.888 -26.005 1.00 65.50 C ATOM 778 O ARG A 49 -11.613 -6.066 -26.424 1.00 50.04 O ATOM 779 CB ARG A 49 -11.000 -8.819 -26.707 1.00 1.02 C ATOM 780 CG ARG A 49 -10.852 -10.329 -26.620 1.00 63.23 C ATOM 781 CD ARG A 49 -10.817 -10.804 -25.176 1.00 50.30 C ATOM 782 NE ARG A 49 -12.158 -11.021 -24.639 1.00 24.30 N ATOM 783 CZ ARG A 49 -12.403 -11.285 -23.360 1.00 72.15 C ATOM 784 NH1 ARG A 49 -11.404 -11.363 -22.492 1.00 71.14 N ATOM 785 NH2 ARG A 49 -13.651 -11.471 -22.948 1.00 4.11 N ATOM 0 H ARG A 49 -12.903 -7.802 -28.476 1.00 72.33 H new ATOM 0 HA ARG A 49 -12.919 -8.954 -25.749 1.00 33.21 H new ATOM 0 HB2 ARG A 49 -10.647 -8.483 -27.682 1.00 1.02 H new ATOM 0 HB3 ARG A 49 -10.357 -8.356 -25.958 1.00 1.02 H new ATOM 0 HG2 ARG A 49 -11.681 -10.807 -27.141 1.00 63.23 H new ATOM 0 HG3 ARG A 49 -9.937 -10.636 -27.127 1.00 63.23 H new ATOM 0 HD2 ARG A 49 -10.247 -11.731 -25.113 1.00 50.30 H new ATOM 0 HD3 ARG A 49 -10.296 -10.067 -24.564 1.00 50.30 H new ATOM 0 HE ARG A 49 -12.949 -10.967 -25.281 1.00 24.30 H new ATOM 0 HH11 ARG A 49 -10.444 -11.220 -22.805 1.00 71.14 H new ATOM 0 HH12 ARG A 49 -11.596 -11.566 -21.511 1.00 71.14 H new ATOM 0 HH21 ARG A 49 -14.422 -11.411 -23.613 1.00 4.11 H new ATOM 0 HH22 ARG A 49 -13.839 -11.674 -21.966 1.00 4.11 H new ATOM 799 N PRO A 50 -13.356 -6.572 -25.090 1.00 70.41 N ATOM 800 CA PRO A 50 -13.477 -5.229 -24.516 1.00 41.24 C ATOM 801 C PRO A 50 -12.311 -4.885 -23.595 1.00 53.35 C ATOM 802 O PRO A 50 -11.823 -5.735 -22.851 1.00 33.02 O ATOM 803 CB PRO A 50 -14.784 -5.299 -23.722 1.00 45.41 C ATOM 804 CG PRO A 50 -14.948 -6.741 -23.389 1.00 71.45 C ATOM 805 CD PRO A 50 -14.359 -7.502 -24.545 1.00 30.52 C ATOM 0 HA PRO A 50 -13.470 -4.455 -25.284 1.00 41.24 H new ATOM 0 HB2 PRO A 50 -14.733 -4.688 -22.821 1.00 45.41 H new ATOM 0 HB3 PRO A 50 -15.625 -4.930 -24.310 1.00 45.41 H new ATOM 0 HG2 PRO A 50 -14.437 -6.987 -22.458 1.00 71.45 H new ATOM 0 HG3 PRO A 50 -16.000 -6.993 -23.251 1.00 71.45 H new ATOM 0 HD2 PRO A 50 -13.905 -8.438 -24.220 1.00 30.52 H new ATOM 0 HD3 PRO A 50 -15.116 -7.756 -25.287 1.00 30.52 H new ATOM 813 N VAL A 51 -11.869 -3.632 -23.651 1.00 32.34 N ATOM 814 CA VAL A 51 -10.761 -3.175 -22.820 1.00 35.40 C ATOM 815 C VAL A 51 -11.089 -1.845 -22.150 1.00 61.54 C ATOM 816 O VAL A 51 -11.659 -0.949 -22.773 1.00 4.02 O ATOM 817 CB VAL A 51 -9.470 -3.018 -23.644 1.00 24.41 C ATOM 818 CG1 VAL A 51 -9.150 -4.306 -24.387 1.00 74.52 C ATOM 819 CG2 VAL A 51 -9.594 -1.851 -24.612 1.00 31.42 C ATOM 0 H VAL A 51 -12.261 -2.916 -24.263 1.00 32.34 H new ATOM 0 HA VAL A 51 -10.604 -3.935 -22.054 1.00 35.40 H new ATOM 0 HB VAL A 51 -8.647 -2.807 -22.961 1.00 24.41 H new ATOM 0 HG11 VAL A 51 -8.234 -4.175 -24.964 1.00 74.52 H new ATOM 0 HG12 VAL A 51 -9.015 -5.116 -23.670 1.00 74.52 H new ATOM 0 HG13 VAL A 51 -9.971 -4.551 -25.061 1.00 74.52 H new ATOM 0 HG21 VAL A 51 -8.672 -1.755 -25.186 1.00 31.42 H new ATOM 0 HG22 VAL A 51 -10.428 -2.029 -25.291 1.00 31.42 H new ATOM 0 HG23 VAL A 51 -9.771 -0.932 -24.053 1.00 31.42 H new ATOM 829 N ASP A 52 -10.725 -1.724 -20.879 1.00 23.44 N ATOM 830 CA ASP A 52 -10.978 -0.503 -20.124 1.00 11.23 C ATOM 831 C ASP A 52 -9.850 -0.233 -19.133 1.00 12.53 C ATOM 832 O ASP A 52 -9.150 -1.152 -18.706 1.00 73.14 O ATOM 833 CB ASP A 52 -12.312 -0.604 -19.382 1.00 50.52 C ATOM 834 CG ASP A 52 -13.352 -1.381 -20.164 1.00 61.44 C ATOM 835 OD1 ASP A 52 -13.239 -2.623 -20.229 1.00 20.24 O ATOM 836 OD2 ASP A 52 -14.278 -0.748 -20.713 1.00 73.32 O ATOM 0 H ASP A 52 -10.253 -2.457 -20.349 1.00 23.44 H new ATOM 0 HA ASP A 52 -11.025 0.327 -20.829 1.00 11.23 H new ATOM 0 HB2 ASP A 52 -12.152 -1.086 -18.417 1.00 50.52 H new ATOM 0 HB3 ASP A 52 -12.688 0.399 -19.179 1.00 50.52 H new ATOM 841 N LEU A 53 -9.679 1.034 -18.771 1.00 3.03 N ATOM 842 CA LEU A 53 -8.635 1.426 -17.830 1.00 43.22 C ATOM 843 C LEU A 53 -9.046 1.107 -16.396 1.00 44.33 C ATOM 844 O LEU A 53 -8.253 0.580 -15.616 1.00 12.45 O ATOM 845 CB LEU A 53 -8.333 2.920 -17.966 1.00 71.33 C ATOM 846 CG LEU A 53 -7.263 3.477 -17.027 1.00 31.33 C ATOM 847 CD1 LEU A 53 -5.873 3.220 -17.588 1.00 74.42 C ATOM 848 CD2 LEU A 53 -7.480 4.965 -16.794 1.00 64.05 C ATOM 0 H LEU A 53 -10.249 1.807 -19.114 1.00 3.03 H new ATOM 0 HA LEU A 53 -7.736 0.857 -18.066 1.00 43.22 H new ATOM 0 HB2 LEU A 53 -8.024 3.116 -18.993 1.00 71.33 H new ATOM 0 HB3 LEU A 53 -9.257 3.474 -17.800 1.00 71.33 H new ATOM 0 HG LEU A 53 -7.345 2.964 -16.069 1.00 31.33 H new ATOM 0 HD11 LEU A 53 -5.125 3.624 -16.906 1.00 74.42 H new ATOM 0 HD12 LEU A 53 -5.719 2.147 -17.702 1.00 74.42 H new ATOM 0 HD13 LEU A 53 -5.777 3.705 -18.559 1.00 74.42 H new ATOM 0 HD21 LEU A 53 -6.709 5.344 -16.123 1.00 64.05 H new ATOM 0 HD22 LEU A 53 -7.426 5.494 -17.745 1.00 64.05 H new ATOM 0 HD23 LEU A 53 -8.461 5.124 -16.346 1.00 64.05 H new ATOM 860 N SER A 54 -10.290 1.429 -16.058 1.00 31.55 N ATOM 861 CA SER A 54 -10.806 1.178 -14.717 1.00 33.20 C ATOM 862 C SER A 54 -10.945 -0.320 -14.460 1.00 13.43 C ATOM 863 O SER A 54 -10.686 -0.798 -13.355 1.00 51.43 O ATOM 864 CB SER A 54 -12.160 1.866 -14.532 1.00 2.44 C ATOM 865 OG SER A 54 -12.781 1.454 -13.326 1.00 41.34 O ATOM 0 H SER A 54 -10.959 1.864 -16.693 1.00 31.55 H new ATOM 0 HA SER A 54 -10.096 1.588 -13.999 1.00 33.20 H new ATOM 0 HB2 SER A 54 -12.024 2.947 -14.524 1.00 2.44 H new ATOM 0 HB3 SER A 54 -12.808 1.633 -15.377 1.00 2.44 H new ATOM 0 HG SER A 54 -13.644 1.909 -13.230 1.00 41.34 H new ATOM 871 N SER A 55 -11.357 -1.055 -15.488 1.00 5.30 N ATOM 872 CA SER A 55 -11.534 -2.497 -15.374 1.00 33.54 C ATOM 873 C SER A 55 -10.222 -3.178 -14.994 1.00 75.15 C ATOM 874 O SER A 55 -10.201 -4.092 -14.170 1.00 22.40 O ATOM 875 CB SER A 55 -12.059 -3.074 -16.690 1.00 12.10 C ATOM 876 OG SER A 55 -12.534 -4.397 -16.514 1.00 34.23 O ATOM 0 H SER A 55 -11.574 -0.675 -16.409 1.00 5.30 H new ATOM 0 HA SER A 55 -12.263 -2.687 -14.586 1.00 33.54 H new ATOM 0 HB2 SER A 55 -12.862 -2.444 -17.072 1.00 12.10 H new ATOM 0 HB3 SER A 55 -11.265 -3.066 -17.437 1.00 12.10 H new ATOM 0 HG SER A 55 -12.865 -4.742 -17.369 1.00 34.23 H new ATOM 882 N ILE A 56 -9.131 -2.725 -15.602 1.00 72.34 N ATOM 883 CA ILE A 56 -7.815 -3.289 -15.328 1.00 72.15 C ATOM 884 C ILE A 56 -7.380 -2.999 -13.896 1.00 51.21 C ATOM 885 O ILE A 56 -6.926 -3.892 -13.181 1.00 62.34 O ATOM 886 CB ILE A 56 -6.753 -2.737 -16.298 1.00 13.24 C ATOM 887 CG1 ILE A 56 -7.076 -3.154 -17.734 1.00 22.21 C ATOM 888 CG2 ILE A 56 -5.368 -3.222 -15.898 1.00 1.24 C ATOM 889 CD1 ILE A 56 -6.448 -2.259 -18.779 1.00 0.42 C ATOM 0 H ILE A 56 -9.132 -1.969 -16.287 1.00 72.34 H new ATOM 0 HA ILE A 56 -7.898 -4.367 -15.468 1.00 72.15 H new ATOM 0 HB ILE A 56 -6.765 -1.648 -16.245 1.00 13.24 H new ATOM 0 HG12 ILE A 56 -6.736 -4.177 -17.892 1.00 22.21 H new ATOM 0 HG13 ILE A 56 -8.158 -3.153 -17.869 1.00 22.21 H new ATOM 0 HG21 ILE A 56 -4.628 -2.824 -16.593 1.00 1.24 H new ATOM 0 HG22 ILE A 56 -5.140 -2.879 -14.889 1.00 1.24 H new ATOM 0 HG23 ILE A 56 -5.342 -4.311 -15.925 1.00 1.24 H new ATOM 0 HD11 ILE A 56 -6.720 -2.614 -19.773 1.00 0.42 H new ATOM 0 HD12 ILE A 56 -6.808 -1.238 -18.648 1.00 0.42 H new ATOM 0 HD13 ILE A 56 -5.364 -2.278 -18.670 1.00 0.42 H new ATOM 901 N ARG A 57 -7.524 -1.744 -13.483 1.00 1.14 N ATOM 902 CA ARG A 57 -7.146 -1.336 -12.135 1.00 14.50 C ATOM 903 C ARG A 57 -7.999 -2.051 -11.091 1.00 60.02 C ATOM 904 O ARG A 57 -7.501 -2.459 -10.042 1.00 23.20 O ATOM 905 CB ARG A 57 -7.294 0.179 -11.978 1.00 45.11 C ATOM 906 CG ARG A 57 -6.861 0.695 -10.616 1.00 3.15 C ATOM 907 CD ARG A 57 -5.415 0.330 -10.315 1.00 34.00 C ATOM 908 NE ARG A 57 -4.744 1.359 -9.525 1.00 63.25 N ATOM 909 CZ ARG A 57 -3.625 1.147 -8.841 1.00 72.41 C ATOM 910 NH1 ARG A 57 -3.056 -0.051 -8.850 1.00 2.31 N ATOM 911 NH2 ARG A 57 -3.074 2.133 -8.146 1.00 43.54 N ATOM 0 H ARG A 57 -7.899 -0.993 -14.062 1.00 1.14 H new ATOM 0 HA ARG A 57 -6.103 -1.611 -11.978 1.00 14.50 H new ATOM 0 HB2 ARG A 57 -6.705 0.675 -12.749 1.00 45.11 H new ATOM 0 HB3 ARG A 57 -8.335 0.453 -12.147 1.00 45.11 H new ATOM 0 HG2 ARG A 57 -6.979 1.778 -10.582 1.00 3.15 H new ATOM 0 HG3 ARG A 57 -7.510 0.280 -9.845 1.00 3.15 H new ATOM 0 HD2 ARG A 57 -5.385 -0.617 -9.777 1.00 34.00 H new ATOM 0 HD3 ARG A 57 -4.876 0.182 -11.251 1.00 34.00 H new ATOM 0 HE ARG A 57 -5.157 2.291 -9.497 1.00 63.25 H new ATOM 0 HH11 ARG A 57 -3.478 -0.812 -9.383 1.00 2.31 H new ATOM 0 HH12 ARG A 57 -2.197 -0.212 -8.324 1.00 2.31 H new ATOM 0 HH21 ARG A 57 -3.509 3.055 -8.136 1.00 43.54 H new ATOM 0 HH22 ARG A 57 -2.215 1.969 -7.621 1.00 43.54 H new ATOM 925 N ASP A 58 -9.286 -2.199 -11.386 1.00 43.43 N ATOM 926 CA ASP A 58 -10.208 -2.865 -10.474 1.00 62.10 C ATOM 927 C ASP A 58 -9.958 -4.370 -10.452 1.00 4.23 C ATOM 928 O ASP A 58 -10.041 -5.008 -9.403 1.00 51.31 O ATOM 929 CB ASP A 58 -11.655 -2.582 -10.881 1.00 22.23 C ATOM 930 CG ASP A 58 -12.656 -3.275 -9.977 1.00 51.32 C ATOM 931 OD1 ASP A 58 -12.852 -4.497 -10.137 1.00 74.41 O ATOM 932 OD2 ASP A 58 -13.244 -2.594 -9.111 1.00 11.22 O ATOM 0 H ASP A 58 -9.714 -1.866 -12.250 1.00 43.43 H new ATOM 0 HA ASP A 58 -10.037 -2.471 -9.472 1.00 62.10 H new ATOM 0 HB2 ASP A 58 -11.832 -1.507 -10.858 1.00 22.23 H new ATOM 0 HB3 ASP A 58 -11.811 -2.909 -11.909 1.00 22.23 H new ATOM 937 N GLY A 59 -9.651 -4.931 -11.617 1.00 71.24 N ATOM 938 CA GLY A 59 -9.395 -6.357 -11.710 1.00 3.43 C ATOM 939 C GLY A 59 -8.161 -6.775 -10.935 1.00 20.22 C ATOM 940 O GLY A 59 -8.162 -7.807 -10.263 1.00 75.21 O ATOM 0 H GLY A 59 -9.575 -4.424 -12.499 1.00 71.24 H new ATOM 0 HA2 GLY A 59 -10.260 -6.904 -11.333 1.00 3.43 H new ATOM 0 HA3 GLY A 59 -9.274 -6.634 -12.757 1.00 3.43 H new ATOM 944 N ILE A 60 -7.105 -5.974 -11.029 1.00 71.10 N ATOM 945 CA ILE A 60 -5.859 -6.268 -10.332 1.00 14.14 C ATOM 946 C ILE A 60 -6.036 -6.157 -8.821 1.00 4.40 C ATOM 947 O ILE A 60 -5.608 -7.033 -8.071 1.00 34.33 O ATOM 948 CB ILE A 60 -4.729 -5.322 -10.776 1.00 44.42 C ATOM 949 CG1 ILE A 60 -4.391 -5.552 -12.251 1.00 32.23 C ATOM 950 CG2 ILE A 60 -3.496 -5.524 -9.907 1.00 53.13 C ATOM 951 CD1 ILE A 60 -3.778 -6.907 -12.525 1.00 63.34 C ATOM 0 H ILE A 60 -7.087 -5.116 -11.581 1.00 71.10 H new ATOM 0 HA ILE A 60 -5.587 -7.291 -10.590 1.00 14.14 H new ATOM 0 HB ILE A 60 -5.069 -4.293 -10.657 1.00 44.42 H new ATOM 0 HG12 ILE A 60 -5.299 -5.446 -12.844 1.00 32.23 H new ATOM 0 HG13 ILE A 60 -3.701 -4.776 -12.583 1.00 32.23 H new ATOM 0 HG21 ILE A 60 -2.706 -4.848 -10.234 1.00 53.13 H new ATOM 0 HG22 ILE A 60 -3.746 -5.315 -8.867 1.00 53.13 H new ATOM 0 HG23 ILE A 60 -3.152 -6.554 -9.997 1.00 53.13 H new ATOM 0 HD11 ILE A 60 -3.564 -7.001 -13.590 1.00 63.34 H new ATOM 0 HD12 ILE A 60 -2.852 -7.009 -11.959 1.00 63.34 H new ATOM 0 HD13 ILE A 60 -4.475 -7.689 -12.224 1.00 63.34 H new ATOM 963 N GLU A 61 -6.669 -5.073 -8.383 1.00 34.33 N ATOM 964 CA GLU A 61 -6.903 -4.849 -6.961 1.00 51.41 C ATOM 965 C GLU A 61 -7.858 -5.895 -6.394 1.00 70.35 C ATOM 966 O GLU A 61 -7.803 -6.227 -5.210 1.00 65.11 O ATOM 967 CB GLU A 61 -7.471 -3.446 -6.730 1.00 65.52 C ATOM 968 CG GLU A 61 -6.404 -2.389 -6.496 1.00 75.32 C ATOM 969 CD GLU A 61 -6.898 -1.245 -5.633 1.00 3.52 C ATOM 970 OE1 GLU A 61 -7.428 -1.514 -4.535 1.00 23.21 O ATOM 971 OE2 GLU A 61 -6.753 -0.078 -6.056 1.00 30.32 O ATOM 0 H GLU A 61 -7.028 -4.337 -8.991 1.00 34.33 H new ATOM 0 HA GLU A 61 -5.947 -4.937 -6.444 1.00 51.41 H new ATOM 0 HB2 GLU A 61 -8.071 -3.159 -7.593 1.00 65.52 H new ATOM 0 HB3 GLU A 61 -8.141 -3.471 -5.870 1.00 65.52 H new ATOM 0 HG2 GLU A 61 -5.538 -2.850 -6.021 1.00 75.32 H new ATOM 0 HG3 GLU A 61 -6.069 -1.997 -7.456 1.00 75.32 H new ATOM 978 N LYS A 62 -8.735 -6.412 -7.249 1.00 4.10 N ATOM 979 CA LYS A 62 -9.702 -7.421 -6.836 1.00 74.43 C ATOM 980 C LYS A 62 -9.136 -8.826 -7.021 1.00 52.32 C ATOM 981 O LYS A 62 -9.668 -9.796 -6.482 1.00 44.44 O ATOM 982 CB LYS A 62 -10.998 -7.273 -7.637 1.00 50.02 C ATOM 983 CG LYS A 62 -11.763 -5.999 -7.325 1.00 52.53 C ATOM 984 CD LYS A 62 -12.404 -6.056 -5.949 1.00 14.31 C ATOM 985 CE LYS A 62 -12.336 -4.709 -5.246 1.00 4.14 C ATOM 986 NZ LYS A 62 -13.647 -4.325 -4.653 1.00 42.01 N ATOM 0 H LYS A 62 -8.795 -6.148 -8.232 1.00 4.10 H new ATOM 0 HA LYS A 62 -9.916 -7.271 -5.778 1.00 74.43 H new ATOM 0 HB2 LYS A 62 -10.762 -7.294 -8.701 1.00 50.02 H new ATOM 0 HB3 LYS A 62 -11.640 -8.131 -7.436 1.00 50.02 H new ATOM 0 HG2 LYS A 62 -11.087 -5.146 -7.377 1.00 52.53 H new ATOM 0 HG3 LYS A 62 -12.533 -5.842 -8.080 1.00 52.53 H new ATOM 0 HD2 LYS A 62 -13.445 -6.366 -6.044 1.00 14.31 H new ATOM 0 HD3 LYS A 62 -11.901 -6.810 -5.343 1.00 14.31 H new ATOM 0 HE2 LYS A 62 -11.580 -4.747 -4.462 1.00 4.14 H new ATOM 0 HE3 LYS A 62 -12.021 -3.944 -5.956 1.00 4.14 H new ATOM 0 HZ1 LYS A 62 -13.558 -3.401 -4.183 1.00 42.01 H new ATOM 0 HZ2 LYS A 62 -14.363 -4.264 -5.404 1.00 42.01 H new ATOM 0 HZ3 LYS A 62 -13.936 -5.041 -3.956 1.00 42.01 H new ATOM 1000 N GLY A 63 -8.053 -8.926 -7.786 1.00 30.41 N ATOM 1001 CA GLY A 63 -7.432 -10.216 -8.027 1.00 12.14 C ATOM 1002 C GLY A 63 -8.248 -11.087 -8.961 1.00 50.44 C ATOM 1003 O GLY A 63 -8.184 -12.315 -8.894 1.00 1.45 O ATOM 0 H GLY A 63 -7.595 -8.138 -8.243 1.00 30.41 H new ATOM 0 HA2 GLY A 63 -6.439 -10.064 -8.451 1.00 12.14 H new ATOM 0 HA3 GLY A 63 -7.297 -10.734 -7.077 1.00 12.14 H new ATOM 1007 N THR A 64 -9.020 -10.451 -9.837 1.00 50.33 N ATOM 1008 CA THR A 64 -9.854 -11.175 -10.788 1.00 13.11 C ATOM 1009 C THR A 64 -9.082 -12.316 -11.439 1.00 61.41 C ATOM 1010 O THR A 64 -9.635 -13.386 -11.696 1.00 51.13 O ATOM 1011 CB THR A 64 -10.393 -10.241 -11.888 1.00 64.02 C ATOM 1012 OG1 THR A 64 -11.102 -9.146 -11.298 1.00 33.42 O ATOM 1013 CG2 THR A 64 -11.312 -10.996 -12.836 1.00 52.34 C ATOM 0 H THR A 64 -9.085 -9.435 -9.907 1.00 50.33 H new ATOM 0 HA THR A 64 -10.694 -11.583 -10.225 1.00 13.11 H new ATOM 0 HB THR A 64 -9.545 -9.859 -12.457 1.00 64.02 H new ATOM 0 HG1 THR A 64 -11.573 -8.646 -11.997 1.00 33.42 H new ATOM 0 HG21 THR A 64 -11.680 -10.316 -13.604 1.00 52.34 H new ATOM 0 HG22 THR A 64 -10.760 -11.810 -13.306 1.00 52.34 H new ATOM 0 HG23 THR A 64 -12.155 -11.404 -12.278 1.00 52.34 H new ATOM 1021 N TYR A 65 -7.801 -12.083 -11.703 1.00 12.02 N ATOM 1022 CA TYR A 65 -6.953 -13.092 -12.326 1.00 1.00 C ATOM 1023 C TYR A 65 -6.881 -14.350 -11.466 1.00 72.10 C ATOM 1024 O TYR A 65 -7.583 -14.470 -10.462 1.00 43.01 O ATOM 1025 CB TYR A 65 -5.546 -12.536 -12.554 1.00 54.20 C ATOM 1026 CG TYR A 65 -5.507 -11.361 -13.505 1.00 4.22 C ATOM 1027 CD1 TYR A 65 -5.780 -10.073 -13.061 1.00 33.00 C ATOM 1028 CD2 TYR A 65 -5.194 -11.539 -14.847 1.00 53.41 C ATOM 1029 CE1 TYR A 65 -5.746 -8.997 -13.926 1.00 42.14 C ATOM 1030 CE2 TYR A 65 -5.156 -10.468 -15.719 1.00 51.04 C ATOM 1031 CZ TYR A 65 -5.433 -9.199 -15.254 1.00 71.34 C ATOM 1032 OH TYR A 65 -5.396 -8.130 -16.119 1.00 53.34 O ATOM 0 H TYR A 65 -7.327 -11.204 -11.495 1.00 12.02 H new ATOM 0 HA TYR A 65 -7.393 -13.356 -13.288 1.00 1.00 H new ATOM 0 HB2 TYR A 65 -5.125 -12.232 -11.596 1.00 54.20 H new ATOM 0 HB3 TYR A 65 -4.909 -13.330 -12.944 1.00 54.20 H new ATOM 0 HD1 TYR A 65 -6.023 -9.911 -12.021 1.00 33.00 H new ATOM 0 HD2 TYR A 65 -4.977 -12.531 -15.215 1.00 53.41 H new ATOM 0 HE1 TYR A 65 -5.963 -8.003 -13.565 1.00 42.14 H new ATOM 0 HE2 TYR A 65 -4.911 -10.623 -16.759 1.00 51.04 H new ATOM 0 HH TYR A 65 -5.159 -8.444 -17.017 1.00 53.34 H new ATOM 1042 N ALA A 66 -6.027 -15.286 -11.868 1.00 11.41 N ATOM 1043 CA ALA A 66 -5.860 -16.534 -11.134 1.00 14.11 C ATOM 1044 C ALA A 66 -4.388 -16.809 -10.846 1.00 74.23 C ATOM 1045 O ALA A 66 -4.035 -17.294 -9.771 1.00 2.02 O ATOM 1046 CB ALA A 66 -6.473 -17.689 -11.912 1.00 33.25 C ATOM 0 H ALA A 66 -5.440 -15.203 -12.698 1.00 11.41 H new ATOM 0 HA ALA A 66 -6.377 -16.438 -10.179 1.00 14.11 H new ATOM 0 HB1 ALA A 66 -6.341 -18.615 -11.352 1.00 33.25 H new ATOM 0 HB2 ALA A 66 -7.537 -17.503 -12.061 1.00 33.25 H new ATOM 0 HB3 ALA A 66 -5.981 -17.777 -12.881 1.00 33.25 H new ATOM 1052 N THR A 67 -3.532 -16.498 -11.815 1.00 14.33 N ATOM 1053 CA THR A 67 -2.099 -16.713 -11.666 1.00 62.31 C ATOM 1054 C THR A 67 -1.323 -16.057 -12.803 1.00 34.31 C ATOM 1055 O THR A 67 -1.893 -15.330 -13.617 1.00 21.21 O ATOM 1056 CB THR A 67 -1.758 -18.215 -11.627 1.00 4.13 C ATOM 1057 OG1 THR A 67 -2.949 -18.992 -11.788 1.00 32.41 O ATOM 1058 CG2 THR A 67 -1.080 -18.582 -10.315 1.00 12.31 C ATOM 0 H THR A 67 -3.807 -16.096 -12.711 1.00 14.33 H new ATOM 0 HA THR A 67 -1.807 -16.256 -10.720 1.00 62.31 H new ATOM 0 HB THR A 67 -1.071 -18.431 -12.445 1.00 4.13 H new ATOM 0 HG1 THR A 67 -2.723 -19.945 -11.764 1.00 32.41 H new ATOM 0 HG21 THR A 67 -0.849 -19.647 -10.310 1.00 12.31 H new ATOM 0 HG22 THR A 67 -0.158 -18.010 -10.209 1.00 12.31 H new ATOM 0 HG23 THR A 67 -1.747 -18.352 -9.484 1.00 12.31 H new ATOM 1066 N ASP A 68 -0.022 -16.319 -12.853 1.00 60.12 N ATOM 1067 CA ASP A 68 0.832 -15.755 -13.892 1.00 73.03 C ATOM 1068 C ASP A 68 0.354 -16.180 -15.278 1.00 4.34 C ATOM 1069 O ASP A 68 0.465 -15.423 -16.243 1.00 31.43 O ATOM 1070 CB ASP A 68 2.282 -16.192 -13.683 1.00 5.20 C ATOM 1071 CG ASP A 68 2.406 -17.677 -13.407 1.00 72.52 C ATOM 1072 OD1 ASP A 68 2.451 -18.459 -14.380 1.00 32.22 O ATOM 1073 OD2 ASP A 68 2.456 -18.059 -12.219 1.00 5.52 O ATOM 0 H ASP A 68 0.465 -16.918 -12.186 1.00 60.12 H new ATOM 0 HA ASP A 68 0.775 -14.669 -13.825 1.00 73.03 H new ATOM 0 HB2 ASP A 68 2.865 -15.940 -14.569 1.00 5.20 H new ATOM 0 HB3 ASP A 68 2.710 -15.634 -12.850 1.00 5.20 H new ATOM 1078 N VAL A 69 -0.176 -17.395 -15.368 1.00 62.34 N ATOM 1079 CA VAL A 69 -0.670 -17.921 -16.635 1.00 60.14 C ATOM 1080 C VAL A 69 -1.896 -17.149 -17.110 1.00 31.32 C ATOM 1081 O VAL A 69 -1.959 -16.709 -18.258 1.00 13.23 O ATOM 1082 CB VAL A 69 -1.029 -19.414 -16.521 1.00 74.43 C ATOM 1083 CG1 VAL A 69 -1.611 -19.925 -17.831 1.00 20.43 C ATOM 1084 CG2 VAL A 69 0.192 -20.227 -16.118 1.00 10.30 C ATOM 0 H VAL A 69 -0.274 -18.034 -14.579 1.00 62.34 H new ATOM 0 HA VAL A 69 0.134 -17.803 -17.362 1.00 60.14 H new ATOM 0 HB VAL A 69 -1.786 -19.529 -15.745 1.00 74.43 H new ATOM 0 HG11 VAL A 69 -1.859 -20.982 -17.731 1.00 20.43 H new ATOM 0 HG12 VAL A 69 -2.513 -19.362 -18.073 1.00 20.43 H new ATOM 0 HG13 VAL A 69 -0.879 -19.797 -18.629 1.00 20.43 H new ATOM 0 HG21 VAL A 69 -0.081 -21.280 -16.042 1.00 10.30 H new ATOM 0 HG22 VAL A 69 0.973 -20.107 -16.869 1.00 10.30 H new ATOM 0 HG23 VAL A 69 0.560 -19.877 -15.153 1.00 10.30 H new ATOM 1094 N ASP A 70 -2.868 -16.989 -16.219 1.00 13.31 N ATOM 1095 CA ASP A 70 -4.093 -16.268 -16.545 1.00 74.15 C ATOM 1096 C ASP A 70 -3.789 -14.821 -16.919 1.00 13.44 C ATOM 1097 O ASP A 70 -4.423 -14.251 -17.807 1.00 71.23 O ATOM 1098 CB ASP A 70 -5.065 -16.310 -15.365 1.00 73.32 C ATOM 1099 CG ASP A 70 -6.403 -15.677 -15.694 1.00 21.11 C ATOM 1100 OD1 ASP A 70 -7.283 -16.389 -16.223 1.00 3.32 O ATOM 1101 OD2 ASP A 70 -6.570 -14.470 -15.421 1.00 74.24 O ATOM 0 H ASP A 70 -2.832 -17.349 -15.265 1.00 13.31 H new ATOM 0 HA ASP A 70 -4.555 -16.756 -17.403 1.00 74.15 H new ATOM 0 HB2 ASP A 70 -5.221 -17.346 -15.063 1.00 73.32 H new ATOM 0 HB3 ASP A 70 -4.621 -15.793 -14.514 1.00 73.32 H new ATOM 1106 N VAL A 71 -2.816 -14.230 -16.233 1.00 1.14 N ATOM 1107 CA VAL A 71 -2.428 -12.849 -16.492 1.00 5.44 C ATOM 1108 C VAL A 71 -1.769 -12.710 -17.860 1.00 32.23 C ATOM 1109 O VAL A 71 -2.071 -11.786 -18.613 1.00 55.45 O ATOM 1110 CB VAL A 71 -1.460 -12.326 -15.413 1.00 40.02 C ATOM 1111 CG1 VAL A 71 -0.940 -10.946 -15.786 1.00 23.11 C ATOM 1112 CG2 VAL A 71 -2.142 -12.298 -14.054 1.00 35.31 C ATOM 0 H VAL A 71 -2.282 -14.686 -15.493 1.00 1.14 H new ATOM 0 HA VAL A 71 -3.341 -12.255 -16.470 1.00 5.44 H new ATOM 0 HB VAL A 71 -0.609 -13.005 -15.353 1.00 40.02 H new ATOM 0 HG11 VAL A 71 -0.258 -10.593 -15.013 1.00 23.11 H new ATOM 0 HG12 VAL A 71 -0.412 -11.001 -16.738 1.00 23.11 H new ATOM 0 HG13 VAL A 71 -1.777 -10.254 -15.875 1.00 23.11 H new ATOM 0 HG21 VAL A 71 -1.444 -11.926 -13.304 1.00 35.31 H new ATOM 0 HG22 VAL A 71 -3.012 -11.642 -14.097 1.00 35.31 H new ATOM 0 HG23 VAL A 71 -2.460 -13.305 -13.786 1.00 35.31 H new ATOM 1122 N GLN A 72 -0.868 -13.636 -18.173 1.00 54.21 N ATOM 1123 CA GLN A 72 -0.167 -13.616 -19.451 1.00 61.52 C ATOM 1124 C GLN A 72 -1.143 -13.784 -20.611 1.00 14.22 C ATOM 1125 O GLN A 72 -1.005 -13.139 -21.649 1.00 50.12 O ATOM 1126 CB GLN A 72 0.889 -14.723 -19.494 1.00 52.44 C ATOM 1127 CG GLN A 72 1.595 -14.838 -20.836 1.00 0.34 C ATOM 1128 CD GLN A 72 1.460 -16.217 -21.450 1.00 23.13 C ATOM 1129 OE1 GLN A 72 1.298 -17.211 -20.742 1.00 25.45 O ATOM 1130 NE2 GLN A 72 1.526 -16.285 -22.774 1.00 43.22 N ATOM 0 H GLN A 72 -0.607 -14.408 -17.560 1.00 54.21 H new ATOM 0 HA GLN A 72 0.325 -12.649 -19.552 1.00 61.52 H new ATOM 0 HB2 GLN A 72 1.631 -14.537 -18.717 1.00 52.44 H new ATOM 0 HB3 GLN A 72 0.414 -15.676 -19.260 1.00 52.44 H new ATOM 0 HG2 GLN A 72 1.185 -14.097 -21.522 1.00 0.34 H new ATOM 0 HG3 GLN A 72 2.652 -14.603 -20.708 1.00 0.34 H new ATOM 0 HE21 GLN A 72 1.661 -15.436 -23.322 1.00 43.22 H new ATOM 0 HE22 GLN A 72 1.441 -17.187 -23.243 1.00 43.22 H new ATOM 1139 N ASN A 73 -2.130 -14.654 -20.426 1.00 35.43 N ATOM 1140 CA ASN A 73 -3.130 -14.907 -21.457 1.00 60.23 C ATOM 1141 C ASN A 73 -4.054 -13.705 -21.625 1.00 75.22 C ATOM 1142 O ASN A 73 -4.436 -13.354 -22.742 1.00 11.23 O ATOM 1143 CB ASN A 73 -3.950 -16.151 -21.108 1.00 51.22 C ATOM 1144 CG ASN A 73 -5.267 -16.204 -21.858 1.00 71.11 C ATOM 1145 OD1 ASN A 73 -5.337 -16.712 -22.977 1.00 43.14 O ATOM 1146 ND2 ASN A 73 -6.320 -15.678 -21.243 1.00 22.11 N ATOM 0 H ASN A 73 -2.259 -15.196 -19.572 1.00 35.43 H new ATOM 0 HA ASN A 73 -2.609 -15.077 -22.399 1.00 60.23 H new ATOM 0 HB2 ASN A 73 -3.368 -17.043 -21.338 1.00 51.22 H new ATOM 0 HB3 ASN A 73 -4.145 -16.165 -20.036 1.00 51.22 H new ATOM 0 HD21 ASN A 73 -7.233 -15.685 -21.698 1.00 22.11 H new ATOM 0 HD22 ASN A 73 -6.216 -15.267 -20.315 1.00 22.11 H new ATOM 1153 N ASP A 74 -4.410 -13.079 -20.509 1.00 1.11 N ATOM 1154 CA ASP A 74 -5.288 -11.915 -20.532 1.00 13.03 C ATOM 1155 C ASP A 74 -4.640 -10.760 -21.289 1.00 12.12 C ATOM 1156 O ASP A 74 -5.248 -10.171 -22.183 1.00 31.03 O ATOM 1157 CB ASP A 74 -5.630 -11.479 -19.106 1.00 44.00 C ATOM 1158 CG ASP A 74 -7.038 -10.930 -18.990 1.00 40.00 C ATOM 1159 OD1 ASP A 74 -7.992 -11.737 -18.990 1.00 4.31 O ATOM 1160 OD2 ASP A 74 -7.187 -9.694 -18.898 1.00 44.45 O ATOM 0 H ASP A 74 -4.104 -13.358 -19.577 1.00 1.11 H new ATOM 0 HA ASP A 74 -6.207 -12.194 -21.048 1.00 13.03 H new ATOM 0 HB2 ASP A 74 -5.518 -12.329 -18.433 1.00 44.00 H new ATOM 0 HB3 ASP A 74 -4.919 -10.719 -18.781 1.00 44.00 H new ATOM 1165 N VAL A 75 -3.403 -10.440 -20.924 1.00 24.21 N ATOM 1166 CA VAL A 75 -2.672 -9.356 -21.568 1.00 43.43 C ATOM 1167 C VAL A 75 -2.417 -9.663 -23.040 1.00 5.15 C ATOM 1168 O VAL A 75 -2.557 -8.794 -23.899 1.00 53.32 O ATOM 1169 CB VAL A 75 -1.325 -9.093 -20.869 1.00 22.22 C ATOM 1170 CG1 VAL A 75 -1.548 -8.569 -19.459 1.00 14.24 C ATOM 1171 CG2 VAL A 75 -0.480 -10.358 -20.848 1.00 72.34 C ATOM 0 H VAL A 75 -2.886 -10.917 -20.185 1.00 24.21 H new ATOM 0 HA VAL A 75 -3.294 -8.464 -21.488 1.00 43.43 H new ATOM 0 HB VAL A 75 -0.786 -8.332 -21.433 1.00 22.22 H new ATOM 0 HG11 VAL A 75 -0.585 -8.389 -18.981 1.00 14.24 H new ATOM 0 HG12 VAL A 75 -2.111 -7.637 -19.502 1.00 14.24 H new ATOM 0 HG13 VAL A 75 -2.108 -9.305 -18.882 1.00 14.24 H new ATOM 0 HG21 VAL A 75 0.468 -10.154 -20.350 1.00 72.34 H new ATOM 0 HG22 VAL A 75 -1.012 -11.142 -20.308 1.00 72.34 H new ATOM 0 HG23 VAL A 75 -0.290 -10.686 -21.870 1.00 72.34 H new ATOM 1181 N ALA A 76 -2.041 -10.906 -23.322 1.00 42.01 N ATOM 1182 CA ALA A 76 -1.768 -11.329 -24.690 1.00 33.40 C ATOM 1183 C ALA A 76 -2.980 -11.100 -25.587 1.00 63.03 C ATOM 1184 O ALA A 76 -2.858 -10.552 -26.683 1.00 25.10 O ATOM 1185 CB ALA A 76 -1.359 -12.794 -24.717 1.00 63.43 C ATOM 0 H ALA A 76 -1.919 -11.637 -22.622 1.00 42.01 H new ATOM 0 HA ALA A 76 -0.945 -10.726 -25.074 1.00 33.40 H new ATOM 0 HB1 ALA A 76 -1.158 -13.097 -25.745 1.00 63.43 H new ATOM 0 HB2 ALA A 76 -0.460 -12.932 -24.116 1.00 63.43 H new ATOM 0 HB3 ALA A 76 -2.165 -13.404 -24.310 1.00 63.43 H new ATOM 1191 N ARG A 77 -4.148 -11.523 -25.116 1.00 30.21 N ATOM 1192 CA ARG A 77 -5.381 -11.365 -25.877 1.00 74.31 C ATOM 1193 C ARG A 77 -5.752 -9.891 -26.012 1.00 33.32 C ATOM 1194 O ARG A 77 -6.253 -9.460 -27.050 1.00 12.33 O ATOM 1195 CB ARG A 77 -6.523 -12.130 -25.204 1.00 3.11 C ATOM 1196 CG ARG A 77 -6.885 -13.427 -25.908 1.00 31.32 C ATOM 1197 CD ARG A 77 -8.391 -13.574 -26.065 1.00 65.01 C ATOM 1198 NE ARG A 77 -8.747 -14.757 -26.844 1.00 23.12 N ATOM 1199 CZ ARG A 77 -9.989 -15.212 -26.962 1.00 70.31 C ATOM 1200 NH1 ARG A 77 -10.988 -14.587 -26.356 1.00 55.51 N ATOM 1201 NH2 ARG A 77 -10.234 -16.296 -27.688 1.00 44.55 N ATOM 0 H ARG A 77 -4.266 -11.978 -24.211 1.00 30.21 H new ATOM 0 HA ARG A 77 -5.217 -11.773 -26.874 1.00 74.31 H new ATOM 0 HB2 ARG A 77 -6.243 -12.351 -24.174 1.00 3.11 H new ATOM 0 HB3 ARG A 77 -7.404 -11.490 -25.164 1.00 3.11 H new ATOM 0 HG2 ARG A 77 -6.411 -13.454 -26.889 1.00 31.32 H new ATOM 0 HG3 ARG A 77 -6.493 -14.272 -25.341 1.00 31.32 H new ATOM 0 HD2 ARG A 77 -8.854 -13.636 -25.080 1.00 65.01 H new ATOM 0 HD3 ARG A 77 -8.793 -12.685 -26.551 1.00 65.01 H new ATOM 0 HE ARG A 77 -8.001 -15.261 -27.323 1.00 23.12 H new ATOM 0 HH11 ARG A 77 -10.804 -13.754 -25.797 1.00 55.51 H new ATOM 0 HH12 ARG A 77 -11.941 -14.939 -26.449 1.00 55.51 H new ATOM 0 HH21 ARG A 77 -9.468 -16.780 -28.156 1.00 44.55 H new ATOM 0 HH22 ARG A 77 -11.188 -16.645 -27.778 1.00 44.55 H new ATOM 1215 N MET A 78 -5.503 -9.125 -24.955 1.00 51.21 N ATOM 1216 CA MET A 78 -5.810 -7.699 -24.956 1.00 73.22 C ATOM 1217 C MET A 78 -5.050 -6.980 -26.066 1.00 22.03 C ATOM 1218 O MET A 78 -5.627 -6.192 -26.816 1.00 25.10 O ATOM 1219 CB MET A 78 -5.464 -7.080 -23.601 1.00 32.24 C ATOM 1220 CG MET A 78 -6.312 -5.868 -23.252 1.00 41.51 C ATOM 1221 SD MET A 78 -7.363 -6.145 -21.813 1.00 42.14 S ATOM 1222 CE MET A 78 -8.164 -7.680 -22.270 1.00 61.33 C ATOM 0 H MET A 78 -5.090 -9.467 -24.087 1.00 51.21 H new ATOM 0 HA MET A 78 -6.878 -7.583 -25.138 1.00 73.22 H new ATOM 0 HB2 MET A 78 -5.587 -7.835 -22.824 1.00 32.24 H new ATOM 0 HB3 MET A 78 -4.413 -6.790 -23.601 1.00 32.24 H new ATOM 0 HG2 MET A 78 -5.660 -5.016 -23.062 1.00 41.51 H new ATOM 0 HG3 MET A 78 -6.935 -5.607 -24.107 1.00 41.51 H new ATOM 0 HE1 MET A 78 -9.135 -7.744 -21.779 1.00 61.33 H new ATOM 0 HE2 MET A 78 -8.301 -7.711 -23.351 1.00 61.33 H new ATOM 0 HE3 MET A 78 -7.544 -8.521 -21.959 1.00 61.33 H new ATOM 1232 N ILE A 79 -3.754 -7.256 -26.164 1.00 3.04 N ATOM 1233 CA ILE A 79 -2.916 -6.635 -27.182 1.00 62.41 C ATOM 1234 C ILE A 79 -3.300 -7.115 -28.578 1.00 35.25 C ATOM 1235 O ILE A 79 -3.367 -6.327 -29.521 1.00 53.14 O ATOM 1236 CB ILE A 79 -1.424 -6.934 -26.942 1.00 50.51 C ATOM 1237 CG1 ILE A 79 -0.851 -5.972 -25.899 1.00 43.12 C ATOM 1238 CG2 ILE A 79 -0.647 -6.833 -28.246 1.00 74.45 C ATOM 1239 CD1 ILE A 79 -1.253 -6.309 -24.481 1.00 23.34 C ATOM 0 H ILE A 79 -3.262 -7.906 -25.551 1.00 3.04 H new ATOM 0 HA ILE A 79 -3.079 -5.560 -27.112 1.00 62.41 H new ATOM 0 HB ILE A 79 -1.329 -7.951 -26.563 1.00 50.51 H new ATOM 0 HG12 ILE A 79 0.237 -5.977 -25.971 1.00 43.12 H new ATOM 0 HG13 ILE A 79 -1.181 -4.959 -26.131 1.00 43.12 H new ATOM 0 HG21 ILE A 79 0.405 -7.047 -28.060 1.00 74.45 H new ATOM 0 HG22 ILE A 79 -1.043 -7.553 -28.962 1.00 74.45 H new ATOM 0 HG23 ILE A 79 -0.746 -5.826 -28.652 1.00 74.45 H new ATOM 0 HD11 ILE A 79 -0.811 -5.586 -23.796 1.00 23.34 H new ATOM 0 HD12 ILE A 79 -2.339 -6.276 -24.393 1.00 23.34 H new ATOM 0 HD13 ILE A 79 -0.899 -7.309 -24.230 1.00 23.34 H new ATOM 1251 N THR A 80 -3.555 -8.414 -28.702 1.00 21.23 N ATOM 1252 CA THR A 80 -3.934 -9.000 -29.981 1.00 41.12 C ATOM 1253 C THR A 80 -5.168 -8.314 -30.556 1.00 33.33 C ATOM 1254 O THR A 80 -5.199 -7.955 -31.732 1.00 13.02 O ATOM 1255 CB THR A 80 -4.214 -10.509 -29.847 1.00 51.35 C ATOM 1256 OG1 THR A 80 -3.076 -11.170 -29.283 1.00 73.24 O ATOM 1257 CG2 THR A 80 -4.543 -11.120 -31.201 1.00 72.00 C ATOM 0 H THR A 80 -3.506 -9.080 -27.931 1.00 21.23 H new ATOM 0 HA THR A 80 -3.092 -8.853 -30.658 1.00 41.12 H new ATOM 0 HB THR A 80 -5.073 -10.640 -29.189 1.00 51.35 H new ATOM 0 HG1 THR A 80 -3.073 -11.044 -28.311 1.00 73.24 H new ATOM 0 HG21 THR A 80 -4.737 -12.186 -31.082 1.00 72.00 H new ATOM 0 HG22 THR A 80 -5.427 -10.634 -31.614 1.00 72.00 H new ATOM 0 HG23 THR A 80 -3.701 -10.978 -31.878 1.00 72.00 H new ATOM 1265 N ASN A 81 -6.184 -8.135 -29.717 1.00 71.54 N ATOM 1266 CA ASN A 81 -7.422 -7.492 -30.143 1.00 21.12 C ATOM 1267 C ASN A 81 -7.203 -6.003 -30.393 1.00 62.12 C ATOM 1268 O ASN A 81 -7.774 -5.429 -31.320 1.00 2.44 O ATOM 1269 CB ASN A 81 -8.512 -7.688 -29.087 1.00 61.12 C ATOM 1270 CG ASN A 81 -8.823 -6.410 -28.333 1.00 5.15 C ATOM 1271 OD1 ASN A 81 -9.478 -5.510 -28.857 1.00 41.45 O ATOM 1272 ND2 ASN A 81 -8.352 -6.325 -27.094 1.00 24.12 N ATOM 0 H ASN A 81 -6.174 -8.426 -28.739 1.00 71.54 H new ATOM 0 HA ASN A 81 -7.741 -7.956 -31.076 1.00 21.12 H new ATOM 0 HB2 ASN A 81 -9.419 -8.052 -29.569 1.00 61.12 H new ATOM 0 HB3 ASN A 81 -8.196 -8.456 -28.381 1.00 61.12 H new ATOM 0 HD21 ASN A 81 -8.529 -5.489 -26.537 1.00 24.12 H new ATOM 0 HD22 ASN A 81 -7.813 -7.096 -26.699 1.00 24.12 H new ATOM 1279 N ALA A 82 -6.371 -5.385 -29.561 1.00 54.20 N ATOM 1280 CA ALA A 82 -6.074 -3.964 -29.693 1.00 55.15 C ATOM 1281 C ALA A 82 -5.522 -3.645 -31.079 1.00 20.34 C ATOM 1282 O ALA A 82 -6.043 -2.779 -31.782 1.00 10.41 O ATOM 1283 CB ALA A 82 -5.091 -3.528 -28.618 1.00 1.34 C ATOM 0 H ALA A 82 -5.891 -5.846 -28.788 1.00 54.20 H new ATOM 0 HA ALA A 82 -7.004 -3.410 -29.565 1.00 55.15 H new ATOM 0 HB1 ALA A 82 -4.878 -2.465 -28.729 1.00 1.34 H new ATOM 0 HB2 ALA A 82 -5.523 -3.711 -27.634 1.00 1.34 H new ATOM 0 HB3 ALA A 82 -4.166 -4.095 -28.719 1.00 1.34 H new ATOM 1289 N LEU A 83 -4.464 -4.350 -31.465 1.00 32.02 N ATOM 1290 CA LEU A 83 -3.840 -4.142 -32.767 1.00 0.22 C ATOM 1291 C LEU A 83 -4.747 -4.633 -33.890 1.00 61.34 C ATOM 1292 O LEU A 83 -4.766 -4.062 -34.980 1.00 3.10 O ATOM 1293 CB LEU A 83 -2.493 -4.864 -32.830 1.00 72.31 C ATOM 1294 CG LEU A 83 -2.502 -6.338 -32.421 1.00 10.40 C ATOM 1295 CD1 LEU A 83 -2.504 -7.233 -33.650 1.00 42.13 C ATOM 1296 CD2 LEU A 83 -1.307 -6.651 -31.532 1.00 75.40 C ATOM 0 H LEU A 83 -4.021 -5.070 -30.895 1.00 32.02 H new ATOM 0 HA LEU A 83 -3.678 -3.072 -32.898 1.00 0.22 H new ATOM 0 HB2 LEU A 83 -2.112 -4.793 -33.849 1.00 72.31 H new ATOM 0 HB3 LEU A 83 -1.789 -4.334 -32.189 1.00 72.31 H new ATOM 0 HG LEU A 83 -3.412 -6.533 -31.854 1.00 10.40 H new ATOM 0 HD11 LEU A 83 -2.510 -8.278 -33.339 1.00 42.13 H new ATOM 0 HD12 LEU A 83 -3.391 -7.027 -34.249 1.00 42.13 H new ATOM 0 HD13 LEU A 83 -1.612 -7.037 -34.244 1.00 42.13 H new ATOM 0 HD21 LEU A 83 -1.329 -7.704 -31.250 1.00 75.40 H new ATOM 0 HD22 LEU A 83 -0.385 -6.439 -32.074 1.00 75.40 H new ATOM 0 HD23 LEU A 83 -1.350 -6.034 -30.634 1.00 75.40 H new ATOM 1308 N GLU A 84 -5.499 -5.695 -33.616 1.00 3.22 N ATOM 1309 CA GLU A 84 -6.409 -6.262 -34.604 1.00 0.51 C ATOM 1310 C GLU A 84 -7.504 -5.264 -34.970 1.00 42.35 C ATOM 1311 O GLU A 84 -8.029 -5.283 -36.084 1.00 33.42 O ATOM 1312 CB GLU A 84 -7.037 -7.551 -34.071 1.00 63.32 C ATOM 1313 CG GLU A 84 -8.276 -7.986 -34.835 1.00 40.14 C ATOM 1314 CD GLU A 84 -8.761 -9.363 -34.426 1.00 65.22 C ATOM 1315 OE1 GLU A 84 -9.569 -9.451 -33.479 1.00 74.21 O ATOM 1316 OE2 GLU A 84 -8.330 -10.353 -35.054 1.00 73.51 O ATOM 0 H GLU A 84 -5.496 -6.179 -32.718 1.00 3.22 H new ATOM 0 HA GLU A 84 -5.834 -6.490 -35.501 1.00 0.51 H new ATOM 0 HB2 GLU A 84 -6.296 -8.350 -34.112 1.00 63.32 H new ATOM 0 HB3 GLU A 84 -7.298 -7.411 -33.022 1.00 63.32 H new ATOM 0 HG2 GLU A 84 -9.073 -7.261 -34.670 1.00 40.14 H new ATOM 0 HG3 GLU A 84 -8.059 -7.984 -35.903 1.00 40.14 H new ATOM 1323 N TYR A 85 -7.843 -4.393 -34.026 1.00 63.22 N ATOM 1324 CA TYR A 85 -8.877 -3.389 -34.248 1.00 22.45 C ATOM 1325 C TYR A 85 -8.290 -2.134 -34.886 1.00 62.31 C ATOM 1326 O TYR A 85 -8.901 -1.527 -35.764 1.00 72.43 O ATOM 1327 CB TYR A 85 -9.560 -3.031 -32.927 1.00 34.21 C ATOM 1328 CG TYR A 85 -10.412 -1.784 -33.004 1.00 63.15 C ATOM 1329 CD1 TYR A 85 -11.271 -1.571 -34.075 1.00 72.11 C ATOM 1330 CD2 TYR A 85 -10.357 -0.819 -32.006 1.00 72.02 C ATOM 1331 CE1 TYR A 85 -12.050 -0.433 -34.150 1.00 51.22 C ATOM 1332 CE2 TYR A 85 -11.134 0.322 -32.072 1.00 63.33 C ATOM 1333 CZ TYR A 85 -11.978 0.510 -33.146 1.00 51.55 C ATOM 1334 OH TYR A 85 -12.753 1.645 -33.217 1.00 15.10 O ATOM 0 H TYR A 85 -7.417 -4.362 -33.100 1.00 63.22 H new ATOM 0 HA TYR A 85 -9.616 -3.809 -34.930 1.00 22.45 H new ATOM 0 HB2 TYR A 85 -10.183 -3.868 -32.612 1.00 34.21 H new ATOM 0 HB3 TYR A 85 -8.798 -2.894 -32.159 1.00 34.21 H new ATOM 0 HD1 TYR A 85 -11.331 -2.308 -34.862 1.00 72.11 H new ATOM 0 HD2 TYR A 85 -9.696 -0.963 -31.164 1.00 72.02 H new ATOM 0 HE1 TYR A 85 -12.712 -0.282 -34.990 1.00 51.22 H new ATOM 0 HE2 TYR A 85 -11.080 1.062 -31.287 1.00 63.33 H new ATOM 0 HH TYR A 85 -12.585 2.206 -32.431 1.00 15.10 H new ATOM 1344 N ASN A 86 -7.099 -1.752 -34.438 1.00 4.25 N ATOM 1345 CA ASN A 86 -6.427 -0.569 -34.964 1.00 72.12 C ATOM 1346 C ASN A 86 -5.798 -0.861 -36.323 1.00 3.20 C ATOM 1347 O ASN A 86 -5.255 0.033 -36.972 1.00 22.04 O ATOM 1348 CB ASN A 86 -5.354 -0.088 -33.985 1.00 54.23 C ATOM 1349 CG ASN A 86 -5.938 0.338 -32.652 1.00 3.31 C ATOM 1350 OD1 ASN A 86 -7.092 0.760 -32.573 1.00 22.42 O ATOM 1351 ND2 ASN A 86 -5.140 0.231 -31.596 1.00 21.42 N ATOM 0 H ASN A 86 -6.579 -2.244 -33.712 1.00 4.25 H new ATOM 0 HA ASN A 86 -7.172 0.216 -35.089 1.00 72.12 H new ATOM 0 HB2 ASN A 86 -4.630 -0.886 -33.823 1.00 54.23 H new ATOM 0 HB3 ASN A 86 -4.813 0.749 -34.426 1.00 54.23 H new ATOM 0 HD21 ASN A 86 -5.477 0.504 -30.673 1.00 21.42 H new ATOM 0 HD22 ASN A 86 -4.190 -0.124 -31.708 1.00 21.42 H new ATOM 1358 N ALA A 87 -5.875 -2.118 -36.747 1.00 53.13 N ATOM 1359 CA ALA A 87 -5.316 -2.527 -38.030 1.00 22.24 C ATOM 1360 C ALA A 87 -6.097 -1.918 -39.189 1.00 33.41 C ATOM 1361 O ALA A 87 -7.118 -2.459 -39.615 1.00 52.20 O ATOM 1362 CB ALA A 87 -5.302 -4.045 -38.139 1.00 41.30 C ATOM 0 H ALA A 87 -6.319 -2.871 -36.221 1.00 53.13 H new ATOM 0 HA ALA A 87 -4.291 -2.160 -38.086 1.00 22.24 H new ATOM 0 HB1 ALA A 87 -4.882 -4.337 -39.102 1.00 41.30 H new ATOM 0 HB2 ALA A 87 -4.693 -4.462 -37.336 1.00 41.30 H new ATOM 0 HB3 ALA A 87 -6.320 -4.425 -38.057 1.00 41.30 H new ATOM 1368 N LYS A 88 -5.612 -0.790 -39.695 1.00 71.05 N ATOM 1369 CA LYS A 88 -6.264 -0.107 -40.806 1.00 52.14 C ATOM 1370 C LYS A 88 -5.297 0.845 -41.503 1.00 0.01 C ATOM 1371 O LYS A 88 -5.712 1.818 -42.131 1.00 15.14 O ATOM 1372 CB LYS A 88 -7.488 0.666 -40.309 1.00 42.11 C ATOM 1373 CG LYS A 88 -7.166 1.686 -39.231 1.00 2.22 C ATOM 1374 CD LYS A 88 -8.377 2.538 -38.890 1.00 1.41 C ATOM 1375 CE LYS A 88 -9.454 1.722 -38.193 1.00 14.02 C ATOM 1376 NZ LYS A 88 -9.632 2.136 -36.773 1.00 73.43 N ATOM 0 H LYS A 88 -4.769 -0.329 -39.353 1.00 71.05 H new ATOM 0 HA LYS A 88 -6.585 -0.861 -41.525 1.00 52.14 H new ATOM 0 HB2 LYS A 88 -7.953 1.176 -41.153 1.00 42.11 H new ATOM 0 HB3 LYS A 88 -8.221 -0.041 -39.921 1.00 42.11 H new ATOM 0 HG2 LYS A 88 -6.818 1.172 -38.335 1.00 2.22 H new ATOM 0 HG3 LYS A 88 -6.352 2.328 -39.568 1.00 2.22 H new ATOM 0 HD2 LYS A 88 -8.073 3.364 -38.248 1.00 1.41 H new ATOM 0 HD3 LYS A 88 -8.784 2.976 -39.802 1.00 1.41 H new ATOM 0 HE2 LYS A 88 -10.398 1.836 -38.726 1.00 14.02 H new ATOM 0 HE3 LYS A 88 -9.192 0.665 -38.233 1.00 14.02 H new ATOM 0 HZ1 LYS A 88 -10.375 1.556 -36.333 1.00 73.43 H new ATOM 0 HZ2 LYS A 88 -8.738 2.003 -36.258 1.00 73.43 H new ATOM 0 HZ3 LYS A 88 -9.907 3.138 -36.735 1.00 73.43 H new ATOM 1390 N GLY A 89 -4.004 0.556 -41.389 1.00 10.44 N ATOM 1391 CA GLY A 89 -2.999 1.396 -42.014 1.00 25.34 C ATOM 1392 C GLY A 89 -1.969 0.592 -42.783 1.00 72.11 C ATOM 1393 O GLY A 89 -2.186 0.241 -43.943 1.00 1.30 O ATOM 0 H GLY A 89 -3.635 -0.244 -40.875 1.00 10.44 H new ATOM 0 HA2 GLY A 89 -3.486 2.098 -42.690 1.00 25.34 H new ATOM 0 HA3 GLY A 89 -2.496 1.987 -41.248 1.00 25.34 H new ATOM 1397 N SER A 90 -0.845 0.300 -42.137 1.00 43.41 N ATOM 1398 CA SER A 90 0.225 -0.462 -42.770 1.00 72.51 C ATOM 1399 C SER A 90 1.392 -0.663 -41.808 1.00 34.41 C ATOM 1400 O SER A 90 1.590 -1.755 -41.272 1.00 41.53 O ATOM 1401 CB SER A 90 0.709 0.250 -44.035 1.00 34.04 C ATOM 1402 OG SER A 90 2.039 -0.120 -44.351 1.00 4.01 O ATOM 0 H SER A 90 -0.652 0.580 -41.175 1.00 43.41 H new ATOM 0 HA SER A 90 -0.172 -1.440 -43.042 1.00 72.51 H new ATOM 0 HB2 SER A 90 0.052 0.003 -44.869 1.00 34.04 H new ATOM 0 HB3 SER A 90 0.652 1.329 -43.893 1.00 34.04 H new ATOM 0 HG SER A 90 2.324 0.347 -45.164 1.00 4.01 H new ATOM 1408 N THR A 91 2.163 0.398 -41.593 1.00 14.14 N ATOM 1409 CA THR A 91 3.311 0.340 -40.697 1.00 34.23 C ATOM 1410 C THR A 91 2.873 0.088 -39.258 1.00 63.13 C ATOM 1411 O THR A 91 3.535 -0.638 -38.517 1.00 4.14 O ATOM 1412 CB THR A 91 4.132 1.642 -40.751 1.00 23.40 C ATOM 1413 OG1 THR A 91 3.807 2.377 -41.936 1.00 22.01 O ATOM 1414 CG2 THR A 91 5.623 1.342 -40.727 1.00 65.32 C ATOM 0 H THR A 91 2.013 1.309 -42.028 1.00 14.14 H new ATOM 0 HA THR A 91 3.934 -0.488 -41.035 1.00 34.23 H new ATOM 0 HB THR A 91 3.883 2.240 -39.874 1.00 23.40 H new ATOM 0 HG1 THR A 91 4.332 3.204 -41.962 1.00 22.01 H new ATOM 0 HG21 THR A 91 6.183 2.276 -40.766 1.00 65.32 H new ATOM 0 HG22 THR A 91 5.872 0.808 -39.810 1.00 65.32 H new ATOM 0 HG23 THR A 91 5.884 0.726 -41.588 1.00 65.32 H new ATOM 1422 N TRP A 92 1.755 0.691 -38.871 1.00 22.31 N ATOM 1423 CA TRP A 92 1.229 0.530 -37.520 1.00 3.50 C ATOM 1424 C TRP A 92 0.932 -0.935 -37.222 1.00 2.12 C ATOM 1425 O TRP A 92 1.122 -1.400 -36.098 1.00 23.32 O ATOM 1426 CB TRP A 92 -0.039 1.367 -37.342 1.00 5.34 C ATOM 1427 CG TRP A 92 0.099 2.441 -36.305 1.00 4.00 C ATOM 1428 CD1 TRP A 92 -0.773 2.719 -35.292 1.00 30.13 C ATOM 1429 CD2 TRP A 92 1.172 3.381 -36.182 1.00 65.12 C ATOM 1430 NE1 TRP A 92 -0.307 3.775 -34.546 1.00 61.03 N ATOM 1431 CE2 TRP A 92 0.885 4.198 -35.072 1.00 2.44 C ATOM 1432 CE3 TRP A 92 2.349 3.610 -36.901 1.00 12.22 C ATOM 1433 CZ2 TRP A 92 1.731 5.227 -34.666 1.00 65.01 C ATOM 1434 CZ3 TRP A 92 3.187 4.632 -36.497 1.00 65.44 C ATOM 1435 CH2 TRP A 92 2.876 5.429 -35.388 1.00 42.21 C ATOM 0 H TRP A 92 1.195 1.295 -39.473 1.00 22.31 H new ATOM 0 HA TRP A 92 1.987 0.877 -36.818 1.00 3.50 H new ATOM 0 HB2 TRP A 92 -0.301 1.825 -38.296 1.00 5.34 H new ATOM 0 HB3 TRP A 92 -0.864 0.710 -37.067 1.00 5.34 H new ATOM 0 HD1 TRP A 92 -1.694 2.187 -35.104 1.00 30.13 H new ATOM 0 HE1 TRP A 92 -0.773 4.178 -33.733 1.00 61.03 H new ATOM 0 HE3 TRP A 92 2.599 3.000 -37.756 1.00 12.22 H new ATOM 0 HZ2 TRP A 92 1.492 5.843 -33.812 1.00 65.01 H new ATOM 0 HZ3 TRP A 92 4.098 4.819 -37.046 1.00 65.44 H new ATOM 0 HH2 TRP A 92 3.553 6.218 -35.097 1.00 42.21 H new ATOM 1446 N TYR A 93 0.466 -1.657 -38.234 1.00 75.31 N ATOM 1447 CA TYR A 93 0.140 -3.070 -38.079 1.00 21.11 C ATOM 1448 C TYR A 93 1.392 -3.888 -37.777 1.00 4.51 C ATOM 1449 O TYR A 93 1.377 -4.773 -36.922 1.00 72.04 O ATOM 1450 CB TYR A 93 -0.536 -3.601 -39.344 1.00 33.12 C ATOM 1451 CG TYR A 93 -0.905 -5.065 -39.264 1.00 71.31 C ATOM 1452 CD1 TYR A 93 -1.625 -5.563 -38.185 1.00 61.21 C ATOM 1453 CD2 TYR A 93 -0.534 -5.951 -40.269 1.00 12.23 C ATOM 1454 CE1 TYR A 93 -1.963 -6.900 -38.108 1.00 31.30 C ATOM 1455 CE2 TYR A 93 -0.869 -7.289 -40.201 1.00 34.33 C ATOM 1456 CZ TYR A 93 -1.583 -7.759 -39.118 1.00 74.31 C ATOM 1457 OH TYR A 93 -1.920 -9.092 -39.046 1.00 3.43 O ATOM 0 H TYR A 93 0.305 -1.287 -39.171 1.00 75.31 H new ATOM 0 HA TYR A 93 -0.548 -3.168 -37.239 1.00 21.11 H new ATOM 0 HB2 TYR A 93 -1.437 -3.018 -39.537 1.00 33.12 H new ATOM 0 HB3 TYR A 93 0.130 -3.449 -40.193 1.00 33.12 H new ATOM 0 HD1 TYR A 93 -1.926 -4.893 -37.393 1.00 61.21 H new ATOM 0 HD2 TYR A 93 0.026 -5.587 -41.118 1.00 12.23 H new ATOM 0 HE1 TYR A 93 -2.522 -7.271 -37.261 1.00 31.30 H new ATOM 0 HE2 TYR A 93 -0.574 -7.964 -40.991 1.00 34.33 H new ATOM 0 HH TYR A 93 -1.578 -9.559 -39.837 1.00 3.43 H new ATOM 1467 N GLN A 94 2.475 -3.582 -38.485 1.00 22.35 N ATOM 1468 CA GLN A 94 3.737 -4.288 -38.293 1.00 35.32 C ATOM 1469 C GLN A 94 4.345 -3.957 -36.934 1.00 34.11 C ATOM 1470 O GLN A 94 4.932 -4.818 -36.281 1.00 25.24 O ATOM 1471 CB GLN A 94 4.721 -3.928 -39.407 1.00 22.53 C ATOM 1472 CG GLN A 94 5.318 -5.139 -40.105 1.00 64.33 C ATOM 1473 CD GLN A 94 6.457 -4.773 -41.037 1.00 53.12 C ATOM 1474 OE1 GLN A 94 6.259 -4.077 -42.034 1.00 20.23 O ATOM 1475 NE2 GLN A 94 7.658 -5.240 -40.717 1.00 72.34 N ATOM 0 H GLN A 94 2.504 -2.851 -39.196 1.00 22.35 H new ATOM 0 HA GLN A 94 3.535 -5.358 -38.328 1.00 35.32 H new ATOM 0 HB2 GLN A 94 4.211 -3.308 -40.145 1.00 22.53 H new ATOM 0 HB3 GLN A 94 5.527 -3.326 -38.988 1.00 22.53 H new ATOM 0 HG2 GLN A 94 5.679 -5.844 -39.356 1.00 64.33 H new ATOM 0 HG3 GLN A 94 4.538 -5.648 -40.672 1.00 64.33 H new ATOM 0 HE21 GLN A 94 7.776 -5.813 -39.882 1.00 72.34 H new ATOM 0 HE22 GLN A 94 8.462 -5.026 -41.307 1.00 72.34 H new ATOM 1484 N GLU A 95 4.199 -2.704 -36.515 1.00 50.34 N ATOM 1485 CA GLU A 95 4.736 -2.260 -35.234 1.00 54.54 C ATOM 1486 C GLU A 95 4.028 -2.957 -34.077 1.00 33.54 C ATOM 1487 O GLU A 95 4.670 -3.454 -33.151 1.00 53.53 O ATOM 1488 CB GLU A 95 4.592 -0.743 -35.094 1.00 52.44 C ATOM 1489 CG GLU A 95 4.798 -0.240 -33.675 1.00 61.14 C ATOM 1490 CD GLU A 95 3.525 -0.276 -32.853 1.00 33.22 C ATOM 1491 OE1 GLU A 95 2.665 0.607 -33.053 1.00 13.10 O ATOM 1492 OE2 GLU A 95 3.388 -1.187 -32.009 1.00 41.24 O ATOM 0 H GLU A 95 3.714 -1.979 -37.043 1.00 50.34 H new ATOM 0 HA GLU A 95 5.793 -2.522 -35.202 1.00 54.54 H new ATOM 0 HB2 GLU A 95 5.312 -0.256 -35.751 1.00 52.44 H new ATOM 0 HB3 GLU A 95 3.600 -0.448 -35.435 1.00 52.44 H new ATOM 0 HG2 GLU A 95 5.560 -0.847 -33.185 1.00 61.14 H new ATOM 0 HG3 GLU A 95 5.177 0.782 -33.707 1.00 61.14 H new ATOM 1499 N ALA A 96 2.700 -2.991 -34.136 1.00 5.30 N ATOM 1500 CA ALA A 96 1.905 -3.628 -33.094 1.00 70.43 C ATOM 1501 C ALA A 96 2.107 -5.140 -33.097 1.00 3.12 C ATOM 1502 O ALA A 96 2.136 -5.773 -32.042 1.00 71.31 O ATOM 1503 CB ALA A 96 0.432 -3.291 -33.274 1.00 3.11 C ATOM 0 H ALA A 96 2.153 -2.585 -34.895 1.00 5.30 H new ATOM 0 HA ALA A 96 2.240 -3.244 -32.130 1.00 70.43 H new ATOM 0 HB1 ALA A 96 -0.150 -3.773 -32.489 1.00 3.11 H new ATOM 0 HB2 ALA A 96 0.296 -2.211 -33.215 1.00 3.11 H new ATOM 0 HB3 ALA A 96 0.094 -3.647 -34.247 1.00 3.11 H new ATOM 1509 N MET A 97 2.247 -5.712 -34.288 1.00 54.45 N ATOM 1510 CA MET A 97 2.447 -7.149 -34.427 1.00 72.41 C ATOM 1511 C MET A 97 3.845 -7.550 -33.968 1.00 63.34 C ATOM 1512 O MET A 97 4.017 -8.547 -33.266 1.00 14.50 O ATOM 1513 CB MET A 97 2.231 -7.578 -35.880 1.00 24.23 C ATOM 1514 CG MET A 97 1.886 -9.050 -36.034 1.00 34.41 C ATOM 1515 SD MET A 97 3.057 -9.933 -37.083 1.00 54.23 S ATOM 1516 CE MET A 97 2.021 -11.253 -37.711 1.00 1.42 C ATOM 0 H MET A 97 2.226 -5.202 -35.171 1.00 54.45 H new ATOM 0 HA MET A 97 1.717 -7.655 -33.795 1.00 72.41 H new ATOM 0 HB2 MET A 97 1.430 -6.978 -36.312 1.00 24.23 H new ATOM 0 HB3 MET A 97 3.134 -7.363 -36.452 1.00 24.23 H new ATOM 0 HG2 MET A 97 1.861 -9.518 -35.050 1.00 34.41 H new ATOM 0 HG3 MET A 97 0.885 -9.142 -36.456 1.00 34.41 H new ATOM 0 HE1 MET A 97 2.605 -11.888 -38.378 1.00 1.42 H new ATOM 0 HE2 MET A 97 1.646 -11.849 -36.879 1.00 1.42 H new ATOM 0 HE3 MET A 97 1.181 -10.827 -38.259 1.00 1.42 H new ATOM 1526 N SER A 98 4.842 -6.768 -34.371 1.00 21.35 N ATOM 1527 CA SER A 98 6.226 -7.045 -34.004 1.00 1.41 C ATOM 1528 C SER A 98 6.426 -6.910 -32.497 1.00 44.25 C ATOM 1529 O SER A 98 7.105 -7.726 -31.874 1.00 63.23 O ATOM 1530 CB SER A 98 7.171 -6.095 -34.742 1.00 50.44 C ATOM 1531 OG SER A 98 7.346 -6.495 -36.090 1.00 60.34 O ATOM 0 H SER A 98 4.717 -5.938 -34.951 1.00 21.35 H new ATOM 0 HA SER A 98 6.454 -8.071 -34.293 1.00 1.41 H new ATOM 0 HB2 SER A 98 6.771 -5.081 -34.709 1.00 50.44 H new ATOM 0 HB3 SER A 98 8.137 -6.073 -34.237 1.00 50.44 H new ATOM 0 HG SER A 98 6.627 -6.118 -36.639 1.00 60.34 H new ATOM 1537 N PHE A 99 5.830 -5.873 -31.918 1.00 42.02 N ATOM 1538 CA PHE A 99 5.943 -5.629 -30.485 1.00 30.11 C ATOM 1539 C PHE A 99 5.186 -6.690 -29.691 1.00 70.14 C ATOM 1540 O PHE A 99 5.688 -7.212 -28.696 1.00 3.11 O ATOM 1541 CB PHE A 99 5.407 -4.238 -30.139 1.00 71.40 C ATOM 1542 CG PHE A 99 6.473 -3.182 -30.082 1.00 41.01 C ATOM 1543 CD1 PHE A 99 7.581 -3.341 -29.266 1.00 3.23 C ATOM 1544 CD2 PHE A 99 6.368 -2.031 -30.845 1.00 55.55 C ATOM 1545 CE1 PHE A 99 8.563 -2.370 -29.211 1.00 44.10 C ATOM 1546 CE2 PHE A 99 7.347 -1.056 -30.795 1.00 73.32 C ATOM 1547 CZ PHE A 99 8.447 -1.227 -29.978 1.00 14.24 C ATOM 0 H PHE A 99 5.264 -5.188 -32.419 1.00 42.02 H new ATOM 0 HA PHE A 99 6.998 -5.682 -30.215 1.00 30.11 H new ATOM 0 HB2 PHE A 99 4.661 -3.950 -30.880 1.00 71.40 H new ATOM 0 HB3 PHE A 99 4.899 -4.282 -29.176 1.00 71.40 H new ATOM 0 HD1 PHE A 99 7.679 -4.234 -28.666 1.00 3.23 H new ATOM 0 HD2 PHE A 99 5.511 -1.893 -31.487 1.00 55.55 H new ATOM 0 HE1 PHE A 99 9.421 -2.505 -28.569 1.00 44.10 H new ATOM 0 HE2 PHE A 99 7.252 -0.162 -31.394 1.00 73.32 H new ATOM 0 HZ PHE A 99 9.215 -0.469 -29.939 1.00 14.24 H new ATOM 1557 N ARG A 100 3.975 -7.003 -30.140 1.00 32.53 N ATOM 1558 CA ARG A 100 3.147 -8.000 -29.471 1.00 61.44 C ATOM 1559 C ARG A 100 3.871 -9.341 -29.389 1.00 73.34 C ATOM 1560 O ARG A 100 3.581 -10.164 -28.521 1.00 15.15 O ATOM 1561 CB ARG A 100 1.819 -8.170 -30.211 1.00 34.02 C ATOM 1562 CG ARG A 100 0.967 -9.311 -29.678 1.00 54.44 C ATOM 1563 CD ARG A 100 -0.237 -9.570 -30.571 1.00 31.33 C ATOM 1564 NE ARG A 100 -0.345 -10.977 -30.949 1.00 44.31 N ATOM 1565 CZ ARG A 100 -1.038 -11.404 -31.998 1.00 63.55 C ATOM 1566 NH1 ARG A 100 -1.681 -10.539 -32.770 1.00 3.10 N ATOM 1567 NH2 ARG A 100 -1.088 -12.701 -32.278 1.00 40.43 N ATOM 0 H ARG A 100 3.545 -6.581 -30.963 1.00 32.53 H new ATOM 0 HA ARG A 100 2.949 -7.651 -28.458 1.00 61.44 H new ATOM 0 HB2 ARG A 100 1.252 -7.241 -30.141 1.00 34.02 H new ATOM 0 HB3 ARG A 100 2.021 -8.342 -31.268 1.00 34.02 H new ATOM 0 HG2 ARG A 100 1.571 -10.216 -29.608 1.00 54.44 H new ATOM 0 HG3 ARG A 100 0.629 -9.074 -28.669 1.00 54.44 H new ATOM 0 HD2 ARG A 100 -1.145 -9.263 -30.053 1.00 31.33 H new ATOM 0 HD3 ARG A 100 -0.160 -8.958 -31.470 1.00 31.33 H new ATOM 0 HE ARG A 100 0.138 -11.669 -30.376 1.00 44.31 H new ATOM 0 HH11 ARG A 100 -1.644 -9.542 -32.559 1.00 3.10 H new ATOM 0 HH12 ARG A 100 -2.212 -10.871 -33.575 1.00 3.10 H new ATOM 0 HH21 ARG A 100 -0.594 -13.370 -31.687 1.00 40.43 H new ATOM 0 HH22 ARG A 100 -1.621 -13.029 -33.084 1.00 40.43 H new ATOM 1581 N LYS A 101 4.814 -9.555 -30.300 1.00 60.34 N ATOM 1582 CA LYS A 101 5.581 -10.795 -30.332 1.00 74.21 C ATOM 1583 C LYS A 101 6.579 -10.848 -29.180 1.00 14.52 C ATOM 1584 O LYS A 101 7.036 -11.922 -28.788 1.00 52.03 O ATOM 1585 CB LYS A 101 6.318 -10.929 -31.666 1.00 43.22 C ATOM 1586 CG LYS A 101 7.326 -12.065 -31.693 1.00 30.01 C ATOM 1587 CD LYS A 101 8.714 -11.589 -31.299 1.00 41.42 C ATOM 1588 CE LYS A 101 9.712 -11.782 -32.431 1.00 33.41 C ATOM 1589 NZ LYS A 101 10.522 -13.019 -32.251 1.00 35.02 N ATOM 0 H LYS A 101 5.066 -8.885 -31.027 1.00 60.34 H new ATOM 0 HA LYS A 101 4.884 -11.626 -30.224 1.00 74.21 H new ATOM 0 HB2 LYS A 101 5.588 -11.083 -32.461 1.00 43.22 H new ATOM 0 HB3 LYS A 101 6.832 -9.993 -31.883 1.00 43.22 H new ATOM 0 HG2 LYS A 101 7.004 -12.854 -31.013 1.00 30.01 H new ATOM 0 HG3 LYS A 101 7.359 -12.499 -32.692 1.00 30.01 H new ATOM 0 HD2 LYS A 101 8.674 -10.535 -31.024 1.00 41.42 H new ATOM 0 HD3 LYS A 101 9.051 -12.136 -30.418 1.00 41.42 H new ATOM 0 HE2 LYS A 101 9.179 -11.832 -33.381 1.00 33.41 H new ATOM 0 HE3 LYS A 101 10.375 -10.918 -32.482 1.00 33.41 H new ATOM 0 HZ1 LYS A 101 11.190 -13.115 -33.042 1.00 35.02 H new ATOM 0 HZ2 LYS A 101 11.050 -12.961 -31.357 1.00 35.02 H new ATOM 0 HZ3 LYS A 101 9.892 -13.846 -32.228 1.00 35.02 H new ATOM 1603 N THR A 102 6.912 -9.680 -28.638 1.00 63.12 N ATOM 1604 CA THR A 102 7.856 -9.593 -27.531 1.00 35.14 C ATOM 1605 C THR A 102 7.163 -9.132 -26.253 1.00 52.05 C ATOM 1606 O THR A 102 7.730 -9.214 -25.164 1.00 31.33 O ATOM 1607 CB THR A 102 9.011 -8.627 -27.852 1.00 5.13 C ATOM 1608 OG1 THR A 102 9.968 -8.636 -26.786 1.00 60.31 O ATOM 1609 CG2 THR A 102 8.492 -7.213 -28.061 1.00 42.44 C ATOM 0 H THR A 102 6.542 -8.782 -28.948 1.00 63.12 H new ATOM 0 HA THR A 102 8.261 -10.594 -27.381 1.00 35.14 H new ATOM 0 HB THR A 102 9.489 -8.961 -28.773 1.00 5.13 H new ATOM 0 HG1 THR A 102 9.531 -8.921 -25.956 1.00 60.31 H new ATOM 0 HG21 THR A 102 9.326 -6.549 -28.286 1.00 42.44 H new ATOM 0 HG22 THR A 102 7.786 -7.204 -28.891 1.00 42.44 H new ATOM 0 HG23 THR A 102 7.991 -6.872 -27.155 1.00 42.44 H new ATOM 1617 N TYR A 103 5.934 -8.647 -26.394 1.00 61.45 N ATOM 1618 CA TYR A 103 5.164 -8.171 -25.251 1.00 63.43 C ATOM 1619 C TYR A 103 4.805 -9.324 -24.318 1.00 41.14 C ATOM 1620 O TYR A 103 5.099 -9.286 -23.123 1.00 4.31 O ATOM 1621 CB TYR A 103 3.891 -7.468 -25.724 1.00 43.34 C ATOM 1622 CG TYR A 103 4.077 -5.990 -25.983 1.00 40.35 C ATOM 1623 CD1 TYR A 103 5.300 -5.488 -26.410 1.00 44.33 C ATOM 1624 CD2 TYR A 103 3.030 -5.095 -25.801 1.00 31.13 C ATOM 1625 CE1 TYR A 103 5.475 -4.138 -26.648 1.00 22.03 C ATOM 1626 CE2 TYR A 103 3.195 -3.744 -26.037 1.00 61.10 C ATOM 1627 CZ TYR A 103 4.419 -3.270 -26.460 1.00 64.41 C ATOM 1628 OH TYR A 103 4.588 -1.925 -26.695 1.00 64.22 O ATOM 0 H TYR A 103 5.450 -8.573 -27.289 1.00 61.45 H new ATOM 0 HA TYR A 103 5.780 -7.460 -24.701 1.00 63.43 H new ATOM 0 HB2 TYR A 103 3.539 -7.947 -26.638 1.00 43.34 H new ATOM 0 HB3 TYR A 103 3.112 -7.602 -24.974 1.00 43.34 H new ATOM 0 HD1 TYR A 103 6.129 -6.165 -26.559 1.00 44.33 H new ATOM 0 HD2 TYR A 103 2.070 -5.462 -25.469 1.00 31.13 H new ATOM 0 HE1 TYR A 103 6.433 -3.765 -26.979 1.00 22.03 H new ATOM 0 HE2 TYR A 103 2.370 -3.063 -25.891 1.00 61.10 H new ATOM 0 HH TYR A 103 4.279 -1.416 -25.917 1.00 64.22 H new ATOM 1638 N LEU A 104 4.168 -10.349 -24.873 1.00 55.45 N ATOM 1639 CA LEU A 104 3.768 -11.514 -24.093 1.00 34.41 C ATOM 1640 C LEU A 104 4.982 -12.352 -23.705 1.00 34.42 C ATOM 1641 O LEU A 104 5.025 -12.935 -22.621 1.00 44.11 O ATOM 1642 CB LEU A 104 2.777 -12.368 -24.886 1.00 73.20 C ATOM 1643 CG LEU A 104 3.305 -12.977 -26.185 1.00 61.13 C ATOM 1644 CD1 LEU A 104 3.353 -14.494 -26.083 1.00 41.33 C ATOM 1645 CD2 LEU A 104 2.445 -12.547 -27.364 1.00 53.04 C ATOM 0 H LEU A 104 3.917 -10.397 -25.861 1.00 55.45 H new ATOM 0 HA LEU A 104 3.286 -11.162 -23.181 1.00 34.41 H new ATOM 0 HB2 LEU A 104 2.430 -13.177 -24.243 1.00 73.20 H new ATOM 0 HB3 LEU A 104 1.908 -11.754 -25.123 1.00 73.20 H new ATOM 0 HG LEU A 104 4.319 -12.612 -26.349 1.00 61.13 H new ATOM 0 HD11 LEU A 104 3.731 -14.910 -27.017 1.00 41.33 H new ATOM 0 HD12 LEU A 104 4.012 -14.783 -25.264 1.00 41.33 H new ATOM 0 HD13 LEU A 104 2.350 -14.878 -25.895 1.00 41.33 H new ATOM 0 HD21 LEU A 104 2.836 -12.990 -28.280 1.00 53.04 H new ATOM 0 HD22 LEU A 104 1.420 -12.882 -27.208 1.00 53.04 H new ATOM 0 HD23 LEU A 104 2.463 -11.461 -27.450 1.00 53.04 H new ATOM 1657 N ASP A 105 5.966 -12.407 -24.596 1.00 14.34 N ATOM 1658 CA ASP A 105 7.182 -13.171 -24.345 1.00 43.42 C ATOM 1659 C ASP A 105 7.919 -12.634 -23.122 1.00 10.30 C ATOM 1660 O ASP A 105 8.310 -13.395 -22.236 1.00 15.45 O ATOM 1661 CB ASP A 105 8.099 -13.126 -25.569 1.00 1.44 C ATOM 1662 CG ASP A 105 7.694 -14.126 -26.633 1.00 55.11 C ATOM 1663 OD1 ASP A 105 6.786 -14.941 -26.366 1.00 1.21 O ATOM 1664 OD2 ASP A 105 8.284 -14.094 -27.733 1.00 62.33 O ATOM 0 H ASP A 105 5.945 -11.932 -25.498 1.00 14.34 H new ATOM 0 HA ASP A 105 6.898 -14.205 -24.150 1.00 43.42 H new ATOM 0 HB2 ASP A 105 8.084 -12.122 -25.994 1.00 1.44 H new ATOM 0 HB3 ASP A 105 9.125 -13.326 -25.258 1.00 1.44 H new ATOM 1669 N LEU A 106 8.107 -11.319 -23.081 1.00 34.23 N ATOM 1670 CA LEU A 106 8.798 -10.680 -21.966 1.00 53.44 C ATOM 1671 C LEU A 106 8.041 -10.896 -20.660 1.00 30.21 C ATOM 1672 O LEU A 106 8.607 -10.769 -19.575 1.00 2.13 O ATOM 1673 CB LEU A 106 8.960 -9.182 -22.233 1.00 74.11 C ATOM 1674 CG LEU A 106 9.483 -8.345 -21.065 1.00 60.23 C ATOM 1675 CD1 LEU A 106 10.448 -7.280 -21.562 1.00 65.42 C ATOM 1676 CD2 LEU A 106 8.328 -7.708 -20.306 1.00 23.21 C ATOM 0 H LEU A 106 7.791 -10.675 -23.806 1.00 34.23 H new ATOM 0 HA LEU A 106 9.784 -11.136 -21.872 1.00 53.44 H new ATOM 0 HB2 LEU A 106 9.638 -9.055 -23.077 1.00 74.11 H new ATOM 0 HB3 LEU A 106 7.993 -8.781 -22.537 1.00 74.11 H new ATOM 0 HG LEU A 106 10.021 -9.004 -20.383 1.00 60.23 H new ATOM 0 HD11 LEU A 106 10.810 -6.694 -20.717 1.00 65.42 H new ATOM 0 HD12 LEU A 106 11.292 -7.757 -22.060 1.00 65.42 H new ATOM 0 HD13 LEU A 106 9.935 -6.624 -22.265 1.00 65.42 H new ATOM 0 HD21 LEU A 106 8.719 -7.116 -19.478 1.00 23.21 H new ATOM 0 HD22 LEU A 106 7.763 -7.063 -20.978 1.00 23.21 H new ATOM 0 HD23 LEU A 106 7.674 -8.488 -19.917 1.00 23.21 H new ATOM 1688 N ALA A 107 6.759 -11.226 -20.772 1.00 75.15 N ATOM 1689 CA ALA A 107 5.925 -11.465 -19.601 1.00 4.25 C ATOM 1690 C ALA A 107 5.641 -12.952 -19.423 1.00 21.42 C ATOM 1691 O ALA A 107 4.657 -13.335 -18.789 1.00 4.52 O ATOM 1692 CB ALA A 107 4.623 -10.686 -19.711 1.00 71.15 C ATOM 0 H ALA A 107 6.275 -11.334 -21.663 1.00 75.15 H new ATOM 0 HA ALA A 107 6.469 -11.118 -18.722 1.00 4.25 H new ATOM 0 HB1 ALA A 107 4.011 -10.875 -18.829 1.00 71.15 H new ATOM 0 HB2 ALA A 107 4.841 -9.620 -19.780 1.00 71.15 H new ATOM 0 HB3 ALA A 107 4.083 -11.004 -20.603 1.00 71.15 H new ATOM 1698 N ARG A 108 6.508 -13.787 -19.987 1.00 33.21 N ATOM 1699 CA ARG A 108 6.348 -15.233 -19.892 1.00 60.31 C ATOM 1700 C ARG A 108 7.594 -15.880 -19.294 1.00 1.31 C ATOM 1701 O ARG A 108 7.506 -16.658 -18.345 1.00 74.41 O ATOM 1702 CB ARG A 108 6.065 -15.828 -21.273 1.00 34.13 C ATOM 1703 CG ARG A 108 4.807 -16.681 -21.322 1.00 43.20 C ATOM 1704 CD ARG A 108 4.946 -17.927 -20.462 1.00 74.53 C ATOM 1705 NE ARG A 108 3.692 -18.277 -19.800 1.00 72.51 N ATOM 1706 CZ ARG A 108 3.423 -19.490 -19.329 1.00 61.11 C ATOM 1707 NH1 ARG A 108 4.316 -20.463 -19.446 1.00 72.45 N ATOM 1708 NH2 ARG A 108 2.259 -19.731 -18.739 1.00 24.03 N ATOM 0 H ARG A 108 7.328 -13.487 -20.514 1.00 33.21 H new ATOM 0 HA ARG A 108 5.502 -15.437 -19.235 1.00 60.31 H new ATOM 0 HB2 ARG A 108 5.973 -15.018 -21.997 1.00 34.13 H new ATOM 0 HB3 ARG A 108 6.917 -16.434 -21.580 1.00 34.13 H new ATOM 0 HG2 ARG A 108 3.955 -16.094 -20.980 1.00 43.20 H new ATOM 0 HG3 ARG A 108 4.602 -16.970 -22.353 1.00 43.20 H new ATOM 0 HD2 ARG A 108 5.274 -18.761 -21.082 1.00 74.53 H new ATOM 0 HD3 ARG A 108 5.719 -17.765 -19.711 1.00 74.53 H new ATOM 0 HE ARG A 108 2.984 -17.551 -19.693 1.00 72.51 H new ATOM 0 HH11 ARG A 108 5.212 -20.281 -19.898 1.00 72.45 H new ATOM 0 HH12 ARG A 108 4.107 -21.393 -19.084 1.00 72.45 H new ATOM 0 HH21 ARG A 108 1.570 -18.985 -18.647 1.00 24.03 H new ATOM 0 HH22 ARG A 108 2.054 -20.663 -18.378 1.00 24.03 H new ATOM 1722 N GLN A 109 8.753 -15.551 -19.856 1.00 72.21 N ATOM 1723 CA GLN A 109 10.016 -16.101 -19.379 1.00 20.04 C ATOM 1724 C GLN A 109 10.388 -15.512 -18.022 1.00 33.43 C ATOM 1725 O GLN A 109 10.970 -16.193 -17.177 1.00 72.12 O ATOM 1726 CB GLN A 109 11.131 -15.826 -20.390 1.00 34.34 C ATOM 1727 CG GLN A 109 12.523 -16.126 -19.857 1.00 15.01 C ATOM 1728 CD GLN A 109 13.612 -15.821 -20.866 1.00 72.23 C ATOM 1729 OE1 GLN A 109 13.353 -15.727 -22.067 1.00 2.15 O ATOM 1730 NE2 GLN A 109 14.839 -15.665 -20.384 1.00 62.12 N ATOM 0 H GLN A 109 8.843 -14.907 -20.642 1.00 72.21 H new ATOM 0 HA GLN A 109 9.895 -17.178 -19.267 1.00 20.04 H new ATOM 0 HB2 GLN A 109 10.956 -16.425 -21.283 1.00 34.34 H new ATOM 0 HB3 GLN A 109 11.085 -14.780 -20.694 1.00 34.34 H new ATOM 0 HG2 GLN A 109 12.696 -15.541 -18.954 1.00 15.01 H new ATOM 0 HG3 GLN A 109 12.580 -17.177 -19.572 1.00 15.01 H new ATOM 0 HE21 GLN A 109 15.008 -15.752 -19.382 1.00 62.12 H new ATOM 0 HE22 GLN A 109 15.613 -15.459 -21.016 1.00 62.12 H new ATOM 1739 N SER A 110 10.048 -14.243 -17.819 1.00 72.44 N ATOM 1740 CA SER A 110 10.350 -13.562 -16.566 1.00 54.42 C ATOM 1741 C SER A 110 9.106 -13.462 -15.688 1.00 73.45 C ATOM 1742 O SER A 110 9.197 -13.195 -14.491 1.00 53.42 O ATOM 1743 CB SER A 110 10.905 -12.163 -16.843 1.00 23.31 C ATOM 1744 OG SER A 110 12.305 -12.119 -16.627 1.00 1.12 O ATOM 0 H SER A 110 9.563 -13.666 -18.506 1.00 72.44 H new ATOM 0 HA SER A 110 11.102 -14.146 -16.036 1.00 54.42 H new ATOM 0 HB2 SER A 110 10.683 -11.877 -17.871 1.00 23.31 H new ATOM 0 HB3 SER A 110 10.411 -11.438 -16.197 1.00 23.31 H new ATOM 0 HG SER A 110 12.636 -11.215 -16.812 1.00 1.12 H new ATOM 1750 N GLY A 111 7.942 -13.681 -16.294 1.00 43.44 N ATOM 1751 CA GLY A 111 6.696 -13.611 -15.554 1.00 70.43 C ATOM 1752 C GLY A 111 6.021 -14.963 -15.427 1.00 43.22 C ATOM 1753 O GLY A 111 5.125 -15.292 -16.204 1.00 13.32 O ATOM 0 H GLY A 111 7.841 -13.905 -17.284 1.00 43.44 H new ATOM 0 HA2 GLY A 111 6.890 -13.210 -14.559 1.00 70.43 H new ATOM 0 HA3 GLY A 111 6.020 -12.916 -16.052 1.00 70.43 H new TER 1757 GLY A 111